A0A087XRF5_POEFO Loading...

Nardilysin b (N-arginine dibasic convertase)

AlphaFold DB , UniProt , Accession A0A087XRF5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,091 aa.

						>A0A087XRF5_POEFO|A0A087XRF5
MPQTKKSVSGTSGPSQPGDPEPGDPEPPHPQEVRLGGGGRGGLEPEQGDPDIAKSPSDPKKYRFLELGNGLRVLLISDLSRANENEEGQQEESEGGEEEEDDEDEDDDEEGESSASSDEEEEESDEEEEPELMEVDEEDRTKKKSSEKQAAAALCVGVGSFSDPDDLPGLAHFLEHMVFMGSEKFPAENDFDAFLKRHGGSDNASTDCERTVFQFDVQRKFFREALDRWAQFFICPLMVQDAVDREVEAVDSEYQLARPSDSHRKEMLFGSLARPGHPMTKFCWGNAQTLKHGPREKRINTYKRLREFWRRNYSAHYMTLAVQSRESLETLEEWVREIFIQIPNNGKPQPDFSHLQQPFDTPAFHKLYRVVPVRKVHALTISWALPPQVKHYRVKPLHYISWLMGHEGTGSILSLLRKRCWALALYGGNSESGFDQNSTYSIFSISVTLTDLGYQNFFQVVHLVFQYLKMLQNLGPQQRIYEEIQKIEDNEFRYQEQTDPIEFVENICENMQLFPKPDLLTGDQLMFHYDPEVIGTALSLLTPLRANLLLLAPENEGSCPLQEKWFGTSYSCDDIPEEWERRWESDFELNPDLHLPAENRFIATDFNLKKSDCPDSEFPVRILALEQGALWYKKDNKFKIPKAYIRFHLISPIIQESPDNLVLFDLFINILAHNLAEPAYEADVAQLEYKLMAGEHGMVIRLKGFNHKLPLLLKLIVDQLADFSTEPSVFGMFAEQLKKTYFNILIKHDRLGRDVRLLILEHHRWSVVQKYRVLTQGLQVQQLMAFAAALKEELYAEGLVQGNFTSAESIEFLQYFTDKLQFRPPPAEVPVQFRVVDLPRRHHLCRVKSLNRGDPNSEVTVYYQSGLKTLREHALMELMVMLMEEPCFDFLRTKEMLGYQVYPTFRNTSGVLGFSVTVETQATKFSSELVEQKIEDFLVSFGGRLASLSEECFAAQVTALIKLKECEDAHLGEEVDRNWYEVATQQYLFDRLSREVEVLKDFSREQLVSWFLHHHGNCSRKLSVHVVGFGVEENDPPHQNLSGSAPSSYGPVSELTFLPAAAPALRSATLITDIRAFTSSLPLHPYYKILS
					

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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	22	Very low	24.3	Very low	241 Å²	241	146.6 Å²	146.6	100%	1.187	83%	0.829	S	S	*	*				0	152.9	0	-74.2	-171.1	-174.3	0	0	109.2
2	P	33.1	Very low	24.4	Very low	109 Å²	109	144.2 Å²	144.2	71%	0.708	83%	0.829	S	S	*	*			cis	-135.2	-172.3	-27.6	35.4	-16.2	0	0	0	113.5
3	Q	24	Very low	24.2	Very low	175 Å²	175	138.5 Å²	138.5	82%	0.818	82%	0.82	S	S	*	*			trans	91.7	112.6	168.2	-52.6	-175	11.3	0	0	116
4	T	23.7	Very low	25.2	Very low	118 Å²	118	137.2 Å²	137.2	72%	0.724	82%	0.818	S	S	*	*			cis	99.5	121.2	28.7	67.3	0	0	0	0	116.4
5	K	24.3	Very low	25.4	Very low	195 Å²	195	136.4 Å²	136.4	85%	0.848	82%	0.822	S	S	*	*			trans	85.8	110.6	144.1	-72.5	171.7	178.9	179.7	0	122.5
6	K	24.1	Very low	25.4	Very low	201 Å²	201	139.3 Å²	139.3	87%	0.874	82%	0.824	S	S	*	*				22	125.3	122	-68	-175.3	173.9	-177.2	0	121.4
7	S	23.8	Very low	26.3	Very low	114 Å²	114	138.3 Å²	138.3	80%	0.797	82%	0.822	S	S	*	*				-173	137.2	129.6	44.5	0	0	0	0	107.9
8	V	23.8	Very low	26.3	Very low	129 Å²	129	134.7 Å²	134.7	78%	0.782	82%	0.819	S	S	*	*			cis	97	109.9	35.6	174.4	0	0	0	0	114
9	S	23.2	Very low	26.4	Very low	123 Å²	123	135.6 Å²	135.6	86%	0.86	82%	0.818	S	S	*	*			trans	62.3	149.5	162.5	66.9	0	0	0	0	119.4
10	G	22.7	Very low	27.2	Very low	60 Å²	60	135.2 Å²	135.2	62%	0.619	82%	0.818	S	S	*	*			cis	163.9	168	-5.5	0	0	0	0	0	112.6
11	T	23	Very low	27.3	Very low	148 Å²	148	136.6 Å²	136.6	91%	0.908	82%	0.816	S	S	*	*			trans	62.3	135	168.9	58.1	0	0	0	0	117.5
12	S	25.3	Very low	28.4	Very low	117 Å²	117	131.2 Å²	131.2	82%	0.818	80%	0.799	S	S	*	*			cis	-172.1	155.2	39.9	47.7	0	0	0	0	111.5
13	G	22.1	Very low	28	Very low	70 Å²	70	129.2 Å²	129.2	72%	0.722	80%	0.799	S	S	*	*			trans	-85	-147	173.8	0	0	0	0	0	114.1
14	P	37.9	Very low	28.4	Very low	121 Å²	121	128 Å²	128	79%	0.786	80%	0.798	S	S	*	*			cis	-137.5	177.3	-2	43.1	-26.7	0	0	0	115.4
15	S	27.4	Very low	29.1	Very low	125 Å²	125	128.3 Å²	128.3	87%	0.874	80%	0.802	S	S	*	*			trans	173.3	137.6	130	38.7	0	0	0	0	114.4
16	Q	26.3	Very low	29.3	Very low	183 Å²	183	127.3 Å²	127.3	86%	0.855	80%	0.8	S	S	*	*			trans	-116	-173.8	173	-119	-177	-1.2	0	0	108
17	P	41.2	Very low	30.3	Very low	122 Å²	122	122.9 Å²	122.9	79%	0.792	79%	0.792	S	S	*	*			cis	-147.1	-174.4	29.8	42.2	-20.4	0	0	0	117.6
18	G	26	Very low	30.8	Very low	74 Å²	74	123.1 Å²	123.1	76%	0.763	79%	0.791	S	S	*	*			trans	170.8	65.7	168.4	0	0	0	0	0	118.4
19	D	28.1	Very low	30.9	Very low	152 Å²	152	125.5 Å²	125.5	81%	0.813	79%	0.793	S	S	*	*			trans	-81.8	177.4	173.8	-83.4	-39.8	0	0	0	113.2
20	P	42.7	Very low	31.7	Very low	126 Å²	126	124.7 Å²	124.7	82%	0.818	78%	0.784	S	S	*	*			cis	-147.2	176.4	25.7	43.5	-22	0	0	0	121
21	E	29.6	Very low	31.8	Very low	165 Å²	165	129.5 Å²	129.5	77%	0.771	79%	0.791	S	S	*	*			trans	-89.2	-176.6	177	-149.3	-170.5	-108.9	0	0	112.8
22	P	44.9	Very low	31.8	Very low	128 Å²	128	130.6 Å²	130.6	83%	0.831	79%	0.786	S	S	*	*				-157.7	159.8	81.2	40.4	-20.3	0	0	0	119
23	G	25.1	Very low	32.2	Very low	68 Å²	68	131.8 Å²	131.8	70%	0.701	79%	0.788	S	S	*	*			trans	143	108.9	135.1	0	0	0	0	0	119.4
24	D	31.3	Very low	32.3	Very low	150 Å²	150	139.2 Å²	139.2	80%	0.802	79%	0.794	S	S	*	*			trans	-138.9	164.2	176.3	-137.5	-0.9	0	0	0	110.5
25	P	39.1	Very low	32.1	Very low	124 Å²	124	141.4 Å²	141.4	81%	0.805	80%	0.798	S	S	*	*				-155.7	151.5	106.8	37.8	-18.1	0	0	0	120
26	E	28	Very low	32	Very low	174 Å²	174	139.4 Å²	139.4	81%	0.813	80%	0.798	S	S	*	*			trans	-54.9	-172.5	161.1	-93.7	-170.6	162.6	0	0	117.6
27	P	44.4	Very low	32	Very low	107 Å²	107	134.4 Å²	134.4	70%	0.695	80%	0.795	S	S	*	*			cis	-127.1	-151.3	-0.6	28	-1.5	0	0	0	111.3
28	P	35.4	Very low	31.4	Very low	119 Å²	119	132.6 Å²	132.6	77%	0.773	80%	0.798	S	S	*	*			cis	-139.6	-178.1	-4	45.5	-26.9	0	0	0	118.3
29	H	25.4	Very low	31.5	Very low	180 Å²	180	132.9 Å²	132.9	83%	0.833	80%	0.801	S	S	*	*			trans	-84.7	172.9	161.9	-96.3	-50.4	0	0	0	112.4
30	P	39.3	Very low	31.9	Very low	105 Å²	105	137.3 Å²	137.3	68%	0.682	81%	0.807	S	S	*	*			cis	-147.5	-173.2	28.6	44.6	-24	0	0	0	119.2
31	Q	24.8	Very low	31.4	Very low	162 Å²	162	135.1 Å²	135.1	76%	0.757	81%	0.807	S	S	*	*			trans	95.5	125.9	152.5	-77.9	-175.2	-59.4	0	0	123.9
32	E	24.1	Very low	31.6	Very low	170 Å²	170	131 Å²	131	79%	0.794	81%	0.809	S	S	*	*			trans	61.6	94.5	139.8	-65.4	-176.2	177.3	0	0	124.1
33	V	32.6	Very low	31.5	Very low	142 Å²	142	131 Å²	131	86%	0.861	80%	0.801	S	S	*	*			trans	-4.8	116.4	140	-171.3	0	0	0	0	119
34	R	25.1	Very low	32.8	Very low	226 Å²	226	134.5 Å²	134.5	85%	0.853	80%	0.799	S	S	*	*				-175.2	135.6	120.1	-105.1	-179.5	-175.1	-163.6	0.7	114.5
35	L	34.5	Very low	34	Very low	168 Å²	168	131.8 Å²	131.8	88%	0.88	79%	0.79	S	S	*	*			trans	68.7	136.3	152.2	-64	166.7	0	0	0	120.9
36	G	25.1	Very low	35.5	Very low	83 Å²	83	129.1 Å²	129.1	86%	0.856	77%	0.766	S	S	*	*			trans	121.3	121.1	-176.2	0	0	0	0	0	109.3
37	G	25.6	Very low	37.6	Very low	77 Å²	77	125.7 Å²	125.7	79%	0.794	75%	0.75	S	S	*	*			cis	154.2	92.6	11.3	0	0	0	0	0	105.3	G39	G37-G39 PolarHBondContact O-N 3.43Å
38	G	28.2	Very low	39.3	Very low	84 Å²	84	121.5 Å²	121.5	87%	0.866	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-75.1	120.9	-166.1	0	0	0	0	0	112.8
39	G	28.3	Very low	41.7	Very low	80 Å²	80	117.6 Å²	117.6	83%	0.825	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-78	119.5	172.3	0	0	0	0	0	111.7	G37	G37-G39 PolarHBondContact O-N 3.43Å
40	R	36.8	Very low	44.3	Very low	246 Å²	246	114.2 Å²	114.2	93%	0.928	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-71.6	137.8	156.4	-74.7	-179.3	169.9	-172.4	-4.1	108.2
41	G	33.1	Very low	46.5	Very low	80 Å²	80	114.4 Å²	114.4	83%	0.825	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-71.9	124.8	162.6	0	0	0	0	0	108.6
42	G	33.5	Very low	49.6	Very low	79 Å²	79	107.2 Å²	107.2	81%	0.814	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-82.7	119	177	0	0	0	0	0	111
43	L	41.9	Very low	52.7	Low	126 Å²	126	101.4 Å²	101.4	66%	0.66	64%	0.637	S	S	*	*	P	Polyproline II helix	trans	-67.4	151.2	142	-72.1	157.5	0	0	0	107.3
44	E	52.6	Low	55.5	Low	142 Å²	142	98.7 Å²	98.7	66%	0.664	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-62.1	137	167.8	-69.5	-175	157	0	0	108.2	E46 Q47	E44-E46 VanDerWaalsContact C-N 3.28Å; E44-E46 PolarHBondContact O-N 3.17Å; E44-Q47 HydrophobicContact CB-CB 4.26Å; E44-Q47 VanDerWaalsContact O-CB 3.28Å; E44-Q47 WeakPolarHBondContact O-CB 2.97Å; E44-Q47 PolarHBondContact O-N 2.83Å
45	P	57.2	Low	58.6	Low	94 Å²	94	88.2 Å²	88.2	61%	0.61	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.3	-49.4	-170.4	-29	36	0	0	0	112.3	Q47 R63 E329	P45-Q47 PolarHBondContact O-N 2.79Å; P45-Q47 VanDerWaalsContact O-N 3.17Å; P45-R63 PolarHBondContact O-NH2 2.74Å; P45-E329 VanDerWaalsContact C-CD 3.44Å; P45-E329 WeakPolarHBondContact CA-OE1 3.17Å; P45-E329 HydrophobicContact CB-CG 4.34Å; P45-E329 WeakPolarHBondContact CB-OE1 3.28Å; P45-E329 VanDerWaalsContact O-OE2 3.06Å
46	E	69.5	Low	61	Low	67 Å²	67	85 Å²	85	31%	0.313	56%	0.564	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.2	7.4	-177.4	-84.8	-68	170.2	0	0	115.6	E44 G48 K61 S327 E329	E44-E46 VanDerWaalsContact C-N 3.28Å; E44-E46 PolarHBondContact O-N 3.17Å; E46-G48 PolarHBondContact O-N 3Å; E46-K61 PolarHBondContact O-NZ 3.2Å; E46-K61 IonicContact OE2-NZ 3.91Å; E46-K61 PolarHBondContact OE2-NZ 2.75Å; E46-S327 WeakPolarHBondContact OE1-CB 3.33Å; E46-E329 PolarHBondContact N-OE1 2.6Å
47	Q	73.2	Confident	63.7	Low	102 Å²	102	84.1 Å²	84.1	48%	0.477	54%	0.544	S	S	.	.			trans	-85.6	114.5	179.5	-164.1	160.5	44	0	0	109.8	E44 P45	E44-Q47 HydrophobicContact CB-CB 4.26Å; E44-Q47 VanDerWaalsContact O-CB 3.28Å; E44-Q47 WeakPolarHBondContact O-CB 2.97Å; E44-Q47 PolarHBondContact O-N 2.83Å; P45-Q47 PolarHBondContact O-N 2.79Å; P45-Q47 VanDerWaalsContact O-N 3.17Å
48	G	79.4	Confident	66.7	Low	20 Å²	20	81.8 Å²	81.8	21%	0.206	51%	0.514	C	S	.	.			trans	-66.6	166.1	171.9	0	0	0	0	0	112.4	E46 P50 Y62	E46-G48 PolarHBondContact O-N 3Å; G48-P50 WeakPolarHBondContact O-CD 3.28Å; G48-Y62 CarbonylContact C-O 3.13Å; G48-Y62 WeakPolarHBondContact CA-O 3.38Å
49	D	85.2	Confident	69.4	Low	37 Å²	37	80.6 Å²	80.6	20%	0.198	49%	0.491	C	S	.	.			trans	-65.3	115.5	179.8	-82.8	-33.5	0	0	0	111.2	D51 I52 Y62 F64 K516	D49-D51 PolarHBondContact O-N 3.25Å; D49-I52 HydrophobicContact CB-CD1 3.89Å; D49-I52 HydrophobicContact CB-CG1 3.98Å; D49-I52 PolarHBondContact O-N 3.44Å; D49-Y62 PolarHBondContact N-O 2.69Å; D49-F64 PolarHBondContact OD2-N 3.47Å; D49-K516 IonicContact OD1-NZ 3.52Å; D49-K516 PolarHBondContact OD1-NZ 3.29Å; D49-K516 VanDerWaalsContact OD2-CE 3.28Å; D49-K516 WeakPolarHBondContact OD2-CE 3.4Å; D49-K516 IonicContact OD2-NZ 3.77Å; D49-K516 PolarHBondContact OD2-NZ 2.73Å
50	P	80.1	Confident	72.4	Confident	108 Å²	108	77.2 Å²	77.2	70%	0.701	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-12.7	-178.4	32.3	-36.9	0	0	0	113.2	G48 I52	G48-P50 WeakPolarHBondContact O-CD 3.28Å; P50-I52 VanDerWaalsContact C-N 3.32Å
51	D	86.5	Confident	75.1	Confident	109 Å²	109	68.5 Å²	68.5	58%	0.583	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-10.5	-179.3	-61.9	-31.2	0	0	0	113	D49 P517	D49-D51 PolarHBondContact O-N 3.25Å; D51-P517 WeakPolarHBondContact O-CA 3.18Å
52	I	89.8	Confident	78.1	Confident	12 Å²	12	65.1 Å²	65.1	6%	0.062	39%	0.385	C	S	.	.	S	Bend	trans	-89	113.1	177.9	-58.3	-179.3	0	0	0	108.2	D49 P50 F64 L74 K516 L520	D49-I52 HydrophobicContact CB-CD1 3.89Å; D49-I52 HydrophobicContact CB-CG1 3.98Å; D49-I52 PolarHBondContact O-N 3.44Å; P50-I52 VanDerWaalsContact C-N 3.32Å; I52-F64 HydrophobicContact CD1-CB 4.19Å; I52-L74 HydrophobicContact CD1-CD1 3.58Å; I52-K516 HydrophobicContact CG1-CG 4.24Å; I52-L520 HydrophobicContact CG2-CD1 3.72Å; I52-L520 HydrophobicContact CG2-CG 3.81Å
53	A	89.2	Confident	81	Confident	48 Å²	48	62.8 Å²	62.8	40%	0.397	35%	0.351	S	S	.	.			trans	-69.3	131.3	175.6	0	0	0	0	0	110.2	P517 L520 T521	A53-P517 PolarHBondContact N-O 2.8Å; A53-L520 WeakPolarHBondContact O-CB 3.36Å; A53-T521 HydrophobicContact CB-CG2 4.23Å
54	K	90.6	Very high	83.6	Confident	84 Å²	84	59.1 Å²	59.1	37%	0.365	33%	0.33	S	S	.	.			trans	-138.5	164.5	177.7	70.1	167.1	-174.9	156.1	0	112	D58 K60 Y62 L520	K54-D58 HydrophobicContact CD-CB 4.41Å; K54-D58 PolarHBondContact NZ-O 2.87Å; K54-K60 PolarHBondContact NZ-O 2.77Å; K54-Y62 HydrophobicContact CB-CE2 4.3Å; K54-Y62 HydrophobicContact CD-CD2 4.1Å; K54-Y62 HydrophobicContact CD-CE2 3.77Å; K54-L520 HydrophobicContact CB-CD1 3.75Å
55	S	89.3	Confident	85.7	Confident	7 Å²	7	52.9 Å²	52.9	5%	0.049	30%	0.302	C	S	.	.			trans	-60.6	139.2	176	-176.4	0	0	0	0	111.6	S57 D58 F492 R493	S55-S57 PolarHBondContact O-N 3.16Å; S55-S57 VanDerWaalsContact O-N 3.15Å; S55-S57 PolarHBondContact OG-N 3.37Å; S55-D58 WeakPolarHBondContact O-CB 3.37Å; S55-D58 PolarHBondContact O-N 3.2Å; S55-D58 VanDerWaalsContact O-N 3.1Å; S55-F492 VanDerWaalsContact CB-O 3.23Å; S55-F492 WeakPolarHBondContact CB-O 3.07Å; S55-F492 VanDerWaalsContact N-CZ 3.27Å; S55-F492 PolarHBondContact OG-O 3.31Å; S55-R493 WeakPolarHBondContact OG-CA 3.41Å; S55-R493 PolarHBondContact OG-O 2.87Å
56	P	85.6	Confident	87.6	Confident	101 Å²	101	54.5 Å²	54.5	66%	0.656	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-20	172.9	-23.6	34.3	0	0	0	114.2	R493	P56-R493 HydrophobicContact CG-CG 4.33Å
57	S	82.8	Confident	88.9	Confident	63 Å²	63	51.6 Å²	51.6	44%	0.441	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-11.9	178.6	-56.4	0	0	0	0	112.9	S55 P59 R493	S55-S57 PolarHBondContact O-N 3.16Å; S55-S57 VanDerWaalsContact O-N 3.15Å; S55-S57 PolarHBondContact OG-N 3.37Å; S57-P59 WeakPolarHBondContact O-CD 3.45Å; S57-R493 WeakPolarHBondContact CB-O 3.07Å; S57-R493 PolarHBondContact OG-O 2.85Å
58	D	87.1	Confident	90	Very high	28 Å²	28	50.6 Å²	50.6	15%	0.15	30%	0.304	C	S	.	.			trans	-80.2	117.1	-178.7	173.4	19.8	0	0	0	111.2	K54 S55 K60 Y62	K54-D58 HydrophobicContact CD-CB 4.41Å; K54-D58 PolarHBondContact NZ-O 2.87Å; S55-D58 WeakPolarHBondContact O-CB 3.37Å; S55-D58 PolarHBondContact O-N 3.2Å; S55-D58 VanDerWaalsContact O-N 3.1Å; D58-K60 WeakPolarHBondContact OD1-CB 3.48Å; D58-K60 WeakPolarHBondContact OD1-CG 3.43Å; D58-K60 PolarHBondContact OD1-N 2.84Å; D58-Y62 WeakPolarHBondContact OD2-CE2 3.45Å; D58-Y62 VanDerWaalsContact OD2-CZ 3.29Å; D58-Y62 PolarHBondContact OD2-OH 3Å
59	P	85.3	Confident	90.8	Very high	60 Å²	60	50.3 Å²	50.3	39%	0.39	30%	0.298	S	S	.	.			trans	-83.2	-13.1	178.8	36.6	-37.1	0	0	0	113.8	S57 S80	S57-P59 WeakPolarHBondContact O-CD 3.45Å; P59-S80 WeakPolarHBondContact CG-OG 3.38Å
60	K	90.9	Very high	91.4	Very high	8 Å²	8	49.1 Å²	49.1	4%	0.035	30%	0.295	C	S	.	.			trans	-62.9	152.3	-175.2	-59.6	173.7	-174.3	-176.7	0	111.6	K54 D58 Y62 I76 D78 Q323 F503	K54-K60 PolarHBondContact NZ-O 2.77Å; D58-K60 WeakPolarHBondContact OD1-CB 3.48Å; D58-K60 WeakPolarHBondContact OD1-CG 3.43Å; D58-K60 PolarHBondContact OD1-N 2.84Å; K60-Y62 HydrophobicContact CB-CE2 3.95Å; K60-I76 HydrophobicContact CB-CG2 4.21Å; K60-I76 HydrophobicContact CD-CG2 3.89Å; K60-I76 HydrophobicContact CG-CG2 4.46Å; K60-D78 HydrophobicContact CG-CB 4.06Å; K60-Q323 VanDerWaalsContact CE-OE1 3.3Å; K60-F503 HydrophobicContact CD-CE1 4.1Å; K60-F503 VanDerWaalsContact NZ-CD1 3.27Å
61	K	93.7	Very high	92.3	Very high	63 Å²	63	44 Å²	44	27%	0.274	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	146.8	170.6	-53.3	-179.4	-175.9	-178.4	0	110.2	E46 I76 S77 L328	E46-K61 PolarHBondContact O-NZ 3.2Å; E46-K61 IonicContact OE2-NZ 3.91Å; E46-K61 PolarHBondContact OE2-NZ 2.75Å; K61-I76 CarbonylContact O-C 3.55Å; K61-I76 WeakPolarHBondContact O-CA 3.34Å; K61-S77 PolarHBondContact N-O 2.87Å; K61-S77 PolarHBondContact O-N 2.7Å; K61-L328 HydrophobicContact CB-CD1 3.82Å; K61-L328 HydrophobicContact CB-CG 4.33Å; K61-L328 HydrophobicContact CD-CD1 4.22Å
62	Y	95.7	Very high	92.8	Very high	10 Å²	10	42.2 Å²	42.2	4%	0.039	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	142.7	-177.4	-58.9	-90.1	0	0	0	111.4	G48 D49 K54 D58 K60 L74 L75 I76 F503 L520	G48-Y62 CarbonylContact C-O 3.13Å; G48-Y62 WeakPolarHBondContact CA-O 3.38Å; D49-Y62 PolarHBondContact N-O 2.69Å; K54-Y62 HydrophobicContact CB-CE2 4.3Å; K54-Y62 HydrophobicContact CD-CD2 4.1Å; K54-Y62 HydrophobicContact CD-CE2 3.77Å; D58-Y62 WeakPolarHBondContact OD2-CE2 3.45Å; D58-Y62 VanDerWaalsContact OD2-CZ 3.29Å; D58-Y62 PolarHBondContact OD2-OH 3Å; K60-Y62 HydrophobicContact CB-CE2 3.95Å; Y62-L74 HydrophobicContact CD1-CD2 3.84Å; Y62-L74 HydrophobicContact CD1-CG 4.38Å; Y62-L75 CarbonylContact C-O 3.54Å; Y62-L75 VanDerWaalsContact CA-O 3.29Å; Y62-L75 WeakPolarHBondContact CA-O 3.12Å; Y62-I76 HydrophobicContact CD1-CB 4.44Å; Y62-I76 HydrophobicContact CD1-CG1 3.96Å; Y62-I76 HydrophobicContact CD1-CG2 4.12Å; Y62-I76 HydrophobicContact CE1-CB 4.38Å; Y62-I76 HydrophobicContact CE1-CD1 4.21Å; Y62-I76 HydrophobicContact CE1-CG1 4.03Å; Y62-I76 HydrophobicContact CE1-CG2 3.67Å; Y62-F503 HydrophobicContact CE1-CE1 4.09Å; Y62-F503 HydrophobicContact CE1-CZ 4.17Å; Y62-F503 WeakPolarHBondContact OH-CZ 3.45Å; Y62-L520 HydrophobicContact CD1-CD1 4.13Å; Y62-L520 HydrophobicContact CD1-CD2 4.33Å; Y62-L520 HydrophobicContact CD2-CD1 4.06Å; Y62-L520 HydrophobicContact CE1-CD1 3.82Å; Y62-L520 HydrophobicContact CE1-CD2 4.01Å; Y62-L520 HydrophobicContact CE2-CD1 3.78Å; Y62-L520 HydrophobicContact CG-CD1 4.24Å
63	R	96.1	Very high	93.2	Very high	29 Å²	29	41.6 Å²	41.6	11%	0.109	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	122.4	168.6	-178	-179.2	-64.3	151.4	12	110.1	P45 L75 L328 E329 E332	P45-R63 PolarHBondContact O-NH2 2.74Å; R63-L75 HydrophobicContact CB-CB 4.4Å; R63-L75 PolarHBondContact N-O 3.22Å; R63-L75 PolarHBondContact O-N 3.43Å; R63-L328 HydrophobicContact CB-CD1 4.2Å; R63-L328 HydrophobicContact CB-CD2 4.09Å; R63-L328 VanDerWaalsContact CZ-CB 3.47Å; R63-L328 PolarHBondContact NH1-O 3.26Å; R63-L328 VanDerWaalsContact NH2-CB 3.31Å; R63-E329 IonicContact CZ-OE2 3.16Å; R63-E329 IonicContact NH1-OE2 2.74Å; R63-E329 PolarHBondContact NH1-OE2 2.72Å; R63-E329 IonicContact NH2-OE2 3.67Å; R63-E329 PolarHBondContact NH2-OE2 3.34Å; R63-E332 WeakPolarHBondContact CD-OE2 3.36Å; R63-E332 IonicContact CZ-OE2 3.44Å; R63-E332 IonicContact NE-OE2 3.85Å; R63-E332 IonicContact NH1-OE2 2.73Å; R63-E332 PolarHBondContact NH1-OE2 3.33Å
64	F	96.8	Very high	93.7	Very high	49 Å²	49	39.3 Å²	39.3	22%	0.215	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	132.7	174	177.8	-87.4	0	0	0	110.7	D49 I52 R72 V73 L74 M511 K516 L519	D49-F64 PolarHBondContact OD2-N 3.47Å; I52-F64 HydrophobicContact CD1-CB 4.19Å; F64-R72 HydrophobicContact CE2-CB 4.21Å; F64-R72 HydrophobicContact CZ-CB 4.14Å; F64-R72 HydrophobicContact CZ-CG 4.24Å; F64-V73 WeakPolarHBondContact CA-O 3.44Å; F64-L74 HydrophobicContact CB-CD1 3.88Å; F64-L74 HydrophobicContact CD2-CD1 4.46Å; F64-M511 HydrophobicContact CD2-SD 4.09Å; F64-M511 HydrophobicContact CE2-SD 3.89Å; F64-K516 HydrophobicContact CB-CD 4.09Å; F64-K516 HydrophobicContact CB-CG 4.44Å; F64-K516 HydrophobicContact CD1-CD 3.95Å; F64-K516 HydrophobicContact CG-CD 4.11Å; F64-K516 HydrophobicContact CG-CG 4.4Å; F64-L519 HydrophobicContact CD2-CD1 4.1Å
65	L	95.3	Very high	94	Very high	12 Å²	12	35.3 Å²	35.3	6%	0.063	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	154.6	177.3	62.9	96.4	0	0	0	112.4	L67 V73 L75 E332	L65-L67 HydrophobicContact CD1-CD2 3.53Å; L65-L67 HydrophobicContact CD1-CG 4.18Å; L65-V73 HydrophobicContact CD1-CB 3.96Å; L65-V73 HydrophobicContact CD1-CG2 4.01Å; L65-V73 HydrophobicContact CG-CB 4.07Å; L65-V73 PolarHBondContact N-O 3.35Å; L65-V73 PolarHBondContact O-N 3.36Å; L65-L75 HydrophobicContact CD2-CD1 3.61Å; L65-L75 HydrophobicContact CD2-CG 4Å; L65-E332 HydrophobicContact CD2-CB 4.36Å; L65-E332 HydrophobicContact CD2-CG 3.82Å
66	E	96.8	Very high	94.3	Very high	127 Å²	127	35 Å²	35	59%	0.593	21%	0.205	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-111.6	130.4	171.4	-165.1	-177.9	144.7	0	0	108.5	L71 R72	E66-L71 WeakPolarHBondContact CA-O 3.43Å; E66-R72 HydrophobicContact CG-CG 4.43Å
67	L	97.5	Very high	94.8	Very high	6 Å²	6	30.2 Å²	30.2	3%	0.031	17%	0.174	C	C	.	.			trans	-80.5	163.1	177.1	-66.6	-168.2	0	0	0	111.6	L65 N69 G70 L71 V73 V335 R336 F339 I340	L65-L67 HydrophobicContact CD1-CD2 3.53Å; L65-L67 HydrophobicContact CD1-CG 4.18Å; L67-N69 WeakPolarHBondContact CB-OD1 3.43Å; L67-N69 PolarHBondContact O-N 2.9Å; L67-N69 VanDerWaalsContact O-N 3.13Å; L67-G70 WeakPolarHBondContact O-CA 3.33Å; L67-G70 PolarHBondContact O-N 2.88Å; L67-L71 HydrophobicContact CB-CB 4.21Å; L67-L71 HydrophobicContact CD1-CB 4.17Å; L67-L71 HydrophobicContact CD1-CD2 3.87Å; L67-L71 HydrophobicContact CD1-CG 4.48Å; L67-L71 HydrophobicContact CG-CB 4.33Å; L67-L71 PolarHBondContact N-O 2.96Å; L67-V73 HydrophobicContact CG-CG2 4.23Å; L67-V335 HydrophobicContact CD1-CG1 4.18Å; L67-R336 HydrophobicContact CD2-CG 3.71Å; L67-F339 HydrophobicContact CD1-CB 3.98Å; L67-I340 HydrophobicContact CB-CD1 4.21Å
68	G	96.6	Very high	95.1	Very high	81 Å²	81	27.5 Å²	27.5	84%	0.835	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-16.4	179.5	0	0	0	0	0	114.9
69	N	96.9	Very high	94.8	Very high	14 Å²	14	30.5 Å²	30.5	8%	0.075	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	0.6	171.1	62.8	-6.1	0	0	0	113.1	L67 L71 A315 F339 I340 I342 N344	L67-N69 WeakPolarHBondContact CB-OD1 3.43Å; L67-N69 PolarHBondContact O-N 2.9Å; L67-N69 VanDerWaalsContact O-N 3.13Å; N69-L71 PolarHBondContact OD1-N 2.82Å; N69-A315 HydrophobicContact CB-CB 3.83Å; N69-A315 VanDerWaalsContact CG-CB 3.45Å; N69-A315 WeakPolarHBondContact ND2-CB 3.4Å; N69-A315 WeakPolarHBondContact O-CB 3.48Å; N69-F339 PolarHBondContact ND2-O 2.67Å; N69-I340 HydrophobicContact CB-CD1 4.35Å; N69-I340 PolarHBondContact ND2-O 2.91Å; N69-I342 PolarHBondContact ND2-O 3.18Å; N69-N344 HydrophobicContact CB-CB 4.4Å; N69-N344 PolarHBondContact O-ND2 3.01Å
70	G	97.1	Very high	93.8	Very high	13 Å²	13	28.9 Å²	28.9	13%	0.134	16%	0.16	C	C	.	.			trans	88.3	3.5	177.7	0	0	0	0	0	115.5	L67 R72 H316	L67-G70 WeakPolarHBondContact O-CA 3.33Å; L67-G70 PolarHBondContact O-N 2.88Å; G70-R72 PolarHBondContact O-N 2.62Å; G70-H316 WeakPolarHBondContact O-CA 3.25Å
71	L	98.3	Very high	92	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.186	C	C	.	.			trans	-62.9	128.3	170.8	178.9	68.6	0	0	0	109.8	E66 L67 N69 V73 A315 M318 L320 F339	E66-L71 WeakPolarHBondContact CA-O 3.43Å; L67-L71 HydrophobicContact CB-CB 4.21Å; L67-L71 HydrophobicContact CD1-CB 4.17Å; L67-L71 HydrophobicContact CD1-CD2 3.87Å; L67-L71 HydrophobicContact CD1-CG 4.48Å; L67-L71 HydrophobicContact CG-CB 4.33Å; L67-L71 PolarHBondContact N-O 2.96Å; N69-L71 PolarHBondContact OD1-N 2.82Å; L71-V73 HydrophobicContact CD2-CG2 4.01Å; L71-V73 HydrophobicContact CG-CG2 3.91Å; L71-A315 VanDerWaalsContact CA-O 3.29Å; L71-A315 WeakPolarHBondContact CA-O 3.47Å; L71-A315 HydrophobicContact CB-CB 4.27Å; L71-M318 HydrophobicContact CD1-CB 3.39Å; L71-L320 HydrophobicContact CD1-CB 4.2Å; L71-L320 HydrophobicContact CD2-CB 4.2Å; L71-L320 HydrophobicContact CD2-CD2 3.95Å; L71-L320 HydrophobicContact CG-CB 4.41Å; L71-F339 HydrophobicContact CD2-CB 3.67Å; L71-F339 HydrophobicContact CD2-CD1 4.19Å; L71-F339 HydrophobicContact CD2-CG 4.23Å
72	R	98.2	Very high	89.2	Confident	71 Å²	71	36.8 Å²	36.8	27%	0.268	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	133	174.1	-65.4	179.6	-67.7	154.6	0	109.1	F64 E66 G70 M318 T319 L320 M511	F64-R72 HydrophobicContact CE2-CB 4.21Å; F64-R72 HydrophobicContact CZ-CB 4.14Å; F64-R72 HydrophobicContact CZ-CG 4.24Å; E66-R72 HydrophobicContact CG-CG 4.43Å; G70-R72 PolarHBondContact O-N 2.62Å; R72-M318 PolarHBondContact N-O 3.5Å; R72-T319 HydrophobicContact CB-CG2 4.13Å; R72-T319 VanDerWaalsContact NH2-CG2 3.26Å; R72-T319 CarbonylContact O-C 3.44Å; R72-T319 WeakPolarHBondContact O-CA 2.96Å; R72-L320 PolarHBondContact O-N 2.86Å; R72-M511 PolarHBondContact NH1-O 2.72Å; R72-M511 PolarHBondContact NH2-O 3.19Å
73	V	98.3	Very high	86.2	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	137.4	-171.8	-171.2	0	0	0	0	110.8	F64 L65 L67 L71 L75 L320 V335	F64-V73 WeakPolarHBondContact CA-O 3.44Å; L65-V73 HydrophobicContact CD1-CB 3.96Å; L65-V73 HydrophobicContact CD1-CG2 4.01Å; L65-V73 HydrophobicContact CG-CB 4.07Å; L65-V73 PolarHBondContact N-O 3.35Å; L65-V73 PolarHBondContact O-N 3.36Å; L67-V73 HydrophobicContact CG-CG2 4.23Å; L71-V73 HydrophobicContact CD2-CG2 4.01Å; L71-V73 HydrophobicContact CG-CG2 3.91Å; V73-L75 HydrophobicContact CG1-CD2 3.6Å; V73-L75 HydrophobicContact CG1-CG 4.3Å; V73-L320 CarbonylContact C-O 3.59Å; V73-L320 WeakPolarHBondContact CA-O 3.21Å; V73-L320 HydrophobicContact CG1-CB 4.38Å; V73-L320 HydrophobicContact CG1-CD2 4.15Å; V73-L320 HydrophobicContact CG1-CG 4.21Å; V73-L320 WeakPolarHBondContact CG1-O 3.2Å; V73-L320 HydrophobicContact CG2-CB 4.31Å; V73-L320 HydrophobicContact CG2-CD2 4.26Å; V73-V335 HydrophobicContact CG1-CG1 4.04Å; V73-V335 HydrophobicContact CG2-CG1 3.96Å
74	L	98.1	Very high	83	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	118.3	161.4	-164.7	72.8	0	0	0	110.4	I52 Y62 F64 I76 L320 A321 V322 I507 M511 L519 L520	I52-L74 HydrophobicContact CD1-CD1 3.58Å; Y62-L74 HydrophobicContact CD1-CD2 3.84Å; Y62-L74 HydrophobicContact CD1-CG 4.38Å; F64-L74 HydrophobicContact CB-CD1 3.88Å; F64-L74 HydrophobicContact CD2-CD1 4.46Å; L74-I76 HydrophobicContact CD2-CD1 4.47Å; L74-I76 HydrophobicContact CD2-CG1 4.38Å; L74-I76 HydrophobicContact CG-CG1 4.41Å; L74-L320 PolarHBondContact N-O 3.27Å; L74-A321 WeakPolarHBondContact O-CA 3.5Å; L74-V322 PolarHBondContact O-N 3.34Å; L74-I507 HydrophobicContact CB-CG2 4.21Å; L74-I507 HydrophobicContact CD2-CG2 3.46Å; L74-I507 VanDerWaalsContact CD2-CG2 3.46Å; L74-I507 HydrophobicContact CG-CG2 4.43Å; L74-M511 HydrophobicContact CB-CE 3.89Å; L74-M511 HydrophobicContact CB-SD 3.87Å; L74-L519 HydrophobicContact CD1-CD1 4.46Å; L74-L520 HydrophobicContact CD2-CD2 4.14Å
75	L	98	Very high	79.9	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	135.9	172.7	-51.9	-179.7	0	0	0	109.7	Y62 R63 L65 V73 V322 L328 L331 E332 V335	Y62-L75 CarbonylContact C-O 3.54Å; Y62-L75 VanDerWaalsContact CA-O 3.29Å; Y62-L75 WeakPolarHBondContact CA-O 3.12Å; R63-L75 HydrophobicContact CB-CB 4.4Å; R63-L75 PolarHBondContact N-O 3.22Å; R63-L75 PolarHBondContact O-N 3.43Å; L65-L75 HydrophobicContact CD2-CD1 3.61Å; L65-L75 HydrophobicContact CD2-CG 4Å; V73-L75 HydrophobicContact CG1-CD2 3.6Å; V73-L75 HydrophobicContact CG1-CG 4.3Å; L75-V322 HydrophobicContact CD2-CB 4.21Å; L75-V322 HydrophobicContact CD2-CG2 4.45Å; L75-L328 HydrophobicContact CB-CD2 3.93Å; L75-L331 HydrophobicContact CB-CB 4.45Å; L75-L331 HydrophobicContact CD1-CB 4.12Å; L75-L331 HydrophobicContact CD2-CB 4.15Å; L75-L331 HydrophobicContact CG-CB 4.48Å; L75-E332 HydrophobicContact CD1-CB 3.6Å; L75-E332 HydrophobicContact CD1-CG 4.42Å; L75-V335 HydrophobicContact CD2-CB 4.43Å; L75-V335 HydrophobicContact CD2-CG2 3.89Å
76	I	96.2	Very high	76.9	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	104.6	-173.9	-46.2	178.6	0	0	0	108.1	K60 K61 Y62 L74 V322 Q323 S324 F503 V504 I507	K60-I76 HydrophobicContact CB-CG2 4.21Å; K60-I76 HydrophobicContact CD-CG2 3.89Å; K60-I76 HydrophobicContact CG-CG2 4.46Å; K61-I76 CarbonylContact O-C 3.55Å; K61-I76 WeakPolarHBondContact O-CA 3.34Å; Y62-I76 HydrophobicContact CD1-CB 4.44Å; Y62-I76 HydrophobicContact CD1-CG1 3.96Å; Y62-I76 HydrophobicContact CD1-CG2 4.12Å; Y62-I76 HydrophobicContact CE1-CB 4.38Å; Y62-I76 HydrophobicContact CE1-CD1 4.21Å; Y62-I76 HydrophobicContact CE1-CG1 4.03Å; Y62-I76 HydrophobicContact CE1-CG2 3.67Å; L74-I76 HydrophobicContact CD2-CD1 4.47Å; L74-I76 HydrophobicContact CD2-CG1 4.38Å; L74-I76 HydrophobicContact CG-CG1 4.41Å; I76-V322 PolarHBondContact N-O 2.86Å; I76-Q323 HydrophobicContact CB-CB 3.98Å; I76-Q323 HydrophobicContact CB-CG 4.02Å; I76-Q323 HydrophobicContact CD1-CB 4.5Å; I76-Q323 HydrophobicContact CG2-CB 4.35Å; I76-Q323 HydrophobicContact CG2-CG 3.9Å; I76-Q323 VanDerWaalsContact O-CA 3.32Å; I76-Q323 WeakPolarHBondContact O-CA 3.15Å; I76-S324 PolarHBondContact O-N 3.05Å; I76-F503 HydrophobicContact CD1-CD1 4.06Å; I76-F503 HydrophobicContact CD1-CE1 3.81Å; I76-F503 HydrophobicContact CG2-CE1 4.22Å; I76-V504 HydrophobicContact CD1-CG1 4.35Å; I76-I507 HydrophobicContact CD1-CG2 4.35Å
77	S	94.6	Very high	73.6	Confident	1 Å²	1	65.3 Å²	65.3	1%	0.007	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	113.6	-179.6	175.8	0	0	0	0	109.8	K61 E326	K61-S77 PolarHBondContact N-O 2.87Å; K61-S77 PolarHBondContact O-N 2.7Å; S77-E326 WeakPolarHBondContact CB-O 3.34Å; S77-E326 PolarHBondContact OG-O 3Å
78	D	89	Confident	70.2	Confident	5 Å²	5	68.3 Å²	68.3	3%	0.027	38%	0.383	C	S	.	.			trans	-106.9	75.7	178	-167.4	-6.3	0	0	0	111.2	K60 S80 K148 S324	K60-D78 HydrophobicContact CG-CB 4.06Å; D78-S80 PolarHBondContact O-N 2.86Å; D78-S80 VanDerWaalsContact OD1-CB 3.25Å; D78-S80 WeakPolarHBondContact OD1-CB 3.48Å; D78-S80 PolarHBondContact OD1-N 2.95Å; D78-S80 VanDerWaalsContact OD1-N 3.13Å; D78-S80 PolarHBondContact OD1-OG 2.86Å; D78-K148 IonicContact OD1-NZ 2.72Å; D78-K148 PolarHBondContact OD1-NZ 2.69Å; D78-K148 WeakPolarHBondContact OD2-CD 3.41Å; D78-K148 IonicContact OD2-NZ 3.19Å; D78-K148 PolarHBondContact OD2-NZ 3.31Å; D78-S324 PolarHBondContact N-O 2.8Å
79	L	81.8	Confident	67	Low	92 Å²	92	73.3 Å²	73.3	48%	0.482	38%	0.384	S	S	.	.			trans	-78.7	14.3	173.4	-58.6	173.8	0	0	0	112.7	R81 R325	L79-R81 PolarHBondContact O-N 3.13Å; L79-R325 VanDerWaalsContact CD2-O 3.32Å; L79-R325 WeakPolarHBondContact CD2-O 3.48Å
80	S	65.3	Low	63.8	Low	25 Å²	25	81.6 Å²	81.6	18%	0.175	42%	0.423	C	S	.	.			trans	-79.5	120.7	-174.4	73.6	0	0	0	0	112	P59 D78 K148	P59-S80 WeakPolarHBondContact CG-OG 3.38Å; D78-S80 PolarHBondContact O-N 2.86Å; D78-S80 VanDerWaalsContact OD1-CB 3.25Å; D78-S80 WeakPolarHBondContact OD1-CB 3.48Å; D78-S80 PolarHBondContact OD1-N 2.95Å; D78-S80 VanDerWaalsContact OD1-N 3.13Å; D78-S80 PolarHBondContact OD1-OG 2.86Å; S80-K148 PolarHBondContact OG-NZ 2.86Å
81	R	53.1	Low	60.5	Low	152 Å²	152	90 Å²	90	57%	0.574	46%	0.459	S	S	*	.			trans	71.9	79	-177.6	-60.9	-175.8	166.3	160.7	4.2	116.5	L79 K637	L79-R81 PolarHBondContact O-N 3.13Å; R81-K637 PolarHBondContact NH2-O 2.85Å
82	A	34.2	Very low	57.2	Low	86 Å²	86	99.4 Å²	99.4	71%	0.711	50%	0.503	S	S	*	.			trans	-89.5	125.7	138.5	0	0	0	0	0	108.9
83	N	33.3	Very low	53.7	Low	134 Å²	134	101.9 Å²	101.9	72%	0.717	53%	0.53	S	S	*	.			trans	-77	151.3	153.2	-92.5	-31.1	0	0	0	108	N85	N83-N85 PolarHBondContact O-N 2.95Å
84	E	27.2	Very low	50.3	Low	196 Å²	196	111.9 Å²	111.9	92%	0.916	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.5	24.1	-166.3	-56.8	174.9	137.3	0	0	115.9
85	N	31.4	Very low	46.8	Very low	148 Å²	148	115.8 Å²	115.8	79%	0.791	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.4	-12.2	-171.4	-77.6	-15	0	0	0	115.8	N83	N83-N85 PolarHBondContact O-N 2.95Å
86	E	33.3	Very low	43.3	Very low	149 Å²	149	119.4 Å²	119.4	70%	0.696	66%	0.655	S	S	*	*	G	3₁₀ helix	trans	-87.4	-14.7	-176.6	-70.3	-169.2	162.6	0	0	115	G88	E86-G88 PolarHBondContact O-N 2.71Å
87	E	26.6	Very low	40	Very low	199 Å²	199	128.5 Å²	128.5	93%	0.93	70%	0.698	S	S	*	*	G	3₁₀ helix	trans	-69.5	2.6	176.1	-65.9	-168.5	159	0	0	113.9
88	G	27.5	Very low	36.6	Very low	68 Å²	68	137.9 Å²	137.9	70%	0.701	74%	0.741	S	S	*	*	G	3₁₀ helix	trans	-94.1	-4.4	-176.9	0	0	0	0	0	116.6	E86	E86-G88 PolarHBondContact O-N 2.71Å
89	Q	28.9	Very low	33.6	Very low	186 Å²	186	146.1 Å²	146.1	87%	0.869	78%	0.78	S	S	*	*			trans	-135.7	54	-173.3	-64.5	-173.2	9.9	0	0	113.3
90	Q	29.3	Very low	30.8	Very low	188 Å²	188	151.3 Å²	151.3	88%	0.879	80%	0.801	S	S	*	*			trans	-133.1	70.9	164.6	-75.5	-167.4	-7.4	0	0	111.5
91	E	28.8	Very low	28.9	Very low	190 Å²	190	157.1 Å²	157.1	89%	0.888	83%	0.831	S	S	*	*			trans	-159.7	142.9	155.8	-109.7	169.7	-151.7	0	0	107.5
92	E	27.6	Very low	27.5	Very low	198 Å²	198	158.1 Å²	158.1	93%	0.925	85%	0.847	S	S	*	*			trans	70.9	85.2	-172.4	-50.1	-172.9	174.1	0	0	115.2
93	S	25.7	Very low	27.1	Very low	122 Å²	122	162.9 Å²	162.9	85%	0.853	86%	0.855	S	S	*	*				-157.6	106.9	79.1	61.2	0	0	0	0	114.3
94	E	27.3	Very low	26.5	Very low	210 Å²	210	164.5 Å²	164.5	98%	0.981	86%	0.863	S	S	*	*			trans	-94	125.8	155.1	-75.1	-171.4	155.5	0	0	109
95	G	24.4	Very low	26.5	Very low	82 Å²	82	164.1 Å²	164.1	85%	0.845	86%	0.862	S	S	*	*			trans	170.2	97.8	177.3	0	0	0	0	0	110.4
96	G	24.3	Very low	26.1	Very low	77 Å²	77	161.9 Å²	161.9	79%	0.794	85%	0.85	S	S	*	*			trans	-103.6	157.8	177.5	0	0	0	0	0	112.7
97	E	25.7	Very low	25.7	Very low	191 Å²	191	157.2 Å²	157.2	89%	0.893	83%	0.829	S	S	*	*			trans	-154.2	103.3	163.5	-96.8	161	-154.8	0	0	102.9
98	E	24.1	Very low	25.6	Very low	197 Å²	197	147.8 Å²	147.8	92%	0.921	79%	0.786	S	S	*	*				66.3	123.4	97	-74.4	-167.9	-177.8	0	0	114.1
99	E	26.7	Very low	25.6	Very low	178 Å²	178	145 Å²	145	83%	0.832	76%	0.755	S	S	*	*			trans	-75.5	145.4	-170.9	-58.6	157.3	163.8	0	0	112.6
100	E	22.8	Very low	25.7	Very low	201 Å²	201	136.9 Å²	136.9	94%	0.939	72%	0.716	S	S	*	*			trans	-133.8	122.3	145	-74.1	-164	148.1	0	0	108.3
101	D	25.3	Very low	25.4	Very low	148 Å²	148	130.2 Å²	130.2	79%	0.791	70%	0.698	S	S	*	*			trans	-69.1	140.2	175.5	-55.5	-63.7	0	0	0	111
102	D	22.5	Very low	25.2	Very low	173 Å²	173	123.3 Å²	123.3	93%	0.925	67%	0.666	S	S	*	*			trans	-136.5	123.1	150.5	-99.1	-37.4	0	0	0	108
103	E	25.8	Very low	25	Very low	186 Å²	186	118.2 Å²	118.2	87%	0.869	65%	0.652	S	S	*	*			trans	-74.2	125	-179.9	-57.8	168.6	150	0	0	110
104	D	21.6	Very low	24.8	Very low	167 Å²	167	113.4 Å²	113.4	89%	0.893	62%	0.619	S	S	*	*			trans	-151.4	135.7	154	-96.7	-39.3	0	0	0	109.5
105	E	27.5	Very low	24.7	Very low	189 Å²	189	105.8 Å²	105.8	88%	0.883	59%	0.591	S	S	*	*			trans	-90	119	-167.5	-57.3	165.8	149	0	0	111.2
106	D	21.7	Very low	24.7	Very low	101 Å²	101	103.3 Å²	103.3	54%	0.54	56%	0.561	S	S	.	*			trans	-143	87.9	169.8	-93.4	-49.3	0	0	0	109.7	N189 R944	D106-N189 PolarHBondContact O-OD1 2.98Å; D106-R944 IonicContact OD1-NH2 2.67Å; D106-R944 PolarHBondContact OD1-NH2 2.86Å
107	D	25.4	Very low	24.6	Very low	50 Å²	50	103.6 Å²	103.6	27%	0.267	55%	0.551	S	S	.	*			trans	-77.6	110.2	167.3	-65	-49	0	0	0	109.3	E188 K894	D107-E188 HydrophobicContact CB-CB 4.33Å; D107-E188 WeakPolarHBondContact OD1-CB 3.36Å; D107-E188 PolarHBondContact OD1-N 3.09Å; D107-K894 WeakPolarHBondContact O-CE 3.46Å; D107-K894 PolarHBondContact O-NZ 2.72Å
108	D	25.2	Very low	24.6	Very low	2 Å²	2	99.8 Å²	99.8	1%	0.011	54%	0.537	C	S	.	.			trans	-136.7	93.8	-179.5	-74	46.3	0	0	0	110.9	N189 E885 D889 K894 R944	D108-N189 VanDerWaalsContact C-CB 3.42Å; D108-N189 WeakPolarHBondContact CA-ND2 3.37Å; D108-N189 PolarHBondContact N-ND2 2.89Å; D108-N189 VanDerWaalsContact O-CB 3.27Å; D108-N189 WeakPolarHBondContact O-CB 3.3Å; D108-N189 PolarHBondContact O-ND2 3.04Å; D108-E885 HydrophobicContact CB-CG 4.27Å; D108-D889 HydrophobicContact CB-CB 3.49Å; D108-D889 VanDerWaalsContact CB-CB 3.49Å; D108-D889 VanDerWaalsContact CG-OD1 3.28Å; D108-D889 VanDerWaalsContact OD1-CG 3.31Å; D108-D889 WeakPolarHBondContact OD2-CB 3.37Å; D108-D889 VanDerWaalsContact OD2-CG 3.32Å; D108-K894 IonicContact OD1-NZ 3.74Å; D108-K894 PolarHBondContact OD1-NZ 3.25Å; D108-R944 IonicContact OD1-NH2 2.93Å; D108-R944 IonicContact OD2-CZ 3.93Å; D108-R944 IonicContact OD2-NH1 3.81Å; D108-R944 PolarHBondContact OD2-NH1 2.76Å; D108-R944 IonicContact OD2-NH2 2.59Å; D108-R944 PolarHBondContact OD2-NH2 2.94Å
109	E	27.3	Very low	24.9	Very low	10 Å²	10	92 Å²	92	5%	0.047	50%	0.501	C	S	.	.			trans	-90.2	156.2	176.5	-68.9	173.2	153.5	0	0	112.1	M180 N189 F888 D889	E109-M180 WeakPolarHBondContact OE1-CE 3.32Å; E109-M180 VanDerWaalsContact OE2-CE 3.24Å; E109-M180 WeakPolarHBondContact OE2-CE 3.29Å; E109-N189 HydrophobicContact CB-CB 4.48Å; E109-N189 HydrophobicContact CG-CB 3.6Å; E109-F888 HydrophobicContact CB-CE1 4.26Å; E109-F888 WeakPolarHBondContact O-CD1 3.49Å; E109-F888 WeakPolarHBondContact O-CE1 3.19Å; E109-D889 PolarHBondContact O-N 2.71Å
110	E	29.9	Very low	24.8	Very low	15 Å²	15	89.6 Å²	89.6	7%	0.07	49%	0.489	C	S	.	.			trans	-150.8	139.5	151.9	-20.7	-158.3	117.2	0	0	108.6	D192 K196 E884 E885 F888	E110-D192 PolarHBondContact N-OD2 3.4Å; E110-K196 HydrophobicContact CG-CD 4.31Å; E110-K196 WeakPolarHBondContact O-CE 3.5Å; E110-K196 PolarHBondContact O-NZ 3.44Å; E110-E884 VanDerWaalsContact CD-O 3.28Å; E110-E884 WeakPolarHBondContact OE2-CG 3.4Å; E110-E885 HydrophobicContact CG-CB 4.42Å; E110-F888 HydrophobicContact CB-CB 3.66Å; E110-F888 HydrophobicContact CB-CD1 4.08Å; E110-F888 HydrophobicContact CB-CD2 3.66Å; E110-F888 HydrophobicContact CB-CE1 4.4Å; E110-F888 HydrophobicContact CB-CE2 4.03Å; E110-F888 HydrophobicContact CB-CG 3.64Å; E110-F888 HydrophobicContact CB-CZ 4.33Å; E110-F888 HydrophobicContact CG-CB 3.51Å; E110-F888 HydrophobicContact CG-CD2 4.46Å; E110-F888 HydrophobicContact CG-CG 4.06Å; E110-F888 WeakPolarHBondContact OE1-CA 3.42Å; E110-F888 WeakPolarHBondContact OE1-CB 3.1Å; E110-F888 PolarHBondContact OE1-N 3.1Å
111	G	24.4	Very low	24.9	Very low	48 Å²	48	86.1 Å²	86.1	50%	0.495	47%	0.473	S	S	.	.				162.3	27.3	82.2	0	0	0	0	0	111.9	S113	G111-S113 PolarHBondContact O-N 3.15Å
112	E	23.9	Very low	25	Very low	45 Å²	45	82.5 Å²	82.5	21%	0.21	45%	0.451	C	S	.	.			trans	-54.2	120.3	-167.4	-60.7	176.3	165.2	0	0	113.3	H176 R892 Y899	E112-H176 IonicContact OE1-CE1 2.72Å; E112-H176 IonicContact OE1-CG 2.89Å; E112-H176 IonicContact OE1-ND1 3.42Å; E112-H176 IonicContact OE1-NE2 2.83Å; E112-H176 IonicContact OE2-CE1 2.6Å; E112-R892 IonicContact OE1-NH2 3.64Å; E112-R892 IonicContact OE2-CZ 2.68Å; E112-R892 IonicContact OE2-NH1 2.73Å; E112-R892 IonicContact OE2-NH2 3.55Å; E112-R892 PolarHBondContact OE2-NH2 3.49Å; E112-Y899 HydrophobicContact CB-CE2 4.45Å; E112-Y899 WeakPolarHBondContact CB-OH 3.4Å; E112-Y899 WeakPolarHBondContact O-CE1 3.29Å; E112-Y899 PolarHBondContact O-OH 3.29Å; E112-Y899 WeakPolarHBondContact OE2-CE2 3.24Å; E112-Y899 PolarHBondContact OE2-OH 3.35Å; E112-Y899 VanDerWaalsContact OE2-OH 3.09Å
113	S	22.6	Very low	25.3	Very low	90 Å²	90	76.8 Å²	76.8	63%	0.629	42%	0.419	S	S	*	.			trans	-102.9	90	150.6	59.5	0	0	0	0	107.9	G111 N203	G111-S113 PolarHBondContact O-N 3.15Å; S113-N203 PolarHBondContact O-ND2 3.44Å
114	S	23.1	Very low	25.3	Very low	22 Å²	22	71.1 Å²	71.1	15%	0.154	40%	0.4	C	S	.	.			trans	-81.8	151.7	177.6	67.3	0	0	0	0	112.9	S116 E253 Y899	S114-S116 PolarHBondContact O-N 2.8Å; S114-E253 WeakPolarHBondContact OG-CG 3.38Å; S114-E253 PolarHBondContact OG-OE1 3.45Å; S114-Y899 WeakPolarHBondContact CB-OH 3.24Å; S114-Y899 PolarHBondContact N-OH 2.96Å; S114-Y899 PolarHBondContact OG-OH 3.35Å; S114-Y899 VanDerWaalsContact OG-OH 3.06Å
115	A	24.4	Very low	25.6	Very low	49 Å²	49	67.9 Å²	67.9	41%	0.405	38%	0.383	S	S	.	.	S	Bend	trans	58.1	52.4	150.3	0	0	0	0	0	118.6	W284	A115-W284 HydrophobicContact CB-CH2 4.19Å
116	S	25	Very low	25.6	Very low	30 Å²	30	61.3 Å²	61.3	21%	0.21	35%	0.352	C	S	.	.			trans	-154.3	9.6	160.5	66.4	0	0	0	0	116.2	S114 D118 E119 E120	S114-S116 PolarHBondContact O-N 2.8Å; S116-D118 PolarHBondContact O-N 3.25Å; S116-E119 PolarHBondContact O-N 2.86Å; S116-E120 VanDerWaalsContact CB-OE1 3.28Å; S116-E120 WeakPolarHBondContact CB-OE1 3.19Å; S116-E120 PolarHBondContact O-N 2.99Å; S116-E120 PolarHBondContact OG-OE1 3.08Å
117	S	22.7	Very low	26.1	Very low	84 Å²	84	58 Å²	58	59%	0.587	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-18.9	-168.2	49.2	0	0	0	0	116.6
118	D	25.7	Very low	26.3	Very low	111 Å²	111	62.2 Å²	62.2	59%	0.594	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.7	-12.1	169.2	-62.8	-32.8	0	0	0	113.5	S116	S116-D118 PolarHBondContact O-N 3.25Å
119	E	28.8	Very low	26.7	Very low	34 Å²	34	64.1 Å²	64.1	16%	0.159	36%	0.36	C	S	.	.	H	α-helix	trans	-112.7	-19.6	-174	-82.1	-163.5	-136.7	0	0	115.1	S116 E121 E122 E123 S262	S116-E119 PolarHBondContact O-N 2.86Å; E119-E121 VanDerWaalsContact C-N 3.29Å; E119-E122 PolarHBondContact O-N 2.98Å; E119-E123 PolarHBondContact O-N 2.89Å; E119-S262 PolarHBondContact OE2-OG 3.5Å
120	E	25.5	Very low	26.7	Very low	127 Å²	127	65.3 Å²	65.3	59%	0.593	37%	0.369	S	S	*	.	H	α-helix	trans	-73.6	-25.9	161.1	-101	178.9	-117.4	0	0	111	S116 E123 S124	S116-E120 VanDerWaalsContact CB-OE1 3.28Å; S116-E120 WeakPolarHBondContact CB-OE1 3.19Å; S116-E120 PolarHBondContact O-N 2.99Å; S116-E120 PolarHBondContact OG-OE1 3.08Å; E120-E123 PolarHBondContact O-N 3.08Å; E120-S124 VanDerWaalsContact O-CB 3.29Å; E120-S124 WeakPolarHBondContact O-CB 3.04Å; E120-S124 PolarHBondContact O-N 2.99Å; E120-S124 PolarHBondContact O-OG 2.99Å
121	E	24.9	Very low	26.7	Very low	128 Å²	128	69.5 Å²	69.5	60%	0.598	39%	0.388	S	S	*	.	H	α-helix	trans	-63.8	-47.3	163.1	-66.9	-152.4	157.5	0	0	109.9	E119 E123 S124 D125	E119-E121 VanDerWaalsContact C-N 3.29Å; E121-E123 PolarHBondContact O-N 3.15Å; E121-S124 CarbonylContact O-C 3.45Å; E121-S124 PolarHBondContact O-N 2.93Å; E121-S124 PolarHBondContact O-OG 3.25Å; E121-D125 WeakPolarHBondContact O-CB 3.39Å; E121-D125 PolarHBondContact O-N 2.85Å
122	E	26.8	Very low	26.9	Very low	71 Å²	71	69.3 Å²	69.3	33%	0.332	38%	0.376	S	S	.	.	H	α-helix	trans	-60.1	-36.2	172.1	-74.8	-158	173.2	0	0	113.9	E119 S124 E126 S430	E119-E122 PolarHBondContact O-N 2.98Å; E122-S124 VanDerWaalsContact C-N 3.34Å; E122-E126 VanDerWaalsContact O-CB 3.3Å; E122-E126 WeakPolarHBondContact O-CB 3.34Å; E122-E126 WeakPolarHBondContact O-CG 3.45Å; E122-E126 PolarHBondContact O-N 2.71Å; E122-S430 WeakPolarHBondContact OE1-CB 3.49Å
123	E	28.2	Very low	27.3	Very low	53 Å²	53	68.4 Å²	68.4	25%	0.248	37%	0.372	C	S	.	.	H	α-helix	trans	-71.6	-25.9	173.1	-74.9	-153.7	-179.8	0	0	113.4	E119 E120 E121 S260 R374	E119-E123 PolarHBondContact O-N 2.89Å; E120-E123 PolarHBondContact O-N 3.08Å; E121-E123 PolarHBondContact O-N 3.15Å; E123-S260 PolarHBondContact OE1-OG 2.9Å; E123-R374 IonicContact OE1-CZ 3.92Å; E123-R374 IonicContact OE1-NH1 2.84Å; E123-R374 IonicContact OE1-NH2 2.74Å; E123-R374 PolarHBondContact OE1-NH2 3.22Å; E123-R374 IonicContact OE2-CZ 3.51Å; E123-R374 IonicContact OE2-NH1 3.96Å; E123-R374 PolarHBondContact OE2-NH1 3.01Å; E123-R374 IonicContact OE2-NH2 2.78Å; E123-R374 PolarHBondContact OE2-NH2 2.81Å
124	S	26.1	Very low	28	Very low	67 Å²	67	66.8 Å²	66.8	47%	0.469	35%	0.354	S	S	.	.	H	α-helix	trans	-84.8	-24.8	174.3	80.7	0	0	0	0	113.5	E120 E121 E122 E127	E120-S124 VanDerWaalsContact O-CB 3.29Å; E120-S124 WeakPolarHBondContact O-CB 3.04Å; E120-S124 PolarHBondContact O-N 2.99Å; E120-S124 PolarHBondContact O-OG 2.99Å; E121-S124 CarbonylContact O-C 3.45Å; E121-S124 PolarHBondContact O-N 2.93Å; E121-S124 PolarHBondContact O-OG 3.25Å; E122-S124 VanDerWaalsContact C-N 3.34Å; S124-E127 CarbonylContact O-C 3.46Å
125	D	27.8	Very low	28.4	Very low	100 Å²	100	67.7 Å²	67.7	54%	0.535	36%	0.359	S	S	.	.	H	α-helix	trans	-86.6	-41.5	176.6	-84	-9.2	0	0	0	111	E121 E127 Y426	E121-D125 WeakPolarHBondContact O-CB 3.39Å; E121-D125 PolarHBondContact O-N 2.85Å; D125-E127 PolarHBondContact O-N 2.8Å; D125-Y426 HydrophobicContact CB-CE1 4.39Å; D125-Y426 PolarHBondContact O-OH 2.78Å
126	E	29	Very low	28.8	Very low	51 Å²	51	66 Å²	66	24%	0.238	34%	0.343	C	S	.	.	H	α-helix	trans	-63.6	-26	177.7	-80.1	-155.4	157.6	0	0	113	E122 Y426 S446	E122-E126 VanDerWaalsContact O-CB 3.3Å; E122-E126 WeakPolarHBondContact O-CB 3.34Å; E122-E126 WeakPolarHBondContact O-CG 3.45Å; E122-E126 PolarHBondContact O-N 2.71Å; E126-Y426 HydrophobicContact CB-CE2 4.24Å; E126-Y426 HydrophobicContact CG-CD2 3.85Å; E126-Y426 HydrophobicContact CG-CE2 3.97Å; E126-Y426 HydrophobicContact CG-CG 4.45Å; E126-S446 WeakPolarHBondContact OE1-CB 3.31Å; E126-S446 PolarHBondContact OE1-OG 3.36Å
127	E	31.7	Very low	29.3	Very low	32 Å²	32	65.7 Å²	65.7	15%	0.15	34%	0.338	C	S	.	.			trans	-139.7	116.7	162	-65.4	-164.9	167.3	0	0	110.4	S124 D125 E129 Q736	S124-E127 CarbonylContact O-C 3.46Å; D125-E127 PolarHBondContact O-N 2.8Å; E127-E129 HydrophobicContact CB-CG 4.49Å; E127-E129 PolarHBondContact O-N 3.49Å; E127-Q736 PolarHBondContact OE1-NE2 2.99Å; E127-Q736 VanDerWaalsContact OE1-NE2 3.08Å
128	E	28.7	Very low	29.6	Very low	138 Å²	138	66.7 Å²	66.7	65%	0.645	33%	0.333	S	S	*	.			trans	-59.5	75.1	152.1	-76.7	-169	137	0	0	108.1
129	E	34	Very low	29.7	Very low	41 Å²	41	66.6 Å²	66.6	19%	0.192	33%	0.333	C	S	.	.			trans	-54.3	132.6	162.6	-77.9	-165.4	-178.7	0	0	105.6	E127 E131 K747	E127-E129 HydrophobicContact CB-CG 4.49Å; E127-E129 PolarHBondContact O-N 3.49Å; E129-E131 PolarHBondContact O-N 3.16Å; E129-K747 IonicContact OE1-NZ 3.85Å
130	P	28.5	Very low	29.9	Very low	35 Å²	35	67.6 Å²	67.6	23%	0.227	34%	0.335	C	S	.	.			trans	-62	105.4	-174.1	23.6	-32.7	0	0	0	109.3	L132 T740	P130-L132 PolarHBondContact O-N 3.17Å; P130-T740 HydrophobicContact CG-CG2 4.16Å
131	E	29.3	Very low	30.1	Very low	103 Å²	103	66.4 Å²	66.4	48%	0.481	34%	0.337	S	S	.	.			trans	-56.3	81.5	162.5	-76.2	180	-153.3	0	0	107.5	E129 M133 K690 M692	E129-E131 PolarHBondContact O-N 3.16Å; E131-M133 PolarHBondContact O-N 3.07Å; E131-K690 IonicContact OE1-NZ 3.01Å; E131-K690 PolarHBondContact OE1-NZ 3.27Å; E131-M692 HydrophobicContact CB-CG 4.44Å
132	L	27.9	Very low	30.4	Very low	45 Å²	45	69.5 Å²	69.5	24%	0.236	35%	0.348	C	S	.	.			trans	-59.5	105.1	167.1	-81.4	166.1	0	0	0	105.6	P130 E134	P130-L132 PolarHBondContact O-N 3.17Å; L132-E134 VanDerWaalsContact C-N 3.28Å; L132-E134 PolarHBondContact O-N 2.94Å
133	M	31.7	Very low	30.8	Very low	26 Å²	26	71.1 Å²	71.1	13%	0.128	35%	0.354	C	S	.	.			trans	-65.2	89.5	-177.5	-75	-154.3	-41.5	0	0	111	E131 V135 M692 V699	E131-M133 PolarHBondContact O-N 3.07Å; M133-V135 HydrophobicContact CB-CG2 4Å; M133-V135 HydrophobicContact CE-CG2 4.27Å; M133-V135 HydrophobicContact SD-CG2 4.38Å; M133-M692 HydrophobicContact CG-CB 3.92Å; M133-M692 HydrophobicContact CG-CG 4.25Å; M133-M692 HydrophobicContact CG-SD 4.02Å; M133-M692 HydrophobicContact SD-CB 4.41Å; M133-M692 HydrophobicContact SD-SD 4.02Å; M133-V699 HydrophobicContact CE-CB 3.84Å; M133-V699 HydrophobicContact CE-CG2 3.3Å; M133-V699 HydrophobicContact SD-CB 3.96Å; M133-V699 HydrophobicContact SD-CG1 4.16Å; M133-V699 HydrophobicContact SD-CG2 4.03Å
134	E	38.1	Very low	31.3	Very low	56 Å²	56	72.7 Å²	72.7	26%	0.262	36%	0.36	S	S	.	.			trans	-99	88.4	157.6	-73.3	-176	-140.9	0	0	107.7	L132 D136 L757 R764	L132-E134 VanDerWaalsContact C-N 3.28Å; L132-E134 PolarHBondContact O-N 2.94Å; E134-D136 PolarHBondContact O-N 3.49Å; E134-L757 WeakPolarHBondContact OE1-CD1 3.14Å; E134-L757 WeakPolarHBondContact OE2-CD1 3.22Å; E134-L757 WeakPolarHBondContact OE2-CD2 3.41Å; E134-R764 IonicContact OE1-CZ 2.64Å; E134-R764 IonicContact OE1-NH1 3.88Å; E134-R764 PolarHBondContact OE1-NH1 3.39Å; E134-R764 IonicContact OE1-NH2 2.72Å; E134-R764 PolarHBondContact OE1-NH2 2.88Å
135	V	32	Very low	31.8	Very low	41 Å²	41	70.3 Å²	70.3	25%	0.248	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	15.7	-166.7	-172.6	0	0	0	0	113.8	M133 Y980	M133-V135 HydrophobicContact CB-CG2 4Å; M133-V135 HydrophobicContact CE-CG2 4.27Å; M133-V135 HydrophobicContact SD-CG2 4.38Å; V135-Y980 HydrophobicContact CG1-CD2 3.77Å; V135-Y980 HydrophobicContact CG1-CE2 4.19Å; V135-Y980 VanDerWaalsContact O-CE2 3.27Å; V135-Y980 WeakPolarHBondContact O-CE2 3.44Å
136	D	33.4	Very low	32.4	Very low	12 Å²	12	66.4 Å²	66.4	6%	0.064	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-131.7	-9.2	-165.3	-96	-43.3	0	0	0	116.5	E134 N907 Y980	E134-D136 PolarHBondContact O-N 3.49Å; D136-N907 HydrophobicContact CB-CB 4.16Å; D136-N907 VanDerWaalsContact CB-O 3.26Å; D136-N907 WeakPolarHBondContact CB-O 3.45Å; D136-N907 PolarHBondContact OD1-ND2 2.87Å; D136-N907 PolarHBondContact OD2-ND2 3.18Å; D136-Y980 WeakPolarHBondContact OD1-CE2 3.46Å; D136-Y980 PolarHBondContact OD1-OH 2.97Å
137	E	35.4	Very low	33.4	Very low	25 Å²	25	66 Å²	66	12%	0.117	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.6	-40	-173.7	-64.1	-162.9	-173.4	0	0	118.3	R756 R906	E137-R756 IonicContact OE1-CZ 2.78Å; E137-R756 IonicContact OE1-NH1 3.96Å; E137-R756 PolarHBondContact OE1-NH1 3.4Å; E137-R756 IonicContact OE1-NH2 3.69Å; E137-R756 PolarHBondContact OE1-NH2 3.29Å; E137-R756 IonicContact OE2-CZ 3.52Å; E137-R756 IonicContact OE2-NH1 2.76Å; E137-R756 IonicContact OE2-NH2 2.79Å; E137-R756 PolarHBondContact OE2-NH2 2.89Å; E137-R906 VanDerWaalsContact CD-CD 3.46Å; E137-R906 VanDerWaalsContact OE1-CD 3.32Å; E137-R906 WeakPolarHBondContact OE1-CD 3.32Å; E137-R906 VanDerWaalsContact OE2-CD 3.25Å; E137-R906 WeakPolarHBondContact OE2-CD 3.32Å; E137-R906 IonicContact OE2-CZ 2.73Å; E137-R906 IonicContact OE2-NE 2.89Å; E137-R906 IonicContact OE2-NH1 2.66Å; E137-R906 PolarHBondContact OE2-NH1 3.47Å
138	E	28.1	Very low	35.1	Very low	104 Å²	104	66 Å²	66	49%	0.486	32%	0.322	S	S	.	.	H	α-helix	trans	-85.8	-36.9	178.8	-76.3	172.4	177.9	0	0	113	R140 T141 R750 R753	E138-R140 PolarHBondContact O-N 3.33Å; E138-R140 VanDerWaalsContact O-N 3.1Å; E138-T141 PolarHBondContact O-OG1 2.72Å; E138-R750 IonicContact OE1-CZ 3.82Å; E138-R750 IonicContact OE1-NH1 2.69Å; E138-R750 PolarHBondContact OE1-NH1 2.76Å; E138-R750 IonicContact OE1-NH2 2.78Å; E138-R753 IonicContact OE1-CZ 2.67Å; E138-R753 IonicContact OE1-NH1 2.84Å; E138-R753 PolarHBondContact OE1-NH1 3.2Å; E138-R753 IonicContact OE1-NH2 3.2Å; E138-R753 IonicContact OE2-NH1 3.09Å
139	D	28.6	Very low	37.7	Very low	110 Å²	110	59.7 Å²	59.7	59%	0.588	29%	0.292	S	S	*	.	H	α-helix	trans	-72.9	-0.4	-177	-127.6	-1.6	0	0	0	114.2
140	R	32.8	Very low	40.5	Very low	54 Å²	54	57.7 Å²	57.7	20%	0.204	28%	0.283	C	S	.	.	H	α-helix	trans	-118.6	-23.1	-175	-78.2	-179.5	170.2	-120.7	1.1	114.4	E138 H873	E138-R140 PolarHBondContact O-N 3.33Å; E138-R140 VanDerWaalsContact O-N 3.1Å; R140-H873 PolarHBondContact NH1-CE1 3.44Å; R140-H873 VanDerWaalsContact NH1-CE1 3.29Å; R140-H873 PolarHBondContact NH1-NE2 3.28Å
141	T	30	Very low	43.7	Very low	102 Å²	102	56 Å²	56	63%	0.626	27%	0.272	S	S	*	.	H	α-helix	trans	-76.6	-29.1	172.6	43.3	0	0	0	0	111.6	E138 K143 T904	E138-T141 PolarHBondContact O-OG1 2.72Å; T141-K143 PolarHBondContact O-N 3.17Å; T141-K143 VanDerWaalsContact O-N 3.14Å; T141-T904 HydrophobicContact CG2-CG2 4.4Å
142	K	29.9	Very low	47	Very low	193 Å²	193	51.1 Å²	51.1	84%	0.839	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.1	31	169.1	-70.8	-168.6	174	-174	0	114.3	K144	K142-K144 PolarHBondContact O-N 3.12Å; K142-K144 VanDerWaalsContact O-N 3.08Å
143	K	36.3	Very low	50.4	Low	106 Å²	106	49 Å²	49	46%	0.461	24%	0.238	S	C	.	.			trans	-82.2	79.2	174.6	-88.8	-168.9	162.7	-152.6	0	112.1	T141	T141-K143 PolarHBondContact O-N 3.17Å; T141-K143 VanDerWaalsContact O-N 3.14Å
144	K	37.8	Very low	53.6	Low	86 Å²	86	47.8 Å²	47.8	37%	0.374	23%	0.232	S	C	.	.			trans	-59.8	154.3	161.3	-66.7	-177	-179.3	175.8	0	110.6	K142 D499 I501 E502	K142-K144 PolarHBondContact O-N 3.12Å; K142-K144 VanDerWaalsContact O-N 3.08Å; K144-D499 WeakPolarHBondContact CD-OD2 3.42Å; K144-I501 HydrophobicContact CD-CG2 4.37Å; K144-E502 IonicContact NZ-OE1 3.56Å; K144-E502 PolarHBondContact NZ-OE1 3.49Å
145	S	36	Very low	56.5	Low	16 Å²	16	45.1 Å²	45.1	11%	0.112	22%	0.22	C	C	.	.			trans	-77.7	129.8	-173.9	147.8	0	0	0	0	112.2	E147 Q149	S145-E147 PolarHBondContact OG-N 3.3Å; S145-E147 PolarHBondContact OG-O 2.95Å; S145-E147 VanDerWaalsContact OG-O 3.11Å; S145-Q149 VanDerWaalsContact CB-OE1 3.3Å
146	S	41.1	Very low	59.6	Low	19 Å²	19	43.1 Å²	43.1	13%	0.133	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	6.5	173	48.3	0	0	0	0	115.1	K148 C966 E967 E973	S146-K148 PolarHBondContact O-N 2.98Å; S146-K148 VanDerWaalsContact O-N 3.1Å; S146-C966 VanDerWaalsContact C-CB 3.49Å; S146-C966 WeakPolarHBondContact OG-CB 3.13Å; S146-E967 WeakPolarHBondContact CB-O 3.4Å; S146-E973 PolarHBondContact OG-OE1 2.88Å; S146-E973 VanDerWaalsContact OG-OE1 3.12Å
147	E	50.8	Low	62.6	Low	41 Å²	41	42.8 Å²	42.8	19%	0.192	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	104.1	147.9	180	-174.6	157.4	0	0	103	S145 Q149 K962 C966	S145-E147 PolarHBondContact OG-N 3.3Å; S145-E147 PolarHBondContact OG-O 2.95Å; S145-E147 VanDerWaalsContact OG-O 3.11Å; E147-Q149 VanDerWaalsContact C-N 3.34Å; E147-Q149 WeakPolarHBondContact O-CA 3.44Å; E147-Q149 VanDerWaalsContact O-CG 3.24Å; E147-Q149 WeakPolarHBondContact O-CG 3.17Å; E147-Q149 PolarHBondContact O-N 3.08Å; E147-K962 IonicContact OE2-NZ 2.72Å; E147-K962 PolarHBondContact OE2-NZ 3.49Å; E147-C966 PolarHBondContact N-SG 3.38Å
148	K	66.2	Low	65.6	Low	32 Å²	32	41.7 Å²	41.7	14%	0.139	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45.7	100.3	-179.1	-70.3	-175.1	171.8	-172.6	0	109.8	D78 S80 S146	D78-K148 IonicContact OD1-NZ 2.72Å; D78-K148 PolarHBondContact OD1-NZ 2.69Å; D78-K148 WeakPolarHBondContact OD2-CD 3.41Å; D78-K148 IonicContact OD2-NZ 3.19Å; D78-K148 PolarHBondContact OD2-NZ 3.31Å; S80-K148 PolarHBondContact OG-NZ 2.86Å; S146-K148 PolarHBondContact O-N 2.98Å; S146-K148 VanDerWaalsContact O-N 3.1Å
149	Q	83.5	Confident	68.8	Low	6 Å²	6	36.8 Å²	36.8	3%	0.028	18%	0.179	C	C	.	.			trans	-67.1	150.2	-172.9	-64.4	-177.8	-111.6	0	0	108.5	S145 E147 G199 D216 P500	S145-Q149 VanDerWaalsContact CB-OE1 3.3Å; E147-Q149 VanDerWaalsContact C-N 3.34Å; E147-Q149 WeakPolarHBondContact O-CA 3.44Å; E147-Q149 VanDerWaalsContact O-CG 3.24Å; E147-Q149 WeakPolarHBondContact O-CG 3.17Å; E147-Q149 PolarHBondContact O-N 3.08Å; Q149-G199 PolarHBondContact NE2-O 2.84Å; Q149-D216 HydrophobicContact CB-CB 3.84Å; Q149-D216 PolarHBondContact NE2-OD1 3.17Å; Q149-P500 WeakPolarHBondContact O-CB 3.41Å; Q149-P500 WeakPolarHBondContact O-CG 3.34Å
150	A	93	Very high	72.1	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	128.3	165.9	0	0	0	0	0	106.9	D216 V217 F222 Q323 S324	A150-D216 CarbonylContact O-C 3.6Å; A150-D216 WeakPolarHBondContact O-CA 3.45Å; A150-V217 PolarHBondContact N-O 3.24Å; A150-V217 PolarHBondContact O-N 3.35Å; A150-F222 VanDerWaalsContact C-CE2 3.47Å; A150-F222 HydrophobicContact CB-CB 3.65Å; A150-F222 HydrophobicContact CB-CD1 3.54Å; A150-F222 HydrophobicContact CB-CD2 3.42Å; A150-F222 VanDerWaalsContact CB-CD2 3.42Å; A150-F222 HydrophobicContact CB-CE1 3.91Å; A150-F222 HydrophobicContact CB-CE2 3.81Å; A150-F222 HydrophobicContact CB-CG 3.25Å; A150-F222 HydrophobicContact CB-CZ 4.02Å; A150-Q323 CarbonylContact C-O 3.58Å; A150-Q323 VanDerWaalsContact CA-O 3.25Å; A150-Q323 WeakPolarHBondContact CA-O 3.21Å; A150-S324 WeakPolarHBondContact CB-OG 3.21Å
151	A	96.6	Very high	75.1	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	149.5	-171.6	0	0	0	0	0	110.6	F215 D216 F222 Q323 P500 I501 V504	A151-F215 CarbonylContact C-O 3.23Å; A151-F215 WeakPolarHBondContact CA-O 3.48Å; A151-F215 WeakPolarHBondContact CB-O 3.34Å; A151-D216 HydrophobicContact CB-CB 3.99Å; A151-F222 WeakPolarHBondContact O-CZ 3.33Å; A151-Q323 PolarHBondContact N-O 3.26Å; A151-Q323 PolarHBondContact O-N 3.17Å; A151-P500 HydrophobicContact CB-CB 3.77Å; A151-I501 HydrophobicContact CB-CB 4.42Å; A151-V504 HydrophobicContact CB-CG1 4.46Å; A151-V504 HydrophobicContact CB-CG2 3.85Å
152	A	98.4	Very high	78.3	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	144.5	171.9	0	0	0	0	0	111	Q214 F215 F222 L226 W229 A321 V322	A152-Q214 WeakPolarHBondContact O-CA 3.37Å; A152-F215 HydrophobicContact CB-CD1 4.42Å; A152-F215 HydrophobicContact CB-CE1 3.83Å; A152-F215 HydrophobicContact CB-CZ 4.21Å; A152-F215 PolarHBondContact N-O 3.44Å; A152-F215 PolarHBondContact O-N 2.97Å; A152-F222 HydrophobicContact CB-CE2 4.27Å; A152-F222 HydrophobicContact CB-CZ 4.17Å; A152-L226 HydrophobicContact CB-CD2 3.69Å; A152-W229 HydrophobicContact CB-CH2 4.31Å; A152-W229 HydrophobicContact CB-CZ3 4.12Å; A152-A321 VanDerWaalsContact CA-O 3.24Å; A152-A321 WeakPolarHBondContact CA-O 3.15Å; A152-V322 HydrophobicContact CB-CG2 4.36Å
153	A	98.6	Very high	81.4	Confident	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	143	173.8	0	0	0	0	0	111.3	F213 Q214 L320 A321 V504 C508	A153-F213 CarbonylContact C-O 3.58Å; A153-F213 WeakPolarHBondContact CA-O 3.25Å; A153-F213 WeakPolarHBondContact CB-O 3.47Å; A153-Q214 HydrophobicContact CB-CB 3.76Å; A153-L320 CarbonylContact O-C 3.55Å; A153-L320 WeakPolarHBondContact O-CA 3.08Å; A153-A321 PolarHBondContact N-O 3.23Å; A153-A321 PolarHBondContact O-N 2.85Å; A153-V504 HydrophobicContact CB-CB 4.01Å; A153-V504 HydrophobicContact CB-CG2 3.72Å; A153-C508 HydrophobicContact CB-CB 4.28Å; A153-C508 WeakPolarHBondContact O-CB 3.42Å
154	L	98.6	Very high	84.3	Confident	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	116.6	-178	-176.2	155.6	0	0	0	109.7	V156 F213 W229 F233 M318 T319 L320 F339 I342	L154-V156 HydrophobicContact CD2-CG2 3.65Å; L154-F213 PolarHBondContact N-O 2.63Å; L154-F213 PolarHBondContact O-N 3.28Å; L154-W229 HydrophobicContact CB-CH2 3.38Å; L154-W229 HydrophobicContact CB-CZ2 3.9Å; L154-W229 HydrophobicContact CB-CZ3 4.18Å; L154-F233 HydrophobicContact CB-CE2 4.47Å; L154-F233 HydrophobicContact CB-CZ 4.37Å; L154-F233 HydrophobicContact CD1-CD2 3.9Å; L154-F233 HydrophobicContact CD1-CE2 3.93Å; L154-F233 HydrophobicContact CD1-CG 4.26Å; L154-F233 HydrophobicContact CD1-CZ 4.32Å; L154-F233 HydrophobicContact CD2-CD1 4.13Å; L154-F233 HydrophobicContact CD2-CE1 3.84Å; L154-F233 HydrophobicContact CD2-CE2 4.44Å; L154-F233 HydrophobicContact CD2-CZ 4.01Å; L154-F233 HydrophobicContact CG-CZ 4.47Å; L154-M318 HydrophobicContact CD2-CB 4.14Å; L154-M318 HydrophobicContact CD2-CE 4.29Å; L154-M318 HydrophobicContact CD2-CG 3.9Å; L154-M318 HydrophobicContact CD2-SD 4.24Å; L154-M318 HydrophobicContact CG-CB 4.4Å; L154-T319 CarbonylContact C-O 3.59Å; L154-T319 VanDerWaalsContact CA-O 3.26Å; L154-T319 WeakPolarHBondContact CA-O 3.09Å; L154-L320 HydrophobicContact CB-CD1 4.17Å; L154-L320 HydrophobicContact CD1-CD1 4.45Å; L154-F339 HydrophobicContact CD1-CD1 4.47Å; L154-F339 HydrophobicContact CD1-CE1 4.37Å; L154-I342 HydrophobicContact CD1-CD1 4.37Å
155	C	98.4	Very high	86.8	Confident	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	116.5	173.1	178.9	0	0	0	0	109.6	V212 M318 T319 C508 Q512	C155-V212 HydrophobicContact CB-CG2 3.93Å; C155-M318 WeakPolarHBondContact O-CA 3.47Å; C155-T319 PolarHBondContact N-O 3.48Å; C155-T319 PolarHBondContact O-N 2.97Å; C155-T319 PolarHBondContact O-OG1 3.48Å; C155-C508 HydrophobicContact CB-CB 4.34Å; C155-C508 VanDerWaalsContact CB-SG 3.59Å; C155-Q512 HydrophobicContact CB-CG 4.32Å; C155-Q512 PolarHBondContact O-NE2 2.87Å
156	V	98.3	Very high	89.6	Confident	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	122.6	166.3	-169.9	0	0	0	0	107.7	L154 V158 R210 T211 F213 Y313 M318	L154-V156 HydrophobicContact CD2-CG2 3.65Å; V156-V158 HydrophobicContact CG1-CB 4.25Å; V156-V158 HydrophobicContact CG1-CG2 4.43Å; V156-V158 PolarHBondContact O-N 3.23Å; V156-R210 CarbonylContact O-C 3.55Å; V156-R210 WeakPolarHBondContact O-CA 3.36Å; V156-T211 PolarHBondContact N-O 3.14Å; V156-T211 PolarHBondContact O-N 3.14Å; V156-F213 HydrophobicContact CG2-CE2 4.25Å; V156-Y313 HydrophobicContact CG1-CD2 4.19Å; V156-Y313 HydrophobicContact CG1-CE2 4.3Å; V156-Y313 HydrophobicContact CG2-CE1 4.43Å; V156-M318 HydrophobicContact CG1-CE 4.33Å; V156-M318 HydrophobicContact CG1-CG 4.38Å; V156-M318 HydrophobicContact CG2-CE 3.83Å; V156-M318 HydrophobicContact CG2-CG 4.23Å
157	G	96.9	Very high	92.2	Very high	4 Å²	4	16.3 Å²	16.3	4%	0.041	9%	0.089	C	C	.	.	S	Bend	trans	-72.3	43.9	175.8	0	0	0	0	0	114.5	E209 Y317 Q349	G157-E209 CarbonylContact C-O 3.54Å; G157-Y317 PolarHBondContact N-O 2.94Å; G157-Q349 WeakPolarHBondContact O-CG 3.47Å; G157-Q349 PolarHBondContact O-NE2 3.17Å
158	V	97.1	Very high	94.3	Very high	3 Å²	3	15.4 Å²	15.4	2%	0.018	9%	0.086	C	C	.	.			trans	-147.2	124.2	175	-177	0	0	0	0	108.9	V156 S162 E209 R210 T211 F308 N312 Y317 P350	V156-V158 HydrophobicContact CG1-CB 4.25Å; V156-V158 HydrophobicContact CG1-CG2 4.43Å; V156-V158 PolarHBondContact O-N 3.23Å; V158-S162 WeakPolarHBondContact CG1-OG 3.33Å; V158-E209 CarbonylContact C-O 3.56Å; V158-E209 WeakPolarHBondContact CA-O 3.19Å; V158-E209 PolarHBondContact N-O 3.35Å; V158-E209 VanDerWaalsContact N-O 3.12Å; V158-R210 CarbonylContact O-C 3.57Å; V158-T211 PolarHBondContact O-N 2.96Å; V158-T211 PolarHBondContact O-OG1 2.96Å; V158-F308 HydrophobicContact CG1-CZ 4.34Å; V158-N312 HydrophobicContact CB-CB 4.2Å; V158-N312 HydrophobicContact CG1-CB 3.88Å; V158-N312 HydrophobicContact CG2-CB 4.02Å; V158-Y317 HydrophobicContact CG2-CD2 4.12Å; V158-P350 HydrophobicContact CG1-CG 4.44Å; V158-P350 HydrophobicContact CG2-CG 4Å
159	G	96.4	Very high	95.7	Very high	1 Å²	1	13.9 Å²	13.9	1%	0.01	8%	0.08	C	C	.	.			trans	-128.2	-157.8	172.2	0	0	0	0	0	113.2	F161 S162 D207 C208 E209 R210	G159-F161 PolarHBondContact O-N 2.87Å; G159-F161 VanDerWaalsContact O-N 3.11Å; G159-S162 WeakPolarHBondContact O-CB 3.5Å; G159-S162 PolarHBondContact O-N 2.99Å; G159-D207 CarbonylContact C-O 3.58Å; G159-D207 WeakPolarHBondContact CA-O 3.37Å; G159-C208 CarbonylContact C-O 3.56Å; G159-C208 VanDerWaalsContact C-O 3.22Å; G159-C208 WeakPolarHBondContact CA-O 3.25Å; G159-E209 VanDerWaalsContact N-C 3.3Å; G159-E209 PolarHBondContact N-O 3.14Å; G159-R210 WeakPolarHBondContact CA-O 3.08Å
160	S	96.3	Very high	96.3	Very high	5 Å²	5	13.6 Å²	13.6	4%	0.035	8%	0.078	C	C	.	.	G	3₁₀ helix	trans	-59.2	-23.1	-172.4	64.6	0	0	0	0	115.2	S162 D163 D207 C208	S160-S162 PolarHBondContact O-N 3.29Å; S160-S162 VanDerWaalsContact O-N 3.09Å; S160-D163 VanDerWaalsContact O-CB 3.26Å; S160-D163 WeakPolarHBondContact O-CB 3.13Å; S160-D163 PolarHBondContact O-N 3.31Å; S160-D207 PolarHBondContact N-O 2.95Å; S160-D207 PolarHBondContact OG-O 3Å; S160-C208 PolarHBondContact N-O 3.45Å
161	F	96.6	Very high	96.5	Very high	4 Å²	4	13.7 Å²	13.7	2%	0.018	8%	0.079	C	C	.	.	G	3₁₀ helix	trans	-59.3	-24	172.3	-79.9	11.2	0	0	0	112.6	G159 C208 E209 P278 M279 K281 F352	G159-F161 PolarHBondContact O-N 2.87Å; G159-F161 VanDerWaalsContact O-N 3.11Å; F161-C208 WeakPolarHBondContact CB-O 3.28Å; F161-C208 HydrophobicContact CD1-CB 3.67Å; F161-C208 HydrophobicContact CD2-CB 4.3Å; F161-C208 HydrophobicContact CE1-CB 3.5Å; F161-C208 WeakPolarHBondContact CE1-SG 3.29Å; F161-C208 HydrophobicContact CE2-CB 4.14Å; F161-C208 HydrophobicContact CG-CB 4.09Å; F161-C208 WeakPolarHBondContact CG-O 3.43Å; F161-C208 HydrophobicContact CZ-CB 3.75Å; F161-C208 PolarHBondContact N-O 2.89Å; F161-E209 HydrophobicContact CD2-CG 3.77Å; F161-E209 HydrophobicContact CE2-CG 4.28Å; F161-E209 HydrophobicContact CG-CG 4.41Å; F161-P278 HydrophobicContact CB-CB 3.67Å; F161-P278 HydrophobicContact CB-CG 4.15Å; F161-P278 HydrophobicContact CD1-CB 3.81Å; F161-P278 HydrophobicContact CD1-CG 4.32Å; F161-P278 HydrophobicContact CD2-CB 3.98Å; F161-P278 HydrophobicContact CD2-CG 3.66Å; F161-P278 HydrophobicContact CE1-CB 4.4Å; F161-P278 HydrophobicContact CE2-CG 4.06Å; F161-P278 HydrophobicContact CG-CB 3.55Å; F161-P278 HydrophobicContact CG-CG 3.8Å; F161-M279 HydrophobicContact CE1-SD 4.35Å; F161-M279 HydrophobicContact CZ-CB 4.42Å; F161-M279 HydrophobicContact CZ-SD 4.3Å; F161-K281 PolarHBondContact O-NZ 3.22Å; F161-F352 HydrophobicContact CB-CD2 4.21Å; F161-F352 HydrophobicContact CB-CE1 4.31Å; F161-F352 HydrophobicContact CB-CE2 3.73Å; F161-F352 HydrophobicContact CB-CZ 3.78Å; F161-F352 HydrophobicContact CD2-CD2 4.24Å; F161-F352 HydrophobicContact CD2-CG 4.41Å
162	S	96.6	Very high	96.5	Very high	25 Å²	25	14.3 Å²	14.3	18%	0.175	8%	0.082	C	C	.	.	G	3₁₀ helix	trans	-84.7	-3.5	176.6	-66	0	0	0	0	114.9	V158 G159 S160 F308	V158-S162 WeakPolarHBondContact CG1-OG 3.33Å; G159-S162 WeakPolarHBondContact O-CB 3.5Å; G159-S162 PolarHBondContact O-N 2.99Å; S160-S162 PolarHBondContact O-N 3.29Å; S160-S162 VanDerWaalsContact O-N 3.09Å; S162-F308 WeakPolarHBondContact O-CE2 3.13Å
163	D	96.8	Very high	96.4	Very high	4 Å²	4	14.3 Å²	14.3	2%	0.021	8%	0.082	C	C	.	.			trans	-55	143.5	-179.3	-82.2	-13	0	0	0	112.9	S160 G169 L170 A171 K281	S160-D163 VanDerWaalsContact O-CB 3.26Å; S160-D163 WeakPolarHBondContact O-CB 3.13Å; S160-D163 PolarHBondContact O-N 3.31Å; D163-G169 WeakPolarHBondContact OD2-CA 3.2Å; D163-G169 PolarHBondContact OD2-N 3.44Å; D163-L170 PolarHBondContact OD1-N 2.89Å; D163-L170 PolarHBondContact OD2-N 2.94Å; D163-A171 WeakPolarHBondContact OD1-CB 3.33Å; D163-A171 PolarHBondContact OD1-N 3.44Å; D163-K281 HydrophobicContact CB-CD 4.25Å; D163-K281 PolarHBondContact O-NZ 3.28Å
164	P	95.3	Very high	96.3	Very high	19 Å²	19	14.3 Å²	14.3	12%	0.123	8%	0.082	C	C	.	.			trans	-65.5	136.2	167.8	-19.4	34	0	0	0	111.7	D166 L167 L170	P164-D166 WeakPolarHBondContact CB-OD1 3.18Å; P164-D166 PolarHBondContact O-N 3.24Å; P164-L167 HydrophobicContact CB-CB 4.31Å; P164-L167 HydrophobicContact CG-CB 4.44Å; P164-L167 CarbonylContact O-C 3.5Å; P164-L167 PolarHBondContact O-N 3Å; P164-L170 HydrophobicContact CG-CD2 3.63Å
165	D	92	Very high	96.1	Very high	141 Å²	141	14.6 Å²	14.6	75%	0.754	8%	0.083	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-18.7	177.4	-54.2	-31.9	0	0	0	113.5	K281	D165-K281 WeakPolarHBondContact OD1-CE 3.44Å; D165-K281 IonicContact OD1-NZ 3.94Å
166	D	93.6	Very high	95.9	Very high	57 Å²	57	14.6 Å²	14.6	31%	0.305	8%	0.083	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-10.5	176	68	-33.4	0	0	0	114.6	P164 I299 R304	P164-D166 WeakPolarHBondContact CB-OD1 3.18Å; P164-D166 PolarHBondContact O-N 3.24Å; D166-I299 HydrophobicContact CB-CD1 3.86Å; D166-I299 WeakPolarHBondContact OD2-CD1 3.3Å; D166-R304 IonicContact OD1-NH2 2.89Å
167	L	95.7	Very high	95.6	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.083	C	C	.	.	S	Bend	trans	-142.1	72.7	178.8	-65.6	172.3	0	0	0	111.2	P164 L170 P294 I299 T301 R304	P164-L167 HydrophobicContact CB-CB 4.31Å; P164-L167 HydrophobicContact CG-CB 4.44Å; P164-L167 CarbonylContact O-C 3.5Å; P164-L167 PolarHBondContact O-N 3Å; L167-L170 HydrophobicContact CB-CB 4.28Å; L167-L170 HydrophobicContact CB-CD2 4.29Å; L167-L170 HydrophobicContact CD1-CD1 4.36Å; L167-L170 HydrophobicContact CD1-CD2 4.01Å; L167-L170 WeakPolarHBondContact O-CB 3.32Å; L167-P294 HydrophobicContact CD2-CB 3.99Å; L167-P294 HydrophobicContact CD2-CG 3.31Å; L167-I299 HydrophobicContact CD1-CG2 4.16Å; L167-I299 HydrophobicContact CD2-CG2 4.35Å; L167-I299 HydrophobicContact CG-CG2 4.38Å; L167-T301 HydrophobicContact CD2-CG2 4.23Å; L167-R304 HydrophobicContact CD1-CB 3.42Å; L167-R304 VanDerWaalsContact CD1-CB 3.42Å; L167-R304 HydrophobicContact CD1-CG 3.75Å
168	P	94.8	Very high	95.4	Very high	22 Å²	22	14.4 Å²	14.4	14%	0.143	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	141	170.3	-16.5	31	0	0	0	111.2	F282 T289	P168-F282 CarbonylContact C-O 3.58Å; P168-F282 HydrophobicContact CB-CB 4.02Å; P168-F282 HydrophobicContact CB-CD1 4.35Å; P168-F282 VanDerWaalsContact CB-O 3.25Å; P168-F282 WeakPolarHBondContact CB-O 3.46Å; P168-T289 HydrophobicContact CB-CG2 4.44Å; P168-T289 HydrophobicContact CG-CG2 4.32Å
169	G	95.5	Very high	95.1	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.1	19.7	-174.1	0	0	0	0	0	114.5	D163 F173 F282 C283	D163-G169 WeakPolarHBondContact OD2-CA 3.2Å; D163-G169 PolarHBondContact OD2-N 3.44Å; G169-F173 WeakPolarHBondContact O-CB 3.3Å; G169-F173 PolarHBondContact O-N 2.9Å; G169-F282 PolarHBondContact N-O 3.29Å; G169-C283 WeakPolarHBondContact CA-O 3.49Å
170	L	96.9	Very high	94.6	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-79.4	-27.7	-177.3	-168.8	66.8	0	0	0	113	D163 P164 L167 F173 L174 L290 T301 R304 L305 F308	D163-L170 PolarHBondContact OD1-N 2.89Å; D163-L170 PolarHBondContact OD2-N 2.94Å; P164-L170 HydrophobicContact CG-CD2 3.63Å; L167-L170 HydrophobicContact CB-CB 4.28Å; L167-L170 HydrophobicContact CB-CD2 4.29Å; L167-L170 HydrophobicContact CD1-CD1 4.36Å; L167-L170 HydrophobicContact CD1-CD2 4.01Å; L167-L170 WeakPolarHBondContact O-CB 3.32Å; L170-F173 HydrophobicContact CD1-CD1 4.33Å; L170-L174 WeakPolarHBondContact O-CB 3.15Å; L170-L174 PolarHBondContact O-N 2.97Å; L170-L290 HydrophobicContact CD1-CD2 4.47Å; L170-T301 HydrophobicContact CD1-CG2 4.47Å; L170-R304 HydrophobicContact CD2-CB 4.47Å; L170-L305 HydrophobicContact CD1-CB 4.31Å; L170-L305 HydrophobicContact CD1-CD1 3.7Å; L170-L305 HydrophobicContact CG-CD1 4.33Å; L170-F308 HydrophobicContact CD2-CB 4.06Å; L170-F308 HydrophobicContact CD2-CD2 3.98Å; L170-F308 HydrophobicContact CD2-CG 4.22Å; L170-F308 HydrophobicContact CG-CD2 4.47Å
171	A	97.1	Very high	94.2	Very high	2 Å²	2	15.1 Å²	15.1	2%	0.017	9%	0.085	C	C	.	.	H	α-helix	trans	-65.7	-52.2	171.5	0	0	0	0	0	110.6	D163 F173 L174 E175 T206 F308	D163-A171 WeakPolarHBondContact OD1-CB 3.33Å; D163-A171 PolarHBondContact OD1-N 3.44Å; A171-F173 PolarHBondContact O-N 3.02Å; A171-L174 WeakPolarHBondContact O-CA 3.38Å; A171-L174 WeakPolarHBondContact O-CB 3.38Å; A171-L174 PolarHBondContact O-N 3.3Å; A171-E175 PolarHBondContact O-N 2.64Å; A171-E175 VanDerWaalsContact O-N 3.12Å; A171-T206 HydrophobicContact CB-CG2 3.81Å; A171-F308 HydrophobicContact CB-CE1 4.23Å; A171-F308 HydrophobicContact CB-CZ 3.89Å
172	H	96.6	Very high	94	Very high	13 Å²	13	15.1 Å²	15.1	6%	0.06	9%	0.085	C	C	.	.	H	α-helix	trans	-61.3	-44.4	176.2	-177.8	-143.7	0	0	0	111.6	L174 E175 H176 T206 E253 W284	H172-L174 PolarHBondContact O-N 2.78Å; H172-E175 IonicContact CD2-OE2 3.39Å; H172-E175 WeakPolarHBondContact O-CB 3.39Å; H172-E175 PolarHBondContact O-N 3.26Å; H172-H176 AromaticContact CD2-CD2 3.98Å; H172-H176 AromaticContact CD2-NE2 3.82Å; H172-H176 AromaticContact CE1-NE2 3.78Å; H172-H176 AromaticContact NE2-CD2 3.79Å; H172-H176 AromaticContact NE2-NE2 3.16Å; H172-H176 PolarHBondContact NE2-NE2 3.2Å; H172-H176 VanDerWaalsContact NE2-NE2 3.16Å; H172-H176 PolarHBondContact O-N 3.44Å; H172-T206 HydrophobicContact CB-CG2 4.31Å; H172-E253 IonicContact CE1-OE1 3.97Å; H172-E253 PolarHBondContact CE1-OE1 2.92Å; H172-E253 VanDerWaalsContact CE1-OE1 3.29Å; H172-E253 IonicContact CE1-OE2 2.69Å; H172-E253 PolarHBondContact CE1-OE2 3.4Å; H172-E253 IonicContact NE2-OE1 3.45Å; H172-E253 IonicContact NE2-OE2 2.73Å; H172-W284 PolarHBondContact ND1-O 3.03Å
173	F	96	Very high	93.8	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-66	-20.8	174	-175.8	-125	0	0	0	114.2	G169 L170 A171 M177 V243 E246 V247 V250 L290 T301 L305	G169-F173 WeakPolarHBondContact O-CB 3.3Å; G169-F173 PolarHBondContact O-N 2.9Å; L170-F173 HydrophobicContact CD1-CD1 4.33Å; A171-F173 PolarHBondContact O-N 3.02Å; F173-M177 HydrophobicContact CD1-CG 4.42Å; F173-M177 HydrophobicContact CD2-CG 4Å; F173-M177 HydrophobicContact CE1-CG 3.97Å; F173-M177 HydrophobicContact CE2-CG 3.48Å; F173-M177 VanDerWaalsContact CE2-CG 3.48Å; F173-M177 HydrophobicContact CE2-SD 3.84Å; F173-M177 HydrophobicContact CG-CG 4.42Å; F173-M177 HydrophobicContact CZ-CG 3.45Å; F173-M177 VanDerWaalsContact CZ-CG 3.45Å; F173-M177 HydrophobicContact CZ-SD 3.66Å; F173-M177 VanDerWaalsContact O-CB 3.27Å; F173-M177 WeakPolarHBondContact O-CB 3.39Å; F173-M177 WeakPolarHBondContact O-CG 3.4Å; F173-M177 PolarHBondContact O-N 3.42Å; F173-V243 HydrophobicContact CE1-CG1 4.21Å; F173-V243 HydrophobicContact CZ-CB 4.28Å; F173-V243 HydrophobicContact CZ-CG1 3.95Å; F173-V243 HydrophobicContact CZ-CG2 4.14Å; F173-E246 HydrophobicContact CE2-CB 3.83Å; F173-V247 HydrophobicContact CD1-CG2 4.46Å; F173-V247 HydrophobicContact CD2-CG2 4.06Å; F173-V247 HydrophobicContact CE1-CG2 3.93Å; F173-V247 HydrophobicContact CE2-CB 4.48Å; F173-V247 HydrophobicContact CE2-CG2 3.47Å; F173-V247 VanDerWaalsContact CE2-CG2 3.47Å; F173-V247 HydrophobicContact CZ-CG2 3.41Å; F173-V247 VanDerWaalsContact CZ-CG2 3.41Å; F173-V250 HydrophobicContact CD2-CG2 4.2Å; F173-L290 HydrophobicContact CB-CD1 3.73Å; F173-L290 HydrophobicContact CB-CD2 4.17Å; F173-L290 HydrophobicContact CD1-CD1 4.36Å; F173-L290 HydrophobicContact CD1-CD2 4.27Å; F173-L290 HydrophobicContact CD2-CD1 4.25Å; F173-L290 HydrophobicContact CG-CD1 3.85Å; F173-L290 HydrophobicContact CG-CD2 4.41Å; F173-T301 HydrophobicContact CE1-CG2 4.42Å; F173-L305 HydrophobicContact CD1-CD1 3.93Å; F173-L305 HydrophobicContact CD1-CD2 4.45Å; F173-L305 HydrophobicContact CE1-CD1 4.35Å; F173-L305 HydrophobicContact CE1-CD2 4.05Å
174	L	96.3	Very high	93.6	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-77.4	-31.1	171.1	179.5	60.5	0	0	0	112.2	L170 A171 H172 M177 V178 M238 L305 F308 W309 Y313	L170-L174 WeakPolarHBondContact O-CB 3.15Å; L170-L174 PolarHBondContact O-N 2.97Å; A171-L174 WeakPolarHBondContact O-CA 3.38Å; A171-L174 WeakPolarHBondContact O-CB 3.38Å; A171-L174 PolarHBondContact O-N 3.3Å; H172-L174 PolarHBondContact O-N 2.78Å; L174-M177 PolarHBondContact O-N 2.87Å; L174-V178 HydrophobicContact CD1-CG1 3.92Å; L174-V178 HydrophobicContact CG-CG1 4.36Å; L174-V178 WeakPolarHBondContact O-CG1 3.29Å; L174-V178 PolarHBondContact O-N 2.87Å; L174-M238 HydrophobicContact CD1-CE 4.3Å; L174-M238 HydrophobicContact CD1-SD 3.87Å; L174-L305 HydrophobicContact CB-CD1 3.77Å; L174-L305 HydrophobicContact CD1-CD1 3.94Å; L174-L305 HydrophobicContact CD1-CG 4.1Å; L174-L305 HydrophobicContact CG-CD1 4.42Å; L174-F308 HydrophobicContact CD2-CD1 3.64Å; L174-F308 HydrophobicContact CD2-CE1 4.18Å; L174-W309 HydrophobicContact CD1-CB 3.95Å; L174-W309 HydrophobicContact CD1-CG 4.36Å; L174-W309 HydrophobicContact CD2-CB 3.72Å; L174-W309 HydrophobicContact CD2-CG 4.33Å; L174-Y313 HydrophobicContact CD2-CD2 3.85Å; L174-Y313 HydrophobicContact CD2-CE1 4.4Å; L174-Y313 HydrophobicContact CD2-CE2 3.5Å; L174-Y313 HydrophobicContact CD2-CG 4.47Å; L174-Y313 HydrophobicContact CG-CE2 4.25Å
175	E	95.8	Very high	93.5	Very high	6 Å²	6	26.1 Å²	26.1	3%	0.028	13%	0.13	C	C	.	.	H	α-helix	trans	-56.8	-56.8	174.4	-169.9	-169.6	118.9	0	0	110.7	A171 H172 M177 V178 F179 A204 S205 T206 T211 F213	A171-E175 PolarHBondContact O-N 2.64Å; A171-E175 VanDerWaalsContact O-N 3.12Å; H172-E175 IonicContact CD2-OE2 3.39Å; H172-E175 WeakPolarHBondContact O-CB 3.39Å; H172-E175 PolarHBondContact O-N 3.26Å; E175-M177 VanDerWaalsContact C-N 3.33Å; E175-M177 PolarHBondContact O-N 3.02Å; E175-V178 WeakPolarHBondContact O-CG2 3.45Å; E175-V178 PolarHBondContact O-N 2.82Å; E175-F179 WeakPolarHBondContact O-CD2 3.37Å; E175-F179 WeakPolarHBondContact O-CE2 3.22Å; E175-A204 HydrophobicContact CG-CB 3.45Å; E175-A204 VanDerWaalsContact CG-CB 3.45Å; E175-A204 VanDerWaalsContact OE1-C 3.29Å; E175-A204 WeakPolarHBondContact OE1-CB 3.42Å; E175-S205 PolarHBondContact OE1-N 3.28Å; E175-T206 WeakPolarHBondContact OE2-CA 3.38Å; E175-T206 WeakPolarHBondContact OE2-CB 3.43Å; E175-T206 PolarHBondContact OE2-N 2.86Å; E175-T206 PolarHBondContact OE2-OG1 3.3Å; E175-T211 HydrophobicContact CB-CG2 4.39Å; E175-T211 HydrophobicContact CG-CG2 4.09Å; E175-F213 HydrophobicContact CB-CE1 4.44Å; E175-F213 HydrophobicContact CB-CZ 4.34Å; E175-F213 HydrophobicContact CG-CE1 3.77Å; E175-F213 HydrophobicContact CG-CZ 3.96Å
176	H	92.6	Very high	93.4	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.005	12%	0.122	C	C	.	.	H	α-helix	trans	-56	-47.4	175.2	-68.3	-145	0	0	0	111	E112 H172 V178 F179 V250 E253	E112-H176 IonicContact OE1-CE1 2.72Å; E112-H176 IonicContact OE1-CG 2.89Å; E112-H176 IonicContact OE1-ND1 3.42Å; E112-H176 IonicContact OE1-NE2 2.83Å; E112-H176 IonicContact OE2-CE1 2.6Å; H172-H176 AromaticContact CD2-CD2 3.98Å; H172-H176 AromaticContact CD2-NE2 3.82Å; H172-H176 AromaticContact CE1-NE2 3.78Å; H172-H176 AromaticContact NE2-CD2 3.79Å; H172-H176 AromaticContact NE2-NE2 3.16Å; H172-H176 PolarHBondContact NE2-NE2 3.2Å; H172-H176 VanDerWaalsContact NE2-NE2 3.16Å; H172-H176 PolarHBondContact O-N 3.44Å; H176-V178 VanDerWaalsContact C-N 3.26Å; H176-V178 PolarHBondContact O-N 2.8Å; H176-V178 VanDerWaalsContact O-N 3.14Å; H176-F179 PolarHBondContact O-N 3Å; H176-V250 WeakPolarHBondContact ND1-CG2 3.24Å; H176-E253 IonicContact CE1-OE2 2.81Å; H176-E253 IonicContact NE2-OE2 2.78Å
177	M	93	Very high	93	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-72.9	-4	-173.3	-73	-67.6	-29.7	0	0	116	F173 L174 E175 M180 M238 A242 V243 E246 L305	F173-M177 HydrophobicContact CD1-CG 4.42Å; F173-M177 HydrophobicContact CD2-CG 4Å; F173-M177 HydrophobicContact CE1-CG 3.97Å; F173-M177 HydrophobicContact CE2-CG 3.48Å; F173-M177 VanDerWaalsContact CE2-CG 3.48Å; F173-M177 HydrophobicContact CE2-SD 3.84Å; F173-M177 HydrophobicContact CG-CG 4.42Å; F173-M177 HydrophobicContact CZ-CG 3.45Å; F173-M177 VanDerWaalsContact CZ-CG 3.45Å; F173-M177 HydrophobicContact CZ-SD 3.66Å; F173-M177 VanDerWaalsContact O-CB 3.27Å; F173-M177 WeakPolarHBondContact O-CB 3.39Å; F173-M177 WeakPolarHBondContact O-CG 3.4Å; F173-M177 PolarHBondContact O-N 3.42Å; L174-M177 PolarHBondContact O-N 2.87Å; E175-M177 VanDerWaalsContact C-N 3.33Å; E175-M177 PolarHBondContact O-N 3.02Å; M177-M180 HydrophobicContact CE-CB 4.1Å; M177-M180 HydrophobicContact CE-CG 4Å; M177-M180 HydrophobicContact SD-CG 4.28Å; M177-M238 HydrophobicContact CB-CG 4.31Å; M177-M238 HydrophobicContact CE-CB 4.1Å; M177-M238 HydrophobicContact CE-CG 4.47Å; M177-M238 WeakPolarHBondContact O-CG 3.42Å; M177-A242 HydrophobicContact CE-CB 4.23Å; M177-V243 HydrophobicContact CE-CG2 3.58Å; M177-V243 HydrophobicContact SD-CB 4.36Å; M177-V243 HydrophobicContact SD-CG2 3.61Å; M177-E246 HydrophobicContact SD-CB 3.88Å; M177-E246 HydrophobicContact SD-CG 3.94Å; M177-L305 HydrophobicContact CB-CD2 3.91Å; M177-L305 HydrophobicContact CG-CD2 3.86Å
178	V	93.3	Very high	92.3	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-90.6	-17.7	171.5	-67.4	0	0	0	0	114	L174 E175 H176 F213 F232 P236 Y313	L174-V178 HydrophobicContact CD1-CG1 3.92Å; L174-V178 HydrophobicContact CG-CG1 4.36Å; L174-V178 WeakPolarHBondContact O-CG1 3.29Å; L174-V178 PolarHBondContact O-N 2.87Å; E175-V178 WeakPolarHBondContact O-CG2 3.45Å; E175-V178 PolarHBondContact O-N 2.82Å; H176-V178 VanDerWaalsContact C-N 3.26Å; H176-V178 PolarHBondContact O-N 2.8Å; H176-V178 VanDerWaalsContact O-N 3.14Å; V178-F213 HydrophobicContact CG2-CD1 4.46Å; V178-F213 HydrophobicContact CG2-CE1 3.47Å; V178-F213 VanDerWaalsContact CG2-CE1 3.47Å; V178-F213 HydrophobicContact CG2-CZ 3.71Å; V178-F232 HydrophobicContact CB-CB 3.96Å; V178-F232 HydrophobicContact CB-CG 4.24Å; V178-F232 HydrophobicContact CG2-CB 4.12Å; V178-F232 HydrophobicContact CG2-CD2 4.12Å; V178-F232 HydrophobicContact CG2-CG 4.28Å; V178-F232 WeakPolarHBondContact O-CD1 3.31Å; V178-F232 WeakPolarHBondContact O-CE1 3.36Å; V178-F232 WeakPolarHBondContact O-CG 3.39Å; V178-P236 HydrophobicContact CB-CB 4.37Å; V178-P236 HydrophobicContact CG1-CB 4.15Å; V178-P236 HydrophobicContact CG1-CG 4.03Å; V178-Y313 HydrophobicContact CG1-CE1 4.26Å
179	F	89.1	Confident	91.5	Very high	17 Å²	17	23.2 Å²	23.2	8%	0.075	12%	0.123	C	C	.	.	H	α-helix	trans	-67.4	-41.6	171.5	-69.1	-95.4	0	0	0	111.2	E175 H176 G181 D202 A204 F213 F232	E175-F179 WeakPolarHBondContact O-CD2 3.37Å; E175-F179 WeakPolarHBondContact O-CE2 3.22Å; H176-F179 PolarHBondContact O-N 3Å; F179-G181 PolarHBondContact O-N 2.91Å; F179-D202 VanDerWaalsContact CE1-OD2 3.28Å; F179-D202 WeakPolarHBondContact CE1-OD2 3.48Å; F179-A204 HydrophobicContact CE2-CB 4.09Å; F179-A204 HydrophobicContact CZ-CB 4.02Å; F179-F213 HydrophobicContact CE2-CD1 4.04Å; F179-F213 AromaticContact CE2-CE1 3.92Å; F179-F213 HydrophobicContact CE2-CE1 3.92Å; F179-F213 HydrophobicContact CZ-CD1 4.05Å; F179-F213 HydrophobicContact CZ-CE1 4.41Å; F179-F232 HydrophobicContact CB-CZ 4.37Å; F179-F232 AromaticContact CD1-CE2 3.57Å; F179-F232 HydrophobicContact CD1-CE2 3.57Å; F179-F232 AromaticContact CD1-CZ 3.67Å; F179-F232 HydrophobicContact CD1-CZ 3.67Å; F179-F232 HydrophobicContact CD2-CE2 4.42Å; F179-F232 AromaticContact CE1-CE2 3.65Å; F179-F232 HydrophobicContact CE1-CE2 3.65Å; F179-F232 HydrophobicContact CE1-CZ 4.15Å; F179-F232 HydrophobicContact CE2-CE2 4.49Å; F179-F232 AromaticContact CG-CE2 3.98Å; F179-F232 HydrophobicContact CG-CE2 3.98Å; F179-F232 HydrophobicContact CG-CZ 4.1Å; F179-F232 HydrophobicContact CZ-CE2 4.12Å
180	M	87.1	Confident	91.1	Very high	3 Å²	3	25.3 Å²	25.3	2%	0.015	14%	0.135	C	C	.	.	S	Bend	trans	-58	57	-178.9	-48.5	-72.9	138	0	0	116.1	E109 M177 A242 E246	E109-M180 WeakPolarHBondContact OE1-CE 3.32Å; E109-M180 VanDerWaalsContact OE2-CE 3.24Å; E109-M180 WeakPolarHBondContact OE2-CE 3.29Å; M177-M180 HydrophobicContact CE-CB 4.1Å; M177-M180 HydrophobicContact CE-CG 4Å; M177-M180 HydrophobicContact SD-CG 4.28Å; M180-A242 HydrophobicContact CB-CB 4.45Å; M180-A242 HydrophobicContact CG-CB 4.46Å; M180-A242 HydrophobicContact SD-CB 4.38Å; M180-E246 VanDerWaalsContact CE-CD 3.46Å; M180-E246 HydrophobicContact CE-CG 3.64Å; M180-E246 HydrophobicContact CG-CG 4.06Å; M180-E246 HydrophobicContact SD-CG 3.55Å; M180-E246 VanDerWaalsContact SD-CG 3.55Å
181	G	87.1	Confident	90.8	Very high	4 Å²	4	25.7 Å²	25.7	4%	0.041	14%	0.136	C	C	.	.			trans	73.8	157	173.9	0	0	0	0	0	116.8	F179 A187 E188 L237	F179-G181 PolarHBondContact O-N 2.91Å; G181-A187 WeakPolarHBondContact CA-O 3.48Å; G181-E188 PolarHBondContact N-O 2.9Å; G181-L237 PolarHBondContact O-N 2.67Å
182	S	92.5	Very high	90.1	Very high	4 Å²	4	26 Å²	26	3%	0.028	14%	0.138	C	C	.	.	B	Isolated β-bridge	trans	-136.4	165.5	-178.4	72.4	0	0	0	0	113.2	K184 F185 P186 Q231	S182-K184 PolarHBondContact O-N 3.04Å; S182-K184 VanDerWaalsContact O-N 3.13Å; S182-F185 PolarHBondContact N-O 2.71Å; S182-F185 CarbonylContact O-C 3.6Å; S182-F185 VanDerWaalsContact O-C 3.23Å; S182-F185 PolarHBondContact O-N 3.29Å; S182-F185 VanDerWaalsContact O-O 3.09Å; S182-F185 PolarHBondContact OG-N 2.79Å; S182-F185 PolarHBondContact OG-O 3.4Å; S182-P186 VanDerWaalsContact O-CA 3.3Å; S182-P186 WeakPolarHBondContact O-CA 3.34Å; S182-Q231 VanDerWaalsContact CB-CB 3.42Å; S182-Q231 WeakPolarHBondContact OG-CB 3.32Å
183	E	92.6	Very high	89.4	Confident	146 Å²	146	26.6 Å²	26.6	68%	0.682	15%	0.145	S	C	*	.	S	Bend	trans	-60.6	-24.2	179.9	-174.7	171.3	-166.7	0	0	113.3	C235	E183-C235 HydrophobicContact CB-CB 4.13Å; E183-C235 PolarHBondContact N-O 2.76Å; E183-C235 PolarHBondContact OE2-SG 3.48Å
184	K	93.8	Very high	89	Confident	99 Å²	99	27.5 Å²	27.5	43%	0.43	15%	0.149	S	C	.	.	S	Bend	trans	-96.6	-31	179.5	-176.7	176.3	170.2	179.1	0	113.4	S182 D227 Q231	S182-K184 PolarHBondContact O-N 3.04Å; S182-K184 VanDerWaalsContact O-N 3.13Å; K184-D227 IonicContact NZ-OD1 3.78Å; K184-D227 PolarHBondContact NZ-OD1 3.08Å; K184-D227 IonicContact NZ-OD2 3.68Å; K184-D227 PolarHBondContact NZ-OD2 3.32Å; K184-Q231 HydrophobicContact CB-CG 4.16Å; K184-Q231 HydrophobicContact CD-CG 4.46Å
185	F	93	Very high	88.5	Confident	34 Å²	34	27.5 Å²	27.5	15%	0.149	15%	0.149	C	C	.	.	S	Bend	trans	-130.2	91.1	178.9	-58.1	-80.4	0	0	0	107.5	S182 D190 R228 Q231	S182-F185 PolarHBondContact N-O 2.71Å; S182-F185 CarbonylContact O-C 3.6Å; S182-F185 VanDerWaalsContact O-C 3.23Å; S182-F185 PolarHBondContact O-N 3.29Å; S182-F185 VanDerWaalsContact O-O 3.09Å; S182-F185 PolarHBondContact OG-N 2.79Å; S182-F185 PolarHBondContact OG-O 3.4Å; F185-D190 HydrophobicContact CB-CB 4.28Å; F185-D190 WeakPolarHBondContact CB-OD2 3.46Å; F185-D190 WeakPolarHBondContact CD1-OD2 3.43Å; F185-R228 HydrophobicContact CD1-CG 3.95Å; F185-R228 HydrophobicContact CD2-CB 4.24Å; F185-R228 HydrophobicContact CD2-CG 3.77Å; F185-R228 HydrophobicContact CE1-CG 3.79Å; F185-R228 HydrophobicContact CE2-CB 4.17Å; F185-R228 HydrophobicContact CE2-CG 3.6Å; F185-R228 HydrophobicContact CG-CG 3.94Å; F185-R228 HydrophobicContact CZ-CG 3.61Å; F185-Q231 HydrophobicContact CD2-CG 3.83Å; F185-Q231 HydrophobicContact CE2-CG 4.05Å
186	P	88.4	Confident	87.6	Confident	91 Å²	91	29.5 Å²	29.5	59%	0.591	16%	0.157	S	C	*	.			trans	-90.9	-13.4	-160.6	34	-37.1	0	0	0	116.1	S182 L237	S182-P186 VanDerWaalsContact O-CA 3.3Å; S182-P186 WeakPolarHBondContact O-CA 3.34Å; P186-L237 HydrophobicContact CB-CD1 4.03Å
187	A	85.4	Confident	86.8	Confident	41 Å²	41	36.5 Å²	36.5	34%	0.339	18%	0.184	S	C	.	.	S	Bend	trans	-65.3	146	169.3	0	0	0	0	0	109.4	G181 D190	G181-A187 WeakPolarHBondContact CA-O 3.48Å; A187-D190 HydrophobicContact CB-CB 4.34Å
188	E	81.7	Confident	86.2	Confident	16 Å²	16	37.7 Å²	37.7	8%	0.075	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-39.6	-172.1	-61.5	-174.8	169.5	0	0	110.7	D107 G181 R245	D107-E188 HydrophobicContact CB-CB 4.33Å; D107-E188 WeakPolarHBondContact OD1-CB 3.36Å; D107-E188 PolarHBondContact OD1-N 3.09Å; G181-E188 PolarHBondContact N-O 2.9Å; E188-R245 IonicContact OE1-NH2 2.72Å; E188-R245 PolarHBondContact OE1-NH2 3.34Å; E188-R245 IonicContact OE2-CZ 3.15Å; E188-R245 IonicContact OE2-NH1 2.9Å; E188-R245 PolarHBondContact OE2-NH1 2.77Å; E188-R245 IonicContact OE2-NH2 3.4Å; E188-R245 PolarHBondContact OE2-NH2 2.95Å
189	N	78.4	Confident	85.1	Confident	10 Å²	10	39 Å²	39	5%	0.053	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95	7	-176.1	76	-37.3	0	0	0	116.4	D106 D108 E109 F191 D192 A193	D106-N189 PolarHBondContact O-OD1 2.98Å; D108-N189 VanDerWaalsContact C-CB 3.42Å; D108-N189 WeakPolarHBondContact CA-ND2 3.37Å; D108-N189 PolarHBondContact N-ND2 2.89Å; D108-N189 VanDerWaalsContact O-CB 3.27Å; D108-N189 WeakPolarHBondContact O-CB 3.3Å; D108-N189 PolarHBondContact O-ND2 3.04Å; E109-N189 HydrophobicContact CB-CB 4.48Å; E109-N189 HydrophobicContact CG-CB 3.6Å; N189-F191 PolarHBondContact O-N 3.42Å; N189-D192 PolarHBondContact O-N 2.81Å; N189-A193 WeakPolarHBondContact O-CB 3.21Å; N189-A193 PolarHBondContact O-N 2.61Å
190	D	86.8	Confident	84.8	Confident	45 Å²	45	38.8 Å²	38.8	24%	0.241	21%	0.205	C	C	.	.	H	α-helix	trans	-55.2	-33.9	-166.8	178.3	82.7	0	0	0	113	F185 A187 F194 R228	F185-D190 HydrophobicContact CB-CB 4.28Å; F185-D190 WeakPolarHBondContact CB-OD2 3.46Å; F185-D190 WeakPolarHBondContact CD1-OD2 3.43Å; A187-D190 HydrophobicContact CB-CB 4.34Å; D190-F194 WeakPolarHBondContact O-CB 3.21Å; D190-F194 PolarHBondContact O-N 2.86Å; D190-F194 VanDerWaalsContact O-N 3.13Å; D190-R228 IonicContact OD1-NE 3.57Å; D190-R228 WeakPolarHBondContact OD2-CD 3.48Å; D190-R228 IonicContact OD2-CZ 2.68Å; D190-R228 IonicContact OD2-NE 3.86Å; D190-R228 PolarHBondContact OD2-NE 3.42Å
191	F	89.4	Confident	84.6	Confident	7 Å²	7	40.8 Å²	40.8	3%	0.031	22%	0.22	C	C	.	.	H	α-helix	trans	-73.9	-54.7	179.5	-173.4	-117.4	0	0	0	112.6	N189 A193 F194 L195 D202 F215 A225 R228 W229 F232	N189-F191 PolarHBondContact O-N 3.42Å; F191-A193 PolarHBondContact O-N 2.82Å; F191-F194 WeakPolarHBondContact O-CB 3.34Å; F191-F194 PolarHBondContact O-N 3.01Å; F191-F194 VanDerWaalsContact O-N 3.13Å; F191-L195 HydrophobicContact CD1-CD1 4.03Å; F191-L195 HydrophobicContact CD2-CG 4.46Å; F191-L195 HydrophobicContact CE1-CD1 3.46Å; F191-L195 VanDerWaalsContact CE1-CD1 3.46Å; F191-L195 HydrophobicContact CE1-CG 4.27Å; F191-L195 HydrophobicContact CE2-CD1 4.1Å; F191-L195 HydrophobicContact CE2-CD2 4.19Å; F191-L195 HydrophobicContact CE2-CG 4.09Å; F191-L195 HydrophobicContact CZ-CD1 3.52Å; F191-L195 HydrophobicContact CZ-CD2 4.21Å; F191-L195 HydrophobicContact CZ-CG 4.01Å; F191-L195 WeakPolarHBondContact O-CG 3.43Å; F191-L195 PolarHBondContact O-N 3.19Å; F191-D202 HydrophobicContact CE1-CB 4.06Å; F191-F215 HydrophobicContact CE1-CB 4.24Å; F191-F215 HydrophobicContact CZ-CB 3.86Å; F191-F215 AromaticContact CZ-CD1 3.83Å; F191-F215 HydrophobicContact CZ-CD1 3.83Å; F191-F215 HydrophobicContact CZ-CD2 4.2Å; F191-F215 HydrophobicContact CZ-CE1 4.42Å; F191-F215 AromaticContact CZ-CG 3.7Å; F191-F215 HydrophobicContact CZ-CG 3.7Å; F191-A225 HydrophobicContact CE2-CB 4.4Å; F191-R228 HydrophobicContact CD2-CB 3.75Å; F191-R228 HydrophobicContact CE2-CB 4.34Å; F191-W229 HydrophobicContact CD2-CB 4.32Å; F191-W229 HydrophobicContact CE1-CB 4.43Å; F191-W229 AromaticContact CE1-CD1 3.64Å; F191-W229 HydrophobicContact CE1-CG 4.37Å; F191-W229 HydrophobicContact CE2-CB 3.61Å; F191-W229 HydrophobicContact CE2-CG 4.32Å; F191-W229 HydrophobicContact CZ-CB 3.65Å; F191-W229 AromaticContact CZ-CD1 3.56Å; F191-W229 AromaticContact CZ-CG 3.86Å; F191-W229 HydrophobicContact CZ-CG 3.86Å; F191-F232 HydrophobicContact CB-CE1 4.32Å; F191-F232 HydrophobicContact CB-CZ 4.05Å; F191-F232 HydrophobicContact CD1-CE2 4.19Å; F191-F232 AromaticContact CD1-CZ 3.64Å; F191-F232 HydrophobicContact CD1-CZ 3.64Å; F191-F232 HydrophobicContact CE1-CE2 4.47Å; F191-F232 HydrophobicContact CE1-CZ 4.31Å; F191-F232 HydrophobicContact CG-CE1 4.48Å; F191-F232 AromaticContact CG-CZ 3.95Å; F191-F232 HydrophobicContact CG-CZ 3.95Å
192	D	83.8	Confident	84.8	Confident	9 Å²	9	42.5 Å²	42.5	5%	0.048	23%	0.228	C	C	.	.	H	α-helix	trans	-52.2	-50.7	175.7	-71	37.1	0	0	0	112.3	E110 N189 F194 L195 K196	E110-D192 PolarHBondContact N-OD2 3.4Å; N189-D192 PolarHBondContact O-N 2.81Å; D192-F194 VanDerWaalsContact C-N 3.31Å; D192-F194 PolarHBondContact O-N 3.23Å; D192-L195 PolarHBondContact O-N 3.13Å; D192-K196 WeakPolarHBondContact O-CG 3.14Å; D192-K196 PolarHBondContact O-N 3.27Å; D192-K196 IonicContact OD2-NZ 3.26Å
193	A	80.9	Confident	84.7	Confident	25 Å²	25	44.3 Å²	44.3	21%	0.207	24%	0.237	C	C	.	.	H	α-helix	trans	-65.1	-37.3	179.9	0	0	0	0	0	111.2	N189 F191 R197	N189-A193 WeakPolarHBondContact O-CB 3.21Å; N189-A193 PolarHBondContact O-N 2.61Å; F191-A193 PolarHBondContact O-N 2.82Å; A193-R197 WeakPolarHBondContact O-CB 3.47Å; A193-R197 PolarHBondContact O-N 3.35Å; A193-R197 VanDerWaalsContact O-N 3.13Å
194	F	87.2	Confident	84.7	Confident	19 Å²	19	37.7 Å²	37.7	8%	0.083	21%	0.207	C	C	.	.	H	α-helix	trans	-64	-44.1	172.9	-177.6	-87.8	0	0	0	112.1	D190 F191 D192 H198 F221 E224 A225 R228	D190-F194 WeakPolarHBondContact O-CB 3.21Å; D190-F194 PolarHBondContact O-N 2.86Å; D190-F194 VanDerWaalsContact O-N 3.13Å; F191-F194 WeakPolarHBondContact O-CB 3.34Å; F191-F194 PolarHBondContact O-N 3.01Å; F191-F194 VanDerWaalsContact O-N 3.13Å; D192-F194 VanDerWaalsContact C-N 3.31Å; D192-F194 PolarHBondContact O-N 3.23Å; F194-H198 AromaticContact CD1-ND1 3.88Å; F194-H198 AromaticContact CD2-CE1 3.67Å; F194-H198 AromaticContact CD2-ND1 3.7Å; F194-H198 AromaticContact CE1-ND1 3.75Å; F194-H198 AromaticContact CE2-CE1 3.45Å; F194-H198 VanDerWaalsContact CE2-CE1 3.45Å; F194-H198 WeakPolarHBondContact CE2-CE1 3.27Å; F194-H198 AromaticContact CE2-ND1 3.59Å; F194-H198 AromaticContact CG-ND1 3.85Å; F194-H198 AromaticContact CZ-CE1 3.86Å; F194-H198 AromaticContact CZ-ND1 3.61Å; F194-H198 PolarHBondContact O-N 2.79Å; F194-H198 PolarHBondContact O-ND1 3.31Å; F194-F221 HydrophobicContact CE1-CB 4.02Å; F194-F221 HydrophobicContact CZ-CB 3.84Å; F194-F221 HydrophobicContact CZ-CD1 4.29Å; F194-F221 HydrophobicContact CZ-CG 4.44Å; F194-E224 HydrophobicContact CE1-CB 4.42Å; F194-E224 HydrophobicContact CE2-CB 4.35Å; F194-E224 HydrophobicContact CE2-CG 4.5Å; F194-E224 WeakPolarHBondContact CE2-OE1 3.22Å; F194-E224 HydrophobicContact CZ-CB 3.74Å; F194-E224 HydrophobicContact CZ-CG 4.36Å; F194-A225 HydrophobicContact CD1-CB 4.4Å; F194-A225 HydrophobicContact CE1-CB 3.98Å; F194-R228 VanDerWaalsContact CD2-NH1 3.32Å
195	L	86.2	Confident	84.7	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-65.4	-53.2	179.8	-71.1	-177.4	0	0	0	111.5	F191 D192 R197 H198 G199 G200 D202 F215 V217 A225	F191-L195 HydrophobicContact CD1-CD1 4.03Å; F191-L195 HydrophobicContact CD2-CG 4.46Å; F191-L195 HydrophobicContact CE1-CD1 3.46Å; F191-L195 VanDerWaalsContact CE1-CD1 3.46Å; F191-L195 HydrophobicContact CE1-CG 4.27Å; F191-L195 HydrophobicContact CE2-CD1 4.1Å; F191-L195 HydrophobicContact CE2-CD2 4.19Å; F191-L195 HydrophobicContact CE2-CG 4.09Å; F191-L195 HydrophobicContact CZ-CD1 3.52Å; F191-L195 HydrophobicContact CZ-CD2 4.21Å; F191-L195 HydrophobicContact CZ-CG 4.01Å; F191-L195 WeakPolarHBondContact O-CG 3.43Å; F191-L195 PolarHBondContact O-N 3.19Å; D192-L195 PolarHBondContact O-N 3.13Å; L195-R197 VanDerWaalsContact C-N 3.33Å; L195-R197 PolarHBondContact O-N 3.2Å; L195-H198 CarbonylContact O-C 3.57Å; L195-H198 VanDerWaalsContact O-C 3.26Å; L195-H198 WeakPolarHBondContact O-CA 3.47Å; L195-H198 PolarHBondContact O-N 2.82Å; L195-G199 PolarHBondContact O-N 3.41Å; L195-G200 CarbonylContact C-O 3.46Å; L195-G200 PolarHBondContact O-N 2.82Å; L195-D202 HydrophobicContact CD1-CB 3.62Å; L195-D202 WeakPolarHBondContact CD1-OD1 3.42Å; L195-F215 HydrophobicContact CD1-CB 3.93Å; L195-F215 HydrophobicContact CD2-CD2 3.86Å; L195-F215 HydrophobicContact CD2-CE2 4.49Å; L195-V217 HydrophobicContact CD2-CB 3.87Å; L195-V217 HydrophobicContact CD2-CG2 4.04Å; L195-A225 HydrophobicContact CD2-CB 4.25Å
196	K	77.4	Confident	84.8	Confident	48 Å²	48	34.3 Å²	34.3	21%	0.209	20%	0.199	C	C	.	.	H	α-helix	trans	-58.3	-43.4	-179.1	-67.1	-175.3	-167.5	96.4	0	112.4	E110 D192 H198 G199 E885	E110-K196 HydrophobicContact CG-CD 4.31Å; E110-K196 WeakPolarHBondContact O-CE 3.5Å; E110-K196 PolarHBondContact O-NZ 3.44Å; D192-K196 WeakPolarHBondContact O-CG 3.14Å; D192-K196 PolarHBondContact O-N 3.27Å; D192-K196 IonicContact OD2-NZ 3.26Å; K196-H198 PolarHBondContact O-N 3.48Å; K196-H198 VanDerWaalsContact O-N 3.16Å; K196-G199 PolarHBondContact O-N 2.7Å; K196-G199 VanDerWaalsContact O-N 3.09Å; K196-E885 HydrophobicContact CD-CB 3.85Å; K196-E885 HydrophobicContact CD-CG 4.29Å
197	R	76.1	Confident	85.1	Confident	148 Å²	148	31.6 Å²	31.6	56%	0.558	18%	0.179	S	C	*	.	H	α-helix	trans	-59.8	-25.9	175.4	-176.3	173.9	-179.8	177	1.1	113.4	A193 L195	A193-R197 WeakPolarHBondContact O-CB 3.47Å; A193-R197 PolarHBondContact O-N 3.35Å; A193-R197 VanDerWaalsContact O-N 3.13Å; L195-R197 VanDerWaalsContact C-N 3.33Å; L195-R197 PolarHBondContact O-N 3.2Å
198	H	79.1	Confident	85.5	Confident	26 Å²	26	30.1 Å²	30.1	12%	0.12	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.2	17.8	179.3	-58.4	112.2	0	0	0	113.2	F194 L195 K196 G200 V217 Q218 F221	F194-H198 AromaticContact CD1-ND1 3.88Å; F194-H198 AromaticContact CD2-CE1 3.67Å; F194-H198 AromaticContact CD2-ND1 3.7Å; F194-H198 AromaticContact CE1-ND1 3.75Å; F194-H198 AromaticContact CE2-CE1 3.45Å; F194-H198 VanDerWaalsContact CE2-CE1 3.45Å; F194-H198 WeakPolarHBondContact CE2-CE1 3.27Å; F194-H198 AromaticContact CE2-ND1 3.59Å; F194-H198 AromaticContact CG-ND1 3.85Å; F194-H198 AromaticContact CZ-CE1 3.86Å; F194-H198 AromaticContact CZ-ND1 3.61Å; F194-H198 PolarHBondContact O-N 2.79Å; F194-H198 PolarHBondContact O-ND1 3.31Å; L195-H198 CarbonylContact O-C 3.57Å; L195-H198 VanDerWaalsContact O-C 3.26Å; L195-H198 WeakPolarHBondContact O-CA 3.47Å; L195-H198 PolarHBondContact O-N 2.82Å; K196-H198 PolarHBondContact O-N 3.48Å; K196-H198 VanDerWaalsContact O-N 3.16Å; H198-G200 VanDerWaalsContact C-N 3.31Å; H198-G200 PolarHBondContact O-N 2.66Å; H198-V217 HydrophobicContact CB-CG2 3.79Å; H198-Q218 VanDerWaalsContact O-CD 3.3Å; H198-Q218 VanDerWaalsContact O-CG 3.25Å; H198-Q218 WeakPolarHBondContact O-CG 3.46Å; H198-Q218 PolarHBondContact O-NE2 2.96Å; H198-F221 HydrophobicContact CB-CB 4.3Å; H198-F221 HydrophobicContact CB-CD2 3.75Å; H198-F221 HydrophobicContact CB-CE2 4.25Å; H198-F221 HydrophobicContact CB-CG 4.03Å; H198-F221 AromaticContact CD2-CD1 3.61Å; H198-F221 AromaticContact CD2-CD2 3.6Å; H198-F221 AromaticContact CD2-CE1 3.44Å; H198-F221 VanDerWaalsContact CD2-CE1 3.44Å; H198-F221 WeakPolarHBondContact CD2-CE1 3.38Å; H198-F221 AromaticContact CD2-CE2 3.42Å; H198-F221 VanDerWaalsContact CD2-CE2 3.42Å; H198-F221 WeakPolarHBondContact CD2-CE2 3.38Å; H198-F221 AromaticContact CD2-CG 3.69Å; H198-F221 AromaticContact CD2-CZ 3.33Å; H198-F221 WeakPolarHBondContact CD2-CZ 3.36Å; H198-F221 AromaticContact CG-CD1 3.95Å; H198-F221 AromaticContact CG-CD2 3.73Å; H198-F221 AromaticContact CG-CG 3.69Å; H198-F221 AromaticContact NE2-CD1 3.73Å; H198-F221 AromaticContact NE2-CE1 3.46Å; H198-F221 WeakPolarHBondContact NE2-CE1 3.35Å; H198-F221 AromaticContact NE2-CZ 3.78Å
199	G	71.9	Confident	86.2	Confident	28 Å²	28	31.2 Å²	31.2	29%	0.289	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.1	35.3	176.8	0	0	0	0	0	113.7	Q149 L195 K196	Q149-G199 PolarHBondContact NE2-O 2.84Å; L195-G199 PolarHBondContact O-N 3.41Å; K196-G199 PolarHBondContact O-N 2.7Å; K196-G199 VanDerWaalsContact O-N 3.09Å
200	G	81.9	Confident	87	Confident	11 Å²	11	32.2 Å²	32.2	11%	0.113	18%	0.175	C	C	.	.			trans	-108.4	169.9	172.8	0	0	0	0	0	112.7	L195 H198 D216	L195-G200 CarbonylContact C-O 3.46Å; L195-G200 PolarHBondContact O-N 2.82Å; H198-G200 VanDerWaalsContact C-N 3.31Å; H198-G200 PolarHBondContact O-N 2.66Å; G200-D216 CarbonylContact C-O 3.56Å; G200-D216 WeakPolarHBondContact CA-O 3.45Å
201	S	84.1	Confident	87.6	Confident	46 Å²	46	30.1 Å²	30.1	32%	0.322	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	163	179.2	64.6	0	0	0	0	111.2	F215 D216	S201-F215 CarbonylContact O-C 3.59Å; S201-F215 WeakPolarHBondContact O-CA 3.22Å; S201-F215 WeakPolarHBondContact O-CB 3.26Å; S201-D216 PolarHBondContact N-O 2.83Å; S201-D216 VanDerWaalsContact N-O 3.13Å; S201-D216 PolarHBondContact N-OD1 3.13Å; S201-D216 PolarHBondContact O-N 3Å; S201-D216 PolarHBondContact OG-OD1 3.48Å; S201-D216 PolarHBondContact OG-OD2 2.98Å
202	D	90.1	Very high	88	Confident	40 Å²	40	29.8 Å²	29.8	21%	0.214	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	164.1	178.9	64.2	-80.8	0	0	0	111.7	F179 F191 L195 Q214 F215	F179-D202 VanDerWaalsContact CE1-OD2 3.28Å; F179-D202 WeakPolarHBondContact CE1-OD2 3.48Å; F191-D202 HydrophobicContact CE1-CB 4.06Å; L195-D202 HydrophobicContact CD1-CB 3.62Å; L195-D202 WeakPolarHBondContact CD1-OD1 3.42Å; D202-Q214 VanDerWaalsContact CA-O 3.26Å; D202-Q214 WeakPolarHBondContact CA-O 3.32Å; D202-Q214 VanDerWaalsContact CB-O 3.31Å; D202-Q214 WeakPolarHBondContact CB-O 3.3Å; D202-F215 HydrophobicContact CB-CB 3.75Å
203	N	90.5	Very high	88.7	Confident	41 Å²	41	29.4 Å²	29.4	22%	0.219	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	169.1	170	-154.3	-0.6	0	0	0	110.9	S113 Q214	S113-N203 PolarHBondContact O-ND2 3.44Å; N203-Q214 HydrophobicContact CB-CG 4.35Å; N203-Q214 PolarHBondContact N-O 2.77Å; N203-Q214 WeakPolarHBondContact O-CG 3.34Å; N203-Q214 PolarHBondContact O-N 2.86Å
204	A	93.3	Very high	89.4	Confident	7 Å²	7	28.9 Å²	28.9	6%	0.058	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	166	171.2	0	0	0	0	0	112.3	E175 F179 V212 F213	E175-A204 HydrophobicContact CG-CB 3.45Å; E175-A204 VanDerWaalsContact CG-CB 3.45Å; E175-A204 VanDerWaalsContact OE1-C 3.29Å; E175-A204 WeakPolarHBondContact OE1-CB 3.42Å; F179-A204 HydrophobicContact CE2-CB 4.09Å; F179-A204 HydrophobicContact CZ-CB 4.02Å; A204-V212 CarbonylContact C-O 3.54Å; A204-V212 WeakPolarHBondContact CA-O 3.33Å; A204-V212 WeakPolarHBondContact CB-O 3.28Å; A204-F213 HydrophobicContact CB-CD1 3.65Å; A204-F213 HydrophobicContact CB-CE1 3.99Å; A204-F213 HydrophobicContact CB-CG 4.28Å
205	S	93.9	Very high	89.9	Confident	31 Å²	31	28 Å²	28	22%	0.217	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	141.4	176.5	66.1	0	0	0	0	112.7	E175 T211 V212	E175-S205 PolarHBondContact OE1-N 3.28Å; S205-T211 CarbonylContact O-C 3.26Å; S205-T211 VanDerWaalsContact O-CA 3.22Å; S205-T211 WeakPolarHBondContact O-CA 3.26Å; S205-T211 WeakPolarHBondContact O-CG2 3.35Å; S205-V212 PolarHBondContact N-O 2.92Å; S205-V212 PolarHBondContact O-N 3.22Å
206	T	95.3	Very high	90.2	Very high	31 Å²	31	28 Å²	28	19%	0.19	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	109.1	176	-75.1	0	0	0	0	111.7	A171 H172 E175 T211	A171-T206 HydrophobicContact CB-CG2 3.81Å; H172-T206 HydrophobicContact CB-CG2 4.31Å; E175-T206 WeakPolarHBondContact OE2-CA 3.38Å; E175-T206 WeakPolarHBondContact OE2-CB 3.43Å; E175-T206 PolarHBondContact OE2-N 2.86Å; E175-T206 PolarHBondContact OE2-OG1 3.3Å; T206-T211 WeakPolarHBondContact OG1-CG2 3.42Å; T206-T211 PolarHBondContact OG1-OG1 2.89Å
207	D	93.3	Very high	90.8	Very high	34 Å²	34	25.7 Å²	25.7	18%	0.182	14%	0.14	C	C	.	.			trans	-90.7	-173	175.1	179.6	27.4	0	0	0	111	G159 S160 R210 G433	G159-D207 CarbonylContact C-O 3.58Å; G159-D207 WeakPolarHBondContact CA-O 3.37Å; S160-D207 PolarHBondContact N-O 2.95Å; S160-D207 PolarHBondContact OG-O 3Å; D207-R210 CarbonylContact C-O 3.57Å; D207-R210 HydrophobicContact CB-CB 4.36Å; D207-R210 PolarHBondContact N-O 3.31Å; D207-R210 IonicContact OD2-CZ 3.68Å; D207-R210 VanDerWaalsContact OD2-CZ 3.3Å; D207-R210 IonicContact OD2-NE 2.86Å; D207-R210 PolarHBondContact OD2-NE 3.48Å; D207-R210 IonicContact OD2-NH2 2.7Å; D207-R210 PolarHBondContact OD2-NH2 2.93Å; D207-G433 WeakPolarHBondContact OD1-CA 3.48Å; D207-G433 PolarHBondContact OD1-N 2.61Å; D207-G433 VanDerWaalsContact OD1-N 3.09Å; D207-G433 VanDerWaalsContact OD2-CA 3.29Å; D207-G433 WeakPolarHBondContact OD2-CA 3.23Å; D207-G433 PolarHBondContact OD2-N 3.49Å
208	C	95.1	Very high	91.3	Very high	11 Å²	11	19.5 Å²	19.5	7%	0.074	12%	0.117	C	C	.	.	S	Bend	trans	-62.9	-51.1	177.5	-69.6	0	0	0	0	112.8	G159 S160 F161 G433	G159-C208 CarbonylContact C-O 3.56Å; G159-C208 VanDerWaalsContact C-O 3.22Å; G159-C208 WeakPolarHBondContact CA-O 3.25Å; S160-C208 PolarHBondContact N-O 3.45Å; F161-C208 WeakPolarHBondContact CB-O 3.28Å; F161-C208 HydrophobicContact CD1-CB 3.67Å; F161-C208 HydrophobicContact CD2-CB 4.3Å; F161-C208 HydrophobicContact CE1-CB 3.5Å; F161-C208 WeakPolarHBondContact CE1-SG 3.29Å; F161-C208 HydrophobicContact CE2-CB 4.14Å; F161-C208 HydrophobicContact CG-CB 4.09Å; F161-C208 WeakPolarHBondContact CG-O 3.43Å; F161-C208 HydrophobicContact CZ-CB 3.75Å; F161-C208 PolarHBondContact N-O 2.89Å; C208-G433 WeakPolarHBondContact CB-O 3.18Å; C208-G433 VanDerWaalsContact SG-C 3.55Å; C208-G433 PolarHBondContact SG-O 2.89Å
209	E	95.8	Very high	91.7	Very high	39 Å²	39	22.4 Å²	22.4	18%	0.182	13%	0.127	C	C	.	.	S	Bend	trans	-114.7	-1.1	-174.7	-63	-168.4	138.1	0	0	113.7	G157 V158 G159 F161 F352 N437 S438	G157-E209 CarbonylContact C-O 3.54Å; V158-E209 CarbonylContact C-O 3.56Å; V158-E209 WeakPolarHBondContact CA-O 3.19Å; V158-E209 PolarHBondContact N-O 3.35Å; V158-E209 VanDerWaalsContact N-O 3.12Å; G159-E209 VanDerWaalsContact N-C 3.3Å; G159-E209 PolarHBondContact N-O 3.14Å; F161-E209 HydrophobicContact CD2-CG 3.77Å; F161-E209 HydrophobicContact CE2-CG 4.28Å; F161-E209 HydrophobicContact CG-CG 4.41Å; E209-F352 HydrophobicContact CG-CD2 4.36Å; E209-F352 WeakPolarHBondContact OE1-CD2 3.19Å; E209-N437 HydrophobicContact CG-CB 4.39Å; E209-N437 WeakPolarHBondContact OE2-CB 3.21Å; E209-S438 WeakPolarHBondContact OE1-CB 3.16Å; E209-S438 PolarHBondContact OE1-OG 2.72Å; E209-S438 VanDerWaalsContact OE2-CB 3.29Å; E209-S438 WeakPolarHBondContact OE2-CB 3.49Å; E209-S438 PolarHBondContact OE2-N 3.1Å; E209-S438 PolarHBondContact OE2-OG 2.82Å
210	R	95.9	Very high	92.5	Very high	30 Å²	30	29.4 Å²	29.4	11%	0.113	15%	0.149	C	C	.	.			trans	-135.6	154.8	-175.2	-63.4	167.8	-72.2	-165.9	1.3	111.5	V156 V158 G159 D207 E509	V156-R210 CarbonylContact O-C 3.55Å; V156-R210 WeakPolarHBondContact O-CA 3.36Å; V158-R210 CarbonylContact O-C 3.57Å; G159-R210 WeakPolarHBondContact CA-O 3.08Å; D207-R210 CarbonylContact C-O 3.57Å; D207-R210 HydrophobicContact CB-CB 4.36Å; D207-R210 PolarHBondContact N-O 3.31Å; D207-R210 IonicContact OD2-CZ 3.68Å; D207-R210 VanDerWaalsContact OD2-CZ 3.3Å; D207-R210 IonicContact OD2-NE 2.86Å; D207-R210 PolarHBondContact OD2-NE 3.48Å; D207-R210 IonicContact OD2-NH2 2.7Å; D207-R210 PolarHBondContact OD2-NH2 2.93Å; R210-E509 WeakPolarHBondContact CD-OE2 3.32Å; R210-E509 IonicContact CZ-OE2 3.89Å; R210-E509 IonicContact NE-OE2 2.89Å; R210-E509 PolarHBondContact NE-OE2 3.25Å; R210-E509 IonicContact NH1-OE2 2.65Å; R210-E509 PolarHBondContact NH1-OE2 2.87Å; R210-E509 IonicContact NH2-OE2 3.29Å
211	T	97.8	Very high	92.9	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.006	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	130.2	158.6	-64.1	0	0	0	0	107.2	V156 V158 E175 S205 T206 F213	V156-T211 PolarHBondContact N-O 3.14Å; V156-T211 PolarHBondContact O-N 3.14Å; V158-T211 PolarHBondContact O-N 2.96Å; V158-T211 PolarHBondContact O-OG1 2.96Å; E175-T211 HydrophobicContact CB-CG2 4.39Å; E175-T211 HydrophobicContact CG-CG2 4.09Å; S205-T211 CarbonylContact O-C 3.26Å; S205-T211 VanDerWaalsContact O-CA 3.22Å; S205-T211 WeakPolarHBondContact O-CA 3.26Å; S205-T211 WeakPolarHBondContact O-CG2 3.35Å; T206-T211 WeakPolarHBondContact OG1-CG2 3.42Å; T206-T211 PolarHBondContact OG1-OG1 2.89Å; T211-F213 HydrophobicContact CG2-CD2 4.23Å; T211-F213 HydrophobicContact CG2-CE2 3.5Å; T211-F213 HydrophobicContact CG2-CZ 3.81Å
212	V	98	Very high	93.5	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.006	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	140.8	-178.8	-177.1	0	0	0	0	109.6	C155 A204 S205 E505 E509	C155-V212 HydrophobicContact CB-CG2 3.93Å; A204-V212 CarbonylContact C-O 3.54Å; A204-V212 WeakPolarHBondContact CA-O 3.33Å; A204-V212 WeakPolarHBondContact CB-O 3.28Å; S205-V212 PolarHBondContact N-O 2.92Å; S205-V212 PolarHBondContact O-N 3.22Å; V212-E505 HydrophobicContact CG1-CG 3.99Å; V212-E509 HydrophobicContact CG2-CG 3.89Å; V212-E509 WeakPolarHBondContact CG2-OE1 3.13Å
213	F	98.1	Very high	93.8	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	143.5	171.1	-62.2	-95.1	0	0	0	107.8	A153 L154 V156 E175 V178 F179 A204 T211 W229 F233 Y313	A153-F213 CarbonylContact C-O 3.58Å; A153-F213 WeakPolarHBondContact CA-O 3.25Å; A153-F213 WeakPolarHBondContact CB-O 3.47Å; L154-F213 PolarHBondContact N-O 2.63Å; L154-F213 PolarHBondContact O-N 3.28Å; V156-F213 HydrophobicContact CG2-CE2 4.25Å; E175-F213 HydrophobicContact CB-CE1 4.44Å; E175-F213 HydrophobicContact CB-CZ 4.34Å; E175-F213 HydrophobicContact CG-CE1 3.77Å; E175-F213 HydrophobicContact CG-CZ 3.96Å; V178-F213 HydrophobicContact CG2-CD1 4.46Å; V178-F213 HydrophobicContact CG2-CE1 3.47Å; V178-F213 VanDerWaalsContact CG2-CE1 3.47Å; V178-F213 HydrophobicContact CG2-CZ 3.71Å; F179-F213 HydrophobicContact CE2-CD1 4.04Å; F179-F213 AromaticContact CE2-CE1 3.92Å; F179-F213 HydrophobicContact CE2-CE1 3.92Å; F179-F213 HydrophobicContact CZ-CD1 4.05Å; F179-F213 HydrophobicContact CZ-CE1 4.41Å; A204-F213 HydrophobicContact CB-CD1 3.65Å; A204-F213 HydrophobicContact CB-CE1 3.99Å; A204-F213 HydrophobicContact CB-CG 4.28Å; T211-F213 HydrophobicContact CG2-CD2 4.23Å; T211-F213 HydrophobicContact CG2-CE2 3.5Å; T211-F213 HydrophobicContact CG2-CZ 3.81Å; F213-W229 HydrophobicContact CB-CZ2 3.83Å; F213-W229 WeakPolarHBondContact O-CZ2 3.3Å; F213-F233 HydrophobicContact CB-CZ 4.02Å; F213-F233 AromaticContact CD2-CE1 3.58Å; F213-F233 HydrophobicContact CD2-CE1 3.58Å; F213-F233 AromaticContact CD2-CZ 3.76Å; F213-F233 HydrophobicContact CD2-CZ 3.76Å; F213-F233 AromaticContact CE2-CE1 3.77Å; F213-F233 HydrophobicContact CE2-CE1 3.77Å; F213-F233 HydrophobicContact CE2-CZ 4.37Å; F213-F233 HydrophobicContact CG-CE1 4.1Å; F213-F233 AromaticContact CG-CZ 3.86Å; F213-F233 HydrophobicContact CG-CZ 3.86Å; F213-F233 HydrophobicContact CZ-CE1 4.43Å; F213-Y313 HydrophobicContact CE2-CE1 4.03Å; F213-Y313 WeakPolarHBondContact CE2-OH 3.3Å; F213-Y313 HydrophobicContact CZ-CE1 4.08Å; F213-Y313 VanDerWaalsContact CZ-OH 3.26Å; F213-Y313 WeakPolarHBondContact CZ-OH 3.48Å
214	Q	97.3	Very high	94	Very high	15 Å²	15	34.3 Å²	34.3	7%	0.07	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	153.6	178.3	58.7	177.7	-14.8	0	0	113	A152 A153 D202 N203 I501 E505	A152-Q214 WeakPolarHBondContact O-CA 3.37Å; A153-Q214 HydrophobicContact CB-CB 3.76Å; D202-Q214 VanDerWaalsContact CA-O 3.26Å; D202-Q214 WeakPolarHBondContact CA-O 3.32Å; D202-Q214 VanDerWaalsContact CB-O 3.31Å; D202-Q214 WeakPolarHBondContact CB-O 3.3Å; N203-Q214 HydrophobicContact CB-CG 4.35Å; N203-Q214 PolarHBondContact N-O 2.77Å; N203-Q214 WeakPolarHBondContact O-CG 3.34Å; N203-Q214 PolarHBondContact O-N 2.86Å; Q214-I501 HydrophobicContact CB-CD1 4.46Å; Q214-I501 HydrophobicContact CB-CG1 4.16Å; Q214-I501 HydrophobicContact CG-CD1 4.16Å; Q214-I501 HydrophobicContact CG-CG1 4.2Å; Q214-I501 PolarHBondContact OE1-O 2.98Å; Q214-E505 VanDerWaalsContact CD-CD 3.44Å; Q214-E505 PolarHBondContact NE2-OE1 3.33Å; Q214-E505 VanDerWaalsContact NE2-OE1 3.09Å; Q214-E505 PolarHBondContact NE2-OE2 2.59Å; Q214-E505 PolarHBondContact OE1-OE2 2.91Å
215	F	96.3	Very high	94.2	Very high	0 Å²	0	34 Å²	34	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	160.2	168.8	78.6	-88.5	0	0	0	112.4	A151 A152 F191 L195 S201 D202 V217 F222 A225 L226 W229	A151-F215 CarbonylContact C-O 3.23Å; A151-F215 WeakPolarHBondContact CA-O 3.48Å; A151-F215 WeakPolarHBondContact CB-O 3.34Å; A152-F215 HydrophobicContact CB-CD1 4.42Å; A152-F215 HydrophobicContact CB-CE1 3.83Å; A152-F215 HydrophobicContact CB-CZ 4.21Å; A152-F215 PolarHBondContact N-O 3.44Å; A152-F215 PolarHBondContact O-N 2.97Å; F191-F215 HydrophobicContact CE1-CB 4.24Å; F191-F215 HydrophobicContact CZ-CB 3.86Å; F191-F215 AromaticContact CZ-CD1 3.83Å; F191-F215 HydrophobicContact CZ-CD1 3.83Å; F191-F215 HydrophobicContact CZ-CD2 4.2Å; F191-F215 HydrophobicContact CZ-CE1 4.42Å; F191-F215 AromaticContact CZ-CG 3.7Å; F191-F215 HydrophobicContact CZ-CG 3.7Å; L195-F215 HydrophobicContact CD1-CB 3.93Å; L195-F215 HydrophobicContact CD2-CD2 3.86Å; L195-F215 HydrophobicContact CD2-CE2 4.49Å; S201-F215 CarbonylContact O-C 3.59Å; S201-F215 WeakPolarHBondContact O-CA 3.22Å; S201-F215 WeakPolarHBondContact O-CB 3.26Å; D202-F215 HydrophobicContact CB-CB 3.75Å; F215-V217 HydrophobicContact CE2-CG1 4.05Å; F215-F222 AromaticContact CE2-CD2 3.83Å; F215-F222 HydrophobicContact CE2-CD2 3.83Å; F215-F222 AromaticContact CE2-CE2 3.79Å; F215-F222 HydrophobicContact CE2-CE2 3.79Å; F215-F222 HydrophobicContact CZ-CD2 4.04Å; F215-F222 AromaticContact CZ-CE2 3.74Å; F215-F222 HydrophobicContact CZ-CE2 3.74Å; F215-A225 HydrophobicContact CD2-CB 4.23Å; F215-A225 HydrophobicContact CE2-CB 3.41Å; F215-A225 VanDerWaalsContact CE2-CB 3.41Å; F215-A225 HydrophobicContact CZ-CB 3.79Å; F215-L226 HydrophobicContact CE1-CD2 4.13Å; F215-L226 HydrophobicContact CZ-CD2 3.9Å; F215-L226 HydrophobicContact CZ-CG 4.11Å; F215-W229 HydrophobicContact CD1-CB 4.21Å; F215-W229 AromaticContact CD1-CD1 3.93Å; F215-W229 AromaticContact CD1-CD2 3.71Å; F215-W229 HydrophobicContact CD1-CD2 3.71Å; F215-W229 AromaticContact CD1-CE2 3.86Å; F215-W229 HydrophobicContact CD1-CE3 4.21Å; F215-W229 AromaticContact CD1-CG 3.73Å; F215-W229 HydrophobicContact CD1-CG 3.73Å; F215-W229 HydrophobicContact CD1-CZ2 4.4Å; F215-W229 HydrophobicContact CE1-CB 3.92Å; F215-W229 AromaticContact CE1-CD2 3.64Å; F215-W229 HydrophobicContact CE1-CD2 3.64Å; F215-W229 AromaticContact CE1-CE3 3.72Å; F215-W229 HydrophobicContact CE1-CE3 3.72Å; F215-W229 AromaticContact CE1-CG 3.77Å; F215-W229 HydrophobicContact CE1-CG 3.77Å; F215-W229 HydrophobicContact CE1-CZ3 4.27Å
216	D	93.5	Very high	94.4	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	155.1	167	64.6	31.8	0	0	0	112.3	Q149 A150 A151 G200 S201 I501	Q149-D216 HydrophobicContact CB-CB 3.84Å; Q149-D216 PolarHBondContact NE2-OD1 3.17Å; A150-D216 CarbonylContact O-C 3.6Å; A150-D216 WeakPolarHBondContact O-CA 3.45Å; A151-D216 HydrophobicContact CB-CB 3.99Å; G200-D216 CarbonylContact C-O 3.56Å; G200-D216 WeakPolarHBondContact CA-O 3.45Å; S201-D216 PolarHBondContact N-O 2.83Å; S201-D216 VanDerWaalsContact N-O 3.13Å; S201-D216 PolarHBondContact N-OD1 3.13Å; S201-D216 PolarHBondContact O-N 3Å; S201-D216 PolarHBondContact OG-OD1 3.48Å; S201-D216 PolarHBondContact OG-OD2 2.98Å; D216-I501 HydrophobicContact CB-CB 4.16Å; D216-I501 HydrophobicContact CB-CD1 4.16Å; D216-I501 HydrophobicContact CB-CG1 4.25Å
217	V	90.1	Very high	94.4	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	160.2	176.9	71.7	0	0	0	0	111.4	A150 L195 H198 F215 R219 F221 F222 A225	A150-V217 PolarHBondContact N-O 3.24Å; A150-V217 PolarHBondContact O-N 3.35Å; L195-V217 HydrophobicContact CD2-CB 3.87Å; L195-V217 HydrophobicContact CD2-CG2 4.04Å; H198-V217 HydrophobicContact CB-CG2 3.79Å; F215-V217 HydrophobicContact CE2-CG1 4.05Å; V217-R219 PolarHBondContact O-N 2.79Å; V217-F221 HydrophobicContact CG2-CB 4.16Å; V217-F222 HydrophobicContact CG1-CB 4.11Å; V217-F222 HydrophobicContact CG1-CD2 3.87Å; V217-A225 HydrophobicContact CG1-CB 3.97Å
218	Q	85.1	Confident	94.6	Very high	17 Å²	17	32.5 Å²	32.5	8%	0.079	14%	0.14	C	C	.	.			trans	-52.8	133.3	168.5	-76.1	176.7	48.2	0	0	111.9	H198 K220 F221	H198-Q218 VanDerWaalsContact O-CD 3.3Å; H198-Q218 VanDerWaalsContact O-CG 3.25Å; H198-Q218 WeakPolarHBondContact O-CG 3.46Å; H198-Q218 PolarHBondContact O-NE2 2.96Å; Q218-K220 PolarHBondContact O-N 3.32Å; Q218-F221 HydrophobicContact CB-CD2 4.05Å; Q218-F221 PolarHBondContact O-N 3.41Å
219	R	88.3	Confident	94.7	Very high	88 Å²	88	32 Å²	32	33%	0.332	14%	0.137	S	C	.	.	G	3₁₀ helix	trans	-43.4	-44.8	-173.7	-179.8	-160.3	172.5	179.7	-2	114	V217 F221 F222 R325 E326	V217-R219 PolarHBondContact O-N 2.79Å; R219-F221 PolarHBondContact O-N 3.2Å; R219-F222 WeakPolarHBondContact O-CB 3.48Å; R219-F222 PolarHBondContact O-N 2.91Å; R219-R325 HydrophobicContact CG-CB 4.5Å; R219-E326 IonicContact CZ-OE1 2.82Å; R219-E326 IonicContact NE-OE1 3.98Å; R219-E326 PolarHBondContact NE-OE1 2.7Å; R219-E326 VanDerWaalsContact NH2-CD 3.33Å; R219-E326 IonicContact NH2-OE1 3.41Å; R219-E326 PolarHBondContact NH2-OE1 2.95Å; R219-E326 IonicContact NH2-OE2 2.62Å; R219-E326 PolarHBondContact NH2-OE2 2.77Å
220	K	88.3	Confident	94.8	Very high	174 Å²	174	30.1 Å²	30.1	76%	0.757	13%	0.128	S	C	*	.	G	3₁₀ helix	trans	-55.8	-33.6	-176.1	-178.2	-179.2	174.4	-172.6	0	113.2	Q218	Q218-K220 PolarHBondContact O-N 3.32Å
221	F	91.8	Very high	94.8	Very high	41 Å²	41	29.1 Å²	29.1	18%	0.18	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-100	-2.6	-172.6	-58.2	-74.7	0	0	0	112.8	F194 H198 V217 Q218 R219 R223 E224 A225	F194-F221 HydrophobicContact CE1-CB 4.02Å; F194-F221 HydrophobicContact CZ-CB 3.84Å; F194-F221 HydrophobicContact CZ-CD1 4.29Å; F194-F221 HydrophobicContact CZ-CG 4.44Å; H198-F221 HydrophobicContact CB-CB 4.3Å; H198-F221 HydrophobicContact CB-CD2 3.75Å; H198-F221 HydrophobicContact CB-CE2 4.25Å; H198-F221 HydrophobicContact CB-CG 4.03Å; H198-F221 AromaticContact CD2-CD1 3.61Å; H198-F221 AromaticContact CD2-CD2 3.6Å; H198-F221 AromaticContact CD2-CE1 3.44Å; H198-F221 VanDerWaalsContact CD2-CE1 3.44Å; H198-F221 WeakPolarHBondContact CD2-CE1 3.38Å; H198-F221 AromaticContact CD2-CE2 3.42Å; H198-F221 VanDerWaalsContact CD2-CE2 3.42Å; H198-F221 WeakPolarHBondContact CD2-CE2 3.38Å; H198-F221 AromaticContact CD2-CG 3.69Å; H198-F221 AromaticContact CD2-CZ 3.33Å; H198-F221 WeakPolarHBondContact CD2-CZ 3.36Å; H198-F221 AromaticContact CG-CD1 3.95Å; H198-F221 AromaticContact CG-CD2 3.73Å; H198-F221 AromaticContact CG-CG 3.69Å; H198-F221 AromaticContact NE2-CD1 3.73Å; H198-F221 AromaticContact NE2-CE1 3.46Å; H198-F221 WeakPolarHBondContact NE2-CE1 3.35Å; H198-F221 AromaticContact NE2-CZ 3.78Å; V217-F221 HydrophobicContact CG2-CB 4.16Å; Q218-F221 HydrophobicContact CB-CD2 4.05Å; Q218-F221 PolarHBondContact O-N 3.41Å; R219-F221 PolarHBondContact O-N 3.2Å; F221-R223 PolarHBondContact O-N 3Å; F221-E224 WeakPolarHBondContact O-CB 3.37Å; F221-E224 PolarHBondContact O-N 3.04Å; F221-E224 VanDerWaalsContact O-N 3.1Å; F221-A225 PolarHBondContact O-N 3.06Å
222	F	94.9	Very high	94.7	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-61.9	-39.8	-169.7	-173	-129.4	0	0	0	114.7	A150 A151 A152 F215 V217 R219 E224 A225 L226 V322 L331 W334	A150-F222 VanDerWaalsContact C-CE2 3.47Å; A150-F222 HydrophobicContact CB-CB 3.65Å; A150-F222 HydrophobicContact CB-CD1 3.54Å; A150-F222 HydrophobicContact CB-CD2 3.42Å; A150-F222 VanDerWaalsContact CB-CD2 3.42Å; A150-F222 HydrophobicContact CB-CE1 3.91Å; A150-F222 HydrophobicContact CB-CE2 3.81Å; A150-F222 HydrophobicContact CB-CG 3.25Å; A150-F222 HydrophobicContact CB-CZ 4.02Å; A151-F222 WeakPolarHBondContact O-CZ 3.33Å; A152-F222 HydrophobicContact CB-CE2 4.27Å; A152-F222 HydrophobicContact CB-CZ 4.17Å; F215-F222 AromaticContact CE2-CD2 3.83Å; F215-F222 HydrophobicContact CE2-CD2 3.83Å; F215-F222 AromaticContact CE2-CE2 3.79Å; F215-F222 HydrophobicContact CE2-CE2 3.79Å; F215-F222 HydrophobicContact CZ-CD2 4.04Å; F215-F222 AromaticContact CZ-CE2 3.74Å; F215-F222 HydrophobicContact CZ-CE2 3.74Å; V217-F222 HydrophobicContact CG1-CB 4.11Å; V217-F222 HydrophobicContact CG1-CD2 3.87Å; R219-F222 WeakPolarHBondContact O-CB 3.48Å; R219-F222 PolarHBondContact O-N 2.91Å; F222-E224 VanDerWaalsContact C-N 3.27Å; F222-E224 PolarHBondContact O-N 3.37Å; F222-A225 PolarHBondContact O-N 3.44Å; F222-L226 HydrophobicContact CD1-CD1 3.89Å; F222-L226 HydrophobicContact CD1-CG 4.45Å; F222-L226 HydrophobicContact CD2-CG 4.28Å; F222-L226 HydrophobicContact CE1-CD1 3.68Å; F222-L226 HydrophobicContact CE1-CG 4.25Å; F222-L226 HydrophobicContact CE2-CD1 4.4Å; F222-L226 HydrophobicContact CE2-CD2 4.17Å; F222-L226 HydrophobicContact CE2-CG 4.07Å; F222-L226 HydrophobicContact CG-CD1 4.36Å; F222-L226 HydrophobicContact CG-CG 4.49Å; F222-L226 HydrophobicContact CZ-CD1 3.98Å; F222-L226 HydrophobicContact CZ-CD2 4.05Å; F222-L226 HydrophobicContact CZ-CG 4.07Å; F222-L226 WeakPolarHBondContact O-CB 3.45Å; F222-L226 VanDerWaalsContact O-CG 3.3Å; F222-L226 WeakPolarHBondContact O-CG 3.34Å; F222-L226 PolarHBondContact O-N 3.24Å; F222-V322 HydrophobicContact CE1-CG1 3.58Å; F222-V322 HydrophobicContact CZ-CG1 3.6Å; F222-L331 HydrophobicContact CE1-CD2 4.06Å; F222-W334 HydrophobicContact CD1-CE3 4.48Å; F222-W334 HydrophobicContact CD1-CZ3 4.07Å
223	R	96.8	Very high	94.6	Very high	110 Å²	110	29.4 Å²	29.4	42%	0.415	13%	0.125	S	C	.	.	H	α-helix	trans	-62.3	-37.7	176.9	-171.3	-173	-179	-163.7	-0.2	111.8	F221 D227 W334 E337 I338	F221-R223 PolarHBondContact O-N 3Å; R223-D227 WeakPolarHBondContact O-CB 3.39Å; R223-D227 PolarHBondContact O-N 3.46Å; R223-D227 VanDerWaalsContact O-N 3.16Å; R223-W334 HydrophobicContact CB-CD2 3.94Å; R223-W334 HydrophobicContact CB-CE3 3.87Å; R223-W334 HydrophobicContact CB-CH2 4.01Å; R223-W334 HydrophobicContact CB-CZ2 4.08Å; R223-W334 HydrophobicContact CB-CZ3 3.91Å; R223-W334 HydrophobicContact CG-CD2 3.74Å; R223-W334 HydrophobicContact CG-CE3 4.14Å; R223-W334 HydrophobicContact CG-CG 3.94Å; R223-W334 HydrophobicContact CG-CZ2 4.4Å; R223-E337 IonicContact CZ-OE2 2.76Å; R223-E337 IonicContact NE-OE2 2.8Å; R223-E337 IonicContact NH2-OE1 2.87Å; R223-E337 IonicContact NH2-OE2 3.91Å; R223-E337 PolarHBondContact NH2-OE2 3.08Å; R223-I338 HydrophobicContact CG-CD1 4.5Å
224	E	96.3	Very high	94.6	Very high	90 Å²	90	30.7 Å²	30.7	42%	0.421	13%	0.132	S	C	.	.	H	α-helix	trans	-72.7	-40.7	179.3	-130.9	-168.8	119.6	0	0	111.3	F194 F221 F222 D227 R228	F194-E224 HydrophobicContact CE1-CB 4.42Å; F194-E224 HydrophobicContact CE2-CB 4.35Å; F194-E224 HydrophobicContact CE2-CG 4.5Å; F194-E224 WeakPolarHBondContact CE2-OE1 3.22Å; F194-E224 HydrophobicContact CZ-CB 3.74Å; F194-E224 HydrophobicContact CZ-CG 4.36Å; F221-E224 WeakPolarHBondContact O-CB 3.37Å; F221-E224 PolarHBondContact O-N 3.04Å; F221-E224 VanDerWaalsContact O-N 3.1Å; F222-E224 VanDerWaalsContact C-N 3.27Å; F222-E224 PolarHBondContact O-N 3.37Å; E224-D227 PolarHBondContact O-N 3.03Å; E224-R228 PolarHBondContact O-N 3.36Å; E224-R228 IonicContact OE1-CZ 2.68Å; E224-R228 IonicContact OE1-NH1 3.55Å; E224-R228 PolarHBondContact OE1-NH1 3.17Å; E224-R228 IonicContact OE1-NH2 3.96Å; E224-R228 PolarHBondContact OE1-NH2 3.19Å; E224-R228 VanDerWaalsContact OE1-NH2 3.15Å
225	A	96.3	Very high	94.4	Very high	0 Å²	0	32 Å²	32	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-61.6	-46.3	172.9	0	0	0	0	0	111.8	F191 F194 L195 F215 V217 F221 F222 D227 R228 W229	F191-A225 HydrophobicContact CE2-CB 4.4Å; F194-A225 HydrophobicContact CD1-CB 4.4Å; F194-A225 HydrophobicContact CE1-CB 3.98Å; L195-A225 HydrophobicContact CD2-CB 4.25Å; F215-A225 HydrophobicContact CD2-CB 4.23Å; F215-A225 HydrophobicContact CE2-CB 3.41Å; F215-A225 VanDerWaalsContact CE2-CB 3.41Å; F215-A225 HydrophobicContact CZ-CB 3.79Å; V217-A225 HydrophobicContact CG1-CB 3.97Å; F221-A225 PolarHBondContact O-N 3.06Å; F222-A225 PolarHBondContact O-N 3.44Å; A225-D227 VanDerWaalsContact C-N 3.26Å; A225-D227 PolarHBondContact O-N 3.33Å; A225-R228 PolarHBondContact O-N 2.83Å; A225-W229 VanDerWaalsContact O-CB 3.23Å; A225-W229 WeakPolarHBondContact O-CB 3.47Å; A225-W229 PolarHBondContact O-N 2.89Å
226	L	97.6	Very high	94.2	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	15%	0.146	C	C	.	.	H	α-helix	trans	-56.9	-39.1	174.6	-76.2	172.3	0	0	0	112.2	A152 F215 F222 A230 V322 W334 I338 F339	A152-L226 HydrophobicContact CB-CD2 3.69Å; F215-L226 HydrophobicContact CE1-CD2 4.13Å; F215-L226 HydrophobicContact CZ-CD2 3.9Å; F215-L226 HydrophobicContact CZ-CG 4.11Å; F222-L226 HydrophobicContact CD1-CD1 3.89Å; F222-L226 HydrophobicContact CD1-CG 4.45Å; F222-L226 HydrophobicContact CD2-CG 4.28Å; F222-L226 HydrophobicContact CE1-CD1 3.68Å; F222-L226 HydrophobicContact CE1-CG 4.25Å; F222-L226 HydrophobicContact CE2-CD1 4.4Å; F222-L226 HydrophobicContact CE2-CD2 4.17Å; F222-L226 HydrophobicContact CE2-CG 4.07Å; F222-L226 HydrophobicContact CG-CD1 4.36Å; F222-L226 HydrophobicContact CG-CG 4.49Å; F222-L226 HydrophobicContact CZ-CD1 3.98Å; F222-L226 HydrophobicContact CZ-CD2 4.05Å; F222-L226 HydrophobicContact CZ-CG 4.07Å; F222-L226 WeakPolarHBondContact O-CB 3.45Å; F222-L226 VanDerWaalsContact O-CG 3.3Å; F222-L226 WeakPolarHBondContact O-CG 3.34Å; F222-L226 PolarHBondContact O-N 3.24Å; L226-A230 WeakPolarHBondContact O-CB 3.48Å; L226-A230 PolarHBondContact O-N 2.76Å; L226-V322 HydrophobicContact CD1-CG1 4.37Å; L226-W334 HydrophobicContact CD1-CE3 4.32Å; L226-I338 HydrophobicContact CB-CD1 3.91Å; L226-F339 HydrophobicContact CB-CE2 4.37Å; L226-F339 HydrophobicContact CD2-CE2 4.03Å; L226-F339 HydrophobicContact CD2-CZ 3.93Å
227	D	97.1	Very high	94.1	Very high	36 Å²	36	35.4 Å²	35.4	19%	0.193	16%	0.161	C	C	.	.	H	α-helix	trans	-73	-37.5	-179	-174.1	24.5	0	0	0	112.4	K184 R223 E224 A225 Q231 I338	K184-D227 IonicContact NZ-OD1 3.78Å; K184-D227 PolarHBondContact NZ-OD1 3.08Å; K184-D227 IonicContact NZ-OD2 3.68Å; K184-D227 PolarHBondContact NZ-OD2 3.32Å; R223-D227 WeakPolarHBondContact O-CB 3.39Å; R223-D227 PolarHBondContact O-N 3.46Å; R223-D227 VanDerWaalsContact O-N 3.16Å; E224-D227 PolarHBondContact O-N 3.03Å; A225-D227 VanDerWaalsContact C-N 3.26Å; A225-D227 PolarHBondContact O-N 3.33Å; D227-Q231 WeakPolarHBondContact O-CG 3.39Å; D227-Q231 PolarHBondContact O-NE2 2.98Å; D227-Q231 PolarHBondContact OD1-NE2 3.47Å; D227-I338 HydrophobicContact CB-CD1 4.08Å; D227-I338 HydrophobicContact CB-CG1 4.39Å
228	R	96.8	Very high	94	Very high	28 Å²	28	35.5 Å²	35.5	11%	0.106	16%	0.162	C	C	.	.	H	α-helix	trans	-63.6	-58.6	169.6	-76.4	-178.9	174.5	77.6	3.2	111.9	F185 D190 F191 F194 E224 A225 A230 Q231	F185-R228 HydrophobicContact CD1-CG 3.95Å; F185-R228 HydrophobicContact CD2-CB 4.24Å; F185-R228 HydrophobicContact CD2-CG 3.77Å; F185-R228 HydrophobicContact CE1-CG 3.79Å; F185-R228 HydrophobicContact CE2-CB 4.17Å; F185-R228 HydrophobicContact CE2-CG 3.6Å; F185-R228 HydrophobicContact CG-CG 3.94Å; F185-R228 HydrophobicContact CZ-CG 3.61Å; D190-R228 IonicContact OD1-NE 3.57Å; D190-R228 WeakPolarHBondContact OD2-CD 3.48Å; D190-R228 IonicContact OD2-CZ 2.68Å; D190-R228 IonicContact OD2-NE 3.86Å; D190-R228 PolarHBondContact OD2-NE 3.42Å; F191-R228 HydrophobicContact CD2-CB 3.75Å; F191-R228 HydrophobicContact CE2-CB 4.34Å; F194-R228 VanDerWaalsContact CD2-NH1 3.32Å; E224-R228 PolarHBondContact O-N 3.36Å; E224-R228 IonicContact OE1-CZ 2.68Å; E224-R228 IonicContact OE1-NH1 3.55Å; E224-R228 PolarHBondContact OE1-NH1 3.17Å; E224-R228 IonicContact OE1-NH2 3.96Å; E224-R228 PolarHBondContact OE1-NH2 3.19Å; E224-R228 VanDerWaalsContact OE1-NH2 3.15Å; A225-R228 PolarHBondContact O-N 2.83Å; R228-A230 VanDerWaalsContact C-N 3.28Å; R228-A230 PolarHBondContact O-N 2.89Å; R228-Q231 VanDerWaalsContact O-CB 3.26Å; R228-Q231 WeakPolarHBondContact O-CB 3.48Å; R228-Q231 WeakPolarHBondContact O-CG 3.48Å; R228-Q231 PolarHBondContact O-N 3.46Å
229	W	97.1	Very high	94	Very high	1 Å²	1	36.9 Å²	36.9	0%	0.004	17%	0.171	C	C	.	.	H	α-helix	trans	-59.7	-36.7	-176	-176.6	72.7	0	0	0	113	A152 L154 F191 F213 F215 A225 Q231 F232 F233 L320 F339	A152-W229 HydrophobicContact CB-CH2 4.31Å; A152-W229 HydrophobicContact CB-CZ3 4.12Å; L154-W229 HydrophobicContact CB-CH2 3.38Å; L154-W229 HydrophobicContact CB-CZ2 3.9Å; L154-W229 HydrophobicContact CB-CZ3 4.18Å; F191-W229 HydrophobicContact CD2-CB 4.32Å; F191-W229 HydrophobicContact CE1-CB 4.43Å; F191-W229 AromaticContact CE1-CD1 3.64Å; F191-W229 HydrophobicContact CE1-CG 4.37Å; F191-W229 HydrophobicContact CE2-CB 3.61Å; F191-W229 HydrophobicContact CE2-CG 4.32Å; F191-W229 HydrophobicContact CZ-CB 3.65Å; F191-W229 AromaticContact CZ-CD1 3.56Å; F191-W229 AromaticContact CZ-CG 3.86Å; F191-W229 HydrophobicContact CZ-CG 3.86Å; F213-W229 HydrophobicContact CB-CZ2 3.83Å; F213-W229 WeakPolarHBondContact O-CZ2 3.3Å; F215-W229 HydrophobicContact CD1-CB 4.21Å; F215-W229 AromaticContact CD1-CD1 3.93Å; F215-W229 AromaticContact CD1-CD2 3.71Å; F215-W229 HydrophobicContact CD1-CD2 3.71Å; F215-W229 AromaticContact CD1-CE2 3.86Å; F215-W229 HydrophobicContact CD1-CE3 4.21Å; F215-W229 AromaticContact CD1-CG 3.73Å; F215-W229 HydrophobicContact CD1-CG 3.73Å; F215-W229 HydrophobicContact CD1-CZ2 4.4Å; F215-W229 HydrophobicContact CE1-CB 3.92Å; F215-W229 AromaticContact CE1-CD2 3.64Å; F215-W229 HydrophobicContact CE1-CD2 3.64Å; F215-W229 AromaticContact CE1-CE3 3.72Å; F215-W229 HydrophobicContact CE1-CE3 3.72Å; F215-W229 AromaticContact CE1-CG 3.77Å; F215-W229 HydrophobicContact CE1-CG 3.77Å; F215-W229 HydrophobicContact CE1-CZ3 4.27Å; A225-W229 VanDerWaalsContact O-CB 3.23Å; A225-W229 WeakPolarHBondContact O-CB 3.47Å; A225-W229 PolarHBondContact O-N 2.89Å; W229-Q231 PolarHBondContact O-N 2.87Å; W229-Q231 VanDerWaalsContact O-N 3.1Å; W229-F232 AromaticContact CD1-CD2 3.89Å; W229-F232 AromaticContact CD1-CE2 3.75Å; W229-F232 WeakPolarHBondContact O-CB 3.26Å; W229-F232 WeakPolarHBondContact O-CG 3.44Å; W229-F232 PolarHBondContact O-N 2.91Å; W229-F233 AromaticContact CD2-CE2 3.96Å; W229-F233 HydrophobicContact CD2-CE2 3.96Å; W229-F233 AromaticContact CE2-CE2 3.92Å; W229-F233 HydrophobicContact CE3-CE2 4.13Å; W229-F233 HydrophobicContact CH2-CE2 4.36Å; W229-F233 HydrophobicContact CZ2-CE2 4.13Å; W229-F233 HydrophobicContact CZ2-CZ 4.23Å; W229-F233 HydrophobicContact CZ3-CE2 4.34Å; W229-L320 HydrophobicContact CH2-CD1 3.96Å; W229-L320 HydrophobicContact CZ3-CD1 3.71Å; W229-F339 AromaticContact CE3-CE1 3.95Å; W229-F339 HydrophobicContact CE3-CE1 3.95Å; W229-F339 AromaticContact CE3-CZ 3.84Å; W229-F339 HydrophobicContact CE3-CZ 3.84Å; W229-F339 AromaticContact CZ3-CE1 3.73Å; W229-F339 HydrophobicContact CZ3-CE1 3.73Å; W229-F339 AromaticContact CZ3-CZ 3.78Å; W229-F339 HydrophobicContact CZ3-CZ 3.78Å
230	A	97.4	Very high	93.8	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-25	174.6	0	0	0	0	0	113.2	L226 R228 F232 F233 I234 I338 F339	L226-A230 WeakPolarHBondContact O-CB 3.48Å; L226-A230 PolarHBondContact O-N 2.76Å; R228-A230 VanDerWaalsContact C-N 3.28Å; R228-A230 PolarHBondContact O-N 2.89Å; A230-F232 VanDerWaalsContact C-N 3.25Å; A230-F232 PolarHBondContact O-N 2.95Å; A230-F233 PolarHBondContact O-N 3.22Å; A230-F233 VanDerWaalsContact O-N 3.1Å; A230-I234 HydrophobicContact CB-CD1 3.95Å; A230-I234 WeakPolarHBondContact O-CD1 3.27Å; A230-I234 VanDerWaalsContact O-CG1 3.27Å; A230-I234 WeakPolarHBondContact O-CG1 3.34Å; A230-I234 PolarHBondContact O-N 3.46Å; A230-I234 VanDerWaalsContact O-N 3.17Å; A230-I338 HydrophobicContact CB-CG2 3.29Å; A230-F339 HydrophobicContact CB-CD1 4.28Å; A230-F339 HydrophobicContact CB-CE1 3.96Å; A230-F339 HydrophobicContact CB-CE2 4.47Å; A230-F339 HydrophobicContact CB-CZ 4.06Å
231	Q	96.8	Very high	93.5	Very high	9 Å²	9	36.3 Å²	36.3	4%	0.042	18%	0.179	C	C	.	.	H	α-helix	trans	-66.6	-25.5	-179.6	-52.8	-48.4	-47.4	0	0	113.4	S182 K184 F185 D227 R228 W229 F233 I234 C235 P236	S182-Q231 VanDerWaalsContact CB-CB 3.42Å; S182-Q231 WeakPolarHBondContact OG-CB 3.32Å; K184-Q231 HydrophobicContact CB-CG 4.16Å; K184-Q231 HydrophobicContact CD-CG 4.46Å; F185-Q231 HydrophobicContact CD2-CG 3.83Å; F185-Q231 HydrophobicContact CE2-CG 4.05Å; D227-Q231 WeakPolarHBondContact O-CG 3.39Å; D227-Q231 PolarHBondContact O-NE2 2.98Å; D227-Q231 PolarHBondContact OD1-NE2 3.47Å; R228-Q231 VanDerWaalsContact O-CB 3.26Å; R228-Q231 WeakPolarHBondContact O-CB 3.48Å; R228-Q231 WeakPolarHBondContact O-CG 3.48Å; R228-Q231 PolarHBondContact O-N 3.46Å; W229-Q231 PolarHBondContact O-N 2.87Å; W229-Q231 VanDerWaalsContact O-N 3.1Å; Q231-F233 PolarHBondContact O-N 3.08Å; Q231-F233 VanDerWaalsContact O-N 3.14Å; Q231-I234 PolarHBondContact O-N 2.94Å; Q231-I234 VanDerWaalsContact O-N 3.08Å; Q231-C235 CarbonylContact O-C 3.5Å; Q231-C235 PolarHBondContact O-N 3.47Å; Q231-P236 WeakPolarHBondContact O-CD 3.48Å
232	F	95.4	Very high	93.1	Very high	7 Å²	7	34.3 Å²	34.3	3%	0.031	17%	0.17	C	C	.	.	H	α-helix	trans	-54.1	-33.2	172.2	-64.6	6.8	0	0	0	111.2	V178 F179 F191 W229 A230 P236 W309	V178-F232 HydrophobicContact CB-CB 3.96Å; V178-F232 HydrophobicContact CB-CG 4.24Å; V178-F232 HydrophobicContact CG2-CB 4.12Å; V178-F232 HydrophobicContact CG2-CD2 4.12Å; V178-F232 HydrophobicContact CG2-CG 4.28Å; V178-F232 WeakPolarHBondContact O-CD1 3.31Å; V178-F232 WeakPolarHBondContact O-CE1 3.36Å; V178-F232 WeakPolarHBondContact O-CG 3.39Å; F179-F232 HydrophobicContact CB-CZ 4.37Å; F179-F232 AromaticContact CD1-CE2 3.57Å; F179-F232 HydrophobicContact CD1-CE2 3.57Å; F179-F232 AromaticContact CD1-CZ 3.67Å; F179-F232 HydrophobicContact CD1-CZ 3.67Å; F179-F232 HydrophobicContact CD2-CE2 4.42Å; F179-F232 AromaticContact CE1-CE2 3.65Å; F179-F232 HydrophobicContact CE1-CE2 3.65Å; F179-F232 HydrophobicContact CE1-CZ 4.15Å; F179-F232 HydrophobicContact CE2-CE2 4.49Å; F179-F232 AromaticContact CG-CE2 3.98Å; F179-F232 HydrophobicContact CG-CE2 3.98Å; F179-F232 HydrophobicContact CG-CZ 4.1Å; F179-F232 HydrophobicContact CZ-CE2 4.12Å; F191-F232 HydrophobicContact CB-CE1 4.32Å; F191-F232 HydrophobicContact CB-CZ 4.05Å; F191-F232 HydrophobicContact CD1-CE2 4.19Å; F191-F232 AromaticContact CD1-CZ 3.64Å; F191-F232 HydrophobicContact CD1-CZ 3.64Å; F191-F232 HydrophobicContact CE1-CE2 4.47Å; F191-F232 HydrophobicContact CE1-CZ 4.31Å; F191-F232 HydrophobicContact CG-CE1 4.48Å; F191-F232 AromaticContact CG-CZ 3.95Å; F191-F232 HydrophobicContact CG-CZ 3.95Å; W229-F232 AromaticContact CD1-CD2 3.89Å; W229-F232 AromaticContact CD1-CE2 3.75Å; W229-F232 WeakPolarHBondContact O-CB 3.26Å; W229-F232 WeakPolarHBondContact O-CG 3.44Å; W229-F232 PolarHBondContact O-N 2.91Å; A230-F232 VanDerWaalsContact C-N 3.25Å; A230-F232 PolarHBondContact O-N 2.95Å; F232-P236 WeakPolarHBondContact O-CD 3.24Å; F232-P236 WeakPolarHBondContact O-CG 3.32Å; F232-W309 PolarHBondContact O-NE1 2.81Å; F232-W309 VanDerWaalsContact O-NE1 3.13Å
233	F	96.8	Very high	92.7	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-100.4	-13.1	-178.7	-43.1	-65.8	0	0	0	113.4	L154 F213 W229 A230 Q231 Y313 M318 I342 P343	L154-F233 HydrophobicContact CB-CE2 4.47Å; L154-F233 HydrophobicContact CB-CZ 4.37Å; L154-F233 HydrophobicContact CD1-CD2 3.9Å; L154-F233 HydrophobicContact CD1-CE2 3.93Å; L154-F233 HydrophobicContact CD1-CG 4.26Å; L154-F233 HydrophobicContact CD1-CZ 4.32Å; L154-F233 HydrophobicContact CD2-CD1 4.13Å; L154-F233 HydrophobicContact CD2-CE1 3.84Å; L154-F233 HydrophobicContact CD2-CE2 4.44Å; L154-F233 HydrophobicContact CD2-CZ 4.01Å; L154-F233 HydrophobicContact CG-CZ 4.47Å; F213-F233 HydrophobicContact CB-CZ 4.02Å; F213-F233 AromaticContact CD2-CE1 3.58Å; F213-F233 HydrophobicContact CD2-CE1 3.58Å; F213-F233 AromaticContact CD2-CZ 3.76Å; F213-F233 HydrophobicContact CD2-CZ 3.76Å; F213-F233 AromaticContact CE2-CE1 3.77Å; F213-F233 HydrophobicContact CE2-CE1 3.77Å; F213-F233 HydrophobicContact CE2-CZ 4.37Å; F213-F233 HydrophobicContact CG-CE1 4.1Å; F213-F233 AromaticContact CG-CZ 3.86Å; F213-F233 HydrophobicContact CG-CZ 3.86Å; F213-F233 HydrophobicContact CZ-CE1 4.43Å; W229-F233 AromaticContact CD2-CE2 3.96Å; W229-F233 HydrophobicContact CD2-CE2 3.96Å; W229-F233 AromaticContact CE2-CE2 3.92Å; W229-F233 HydrophobicContact CE3-CE2 4.13Å; W229-F233 HydrophobicContact CH2-CE2 4.36Å; W229-F233 HydrophobicContact CZ2-CE2 4.13Å; W229-F233 HydrophobicContact CZ2-CZ 4.23Å; W229-F233 HydrophobicContact CZ3-CE2 4.34Å; A230-F233 PolarHBondContact O-N 3.22Å; A230-F233 VanDerWaalsContact O-N 3.1Å; Q231-F233 PolarHBondContact O-N 3.08Å; Q231-F233 VanDerWaalsContact O-N 3.14Å; F233-Y313 AromaticContact CD1-CD1 4Å; F233-Y313 HydrophobicContact CD1-CD1 4Å; F233-Y313 HydrophobicContact CD1-CE1 4.21Å; F233-Y313 HydrophobicContact CE1-CE1 4.33Å; F233-M318 HydrophobicContact CB-CE 4.11Å; F233-M318 HydrophobicContact CD1-CE 3.83Å; F233-M318 HydrophobicContact CG-CE 4.24Å; F233-I342 HydrophobicContact CB-CD1 3.65Å; F233-I342 HydrophobicContact CB-CG1 3.9Å; F233-I342 HydrophobicContact CB-CG2 4.28Å; F233-I342 HydrophobicContact CD2-CD1 4.39Å; F233-I342 HydrophobicContact CG-CD1 4.32Å; F233-P343 WeakPolarHBondContact O-CD 3.05Å
234	I	96.4	Very high	92	Very high	27 Å²	27	34.3 Å²	34.3	14%	0.138	18%	0.178	C	C	.	.	H	α-helix	trans	-98.1	-56.5	-178.8	-62	160.6	0	0	0	111.7	A230 Q231 W309 Q341 I342	A230-I234 HydrophobicContact CB-CD1 3.95Å; A230-I234 WeakPolarHBondContact O-CD1 3.27Å; A230-I234 VanDerWaalsContact O-CG1 3.27Å; A230-I234 WeakPolarHBondContact O-CG1 3.34Å; A230-I234 PolarHBondContact O-N 3.46Å; A230-I234 VanDerWaalsContact O-N 3.17Å; Q231-I234 PolarHBondContact O-N 2.94Å; Q231-I234 VanDerWaalsContact O-N 3.08Å; I234-W309 VanDerWaalsContact O-CH2 3.29Å; I234-W309 WeakPolarHBondContact O-CH2 3.32Å; I234-Q341 HydrophobicContact CD1-CB 3.8Å; I234-Q341 HydrophobicContact CG1-CB 4.01Å; I234-Q341 HydrophobicContact CG2-CB 4.14Å; I234-I342 HydrophobicContact CG1-CG1 3.78Å
235	C	93.3	Very high	91.5	Very high	43 Å²	43	32.6 Å²	32.6	29%	0.291	17%	0.168	S	C	.	.			trans	-161.2	69.4	-177.6	-154.5	0	0	0	0	112.3	E183 Q231	E183-C235 HydrophobicContact CB-CB 4.13Å; E183-C235 PolarHBondContact N-O 2.76Å; E183-C235 PolarHBondContact OE2-SG 3.48Å; Q231-C235 CarbonylContact O-C 3.5Å; Q231-C235 PolarHBondContact O-N 3.47Å
236	P	93.5	Very high	91.1	Very high	10 Å²	10	33 Å²	33	7%	0.065	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-66.1	142.2	170.7	30.4	-35.1	0	0	0	109.8	V178 Q231 F232 M238 W309	V178-P236 HydrophobicContact CB-CB 4.37Å; V178-P236 HydrophobicContact CG1-CB 4.15Å; V178-P236 HydrophobicContact CG1-CG 4.03Å; Q231-P236 WeakPolarHBondContact O-CD 3.48Å; F232-P236 WeakPolarHBondContact O-CD 3.24Å; F232-P236 WeakPolarHBondContact O-CG 3.32Å; P236-M238 HydrophobicContact CB-CE 4.49Å; P236-M238 HydrophobicContact CG-CE 3.73Å; P236-W309 HydrophobicContact CG-CD2 4.27Å; P236-W309 HydrophobicContact CG-CZ2 4.02Å
237	L	90	Very high	90.7	Very high	61 Å²	61	33 Å²	33	32%	0.319	17%	0.17	S	C	.	.			trans	-66.1	-48	179.7	-70.6	176	0	0	0	110.3	G181 P186 V239	G181-L237 PolarHBondContact O-N 2.67Å; P186-L237 HydrophobicContact CB-CD1 4.03Å; L237-V239 HydrophobicContact CB-CG2 3.93Å; L237-V239 HydrophobicContact CD1-CG2 4.1Å
238	M	87.6	Confident	90.3	Very high	3 Å²	3	33.6 Å²	33.6	2%	0.015	17%	0.172	C	C	.	.			trans	46	81.1	-159.3	-62.4	169.1	-112.6	0	0	108.1	L174 M177 P236 Y302 L305 R306 W309	L174-M238 HydrophobicContact CD1-CE 4.3Å; L174-M238 HydrophobicContact CD1-SD 3.87Å; M177-M238 HydrophobicContact CB-CG 4.31Å; M177-M238 HydrophobicContact CE-CB 4.1Å; M177-M238 HydrophobicContact CE-CG 4.47Å; M177-M238 WeakPolarHBondContact O-CG 3.42Å; P236-M238 HydrophobicContact CB-CE 4.49Å; P236-M238 HydrophobicContact CG-CE 3.73Å; M238-Y302 HydrophobicContact CB-CE2 4.15Å; M238-Y302 WeakPolarHBondContact O-CE2 3.39Å; M238-Y302 VanDerWaalsContact O-CZ 3.3Å; M238-Y302 PolarHBondContact O-OH 2.68Å; M238-L305 HydrophobicContact CG-CD2 4.27Å; M238-L305 HydrophobicContact SD-CD2 3.72Å; M238-L305 HydrophobicContact SD-CG 3.81Å; M238-R306 HydrophobicContact CE-CG 3.97Å; M238-R306 HydrophobicContact SD-CG 3.66Å; M238-W309 HydrophobicContact CE-CB 3.86Å; M238-W309 HydrophobicContact CE-CD2 4.05Å; M238-W309 HydrophobicContact CE-CE3 4.43Å; M238-W309 HydrophobicContact CE-CG 3.74Å
239	V	85.6	Confident	89.7	Confident	46 Å²	46	33 Å²	33	28%	0.279	17%	0.172	S	C	.	.			trans	-67.9	140.8	-179.5	-175	0	0	0	0	109.3	L237 D241 A242 V243	L237-V239 HydrophobicContact CB-CG2 3.93Å; L237-V239 HydrophobicContact CD1-CG2 4.1Å; V239-D241 VanDerWaalsContact C-N 3.26Å; V239-D241 PolarHBondContact O-N 3.37Å; V239-A242 HydrophobicContact CB-CB 4.37Å; V239-V243 PolarHBondContact O-N 2.75Å
240	Q	83.6	Confident	89.4	Confident	123 Å²	123	33 Å²	33	58%	0.575	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-27.4	-175.2	-168.5	-176.6	-53.8	0	0	112.3	Y302	Q240-Y302 HydrophobicContact CB-CE1 4.43Å; Q240-Y302 HydrophobicContact CB-CE2 4.42Å; Q240-Y302 HydrophobicContact CG-CD1 4.31Å; Q240-Y302 HydrophobicContact CG-CD2 4.48Å; Q240-Y302 HydrophobicContact CG-CG 4.23Å
241	D	83.6	Confident	89	Confident	126 Å²	126	33.9 Å²	33.9	67%	0.674	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-32.8	-177.9	-63.4	-20.1	0	0	0	111.6	V239 V243	V239-D241 VanDerWaalsContact C-N 3.26Å; V239-D241 PolarHBondContact O-N 3.37Å; D241-V243 PolarHBondContact O-N 2.73Å
242	A	83.3	Confident	88.4	Confident	0 Å²	0	34 Å²	34	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-60.3	-38.4	168.1	0	0	0	0	0	113.1	M177 M180 V239 D244 R245 E246	M177-A242 HydrophobicContact CE-CB 4.23Å; M180-A242 HydrophobicContact CB-CB 4.45Å; M180-A242 HydrophobicContact CG-CB 4.46Å; M180-A242 HydrophobicContact SD-CB 4.38Å; V239-A242 HydrophobicContact CB-CB 4.37Å; A242-D244 PolarHBondContact O-N 2.94Å; A242-D244 VanDerWaalsContact O-N 3.08Å; A242-R245 WeakPolarHBondContact O-CA 3.45Å; A242-R245 WeakPolarHBondContact O-CB 3.3Å; A242-R245 PolarHBondContact O-N 3.46Å; A242-E246 PolarHBondContact O-N 3.39Å
243	V	84.8	Confident	87.9	Confident	13 Å²	13	34 Å²	34	8%	0.079	18%	0.179	C	C	.	.	H	α-helix	trans	-55.3	-32.6	-178.2	161.4	0	0	0	0	114	F173 M177 V239 D241 V247 Y302 L305	F173-V243 HydrophobicContact CE1-CG1 4.21Å; F173-V243 HydrophobicContact CZ-CB 4.28Å; F173-V243 HydrophobicContact CZ-CG1 3.95Å; F173-V243 HydrophobicContact CZ-CG2 4.14Å; M177-V243 HydrophobicContact CE-CG2 3.58Å; M177-V243 HydrophobicContact SD-CB 4.36Å; M177-V243 HydrophobicContact SD-CG2 3.61Å; V239-V243 PolarHBondContact O-N 2.75Å; D241-V243 PolarHBondContact O-N 2.73Å; V243-V247 VanDerWaalsContact O-CG2 3.28Å; V243-V247 WeakPolarHBondContact O-CG2 3.38Å; V243-V247 PolarHBondContact O-N 2.97Å; V243-Y302 HydrophobicContact CG2-CD2 4.02Å; V243-L305 HydrophobicContact CG2-CD2 4.47Å
244	D	83.4	Confident	87.6	Confident	96 Å²	96	34.4 Å²	34.4	51%	0.513	18%	0.181	S	C	.	.	H	α-helix	trans	-80	-19.7	177.6	-97.4	-19.1	0	0	0	112.7	A242 K291	A242-D244 PolarHBondContact O-N 2.94Å; A242-D244 VanDerWaalsContact O-N 3.08Å; D244-K291 PolarHBondContact O-NZ 3.29Å; D244-K291 WeakPolarHBondContact OD1-CE 3.25Å; D244-K291 IonicContact OD1-NZ 3.74Å
245	R	85.3	Confident	87.1	Confident	54 Å²	54	34.5 Å²	34.5	20%	0.204	18%	0.181	C	C	.	.	H	α-helix	trans	-79.1	-53.6	169.9	-77.6	-174.5	-85	130.8	-10.2	111.3	E188 A242 V247 E248 A249 M896	E188-R245 IonicContact OE1-NH2 2.72Å; E188-R245 PolarHBondContact OE1-NH2 3.34Å; E188-R245 IonicContact OE2-CZ 3.15Å; E188-R245 IonicContact OE2-NH1 2.9Å; E188-R245 PolarHBondContact OE2-NH1 2.77Å; E188-R245 IonicContact OE2-NH2 3.4Å; E188-R245 PolarHBondContact OE2-NH2 2.95Å; A242-R245 WeakPolarHBondContact O-CA 3.45Å; A242-R245 WeakPolarHBondContact O-CB 3.3Å; A242-R245 PolarHBondContact O-N 3.46Å; R245-V247 VanDerWaalsContact C-N 3.26Å; R245-V247 PolarHBondContact O-N 3.25Å; R245-E248 WeakPolarHBondContact O-CA 3.48Å; R245-E248 VanDerWaalsContact O-CB 3.31Å; R245-E248 WeakPolarHBondContact O-CB 3.41Å; R245-E248 PolarHBondContact O-N 3.31Å; R245-A249 PolarHBondContact O-N 3.02Å; R245-M896 HydrophobicContact CG-SD 4.01Å
246	E	87.3	Confident	86.6	Confident	10 Å²	10	34.3 Å²	34.3	5%	0.047	18%	0.177	C	C	.	.	H	α-helix	trans	-66.9	-25.7	-172.3	-62.1	-34.3	104.5	0	0	113.8	F173 M177 M180 A242 E248 A249 V250	F173-E246 HydrophobicContact CE2-CB 3.83Å; M177-E246 HydrophobicContact SD-CB 3.88Å; M177-E246 HydrophobicContact SD-CG 3.94Å; M180-E246 VanDerWaalsContact CE-CD 3.46Å; M180-E246 HydrophobicContact CE-CG 3.64Å; M180-E246 HydrophobicContact CG-CG 4.06Å; M180-E246 HydrophobicContact SD-CG 3.55Å; M180-E246 VanDerWaalsContact SD-CG 3.55Å; A242-E246 PolarHBondContact O-N 3.39Å; E246-E248 PolarHBondContact O-N 3.24Å; E246-A249 WeakPolarHBondContact O-CB 3.42Å; E246-A249 PolarHBondContact O-N 3.13Å; E246-V250 WeakPolarHBondContact O-CG2 3.07Å; E246-V250 PolarHBondContact O-N 2.9Å
247	V	90.5	Very high	86.3	Confident	1 Å²	1	34.3 Å²	34.3	1%	0.006	18%	0.178	C	C	.	.	H	α-helix	trans	-67.1	-25.1	169.2	175.5	0	0	0	0	112.8	F173 V243 R245 D251 A287 L290 K291	F173-V247 HydrophobicContact CD1-CG2 4.46Å; F173-V247 HydrophobicContact CD2-CG2 4.06Å; F173-V247 HydrophobicContact CE1-CG2 3.93Å; F173-V247 HydrophobicContact CE2-CB 4.48Å; F173-V247 HydrophobicContact CE2-CG2 3.47Å; F173-V247 VanDerWaalsContact CE2-CG2 3.47Å; F173-V247 HydrophobicContact CZ-CG2 3.41Å; F173-V247 VanDerWaalsContact CZ-CG2 3.41Å; V243-V247 VanDerWaalsContact O-CG2 3.28Å; V243-V247 WeakPolarHBondContact O-CG2 3.38Å; V243-V247 PolarHBondContact O-N 2.97Å; R245-V247 VanDerWaalsContact C-N 3.26Å; R245-V247 PolarHBondContact O-N 3.25Å; V247-D251 VanDerWaalsContact O-CB 3.26Å; V247-D251 WeakPolarHBondContact O-CB 3.26Å; V247-D251 PolarHBondContact O-N 3.05Å; V247-A287 HydrophobicContact CG1-CB 4.27Å; V247-L290 HydrophobicContact CG1-CB 3.85Å; V247-L290 HydrophobicContact CG2-CB 3.87Å; V247-L290 HydrophobicContact CG2-CD1 4.38Å; V247-K291 HydrophobicContact CB-CD 4.32Å; V247-K291 HydrophobicContact CG1-CB 3.73Å; V247-K291 HydrophobicContact CG1-CD 4.03Å
248	E	87.8	Confident	86.1	Confident	48 Å²	48	36.5 Å²	36.5	22%	0.224	18%	0.182	C	C	.	.	H	α-helix	trans	-78.4	-28.9	171.2	-58.4	-68.4	148.2	0	0	112.3	R245 E246 D251 S252 K291 K924	R245-E248 WeakPolarHBondContact O-CA 3.48Å; R245-E248 VanDerWaalsContact O-CB 3.31Å; R245-E248 WeakPolarHBondContact O-CB 3.41Å; R245-E248 PolarHBondContact O-N 3.31Å; E246-E248 PolarHBondContact O-N 3.24Å; E248-D251 PolarHBondContact O-N 3.19Å; E248-S252 WeakPolarHBondContact O-CB 3.34Å; E248-S252 PolarHBondContact O-N 2.93Å; E248-K291 IonicContact OE1-NZ 3.22Å; E248-K291 PolarHBondContact OE1-NZ 2.96Å; E248-K924 IonicContact OE2-NZ 2.68Å; E248-K924 PolarHBondContact OE2-NZ 2.81Å
249	A	85	Confident	86	Confident	14 Å²	14	38.4 Å²	38.4	12%	0.116	19%	0.194	C	C	.	.	H	α-helix	trans	-63.4	-55.7	170.7	0	0	0	0	0	110.5	R245 E246 D251 S252 E253	R245-A249 PolarHBondContact O-N 3.02Å; E246-A249 WeakPolarHBondContact O-CB 3.42Å; E246-A249 PolarHBondContact O-N 3.13Å; A249-D251 VanDerWaalsContact C-N 3.26Å; A249-D251 PolarHBondContact O-N 3.46Å; A249-S252 WeakPolarHBondContact O-CA 3.15Å; A249-S252 WeakPolarHBondContact O-CB 3.47Å; A249-S252 PolarHBondContact O-N 2.68Å; A249-E253 WeakPolarHBondContact O-CB 3.13Å; A249-E253 PolarHBondContact O-N 3.45Å
250	V	89.6	Confident	86	Confident	1 Å²	1	37 Å²	37	1%	0.006	19%	0.187	C	C	.	.	H	α-helix	trans	-56.4	-36.4	173.4	175.4	0	0	0	0	112.3	F173 H176 E246 Y254 W284 L290	F173-V250 HydrophobicContact CD2-CG2 4.2Å; H176-V250 WeakPolarHBondContact ND1-CG2 3.24Å; E246-V250 WeakPolarHBondContact O-CG2 3.07Å; E246-V250 PolarHBondContact O-N 2.9Å; V250-Y254 VanDerWaalsContact O-CB 3.28Å; V250-Y254 WeakPolarHBondContact O-CB 3.32Å; V250-Y254 PolarHBondContact O-N 2.91Å; V250-W284 WeakPolarHBondContact CG1-O 3.36Å; V250-L290 HydrophobicContact CG1-CD1 4.17Å
251	D	89.4	Confident	86.3	Confident	20 Å²	20	31.8 Å²	31.8	11%	0.107	16%	0.163	C	C	.	.	H	α-helix	trans	-68.3	-37.7	174.5	-172.4	76	0	0	0	112.6	V247 E248 A249 Q255 A287 K924	V247-D251 VanDerWaalsContact O-CB 3.26Å; V247-D251 WeakPolarHBondContact O-CB 3.26Å; V247-D251 PolarHBondContact O-N 3.05Å; E248-D251 PolarHBondContact O-N 3.19Å; A249-D251 VanDerWaalsContact C-N 3.26Å; A249-D251 PolarHBondContact O-N 3.46Å; D251-Q255 WeakPolarHBondContact O-CG 3.26Å; D251-Q255 PolarHBondContact O-N 3.12Å; D251-A287 HydrophobicContact CB-CB 3.95Å; D251-A287 WeakPolarHBondContact OD1-CB 3.45Å; D251-A287 PolarHBondContact OD1-N 2.77Å; D251-A287 VanDerWaalsContact OD1-N 3.16Å; D251-K924 IonicContact OD2-NZ 3.64Å; D251-K924 PolarHBondContact OD2-NZ 3.2Å
252	S	83.6	Confident	86.6	Confident	11 Å²	11	26.3 Å²	26.3	8%	0.077	13%	0.134	C	C	.	.	H	α-helix	trans	-69.6	-45.6	177.8	-172.5	0	0	0	0	111.9	E248 A249 Y254 Q255 L256 Y899	E248-S252 WeakPolarHBondContact O-CB 3.34Å; E248-S252 PolarHBondContact O-N 2.93Å; A249-S252 WeakPolarHBondContact O-CA 3.15Å; A249-S252 WeakPolarHBondContact O-CB 3.47Å; A249-S252 PolarHBondContact O-N 2.68Å; S252-Y254 VanDerWaalsContact C-N 3.35Å; S252-Q255 PolarHBondContact O-N 3.19Å; S252-Q255 VanDerWaalsContact O-N 3.1Å; S252-L256 PolarHBondContact O-N 2.86Å; S252-Y899 PolarHBondContact OG-N 2.8Å
253	E	86.3	Confident	87	Confident	7 Å²	7	27.5 Å²	27.5	3%	0.033	14%	0.14	C	C	.	.	H	α-helix	trans	-54	-50.7	171.9	-170.9	-160.7	157.1	0	0	110.8	S114 H172 H176 A249 Q255 L256 A257 W284 Y899	S114-E253 WeakPolarHBondContact OG-CG 3.38Å; S114-E253 PolarHBondContact OG-OE1 3.45Å; H172-E253 IonicContact CE1-OE1 3.97Å; H172-E253 PolarHBondContact CE1-OE1 2.92Å; H172-E253 VanDerWaalsContact CE1-OE1 3.29Å; H172-E253 IonicContact CE1-OE2 2.69Å; H172-E253 PolarHBondContact CE1-OE2 3.4Å; H172-E253 IonicContact NE2-OE1 3.45Å; H172-E253 IonicContact NE2-OE2 2.73Å; H176-E253 IonicContact CE1-OE2 2.81Å; H176-E253 IonicContact NE2-OE2 2.78Å; A249-E253 WeakPolarHBondContact O-CB 3.13Å; A249-E253 PolarHBondContact O-N 3.45Å; E253-Q255 VanDerWaalsContact C-N 3.31Å; E253-Q255 PolarHBondContact O-N 2.69Å; E253-L256 WeakPolarHBondContact O-CB 3.36Å; E253-L256 PolarHBondContact O-N 2.93Å; E253-A257 PolarHBondContact O-N 2.54Å; E253-W284 HydrophobicContact CG-CZ3 4.15Å; E253-Y899 HydrophobicContact CB-CD2 3.92Å; E253-Y899 HydrophobicContact CB-CE2 3.9Å; E253-Y899 HydrophobicContact CB-CG 4.37Å; E253-Y899 HydrophobicContact CG-CD2 4.47Å; E253-Y899 HydrophobicContact CG-CE1 4.42Å; E253-Y899 HydrophobicContact CG-CE2 4.04Å
254	Y	90.4	Very high	87.4	Confident	9 Å²	9	28.1 Å²	28.1	4%	0.035	14%	0.141	C	C	.	.	H	α-helix	trans	-58.6	-36.1	174.2	171.2	-110.3	0	0	0	113.4	V250 S252 R258 F282 W284 N286 W565 F566	V250-Y254 VanDerWaalsContact O-CB 3.28Å; V250-Y254 WeakPolarHBondContact O-CB 3.32Å; V250-Y254 PolarHBondContact O-N 2.91Å; S252-Y254 VanDerWaalsContact C-N 3.35Å; Y254-R258 WeakPolarHBondContact O-CB 3.43Å; Y254-R258 PolarHBondContact O-N 2.9Å; Y254-F282 HydrophobicContact CD2-CE2 4.12Å; Y254-F282 AromaticContact CD2-CZ 3.72Å; Y254-F282 HydrophobicContact CD2-CZ 3.72Å; Y254-F282 HydrophobicContact CE1-CZ 4.49Å; Y254-F282 AromaticContact CE2-CE2 3.64Å; Y254-F282 HydrophobicContact CE2-CE2 3.64Å; Y254-F282 AromaticContact CE2-CZ 3.5Å; Y254-F282 HydrophobicContact CE2-CZ 3.5Å; Y254-F282 HydrophobicContact CG-CZ 4.31Å; Y254-F282 AromaticContact CZ-CZ 3.92Å; Y254-W284 HydrophobicContact CD2-CB 4.13Å; Y254-W284 HydrophobicContact CD2-CG 4.31Å; Y254-N286 HydrophobicContact CD1-CB 3.76Å; Y254-N286 HydrophobicContact CE1-CB 4.35Å; Y254-N286 WeakPolarHBondContact CE1-ND2 3.39Å; Y254-N286 HydrophobicContact CG-CB 4.25Å; Y254-W565 PolarHBondContact OH-O 2.89Å; Y254-F566 HydrophobicContact CD2-CZ 4.29Å; Y254-F566 HydrophobicContact CE2-CD2 4.31Å; Y254-F566 HydrophobicContact CE2-CE1 4.18Å; Y254-F566 AromaticContact CE2-CE2 3.9Å; Y254-F566 HydrophobicContact CE2-CE2 3.9Å; Y254-F566 AromaticContact CE2-CZ 3.81Å; Y254-F566 HydrophobicContact CE2-CZ 3.81Å
255	Q	85.5	Confident	87.8	Confident	28 Å²	28	25.8 Å²	25.8	13%	0.131	13%	0.126	C	C	.	.	H	α-helix	trans	-71	-32.5	174.1	-64.3	-42.9	-52.7	0	0	113.1	D251 S252 E253 R258 P259	D251-Q255 WeakPolarHBondContact O-CG 3.26Å; D251-Q255 PolarHBondContact O-N 3.12Å; S252-Q255 PolarHBondContact O-N 3.19Å; S252-Q255 VanDerWaalsContact O-N 3.1Å; E253-Q255 VanDerWaalsContact C-N 3.31Å; E253-Q255 PolarHBondContact O-N 2.69Å; Q255-R258 WeakPolarHBondContact O-CB 3.37Å; Q255-R258 VanDerWaalsContact OE1-CD 3.26Å; Q255-P259 WeakPolarHBondContact O-CD 3.45Å
256	L	83.3	Confident	88.1	Confident	39 Å²	39	24.3 Å²	24.3	20%	0.204	12%	0.121	C	C	.	.	H	α-helix	trans	-68.4	-39.8	173.4	-69.1	176.6	0	0	0	111.3	S252 E253 R258 P259 Y899 Q900	S252-L256 PolarHBondContact O-N 2.86Å; E253-L256 WeakPolarHBondContact O-CB 3.36Å; E253-L256 PolarHBondContact O-N 2.93Å; L256-R258 VanDerWaalsContact C-N 3.33Å; L256-R258 PolarHBondContact O-N 3.06Å; L256-P259 VanDerWaalsContact O-CD 3.27Å; L256-P259 WeakPolarHBondContact O-CD 3.5Å; L256-P259 WeakPolarHBondContact O-CG 3.34Å; L256-Y899 HydrophobicContact CD1-CD1 3.89Å; L256-Y899 HydrophobicContact CD1-CG 4.24Å; L256-Q900 HydrophobicContact CD1-CG 4.09Å
257	A	85.9	Confident	88.4	Confident	11 Å²	11	24.7 Å²	24.7	9%	0.091	12%	0.123	C	C	.	.	H	α-helix	trans	-70.6	-25.7	175.8	0	0	0	0	0	113.6	E253 S260 W284	E253-A257 PolarHBondContact O-N 2.54Å; A257-S260 WeakPolarHBondContact O-CB 3.24Å; A257-S260 PolarHBondContact O-N 3.07Å; A257-W284 HydrophobicContact CB-CE3 4.11Å; A257-W284 HydrophobicContact CB-CH2 3.4Å; A257-W284 VanDerWaalsContact CB-CH2 3.4Å; A257-W284 HydrophobicContact CB-CZ2 3.87Å; A257-W284 HydrophobicContact CB-CZ3 3.53Å
258	R	86.3	Confident	88.6	Confident	107 Å²	107	24.7 Å²	24.7	40%	0.404	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-38.1	-173.8	-169.7	172.1	171.8	-155.8	-7.9	116.8	Y254 Q255 L256 F566	Y254-R258 WeakPolarHBondContact O-CB 3.43Å; Y254-R258 PolarHBondContact O-N 2.9Å; Q255-R258 WeakPolarHBondContact O-CB 3.37Å; Q255-R258 VanDerWaalsContact OE1-CD 3.26Å; L256-R258 VanDerWaalsContact C-N 3.33Å; L256-R258 PolarHBondContact O-N 3.06Å; R258-F566 HydrophobicContact CG-CD1 4.49Å
259	P	84.7	Confident	89	Confident	43 Å²	43	23 Å²	23	28%	0.279	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-10.4	172	28.3	-36.9	0	0	0	115.4	Q255 L256 D261 V373	Q255-P259 WeakPolarHBondContact O-CD 3.45Å; L256-P259 VanDerWaalsContact O-CD 3.27Å; L256-P259 WeakPolarHBondContact O-CD 3.5Å; L256-P259 WeakPolarHBondContact O-CG 3.34Å; P259-D261 PolarHBondContact O-N 3.39Å; P259-V373 HydrophobicContact CB-CG1 4.2Å; P259-V373 WeakPolarHBondContact O-CB 3.49Å; P259-V373 WeakPolarHBondContact O-CG2 3.32Å
260	S	86.6	Confident	89.4	Confident	17 Å²	17	22.5 Å²	22.5	12%	0.119	11%	0.111	C	C	.	.			trans	-65.6	128.8	178.8	170.7	0	0	0	0	111.4	E123 A257 S262 R264	E123-S260 PolarHBondContact OE1-OG 2.9Å; A257-S260 WeakPolarHBondContact O-CB 3.24Å; A257-S260 PolarHBondContact O-N 3.07Å; S260-S262 VanDerWaalsContact C-N 3.33Å; S260-S262 PolarHBondContact OG-N 2.67Å; S260-R264 WeakPolarHBondContact O-CB 3.23Å; S260-R264 WeakPolarHBondContact O-CD 3.37Å; S260-R264 WeakPolarHBondContact O-CG 3.49Å; S260-R264 PolarHBondContact O-N 2.97Å
261	D	90.4	Very high	89.5	Confident	13 Å²	13	25.1 Å²	25.1	7%	0.07	13%	0.13	C	C	.	.	H	α-helix	trans	-73.3	-21.9	176.4	-76.2	-52.6	0	0	0	112.6	P259 R264 K265 P372 V373 R374 L551	P259-D261 PolarHBondContact O-N 3.39Å; D261-R264 IonicContact OD1-NE 2.64Å; D261-K265 VanDerWaalsContact O-CB 3.28Å; D261-K265 WeakPolarHBondContact O-CB 3.34Å; D261-K265 PolarHBondContact O-N 2.81Å; D261-P372 VanDerWaalsContact OD1-CA 3.24Å; D261-P372 WeakPolarHBondContact OD1-CA 3.27Å; D261-V373 VanDerWaalsContact CG-N 3.33Å; D261-V373 PolarHBondContact OD1-N 2.75Å; D261-V373 PolarHBondContact OD2-N 3.42Å; D261-R374 PolarHBondContact OD2-N 3.46Å; D261-R374 IonicContact OD2-NE 2.66Å; D261-L551 HydrophobicContact CB-CD2 4.46Å
262	S	89.3	Confident	89.7	Confident	11 Å²	11	24.8 Å²	24.8	8%	0.077	13%	0.128	C	C	.	.	H	α-helix	trans	-67.8	-58.1	173.4	-162.2	0	0	0	0	111	E119 S260 R264 K265 E266	E119-S262 PolarHBondContact OE2-OG 3.5Å; S260-S262 VanDerWaalsContact C-N 3.33Å; S260-S262 PolarHBondContact OG-N 2.67Å; S262-R264 PolarHBondContact O-N 3.02Å; S262-R264 VanDerWaalsContact O-N 3.09Å; S262-K265 CarbonylContact O-C 3.6Å; S262-K265 WeakPolarHBondContact O-CA 3.5Å; S262-K265 VanDerWaalsContact O-CB 3.26Å; S262-K265 WeakPolarHBondContact O-CB 3.39Å; S262-K265 PolarHBondContact O-N 2.97Å; S262-K265 WeakPolarHBondContact OG-CE 3.42Å; S262-K265 PolarHBondContact OG-NZ 3.22Å; S262-K265 VanDerWaalsContact OG-NZ 3.11Å; S262-E266 PolarHBondContact O-N 2.76Å
263	H	91.1	Very high	90.3	Very high	24 Å²	24	24.6 Å²	24.6	11%	0.111	13%	0.127	C	C	.	.	H	α-helix	trans	-58.6	-30.9	179.1	-52.8	143.3	0	0	0	112.8	E266 M267 W284 F566	H263-E266 IonicContact CD2-OE2 3.3Å; H263-M267 WeakPolarHBondContact O-CB 3.47Å; H263-M267 PolarHBondContact O-N 3.06Å; H263-W284 AromaticContact CD2-CZ2 3.81Å; H263-W284 AromaticContact CE1-CH2 3.81Å; H263-W284 AromaticContact CE1-CZ2 3.53Å; H263-W284 AromaticContact CG-CZ2 3.82Å; H263-W284 AromaticContact ND1-CZ2 3.65Å; H263-W284 AromaticContact NE2-CZ2 3.63Å; H263-F566 HydrophobicContact CB-CD1 4.3Å; H263-F566 HydrophobicContact CB-CE1 3.52Å; H263-F566 HydrophobicContact CB-CZ 3.67Å
264	R	92.8	Very high	90.6	Very high	27 Å²	27	28 Å²	28	10%	0.102	14%	0.14	C	C	.	.	H	α-helix	trans	-68.9	-38.5	173.5	-71.6	164.8	76.4	74.7	-0.3	113.1	S260 D261 S262 L268 F566 T568	S260-R264 WeakPolarHBondContact O-CB 3.23Å; S260-R264 WeakPolarHBondContact O-CD 3.37Å; S260-R264 WeakPolarHBondContact O-CG 3.49Å; S260-R264 PolarHBondContact O-N 2.97Å; D261-R264 IonicContact OD1-NE 2.64Å; S262-R264 PolarHBondContact O-N 3.02Å; S262-R264 VanDerWaalsContact O-N 3.09Å; R264-L268 WeakPolarHBondContact O-CB 3.48Å; R264-L268 PolarHBondContact O-N 3.12Å; R264-F566 HydrophobicContact CG-CB 3.84Å; R264-F566 HydrophobicContact CG-CD1 3.91Å; R264-F566 HydrophobicContact CG-CG 4.15Å; R264-F566 PolarHBondContact NH1-O 3.18Å; R264-T568 HydrophobicContact CB-CG2 4.28Å; R264-T568 WeakPolarHBondContact CB-OG1 3.34Å
265	K	92.8	Very high	90.7	Very high	47 Å²	47	33.8 Å²	33.8	20%	0.204	18%	0.178	C	C	.	.	H	α-helix	trans	-65.6	-50.9	172.9	161.4	-161.7	71.8	-177.8	0	109.5	D261 S262 L268 F269 L549	D261-K265 VanDerWaalsContact O-CB 3.28Å; D261-K265 WeakPolarHBondContact O-CB 3.34Å; D261-K265 PolarHBondContact O-N 2.81Å; S262-K265 CarbonylContact O-C 3.6Å; S262-K265 WeakPolarHBondContact O-CA 3.5Å; S262-K265 VanDerWaalsContact O-CB 3.26Å; S262-K265 WeakPolarHBondContact O-CB 3.39Å; S262-K265 PolarHBondContact O-N 2.97Å; S262-K265 WeakPolarHBondContact OG-CE 3.42Å; S262-K265 PolarHBondContact OG-NZ 3.22Å; S262-K265 VanDerWaalsContact OG-NZ 3.11Å; K265-L268 PolarHBondContact O-N 3.42Å; K265-F269 WeakPolarHBondContact O-CB 3.44Å; K265-F269 PolarHBondContact O-N 3.41Å; K265-L549 HydrophobicContact CG-CD2 4.19Å
266	E	91.9	Very high	90.9	Very high	23 Å²	23	36 Å²	36	11%	0.107	21%	0.208	C	C	.	.	H	α-helix	trans	-57.9	-54.3	178.7	-70.6	-158.9	104.9	0	0	113.2	S262 H263 L268 F269 G270 F434	S262-E266 PolarHBondContact O-N 2.76Å; H263-E266 IonicContact CD2-OE2 3.3Å; E266-L268 PolarHBondContact O-N 2.78Å; E266-F269 CarbonylContact O-C 3.56Å; E266-F269 WeakPolarHBondContact O-CA 3.46Å; E266-F269 WeakPolarHBondContact O-CB 3.33Å; E266-F269 PolarHBondContact O-N 3.15Å; E266-G270 PolarHBondContact O-N 3.49Å; E266-F434 HydrophobicContact CB-CE2 3.88Å; E266-F434 HydrophobicContact CB-CZ 3.9Å; E266-F434 HydrophobicContact CG-CE1 4.45Å; E266-F434 HydrophobicContact CG-CE2 4.34Å; E266-F434 HydrophobicContact CG-CZ 4.23Å; E266-F434 WeakPolarHBondContact O-CZ 3.43Å; E266-F434 VanDerWaalsContact OE1-CD2 3.29Å; E266-F434 WeakPolarHBondContact OE1-CD2 3.4Å; E266-F434 WeakPolarHBondContact OE1-CG 3.33Å
267	M	93.5	Very high	91.5	Very high	17 Å²	17	34.3 Å²	34.3	8%	0.084	20%	0.199	C	C	.	.	H	α-helix	trans	-63.8	-33.3	-176	-165.7	58.1	44.2	0	0	111.8	H263 S271 F282 E563 F566	H263-M267 WeakPolarHBondContact O-CB 3.47Å; H263-M267 PolarHBondContact O-N 3.06Å; M267-S271 PolarHBondContact O-N 3.36Å; M267-F282 HydrophobicContact CE-CD2 4.03Å; M267-F282 HydrophobicContact SD-CD2 4.15Å; M267-E563 HydrophobicContact CG-CG 4.32Å; M267-F566 HydrophobicContact CB-CD2 3.88Å; M267-F566 HydrophobicContact CB-CE2 4.12Å; M267-F566 HydrophobicContact CE-CE2 4.28Å; M267-F566 HydrophobicContact CG-CD2 3.93Å; M267-F566 HydrophobicContact CG-CE2 4.2Å
268	L	95.1	Very high	91.9	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-67.2	-44.2	170.7	179.1	60.2	0	0	0	111.5	R264 K265 E266 S271 V370 L549 T568 Y570	R264-L268 WeakPolarHBondContact O-CB 3.48Å; R264-L268 PolarHBondContact O-N 3.12Å; K265-L268 PolarHBondContact O-N 3.42Å; E266-L268 PolarHBondContact O-N 2.78Å; L268-S271 WeakPolarHBondContact O-CB 3.36Å; L268-S271 PolarHBondContact O-N 2.91Å; L268-S271 PolarHBondContact O-OG 3.4Å; L268-V370 HydrophobicContact CD2-CG2 3.67Å; L268-L549 HydrophobicContact CD2-CD1 4.24Å; L268-T568 HydrophobicContact CD2-CG2 4.45Å; L268-Y570 HydrophobicContact CD1-CD1 3.83Å; L268-Y570 HydrophobicContact CD1-CD2 4.09Å; L268-Y570 HydrophobicContact CD1-CE1 3.7Å; L268-Y570 HydrophobicContact CD1-CE2 3.98Å; L268-Y570 HydrophobicContact CD1-CG 4.03Å; L268-Y570 HydrophobicContact CD2-CD1 4.49Å; L268-Y570 HydrophobicContact CD2-CG 4.18Å
269	F	94.4	Very high	92.2	Very high	13 Å²	13	29.5 Å²	29.5	6%	0.057	18%	0.18	C	C	.	.	H	α-helix	trans	-65.4	-46.5	179.3	-173.9	-87.8	0	0	0	112.4	K265 E266 S271 L272 M279 F359 F364 F434 I442	K265-F269 WeakPolarHBondContact O-CB 3.44Å; K265-F269 PolarHBondContact O-N 3.41Å; E266-F269 CarbonylContact O-C 3.56Å; E266-F269 WeakPolarHBondContact O-CA 3.46Å; E266-F269 WeakPolarHBondContact O-CB 3.33Å; E266-F269 PolarHBondContact O-N 3.15Å; F269-S271 PolarHBondContact O-N 2.6Å; F269-L272 VanDerWaalsContact O-CB 3.24Å; F269-L272 WeakPolarHBondContact O-CB 3.37Å; F269-L272 WeakPolarHBondContact O-CG 3.29Å; F269-L272 PolarHBondContact O-N 2.73Å; F269-M279 HydrophobicContact CD1-CE 4.42Å; F269-F359 HydrophobicContact CD1-CE1 4.22Å; F269-F359 AromaticContact CD1-CZ 3.94Å; F269-F359 HydrophobicContact CD1-CZ 3.94Å; F269-F359 AromaticContact CE1-CE1 4Å; F269-F359 HydrophobicContact CE1-CE1 4Å; F269-F359 AromaticContact CE1-CE2 3.95Å; F269-F359 HydrophobicContact CE1-CE2 3.95Å; F269-F359 AromaticContact CE1-CZ 3.54Å; F269-F359 HydrophobicContact CE1-CZ 3.54Å; F269-F359 HydrophobicContact CZ-CZ 4.42Å; F269-F364 HydrophobicContact CE1-CE2 4.44Å; F269-F364 AromaticContact CE2-CE2 3.71Å; F269-F364 HydrophobicContact CE2-CE2 3.71Å; F269-F364 HydrophobicContact CE2-CZ 4.2Å; F269-F364 AromaticContact CZ-CE2 3.6Å; F269-F364 HydrophobicContact CZ-CE2 3.6Å; F269-F364 HydrophobicContact CZ-CZ 4.06Å; F269-F434 HydrophobicContact CB-CZ 4.25Å; F269-F434 AromaticContact CD1-CE1 3.81Å; F269-F434 HydrophobicContact CD1-CE1 3.81Å; F269-F434 AromaticContact CD1-CZ 3.78Å; F269-F434 HydrophobicContact CD1-CZ 3.78Å; F269-F434 HydrophobicContact CE1-CE1 4.33Å; F269-F434 HydrophobicContact CG-CZ 4.43Å; F269-I442 HydrophobicContact CE1-CD1 3.91Å; F269-I442 HydrophobicContact CE1-CG1 4.03Å; F269-I442 HydrophobicContact CZ-CD1 3.87Å; F269-I442 HydrophobicContact CZ-CG1 4.19Å; F269-I442 HydrophobicContact CZ-CG2 4.21Å
270	G	93.4	Very high	92.6	Very high	3 Å²	3	30.2 Å²	30.2	3%	0.031	18%	0.184	C	C	.	.	H	α-helix	trans	-58.8	-33.3	175.1	0	0	0	0	0	112.8	E266 L272 A273	E266-G270 PolarHBondContact O-N 3.49Å; G270-L272 PolarHBondContact O-N 2.77Å; G270-L272 VanDerWaalsContact O-N 3.15Å; G270-A273 WeakPolarHBondContact O-CB 3.28Å; G270-A273 PolarHBondContact O-N 3.24Å
271	S	92.9	Very high	92.9	Very high	57 Å²	57	31.5 Å²	31.5	40%	0.399	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-15.3	174	87.6	0	0	0	0	114.5	M267 L268 F269 A273	M267-S271 PolarHBondContact O-N 3.36Å; L268-S271 WeakPolarHBondContact O-CB 3.36Å; L268-S271 PolarHBondContact O-N 2.91Å; L268-S271 PolarHBondContact O-OG 3.4Å; F269-S271 PolarHBondContact O-N 2.6Å; S271-A273 VanDerWaalsContact C-N 3.33Å
272	L	93.8	Very high	93.1	Very high	12 Å²	12	31 Å²	31	6%	0.063	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-12	178.3	-49.4	-170.7	0	0	0	113.2	F269 G270 F359 T361 Y368	F269-L272 VanDerWaalsContact O-CB 3.24Å; F269-L272 WeakPolarHBondContact O-CB 3.37Å; F269-L272 WeakPolarHBondContact O-CG 3.29Å; F269-L272 PolarHBondContact O-N 2.73Å; G270-L272 PolarHBondContact O-N 2.77Å; G270-L272 VanDerWaalsContact O-N 3.15Å; L272-F359 HydrophobicContact CB-CD1 4.32Å; L272-F359 HydrophobicContact CB-CE1 4.32Å; L272-T361 PolarHBondContact O-OG1 3.4Å; L272-Y368 HydrophobicContact CD1-CD2 4.42Å; L272-Y368 HydrophobicContact CD1-CE1 4.28Å; L272-Y368 HydrophobicContact CD1-CE2 3.73Å; L272-Y368 HydrophobicContact CD2-CE1 3.75Å; L272-Y368 HydrophobicContact CD2-CE2 4.48Å; L272-Y368 WeakPolarHBondContact CD2-OH 3.4Å
273	A	94.8	Very high	93.2	Very high	7 Å²	7	32.2 Å²	32.2	6%	0.058	19%	0.193	C	C	.	.	S	Bend	trans	-65.9	153.4	175.2	0	0	0	0	0	111.7	G270 S271 H277 M279 T280 P358 F359	G270-A273 WeakPolarHBondContact O-CB 3.28Å; G270-A273 PolarHBondContact O-N 3.24Å; S271-A273 VanDerWaalsContact C-N 3.33Å; A273-H277 HydrophobicContact CB-CB 4.37Å; A273-M279 HydrophobicContact CB-CB 3.99Å; A273-M279 HydrophobicContact CB-CG 4.07Å; A273-T280 HydrophobicContact CB-CG2 3.85Å; A273-P358 HydrophobicContact CB-CB 4.03Å; A273-F359 HydrophobicContact CB-CD1 4.26Å; A273-F359 HydrophobicContact CB-CE1 3.81Å; A273-F359 HydrophobicContact CB-CZ 4.25Å
274	R	94.2	Very high	93.2	Very high	80 Å²	80	32.2 Å²	32.2	30%	0.302	19%	0.192	S	C	.	.	P	Polyproline II helix	trans	-58.2	143.9	179.5	68.4	-176.2	178.1	-145.8	-6.3	112.1	G276 H277 L355 Q356 Q357 P358 T361	R274-G276 PolarHBondContact O-N 2.87Å; R274-H277 HydrophobicContact CG-CB 4.05Å; R274-H277 WeakPolarHBondContact O-CB 3.35Å; R274-H277 PolarHBondContact O-N 3.38Å; R274-H277 VanDerWaalsContact O-N 3.09Å; R274-L355 VanDerWaalsContact NH2-CA 3.32Å; R274-L355 PolarHBondContact NH2-O 3.11Å; R274-Q356 VanDerWaalsContact CZ-O 3.26Å; R274-Q356 PolarHBondContact NH1-O 3.02Å; R274-Q356 PolarHBondContact NH2-O 3.27Å; R274-Q357 PolarHBondContact NH1-O 3.15Å; R274-P358 PolarHBondContact N-O 3.01Å; R274-T361 HydrophobicContact CB-CG2 4.06Å
275	P	91.4	Very high	93.3	Very high	129 Å²	129	30.9 Å²	30.9	84%	0.838	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.4	130.8	177.3	-27.3	35	0	0	0	113
276	G	89.9	Confident	93.3	Very high	75 Å²	75	29 Å²	29	77%	0.773	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.2	5.5	-178.7	0	0	0	0	0	114.9	R274	R274-G276 PolarHBondContact O-N 2.87Å
277	H	95.1	Very high	93.4	Very high	3 Å²	3	28.1 Å²	28.1	1%	0.014	18%	0.176	C	C	.	.			trans	-78	141.4	163.9	-160.1	-99.9	0	0	0	110.4	A273 R274 M279 T280 L355 P358 T439	A273-H277 HydrophobicContact CB-CB 4.37Å; R274-H277 HydrophobicContact CG-CB 4.05Å; R274-H277 WeakPolarHBondContact O-CB 3.35Å; R274-H277 PolarHBondContact O-N 3.38Å; R274-H277 VanDerWaalsContact O-N 3.09Å; H277-M279 WeakPolarHBondContact ND1-CB 3.4Å; H277-M279 PolarHBondContact ND1-N 2.75Å; H277-M279 PolarHBondContact O-N 2.78Å; H277-T280 PolarHBondContact O-N 2.6Å; H277-T280 VanDerWaalsContact O-N 3.13Å; H277-T280 PolarHBondContact O-OG1 2.89Å; H277-L355 PolarHBondContact NE2-O 3.5Å; H277-L355 VanDerWaalsContact NE2-O 3.13Å; H277-P358 HydrophobicContact CB-CB 4.32Å; H277-T439 PolarHBondContact CE1-OG1 3.13Å
278	P	94.7	Very high	93.4	Very high	7 Å²	7	31.9 Å²	31.9	5%	0.045	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-59.9	-27.2	178.2	24.3	-35.7	0	0	0	113.7	F161 T280 K281 F352 L355	F161-P278 HydrophobicContact CB-CB 3.67Å; F161-P278 HydrophobicContact CB-CG 4.15Å; F161-P278 HydrophobicContact CD1-CB 3.81Å; F161-P278 HydrophobicContact CD1-CG 4.32Å; F161-P278 HydrophobicContact CD2-CB 3.98Å; F161-P278 HydrophobicContact CD2-CG 3.66Å; F161-P278 HydrophobicContact CE1-CB 4.4Å; F161-P278 HydrophobicContact CE2-CG 4.06Å; F161-P278 HydrophobicContact CG-CB 3.55Å; F161-P278 HydrophobicContact CG-CG 3.8Å; P278-T280 PolarHBondContact O-N 3.02Å; P278-K281 HydrophobicContact CB-CD 4.34Å; P278-K281 WeakPolarHBondContact O-CB 3.28Å; P278-K281 WeakPolarHBondContact O-CG 3.36Å; P278-K281 PolarHBondContact O-N 3.3Å; P278-F352 HydrophobicContact CG-CD1 4.04Å; P278-F352 HydrophobicContact CG-CE1 4.39Å; P278-L355 HydrophobicContact CG-CD1 4.33Å
279	M	93.4	Very high	93.4	Very high	10 Å²	10	32.4 Å²	32.4	5%	0.049	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-56.1	-19	173.7	-171.1	58.3	158.8	0	0	115.2	F161 F269 A273 H277 K281 F359 F434 Y440	F161-M279 HydrophobicContact CE1-SD 4.35Å; F161-M279 HydrophobicContact CZ-CB 4.42Å; F161-M279 HydrophobicContact CZ-SD 4.3Å; F269-M279 HydrophobicContact CD1-CE 4.42Å; A273-M279 HydrophobicContact CB-CB 3.99Å; A273-M279 HydrophobicContact CB-CG 4.07Å; H277-M279 WeakPolarHBondContact ND1-CB 3.4Å; H277-M279 PolarHBondContact ND1-N 2.75Å; H277-M279 PolarHBondContact O-N 2.78Å; M279-K281 VanDerWaalsContact C-N 3.26Å; M279-K281 PolarHBondContact O-N 2.97Å; M279-F359 HydrophobicContact CE-CZ 4.01Å; M279-F359 HydrophobicContact CG-CZ 3.98Å; M279-F434 HydrophobicContact CE-CD1 3.81Å; M279-F434 HydrophobicContact CE-CD2 3.48Å; M279-F434 VanDerWaalsContact CE-CD2 3.48Å; M279-F434 HydrophobicContact CE-CE1 3.56Å; M279-F434 HydrophobicContact CE-CE2 3.22Å; M279-F434 HydrophobicContact CE-CG 3.77Å; M279-F434 HydrophobicContact CE-CZ 3.27Å; M279-F434 HydrophobicContact SD-CD2 3.99Å; M279-F434 HydrophobicContact SD-CE2 3.95Å; M279-Y440 HydrophobicContact CE-CE2 4.46Å; M279-Y440 WeakPolarHBondContact CE-OH 3.45Å; M279-Y440 PolarHBondContact SD-OH 3.11Å
280	T	93.3	Very high	93.5	Very high	59 Å²	59	31.9 Å²	31.9	36%	0.362	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-85.3	4.2	174.4	66.8	0	0	0	0	113.4	A273 H277 P278	A273-T280 HydrophobicContact CB-CG2 3.85Å; H277-T280 PolarHBondContact O-N 2.6Å; H277-T280 VanDerWaalsContact O-N 3.13Å; H277-T280 PolarHBondContact O-OG1 2.89Å; P278-T280 PolarHBondContact O-N 3.02Å
281	K	92.9	Very high	93.4	Very high	44 Å²	44	33.7 Å²	33.7	19%	0.191	20%	0.201	C	C	.	.	S	Bend	trans	-81.3	159.1	179.9	-67.4	176.4	-179.5	-177.5	0	110.8	F161 D163 D165 P278 M279	F161-K281 PolarHBondContact O-NZ 3.22Å; D163-K281 HydrophobicContact CB-CD 4.25Å; D163-K281 PolarHBondContact O-NZ 3.28Å; D165-K281 WeakPolarHBondContact OD1-CE 3.44Å; D165-K281 IonicContact OD1-NZ 3.94Å; P278-K281 HydrophobicContact CB-CD 4.34Å; P278-K281 WeakPolarHBondContact O-CB 3.28Å; P278-K281 WeakPolarHBondContact O-CG 3.36Å; P278-K281 PolarHBondContact O-N 3.3Å; M279-K281 VanDerWaalsContact C-N 3.26Å; M279-K281 PolarHBondContact O-N 2.97Å
282	F	94.4	Very high	93.4	Very high	1 Å²	1	34.9 Å²	34.9	0%	0.004	20%	0.2	C	C	.	.			trans	-100.5	101.7	175.1	174.5	-115.7	0	0	0	107.7	P168 G169 Y254 M267 W284 G285 N286 T289 W565 F566	P168-F282 CarbonylContact C-O 3.58Å; P168-F282 HydrophobicContact CB-CB 4.02Å; P168-F282 HydrophobicContact CB-CD1 4.35Å; P168-F282 VanDerWaalsContact CB-O 3.25Å; P168-F282 WeakPolarHBondContact CB-O 3.46Å; G169-F282 PolarHBondContact N-O 3.29Å; Y254-F282 HydrophobicContact CD2-CE2 4.12Å; Y254-F282 AromaticContact CD2-CZ 3.72Å; Y254-F282 HydrophobicContact CD2-CZ 3.72Å; Y254-F282 HydrophobicContact CE1-CZ 4.49Å; Y254-F282 AromaticContact CE2-CE2 3.64Å; Y254-F282 HydrophobicContact CE2-CE2 3.64Å; Y254-F282 AromaticContact CE2-CZ 3.5Å; Y254-F282 HydrophobicContact CE2-CZ 3.5Å; Y254-F282 HydrophobicContact CG-CZ 4.31Å; Y254-F282 AromaticContact CZ-CZ 3.92Å; M267-F282 HydrophobicContact CE-CD2 4.03Å; M267-F282 HydrophobicContact SD-CD2 4.15Å; F282-W284 HydrophobicContact CD2-CB 4.47Å; F282-W284 HydrophobicContact CE1-CB 4.3Å; F282-W284 HydrophobicContact CE2-CB 3.8Å; F282-W284 HydrophobicContact CE2-CG 4.32Å; F282-W284 HydrophobicContact CZ-CB 3.69Å; F282-G285 VanDerWaalsContact CE1-C 3.45Å; F282-G285 WeakPolarHBondContact CE1-O 3.27Å; F282-G285 WeakPolarHBondContact CZ-O 3.07Å; F282-N286 VanDerWaalsContact CE1-ND2 3.28Å; F282-N286 WeakPolarHBondContact CE1-ND2 3.38Å; F282-N286 WeakPolarHBondContact CZ-ND2 3.36Å; F282-T289 HydrophobicContact CD1-CG2 4.11Å; F282-T289 HydrophobicContact CE1-CG2 4.36Å; F282-W565 HydrophobicContact CB-CD2 4.18Å; F282-W565 HydrophobicContact CB-CG 4.49Å; F282-W565 HydrophobicContact CB-CH2 4.44Å; F282-W565 HydrophobicContact CB-CZ2 3.63Å; F282-W565 HydrophobicContact CD1-CD2 4.08Å; F282-W565 HydrophobicContact CD1-CE3 4.09Å; F282-W565 HydrophobicContact CD1-CH2 4.07Å; F282-W565 HydrophobicContact CD1-CZ2 4.07Å; F282-W565 HydrophobicContact CD1-CZ3 4.11Å; F282-W565 HydrophobicContact CD2-CB 3.97Å; F282-W565 AromaticContact CD2-CD1 3.78Å; F282-W565 AromaticContact CD2-CD2 3.84Å; F282-W565 HydrophobicContact CD2-CD2 3.84Å; F282-W565 HydrophobicContact CD2-CE3 4.48Å; F282-W565 AromaticContact CD2-CG 3.61Å; F282-W565 HydrophobicContact CD2-CG 3.61Å; F282-W565 HydrophobicContact CE1-CD2 4.42Å; F282-W565 HydrophobicContact CE1-CE3 4.15Å; F282-W565 HydrophobicContact CE1-CZ3 4.32Å; F282-W565 HydrophobicContact CE2-CB 3.85Å; F282-W565 HydrophobicContact CE2-CD2 4.22Å; F282-W565 AromaticContact CE2-CG 3.95Å; F282-W565 HydrophobicContact CE2-CG 3.95Å; F282-W565 AromaticContact CG-CD2 3.76Å; F282-W565 HydrophobicContact CG-CD2 3.76Å; F282-W565 AromaticContact CG-CE2 3.63Å; F282-W565 HydrophobicContact CG-CE3 4.26Å; F282-W565 HydrophobicContact CG-CG 4.03Å; F282-W565 HydrophobicContact CG-CH2 4.4Å; F282-W565 AromaticContact CG-CZ2 3.94Å; F282-W565 HydrophobicContact CG-CZ2 3.94Å; F282-W565 AromaticContact CG-NE1 3.89Å; F282-W565 HydrophobicContact CZ-CD2 4.5Å; F282-W565 HydrophobicContact CZ-CE3 4.4Å; F282-F566 HydrophobicContact CE2-CE2 4.12Å
283	C	90.9	Very high	93.4	Very high	37 Å²	37	34.6 Å²	34.6	25%	0.25	20%	0.2	C	C	.	.	S	Bend	trans	-69.9	-36.6	-173.7	45	0	0	0	0	113.8	G169 G285	G169-C283 WeakPolarHBondContact CA-O 3.49Å; C283-G285 PolarHBondContact O-N 2.67Å
284	W	92.1	Very high	93.4	Very high	24 Å²	24	34.4 Å²	34.4	9%	0.091	20%	0.198	C	C	.	.	S	Bend	trans	-57.8	-47	-177.3	-73.6	81.4	0	0	0	114	A115 H172 V250 E253 Y254 A257 H263 F282 F566	A115-W284 HydrophobicContact CB-CH2 4.19Å; H172-W284 PolarHBondContact ND1-O 3.03Å; V250-W284 WeakPolarHBondContact CG1-O 3.36Å; E253-W284 HydrophobicContact CG-CZ3 4.15Å; Y254-W284 HydrophobicContact CD2-CB 4.13Å; Y254-W284 HydrophobicContact CD2-CG 4.31Å; A257-W284 HydrophobicContact CB-CE3 4.11Å; A257-W284 HydrophobicContact CB-CH2 3.4Å; A257-W284 VanDerWaalsContact CB-CH2 3.4Å; A257-W284 HydrophobicContact CB-CZ2 3.87Å; A257-W284 HydrophobicContact CB-CZ3 3.53Å; H263-W284 AromaticContact CD2-CZ2 3.81Å; H263-W284 AromaticContact CE1-CH2 3.81Å; H263-W284 AromaticContact CE1-CZ2 3.53Å; H263-W284 AromaticContact CG-CZ2 3.82Å; H263-W284 AromaticContact ND1-CZ2 3.65Å; H263-W284 AromaticContact NE2-CZ2 3.63Å; F282-W284 HydrophobicContact CD2-CB 4.47Å; F282-W284 HydrophobicContact CE1-CB 4.3Å; F282-W284 HydrophobicContact CE2-CB 3.8Å; F282-W284 HydrophobicContact CE2-CG 4.32Å; F282-W284 HydrophobicContact CZ-CB 3.69Å; W284-F566 AromaticContact NE1-CZ 3.89Å
285	G	94	Very high	93.3	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.22	C	C	.	.			trans	75.8	173.7	-164.1	0	0	0	0	0	112.7	F282 C283	F282-G285 VanDerWaalsContact CE1-C 3.45Å; F282-G285 WeakPolarHBondContact CE1-O 3.27Å; F282-G285 WeakPolarHBondContact CZ-O 3.07Å; C283-G285 PolarHBondContact O-N 2.67Å
286	N	94.1	Very high	93.4	Very high	7 Å²	7	41.2 Å²	41.2	4%	0.037	21%	0.214	C	C	.	.			trans	179.6	175.5	174.1	49.9	35.9	0	0	0	110.7	Y254 F282 Q288 T289 L290	Y254-N286 HydrophobicContact CD1-CB 3.76Å; Y254-N286 HydrophobicContact CE1-CB 4.35Å; Y254-N286 WeakPolarHBondContact CE1-ND2 3.39Å; Y254-N286 HydrophobicContact CG-CB 4.25Å; F282-N286 VanDerWaalsContact CE1-ND2 3.28Å; F282-N286 WeakPolarHBondContact CE1-ND2 3.38Å; F282-N286 WeakPolarHBondContact CZ-ND2 3.36Å; N286-Q288 PolarHBondContact O-N 3.06Å; N286-Q288 VanDerWaalsContact O-N 3.13Å; N286-Q288 PolarHBondContact OD1-N 2.72Å; N286-T289 PolarHBondContact N-OG1 2.9Å; N286-T289 PolarHBondContact O-N 3.08Å; N286-T289 PolarHBondContact O-OG1 3.43Å; N286-T289 WeakPolarHBondContact OD1-CG2 3.45Å; N286-T289 PolarHBondContact OD1-N 3.23Å; N286-T289 PolarHBondContact OD1-OG1 2.66Å; N286-L290 PolarHBondContact O-N 3.13Å
287	A	93.1	Very high	93.6	Very high	4 Å²	4	44 Å²	44	3%	0.033	20%	0.204	C	C	.	.	H	α-helix	trans	-57	-31.9	177.9	0	0	0	0	0	113.4	V247 D251 K291 H292	V247-A287 HydrophobicContact CG1-CB 4.27Å; D251-A287 HydrophobicContact CB-CB 3.95Å; D251-A287 WeakPolarHBondContact OD1-CB 3.45Å; D251-A287 PolarHBondContact OD1-N 2.77Å; D251-A287 VanDerWaalsContact OD1-N 3.16Å; A287-K291 CarbonylContact O-C 3.56Å; A287-K291 WeakPolarHBondContact O-CA 3.3Å; A287-K291 WeakPolarHBondContact O-CB 3.46Å; A287-K291 PolarHBondContact O-N 3.47Å; A287-K291 VanDerWaalsContact O-N 3.09Å; A287-H292 PolarHBondContact O-N 2.93Å
288	Q	94.4	Very high	93.5	Very high	97 Å²	97	55 Å²	55	45%	0.453	25%	0.246	S	C	.	.	I	π-helix	trans	-70.3	-35.4	177.6	-177.3	56.3	38	0	0	113.1	N286 G293	N286-Q288 PolarHBondContact O-N 3.06Å; N286-Q288 VanDerWaalsContact O-N 3.13Å; N286-Q288 PolarHBondContact OD1-N 2.72Å; Q288-G293 WeakPolarHBondContact O-CA 3.46Å; Q288-G293 PolarHBondContact O-N 3.09Å
289	T	95.3	Very high	93.5	Very high	11 Å²	11	56.3 Å²	56.3	7%	0.067	25%	0.252	C	S	.	.	I	π-helix	trans	-87.6	-33.9	-177.2	45.2	0	0	0	0	113.5	P168 F282 N286 P294 W565	P168-T289 HydrophobicContact CB-CG2 4.44Å; P168-T289 HydrophobicContact CG-CG2 4.32Å; F282-T289 HydrophobicContact CD1-CG2 4.11Å; F282-T289 HydrophobicContact CE1-CG2 4.36Å; N286-T289 PolarHBondContact N-OG1 2.9Å; N286-T289 PolarHBondContact O-N 3.08Å; N286-T289 PolarHBondContact O-OG1 3.43Å; N286-T289 WeakPolarHBondContact OD1-CG2 3.45Å; N286-T289 PolarHBondContact OD1-N 3.23Å; N286-T289 PolarHBondContact OD1-OG1 2.66Å; T289-P294 WeakPolarHBondContact O-CD 3.46Å; T289-P294 WeakPolarHBondContact O-CG 3.43Å; T289-W565 HydrophobicContact CG2-CH2 3.39Å; T289-W565 HydrophobicContact CG2-CZ2 4.48Å; T289-W565 HydrophobicContact CG2-CZ3 3.58Å
290	L	94.9	Very high	93.5	Very high	2 Å²	2	60 Å²	60	1%	0.01	27%	0.272	C	S	.	.	I	π-helix	trans	-100.1	-29	-173.4	-60.9	169.3	0	0	0	113.6	L170 F173 V247 V250 N286 P294 T301	L170-L290 HydrophobicContact CD1-CD2 4.47Å; F173-L290 HydrophobicContact CB-CD1 3.73Å; F173-L290 HydrophobicContact CB-CD2 4.17Å; F173-L290 HydrophobicContact CD1-CD1 4.36Å; F173-L290 HydrophobicContact CD1-CD2 4.27Å; F173-L290 HydrophobicContact CD2-CD1 4.25Å; F173-L290 HydrophobicContact CG-CD1 3.85Å; F173-L290 HydrophobicContact CG-CD2 4.41Å; V247-L290 HydrophobicContact CG1-CB 3.85Å; V247-L290 HydrophobicContact CG2-CB 3.87Å; V247-L290 HydrophobicContact CG2-CD1 4.38Å; V250-L290 HydrophobicContact CG1-CD1 4.17Å; N286-L290 PolarHBondContact O-N 3.13Å; L290-P294 WeakPolarHBondContact O-CG 3.31Å; L290-T301 WeakPolarHBondContact O-CG2 3.38Å; L290-T301 PolarHBondContact O-OG1 3.5Å
291	K	92.6	Very high	93.4	Very high	41 Å²	41	58 Å²	58	18%	0.178	26%	0.26	C	S	.	.	I	π-helix	trans	-118	-61.4	-172.5	-176.4	172.3	-174.2	175.8	0	113.4	D244 V247 E248 A287 R295	D244-K291 PolarHBondContact O-NZ 3.29Å; D244-K291 WeakPolarHBondContact OD1-CE 3.25Å; D244-K291 IonicContact OD1-NZ 3.74Å; V247-K291 HydrophobicContact CB-CD 4.32Å; V247-K291 HydrophobicContact CG1-CB 3.73Å; V247-K291 HydrophobicContact CG1-CD 4.03Å; E248-K291 IonicContact OE1-NZ 3.22Å; E248-K291 PolarHBondContact OE1-NZ 2.96Å; A287-K291 CarbonylContact O-C 3.56Å; A287-K291 WeakPolarHBondContact O-CA 3.3Å; A287-K291 WeakPolarHBondContact O-CB 3.46Å; A287-K291 PolarHBondContact O-N 3.47Å; A287-K291 VanDerWaalsContact O-N 3.09Å; K291-R295 WeakPolarHBondContact O-CB 3.38Å; K291-R295 PolarHBondContact O-N 2.79Å
292	H	93.3	Very high	93.3	Very high	83 Å²	83	57.5 Å²	57.5	38%	0.384	26%	0.257	S	S	.	.	I	π-helix	trans	-72.2	-56.5	-174.2	-57.5	-38.3	0	0	0	113.6	A287 R295 E296	A287-H292 PolarHBondContact O-N 2.93Å; H292-R295 WeakPolarHBondContact O-CB 3.31Å; H292-R295 PolarHBondContact O-N 3.26Å; H292-E296 PolarHBondContact O-N 2.78Å
293	G	93.3	Very high	93.3	Very high	6 Å²	6	62.9 Å²	62.9	6%	0.062	28%	0.28	C	S	.	.	H	α-helix	trans	-58.3	-42.5	179.6	0	0	0	0	0	114	Q288 E296 K297	Q288-G293 WeakPolarHBondContact O-CA 3.46Å; Q288-G293 PolarHBondContact O-N 3.09Å; G293-E296 PolarHBondContact O-N 3.09Å; G293-K297 WeakPolarHBondContact O-CB 3.07Å; G293-K297 VanDerWaalsContact O-CG 3.3Å; G293-K297 WeakPolarHBondContact O-CG 3.45Å; G293-K297 PolarHBondContact O-N 3.1Å; G293-K297 VanDerWaalsContact O-N 3.11Å
294	P	93.5	Very high	93.5	Very high	2 Å²	2	64.6 Å²	64.6	1%	0.013	28%	0.282	C	S	.	.	H	α-helix	trans	-62.5	-43.3	173.6	-30.9	42.2	0	0	0	112.9	L167 T289 L290 E296 K297 R298 I299 T301	L167-P294 HydrophobicContact CD2-CB 3.99Å; L167-P294 HydrophobicContact CD2-CG 3.31Å; T289-P294 WeakPolarHBondContact O-CD 3.46Å; T289-P294 WeakPolarHBondContact O-CG 3.43Å; L290-P294 WeakPolarHBondContact O-CG 3.31Å; P294-E296 PolarHBondContact O-N 3.02Å; P294-K297 CarbonylContact O-C 3.55Å; P294-K297 PolarHBondContact O-N 3.33Å; P294-R298 PolarHBondContact O-N 3.17Å; P294-I299 HydrophobicContact CB-CB 4.02Å; P294-I299 HydrophobicContact CB-CG2 4.36Å; P294-I299 PolarHBondContact O-N 3.5Å; P294-T301 WeakPolarHBondContact CB-OG1 3.46Å
295	R	92.5	Very high	93.6	Very high	200 Å²	200	63.5 Å²	63.5	76%	0.755	28%	0.277	S	S	*	.	H	α-helix	trans	-60	-42.3	176.8	-178	177.2	179	170.4	0.5	112.3	K291 H292 R298	K291-R295 WeakPolarHBondContact O-CB 3.38Å; K291-R295 PolarHBondContact O-N 2.79Å; H292-R295 WeakPolarHBondContact O-CB 3.31Å; H292-R295 PolarHBondContact O-N 3.26Å; R295-R298 PolarHBondContact O-N 2.76Å
296	E	93.9	Very high	93.6	Very high	153 Å²	153	67.4 Å²	67.4	72%	0.715	29%	0.292	S	S	*	.	H	α-helix	trans	-62	-44.9	174	-70.3	-179.1	169.4	0	0	112.3	H292 G293 P294 R298	H292-E296 PolarHBondContact O-N 2.78Å; G293-E296 PolarHBondContact O-N 3.09Å; P294-E296 PolarHBondContact O-N 3.02Å; E296-R298 PolarHBondContact O-N 3.01Å
297	K	94	Very high	93.7	Very high	133 Å²	133	70.2 Å²	70.2	58%	0.578	31%	0.305	S	S	*	.	H	α-helix	trans	-76	-6.8	179.1	-66.1	170.3	-172.9	172.5	0	113.7	G293 P294 I299	G293-K297 WeakPolarHBondContact O-CB 3.07Å; G293-K297 VanDerWaalsContact O-CG 3.3Å; G293-K297 WeakPolarHBondContact O-CG 3.45Å; G293-K297 PolarHBondContact O-N 3.1Å; G293-K297 VanDerWaalsContact O-N 3.11Å; P294-K297 CarbonylContact O-C 3.55Å; P294-K297 PolarHBondContact O-N 3.33Å; K297-I299 HydrophobicContact CB-CD1 3.71Å; K297-I299 HydrophobicContact CB-CG1 3.92Å; K297-I299 HydrophobicContact CD-CD1 3.69Å; K297-I299 HydrophobicContact CG-CD1 4.38Å; K297-I299 PolarHBondContact O-N 3.18Å
298	R	94	Very high	93.8	Very high	233 Å²	233	70.6 Å²	70.6	88%	0.879	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.7	30.1	-171.6	-51.4	178	-179.5	176.4	-1.1	113.6	P294 R295 E296	P294-R298 PolarHBondContact O-N 3.17Å; R295-R298 PolarHBondContact O-N 2.76Å; E296-R298 PolarHBondContact O-N 3.01Å
299	I	93.8	Very high	93.9	Very high	35 Å²	35	67 Å²	67	18%	0.179	29%	0.289	C	S	.	.			trans	-78.4	134.7	168.5	-62.9	162.2	0	0	0	107.1	D166 L167 P294 K297 T301 R304	D166-I299 HydrophobicContact CB-CD1 3.86Å; D166-I299 WeakPolarHBondContact OD2-CD1 3.3Å; L167-I299 HydrophobicContact CD1-CG2 4.16Å; L167-I299 HydrophobicContact CD2-CG2 4.35Å; L167-I299 HydrophobicContact CG-CG2 4.38Å; P294-I299 HydrophobicContact CB-CB 4.02Å; P294-I299 HydrophobicContact CB-CG2 4.36Å; P294-I299 PolarHBondContact O-N 3.5Å; K297-I299 HydrophobicContact CB-CD1 3.71Å; K297-I299 HydrophobicContact CB-CG1 3.92Å; K297-I299 HydrophobicContact CD-CD1 3.69Å; K297-I299 HydrophobicContact CG-CD1 4.38Å; K297-I299 PolarHBondContact O-N 3.18Å; I299-T301 PolarHBondContact O-N 3.37Å; I299-R304 HydrophobicContact CG2-CG 4.03Å
300	N	92.7	Very high	93.9	Very high	89 Å²	89	73.4 Å²	73.4	48%	0.476	31%	0.311	S	S	.	.			trans	-95.2	93.1	175.7	-177.5	-53.2	0	0	0	108.1	Y302 K303 R304	N300-Y302 VanDerWaalsContact C-N 3.29Å; N300-Y302 PolarHBondContact O-N 2.93Å; N300-Y302 WeakPolarHBondContact OD1-CB 3.33Å; N300-Y302 PolarHBondContact OD1-N 2.95Å; N300-K303 HydrophobicContact CB-CB 4.13Å; N300-K303 PolarHBondContact O-N 2.97Å; N300-K303 VanDerWaalsContact O-N 3.17Å; N300-K303 VanDerWaalsContact OD1-CB 3.28Å; N300-K303 WeakPolarHBondContact OD1-CB 3.42Å; N300-K303 PolarHBondContact OD1-N 2.91Å; N300-R304 WeakPolarHBondContact O-CG 3.49Å; N300-R304 PolarHBondContact O-N 3.33Å; N300-R304 VanDerWaalsContact O-N 3.12Å
301	T	92	Very high	94	Very high	16 Å²	16	76.8 Å²	76.8	10%	0.098	32%	0.324	C	S	.	.	H	α-helix	trans	-51.8	-48.5	-178.3	-49.3	0	0	0	0	110.9	L167 L170 F173 L290 P294 I299 K303 R304 L305	L167-T301 HydrophobicContact CD2-CG2 4.23Å; L170-T301 HydrophobicContact CD1-CG2 4.47Å; F173-T301 HydrophobicContact CE1-CG2 4.42Å; L290-T301 WeakPolarHBondContact O-CG2 3.38Å; L290-T301 PolarHBondContact O-OG1 3.5Å; P294-T301 WeakPolarHBondContact CB-OG1 3.46Å; I299-T301 PolarHBondContact O-N 3.37Å; T301-K303 VanDerWaalsContact C-N 3.34Å; T301-K303 PolarHBondContact O-N 2.91Å; T301-R304 CarbonylContact O-C 3.56Å; T301-R304 WeakPolarHBondContact O-CA 3.39Å; T301-R304 WeakPolarHBondContact O-CB 3.26Å; T301-R304 PolarHBondContact O-N 2.76Å; T301-L305 PolarHBondContact O-N 3.14Å
302	Y	91.6	Very high	94.2	Very high	33 Å²	33	75.1 Å²	75.1	13%	0.129	32%	0.317	C	S	.	.	H	α-helix	trans	-51.1	-46.2	177.1	-178	-117.2	0	0	0	114.5	M238 Q240 V243 N300 R306	M238-Y302 HydrophobicContact CB-CE2 4.15Å; M238-Y302 WeakPolarHBondContact O-CE2 3.39Å; M238-Y302 VanDerWaalsContact O-CZ 3.3Å; M238-Y302 PolarHBondContact O-OH 2.68Å; Q240-Y302 HydrophobicContact CB-CE1 4.43Å; Q240-Y302 HydrophobicContact CB-CE2 4.42Å; Q240-Y302 HydrophobicContact CG-CD1 4.31Å; Q240-Y302 HydrophobicContact CG-CD2 4.48Å; Q240-Y302 HydrophobicContact CG-CG 4.23Å; V243-Y302 HydrophobicContact CG2-CD2 4.02Å; N300-Y302 VanDerWaalsContact C-N 3.29Å; N300-Y302 PolarHBondContact O-N 2.93Å; N300-Y302 WeakPolarHBondContact OD1-CB 3.33Å; N300-Y302 PolarHBondContact OD1-N 2.95Å; Y302-R306 VanDerWaalsContact CE1-NH2 3.3Å; Y302-R306 HydrophobicContact CE2-CG 4.42Å; Y302-R306 PolarHBondContact O-N 2.97Å; Y302-R306 VanDerWaalsContact OH-CZ 3.32Å; Y302-R306 PolarHBondContact OH-NH1 2.81Å
303	K	93.8	Very high	94.3	Very high	114 Å²	114	71.4 Å²	71.4	50%	0.496	30%	0.3	S	S	.	.	H	α-helix	trans	-68.2	-36.8	177.1	-177.5	173.8	-179.2	-79.7	0	111.6	N300 T301 E307	N300-K303 HydrophobicContact CB-CB 4.13Å; N300-K303 PolarHBondContact O-N 2.97Å; N300-K303 VanDerWaalsContact O-N 3.17Å; N300-K303 VanDerWaalsContact OD1-CB 3.28Å; N300-K303 WeakPolarHBondContact OD1-CB 3.42Å; N300-K303 PolarHBondContact OD1-N 2.91Å; T301-K303 VanDerWaalsContact C-N 3.34Å; T301-K303 PolarHBondContact O-N 2.91Å; K303-E307 IonicContact NZ-OE1 3.63Å; K303-E307 PolarHBondContact NZ-OE1 3.29Å; K303-E307 WeakPolarHBondContact O-CB 3.41Å; K303-E307 VanDerWaalsContact O-CG 3.28Å; K303-E307 WeakPolarHBondContact O-CG 3.47Å; K303-E307 PolarHBondContact O-N 2.97Å
304	R	94.7	Very high	94.5	Very high	74 Å²	74	71.1 Å²	71.1	28%	0.279	30%	0.297	S	S	.	.	H	α-helix	trans	-70.9	-39.3	179.3	-63.6	-69.3	-70.5	126.9	5.7	111.5	D166 L167 L170 I299 N300 T301 E307 F308	D166-R304 IonicContact OD1-NH2 2.89Å; L167-R304 HydrophobicContact CD1-CB 3.42Å; L167-R304 VanDerWaalsContact CD1-CB 3.42Å; L167-R304 HydrophobicContact CD1-CG 3.75Å; L170-R304 HydrophobicContact CD2-CB 4.47Å; I299-R304 HydrophobicContact CG2-CG 4.03Å; N300-R304 WeakPolarHBondContact O-CG 3.49Å; N300-R304 PolarHBondContact O-N 3.33Å; N300-R304 VanDerWaalsContact O-N 3.12Å; T301-R304 CarbonylContact O-C 3.56Å; T301-R304 WeakPolarHBondContact O-CA 3.39Å; T301-R304 WeakPolarHBondContact O-CB 3.26Å; T301-R304 PolarHBondContact O-N 2.76Å; R304-E307 WeakPolarHBondContact CD-OE2 3.29Å; R304-E307 IonicContact CZ-OE2 3.74Å; R304-E307 IonicContact NH1-OE2 3.96Å; R304-E307 PolarHBondContact NH1-OE2 2.86Å; R304-E307 CarbonylContact O-C 3.59Å; R304-E307 WeakPolarHBondContact O-CB 3.27Å; R304-E307 PolarHBondContact O-N 3.08Å; R304-E307 VanDerWaalsContact O-N 3.13Å; R304-F308 WeakPolarHBondContact O-CB 3.46Å; R304-F308 PolarHBondContact O-N 2.98Å
305	L	94.4	Very high	94.7	Very high	0 Å²	0	71 Å²	71	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-55.4	-54.6	172.1	-171.3	71.9	0	0	0	111	L170 F173 L174 M177 M238 V243 T301 E307 F308 W309	L170-L305 HydrophobicContact CD1-CB 4.31Å; L170-L305 HydrophobicContact CD1-CD1 3.7Å; L170-L305 HydrophobicContact CG-CD1 4.33Å; F173-L305 HydrophobicContact CD1-CD1 3.93Å; F173-L305 HydrophobicContact CD1-CD2 4.45Å; F173-L305 HydrophobicContact CE1-CD1 4.35Å; F173-L305 HydrophobicContact CE1-CD2 4.05Å; L174-L305 HydrophobicContact CB-CD1 3.77Å; L174-L305 HydrophobicContact CD1-CD1 3.94Å; L174-L305 HydrophobicContact CD1-CG 4.1Å; L174-L305 HydrophobicContact CG-CD1 4.42Å; M177-L305 HydrophobicContact CB-CD2 3.91Å; M177-L305 HydrophobicContact CG-CD2 3.86Å; M238-L305 HydrophobicContact CG-CD2 4.27Å; M238-L305 HydrophobicContact SD-CD2 3.72Å; M238-L305 HydrophobicContact SD-CG 3.81Å; V243-L305 HydrophobicContact CG2-CD2 4.47Å; T301-L305 PolarHBondContact O-N 3.14Å; L305-E307 PolarHBondContact O-N 2.76Å; L305-F308 WeakPolarHBondContact O-CA 3.34Å; L305-F308 WeakPolarHBondContact O-CB 3.37Å; L305-F308 PolarHBondContact O-N 2.89Å; L305-W309 PolarHBondContact O-N 3.08Å
306	R	94.1	Very high	94.9	Very high	82 Å²	82	64 Å²	64	31%	0.309	27%	0.272	S	S	.	.	H	α-helix	trans	-68.8	-16.5	176.2	-60.6	-167	-57.8	177.4	-1.4	114.5	M238 Y302 R310	M238-R306 HydrophobicContact CE-CG 3.97Å; M238-R306 HydrophobicContact SD-CG 3.66Å; Y302-R306 VanDerWaalsContact CE1-NH2 3.3Å; Y302-R306 HydrophobicContact CE2-CG 4.42Å; Y302-R306 PolarHBondContact O-N 2.97Å; Y302-R306 VanDerWaalsContact OH-CZ 3.32Å; Y302-R306 PolarHBondContact OH-NH1 2.81Å; R306-R310 VanDerWaalsContact O-CG 3.27Å; R306-R310 WeakPolarHBondContact O-CG 3.27Å; R306-R310 PolarHBondContact O-NH1 2.78Å
307	E	95.8	Very high	95.1	Very high	66 Å²	66	56.8 Å²	56.8	31%	0.308	24%	0.238	S	C	.	.	H	α-helix	trans	-80	-35.8	168.6	-80.4	171	-174.8	0	0	111.5	K303 R304 L305 R311	K303-E307 IonicContact NZ-OE1 3.63Å; K303-E307 PolarHBondContact NZ-OE1 3.29Å; K303-E307 WeakPolarHBondContact O-CB 3.41Å; K303-E307 VanDerWaalsContact O-CG 3.28Å; K303-E307 WeakPolarHBondContact O-CG 3.47Å; K303-E307 PolarHBondContact O-N 2.97Å; R304-E307 WeakPolarHBondContact CD-OE2 3.29Å; R304-E307 IonicContact CZ-OE2 3.74Å; R304-E307 IonicContact NH1-OE2 3.96Å; R304-E307 PolarHBondContact NH1-OE2 2.86Å; R304-E307 CarbonylContact O-C 3.59Å; R304-E307 WeakPolarHBondContact O-CB 3.27Å; R304-E307 PolarHBondContact O-N 3.08Å; R304-E307 VanDerWaalsContact O-N 3.13Å; L305-E307 PolarHBondContact O-N 2.76Å; E307-R311 VanDerWaalsContact O-CB 3.31Å; E307-R311 WeakPolarHBondContact O-CB 3.47Å; E307-R311 PolarHBondContact O-N 3.39Å
308	F	96.3	Very high	95.3	Very high	13 Å²	13	50.5 Å²	50.5	6%	0.057	21%	0.211	C	C	.	.	H	α-helix	trans	-67.7	-53.4	176.7	-170.1	-81.6	0	0	0	110.6	V158 S162 L170 A171 L174 R304 L305 R310 R311 N312	V158-F308 HydrophobicContact CG1-CZ 4.34Å; S162-F308 WeakPolarHBondContact O-CE2 3.13Å; L170-F308 HydrophobicContact CD2-CB 4.06Å; L170-F308 HydrophobicContact CD2-CD2 3.98Å; L170-F308 HydrophobicContact CD2-CG 4.22Å; L170-F308 HydrophobicContact CG-CD2 4.47Å; A171-F308 HydrophobicContact CB-CE1 4.23Å; A171-F308 HydrophobicContact CB-CZ 3.89Å; L174-F308 HydrophobicContact CD2-CD1 3.64Å; L174-F308 HydrophobicContact CD2-CE1 4.18Å; R304-F308 WeakPolarHBondContact O-CB 3.46Å; R304-F308 PolarHBondContact O-N 2.98Å; L305-F308 WeakPolarHBondContact O-CA 3.34Å; L305-F308 WeakPolarHBondContact O-CB 3.37Å; L305-F308 PolarHBondContact O-N 2.89Å; F308-R310 PolarHBondContact O-N 2.83Å; F308-R311 CarbonylContact O-C 3.48Å; F308-R311 WeakPolarHBondContact O-CA 3.41Å; F308-R311 WeakPolarHBondContact O-CB 3.3Å; F308-R311 PolarHBondContact O-N 3.03Å; F308-N312 HydrophobicContact CD1-CB 4.2Å; F308-N312 VanDerWaalsContact CD1-ND2 3.34Å; F308-N312 WeakPolarHBondContact CD1-ND2 3.25Å; F308-N312 VanDerWaalsContact CD2-ND2 3.35Å; F308-N312 WeakPolarHBondContact CD2-ND2 3.43Å; F308-N312 HydrophobicContact CE1-CB 4.1Å; F308-N312 WeakPolarHBondContact CE1-ND2 3.17Å; F308-N312 WeakPolarHBondContact CE2-ND2 3.4Å; F308-N312 WeakPolarHBondContact CG-ND2 3.39Å; F308-N312 WeakPolarHBondContact CZ-ND2 3.33Å; F308-N312 WeakPolarHBondContact O-CB 3.43Å; F308-N312 PolarHBondContact O-N 3.48Å
309	W	96.4	Very high	95.5	Very high	22 Å²	22	39.4 Å²	39.4	8%	0.083	17%	0.169	C	C	.	.	H	α-helix	trans	-51.2	-54.8	175.4	-179.7	89.7	0	0	0	111.3	L174 F232 I234 P236 M238 L305 R311 N312 Y313 P343	L174-W309 HydrophobicContact CD1-CB 3.95Å; L174-W309 HydrophobicContact CD1-CG 4.36Å; L174-W309 HydrophobicContact CD2-CB 3.72Å; L174-W309 HydrophobicContact CD2-CG 4.33Å; F232-W309 PolarHBondContact O-NE1 2.81Å; F232-W309 VanDerWaalsContact O-NE1 3.13Å; I234-W309 VanDerWaalsContact O-CH2 3.29Å; I234-W309 WeakPolarHBondContact O-CH2 3.32Å; P236-W309 HydrophobicContact CG-CD2 4.27Å; P236-W309 HydrophobicContact CG-CZ2 4.02Å; M238-W309 HydrophobicContact CE-CB 3.86Å; M238-W309 HydrophobicContact CE-CD2 4.05Å; M238-W309 HydrophobicContact CE-CE3 4.43Å; M238-W309 HydrophobicContact CE-CG 3.74Å; L305-W309 PolarHBondContact O-N 3.08Å; W309-R311 PolarHBondContact O-N 3.45Å; W309-N312 PolarHBondContact O-N 3.19Å; W309-N312 VanDerWaalsContact O-N 3.13Å; W309-Y313 AromaticContact CD1-CD1 3.44Å; W309-Y313 VanDerWaalsContact CD1-CD1 3.44Å; W309-Y313 AromaticContact CD1-CG 3.58Å; W309-Y313 HydrophobicContact CG-CG 4.32Å; W309-Y313 AromaticContact NE1-CD1 3.54Å; W309-Y313 AromaticContact NE1-CG 3.89Å; W309-Y313 WeakPolarHBondContact O-CB 3.48Å; W309-Y313 PolarHBondContact O-N 2.73Å; W309-P343 HydrophobicContact CH2-CG 4.48Å
310	R	95.2	Very high	95.8	Very high	145 Å²	145	37.7 Å²	37.7	55%	0.547	16%	0.16	S	C	.	.	H	α-helix	trans	-60.5	-18.9	177.3	-69.6	-174.7	-169.6	100.9	-1.2	115.2	R306 F308	R306-R310 VanDerWaalsContact O-CG 3.27Å; R306-R310 WeakPolarHBondContact O-CG 3.27Å; R306-R310 PolarHBondContact O-NH1 2.78Å; F308-R310 PolarHBondContact O-N 2.83Å
311	R	95.9	Very high	96	Very high	72 Å²	72	33.5 Å²	33.5	27%	0.272	14%	0.137	S	C	.	.	H	α-helix	trans	-93.9	-32.7	178.7	169.8	57.8	-162	111.5	-5.3	111.9	E307 F308 W309 Y317 N345 P348	E307-R311 VanDerWaalsContact O-CB 3.31Å; E307-R311 WeakPolarHBondContact O-CB 3.47Å; E307-R311 PolarHBondContact O-N 3.39Å; F308-R311 CarbonylContact O-C 3.48Å; F308-R311 WeakPolarHBondContact O-CA 3.41Å; F308-R311 WeakPolarHBondContact O-CB 3.3Å; F308-R311 PolarHBondContact O-N 3.03Å; W309-R311 PolarHBondContact O-N 3.45Å; R311-Y317 PolarHBondContact NH1-OH 3.34Å; R311-N345 PolarHBondContact O-ND2 3.06Å; R311-P348 PolarHBondContact NH1-O 2.79Å; R311-P348 PolarHBondContact NH2-O 2.9Å
312	N	96.3	Very high	96.3	Very high	7 Å²	7	32.7 Å²	32.7	4%	0.037	13%	0.133	C	C	.	.	H	α-helix	trans	-115.5	-32.1	-165.2	-69.1	-26	0	0	0	113.4	V158 F308 W309 S314 Y317	V158-N312 HydrophobicContact CB-CB 4.2Å; V158-N312 HydrophobicContact CG1-CB 3.88Å; V158-N312 HydrophobicContact CG2-CB 4.02Å; F308-N312 HydrophobicContact CD1-CB 4.2Å; F308-N312 VanDerWaalsContact CD1-ND2 3.34Å; F308-N312 WeakPolarHBondContact CD1-ND2 3.25Å; F308-N312 VanDerWaalsContact CD2-ND2 3.35Å; F308-N312 WeakPolarHBondContact CD2-ND2 3.43Å; F308-N312 HydrophobicContact CE1-CB 4.1Å; F308-N312 WeakPolarHBondContact CE1-ND2 3.17Å; F308-N312 WeakPolarHBondContact CE2-ND2 3.4Å; F308-N312 WeakPolarHBondContact CG-ND2 3.39Å; F308-N312 WeakPolarHBondContact CZ-ND2 3.33Å; F308-N312 WeakPolarHBondContact O-CB 3.43Å; F308-N312 PolarHBondContact O-N 3.48Å; W309-N312 PolarHBondContact O-N 3.19Å; W309-N312 VanDerWaalsContact O-N 3.13Å; N312-S314 PolarHBondContact O-N 2.87Å; N312-Y317 VanDerWaalsContact O-CD2 3.24Å; N312-Y317 WeakPolarHBondContact O-CD2 3.5Å
313	Y	96.9	Very high	96.5	Very high	5 Å²	5	31.3 Å²	31.3	2%	0.02	13%	0.127	C	C	.	.			trans	-87.3	95.8	177	-77.8	-138.8	0	0	0	107	V156 L174 V178 F213 F233 W309 M318	V156-Y313 HydrophobicContact CG1-CD2 4.19Å; V156-Y313 HydrophobicContact CG1-CE2 4.3Å; V156-Y313 HydrophobicContact CG2-CE1 4.43Å; L174-Y313 HydrophobicContact CD2-CD2 3.85Å; L174-Y313 HydrophobicContact CD2-CE1 4.4Å; L174-Y313 HydrophobicContact CD2-CE2 3.5Å; L174-Y313 HydrophobicContact CD2-CG 4.47Å; L174-Y313 HydrophobicContact CG-CE2 4.25Å; V178-Y313 HydrophobicContact CG1-CE1 4.26Å; F213-Y313 HydrophobicContact CE2-CE1 4.03Å; F213-Y313 WeakPolarHBondContact CE2-OH 3.3Å; F213-Y313 HydrophobicContact CZ-CE1 4.08Å; F213-Y313 VanDerWaalsContact CZ-OH 3.26Å; F213-Y313 WeakPolarHBondContact CZ-OH 3.48Å; F233-Y313 AromaticContact CD1-CD1 4Å; F233-Y313 HydrophobicContact CD1-CD1 4Å; F233-Y313 HydrophobicContact CD1-CE1 4.21Å; F233-Y313 HydrophobicContact CE1-CE1 4.33Å; W309-Y313 AromaticContact CD1-CD1 3.44Å; W309-Y313 VanDerWaalsContact CD1-CD1 3.44Å; W309-Y313 AromaticContact CD1-CG 3.58Å; W309-Y313 HydrophobicContact CG-CG 4.32Å; W309-Y313 AromaticContact NE1-CD1 3.54Å; W309-Y313 AromaticContact NE1-CG 3.89Å; W309-Y313 WeakPolarHBondContact O-CB 3.48Å; W309-Y313 PolarHBondContact O-N 2.73Å; Y313-M318 HydrophobicContact CD1-CE 4.3Å; Y313-M318 HydrophobicContact CG-CE 4.24Å
314	S	97.6	Very high	96.6	Very high	0 Å²	0	26 Å²	26	0%	0	11%	0.105	C	C	.	.			trans	-147.9	130.7	-172.4	-175	0	0	0	0	110	N312 H316 Y317 P343 N345	N312-S314 PolarHBondContact O-N 2.87Å; S314-H316 VanDerWaalsContact C-N 3.26Å; S314-H316 PolarHBondContact O-N 3.07Å; S314-H316 PolarHBondContact OG-CE1 3.01Å; S314-H316 PolarHBondContact OG-ND1 3.33Å; S314-Y317 PolarHBondContact O-N 3.43Å; S314-P343 CarbonylContact C-O 3.57Å; S314-P343 VanDerWaalsContact CA-O 3.27Å; S314-P343 WeakPolarHBondContact CA-O 3.29Å; S314-P343 PolarHBondContact OG-O 3.13Å; S314-N345 WeakPolarHBondContact CB-ND2 3.2Å; S314-N345 PolarHBondContact OG-N 3.25Å; S314-N345 PolarHBondContact OG-ND2 3.33Å
315	A	97.9	Very high	96.4	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-49.6	-40.4	-168.1	0	0	0	0	0	114.7	N69 L71 Y317 M318 I342 P343	N69-A315 HydrophobicContact CB-CB 3.83Å; N69-A315 VanDerWaalsContact CG-CB 3.45Å; N69-A315 WeakPolarHBondContact ND2-CB 3.4Å; N69-A315 WeakPolarHBondContact O-CB 3.48Å; L71-A315 VanDerWaalsContact CA-O 3.29Å; L71-A315 WeakPolarHBondContact CA-O 3.47Å; L71-A315 HydrophobicContact CB-CB 4.27Å; A315-Y317 VanDerWaalsContact C-N 3.26Å; A315-Y317 PolarHBondContact O-N 3.12Å; A315-M318 WeakPolarHBondContact O-CB 3.38Å; A315-M318 PolarHBondContact O-N 3.27Å; A315-M318 VanDerWaalsContact O-N 3.08Å; A315-I342 HydrophobicContact CB-CB 4.15Å; A315-I342 HydrophobicContact CB-CG2 3.76Å; A315-P343 PolarHBondContact N-O 2.87Å
316	H	96.5	Very high	96.3	Very high	53 Å²	53	27.4 Å²	27.4	25%	0.245	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-80.1	4.5	-178.2	67.6	-60.4	0	0	0	115.7	G70 S314 N344 K347	G70-H316 WeakPolarHBondContact O-CA 3.25Å; S314-H316 VanDerWaalsContact C-N 3.26Å; S314-H316 PolarHBondContact O-N 3.07Å; S314-H316 PolarHBondContact OG-CE1 3.01Å; S314-H316 PolarHBondContact OG-ND1 3.33Å; H316-N344 PolarHBondContact CE1-OD1 2.81Å; H316-N344 VanDerWaalsContact CE1-OD1 3.28Å; H316-N344 VanDerWaalsContact ND1-CG 3.31Å; H316-N344 PolarHBondContact ND1-ND2 2.94Å; H316-N344 PolarHBondContact ND1-OD1 3.24Å; H316-K347 PolarHBondContact NE2-O 2.86Å
317	Y	97.1	Very high	96.3	Very high	1 Å²	1	24.5 Å²	24.5	0%	0.004	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-102	-7.2	164.2	-48.9	-22.4	0	0	0	111.7	G157 V158 R311 N312 S314 A315 N345 K347 P348 Q349 Q512	G157-Y317 PolarHBondContact N-O 2.94Å; V158-Y317 HydrophobicContact CG2-CD2 4.12Å; R311-Y317 PolarHBondContact NH1-OH 3.34Å; N312-Y317 VanDerWaalsContact O-CD2 3.24Å; N312-Y317 WeakPolarHBondContact O-CD2 3.5Å; S314-Y317 PolarHBondContact O-N 3.43Å; A315-Y317 VanDerWaalsContact C-N 3.26Å; A315-Y317 PolarHBondContact O-N 3.12Å; Y317-N345 PolarHBondContact OH-OD1 3.01Å; Y317-N345 VanDerWaalsContact OH-OD1 3.09Å; Y317-K347 WeakPolarHBondContact CE1-O 3.42Å; Y317-K347 VanDerWaalsContact OH-C 3.32Å; Y317-K347 PolarHBondContact OH-O 3.06Å; Y317-P348 PolarHBondContact OH-O 3.22Å; Y317-Q349 HydrophobicContact CD1-CB 3.59Å; Y317-Q349 HydrophobicContact CD1-CG 3.93Å; Y317-Q349 HydrophobicContact CD2-CG 4.45Å; Y317-Q349 VanDerWaalsContact CE1-CA 3.41Å; Y317-Q349 HydrophobicContact CE1-CB 3.73Å; Y317-Q349 HydrophobicContact CE1-CG 4.45Å; Y317-Q349 HydrophobicContact CG-CB 4.14Å; Y317-Q349 HydrophobicContact CG-CG 3.97Å; Y317-Q512 PolarHBondContact O-NE2 2.78Å
318	M	98.4	Very high	96.3	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	152.8	-169.1	-66.1	161.6	160.4	0	0	111.4	L71 R72 L154 C155 V156 F233 Y313 A315 I342	L71-M318 HydrophobicContact CD1-CB 3.39Å; R72-M318 PolarHBondContact N-O 3.5Å; L154-M318 HydrophobicContact CD2-CB 4.14Å; L154-M318 HydrophobicContact CD2-CE 4.29Å; L154-M318 HydrophobicContact CD2-CG 3.9Å; L154-M318 HydrophobicContact CD2-SD 4.24Å; L154-M318 HydrophobicContact CG-CB 4.4Å; C155-M318 WeakPolarHBondContact O-CA 3.47Å; V156-M318 HydrophobicContact CG1-CE 4.33Å; V156-M318 HydrophobicContact CG1-CG 4.38Å; V156-M318 HydrophobicContact CG2-CE 3.83Å; V156-M318 HydrophobicContact CG2-CG 4.23Å; F233-M318 HydrophobicContact CB-CE 4.11Å; F233-M318 HydrophobicContact CD1-CE 3.83Å; F233-M318 HydrophobicContact CG-CE 4.24Å; Y313-M318 HydrophobicContact CD1-CE 4.3Å; Y313-M318 HydrophobicContact CG-CE 4.24Å; A315-M318 WeakPolarHBondContact O-CB 3.38Å; A315-M318 PolarHBondContact O-N 3.27Å; A315-M318 VanDerWaalsContact O-N 3.08Å; M318-I342 HydrophobicContact CE-CG2 4.45Å; M318-I342 HydrophobicContact SD-CD1 4.47Å; M318-I342 HydrophobicContact SD-CG2 3.77Å
319	T	98.6	Very high	96.3	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	134.8	171.7	43.2	0	0	0	0	108.5	R72 L154 C155 C508 M511 Q512	R72-T319 HydrophobicContact CB-CG2 4.13Å; R72-T319 VanDerWaalsContact NH2-CG2 3.26Å; R72-T319 CarbonylContact O-C 3.44Å; R72-T319 WeakPolarHBondContact O-CA 2.96Å; L154-T319 CarbonylContact C-O 3.59Å; L154-T319 VanDerWaalsContact CA-O 3.26Å; L154-T319 WeakPolarHBondContact CA-O 3.09Å; C155-T319 PolarHBondContact N-O 3.48Å; C155-T319 PolarHBondContact O-N 2.97Å; C155-T319 PolarHBondContact O-OG1 3.48Å; T319-C508 WeakPolarHBondContact CB-O 3.31Å; T319-C508 PolarHBondContact OG1-O 3.02Å; T319-M511 HydrophobicContact CG2-CB 3.49Å; T319-M511 VanDerWaalsContact CG2-CB 3.49Å; T319-Q512 HydrophobicContact CG2-CG 4.21Å; T319-Q512 WeakPolarHBondContact OG1-CG 3.42Å; T319-Q512 PolarHBondContact OG1-NE2 2.93Å
320	L	98.7	Very high	96.3	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	120.2	-173.4	169.5	68.7	0	0	0	110.8	L71 R72 V73 L74 A153 L154 W229 V322 V335 F339 M511	L71-L320 HydrophobicContact CD1-CB 4.2Å; L71-L320 HydrophobicContact CD2-CB 4.2Å; L71-L320 HydrophobicContact CD2-CD2 3.95Å; L71-L320 HydrophobicContact CG-CB 4.41Å; R72-L320 PolarHBondContact O-N 2.86Å; V73-L320 CarbonylContact C-O 3.59Å; V73-L320 WeakPolarHBondContact CA-O 3.21Å; V73-L320 HydrophobicContact CG1-CB 4.38Å; V73-L320 HydrophobicContact CG1-CD2 4.15Å; V73-L320 HydrophobicContact CG1-CG 4.21Å; V73-L320 WeakPolarHBondContact CG1-O 3.2Å; V73-L320 HydrophobicContact CG2-CB 4.31Å; V73-L320 HydrophobicContact CG2-CD2 4.26Å; L74-L320 PolarHBondContact N-O 3.27Å; A153-L320 CarbonylContact O-C 3.55Å; A153-L320 WeakPolarHBondContact O-CA 3.08Å; L154-L320 HydrophobicContact CB-CD1 4.17Å; L154-L320 HydrophobicContact CD1-CD1 4.45Å; W229-L320 HydrophobicContact CH2-CD1 3.96Å; W229-L320 HydrophobicContact CZ3-CD1 3.71Å; L320-V322 HydrophobicContact CD1-CG2 3.89Å; L320-V322 HydrophobicContact CD2-CG2 3.92Å; L320-V322 HydrophobicContact CG-CG2 3.68Å; L320-V335 HydrophobicContact CD2-CG1 3.93Å; L320-V335 HydrophobicContact CD2-CG2 4.34Å; L320-F339 HydrophobicContact CD1-CE1 4.03Å; L320-F339 HydrophobicContact CD1-CZ 4.23Å; L320-F339 HydrophobicContact CD2-CB 4.49Å; L320-F339 HydrophobicContact CD2-CD1 3.64Å; L320-F339 HydrophobicContact CD2-CD2 3.94Å; L320-F339 HydrophobicContact CD2-CE1 3.75Å; L320-F339 HydrophobicContact CD2-CE2 4.03Å; L320-F339 HydrophobicContact CD2-CG 3.75Å; L320-F339 HydrophobicContact CD2-CZ 3.95Å; L320-M511 WeakPolarHBondContact O-CE 3.47Å
321	A	98.5	Very high	96.4	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	136.1	169	0	0	0	0	0	109.6	L74 A152 A153 V504 I507 C508 M511	L74-A321 WeakPolarHBondContact O-CA 3.5Å; A152-A321 VanDerWaalsContact CA-O 3.24Å; A152-A321 WeakPolarHBondContact CA-O 3.15Å; A153-A321 PolarHBondContact N-O 3.23Å; A153-A321 PolarHBondContact O-N 2.85Å; A321-V504 HydrophobicContact CB-CB 3.78Å; A321-V504 HydrophobicContact CB-CG1 4.08Å; A321-V504 VanDerWaalsContact CB-O 3.3Å; A321-V504 WeakPolarHBondContact CB-O 3.44Å; A321-I507 HydrophobicContact CB-CB 4.21Å; A321-I507 HydrophobicContact CB-CG2 3.89Å; A321-C508 HydrophobicContact CB-CB 3.97Å; A321-M511 HydrophobicContact CB-CE 4.47Å
322	V	98.2	Very high	96.5	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	113.2	-179.4	-174.2	0	0	0	0	109.4	L74 L75 I76 A152 F222 L226 L320 L331 V335	L74-V322 PolarHBondContact O-N 3.34Å; L75-V322 HydrophobicContact CD2-CB 4.21Å; L75-V322 HydrophobicContact CD2-CG2 4.45Å; I76-V322 PolarHBondContact N-O 2.86Å; A152-V322 HydrophobicContact CB-CG2 4.36Å; F222-V322 HydrophobicContact CE1-CG1 3.58Å; F222-V322 HydrophobicContact CZ-CG1 3.6Å; L226-V322 HydrophobicContact CD1-CG1 4.37Å; L320-V322 HydrophobicContact CD1-CG2 3.89Å; L320-V322 HydrophobicContact CD2-CG2 3.92Å; L320-V322 HydrophobicContact CG-CG2 3.68Å; V322-L331 HydrophobicContact CG1-CD2 3.93Å; V322-V335 HydrophobicContact CG2-CG2 3.85Å
323	Q	96.3	Very high	96.5	Very high	4 Å²	4	21.5 Å²	21.5	2%	0.019	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	131.8	176.1	-171.8	175.9	-89.5	0	0	112	K60 I76 A150 A151 P500 V504	K60-Q323 VanDerWaalsContact CE-OE1 3.3Å; I76-Q323 HydrophobicContact CB-CB 3.98Å; I76-Q323 HydrophobicContact CB-CG 4.02Å; I76-Q323 HydrophobicContact CD1-CB 4.5Å; I76-Q323 HydrophobicContact CG2-CB 4.35Å; I76-Q323 HydrophobicContact CG2-CG 3.9Å; I76-Q323 VanDerWaalsContact O-CA 3.32Å; I76-Q323 WeakPolarHBondContact O-CA 3.15Å; A150-Q323 CarbonylContact C-O 3.58Å; A150-Q323 VanDerWaalsContact CA-O 3.25Å; A150-Q323 WeakPolarHBondContact CA-O 3.21Å; A151-Q323 PolarHBondContact N-O 3.26Å; A151-Q323 PolarHBondContact O-N 3.17Å; Q323-P500 VanDerWaalsContact NE2-CA 3.34Å; Q323-P500 VanDerWaalsContact NE2-CB 3.27Å; Q323-V504 HydrophobicContact CB-CG1 3.66Å
324	S	94.3	Very high	96.6	Very high	3 Å²	3	23 Å²	23	2%	0.021	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	170.6	171.3	-163.5	0	0	0	0	112.5	I76 D78 A150 E326	I76-S324 PolarHBondContact O-N 3.05Å; D78-S324 PolarHBondContact N-O 2.8Å; A150-S324 WeakPolarHBondContact CB-OG 3.21Å; S324-E326 PolarHBondContact O-N 2.88Å
325	R	90.7	Very high	96.6	Very high	69 Å²	69	23 Å²	23	26%	0.26	11%	0.108	S	C	.	.	S	Bend	trans	-81.8	16.6	167.8	-60.5	-170.5	175.1	-177	0.5	113.2	L79 R219	L79-R325 VanDerWaalsContact CD2-O 3.32Å; L79-R325 WeakPolarHBondContact CD2-O 3.48Å; R219-R325 HydrophobicContact CG-CB 4.5Å
326	E	92.8	Very high	96.6	Very high	33 Å²	33	27.8 Å²	27.8	15%	0.154	13%	0.126	C	C	.	.	S	Bend	trans	-88.3	163.9	173.2	-67.1	-54	144.8	0	0	112	S77 R219 S324 T330 L331 W334	S77-E326 WeakPolarHBondContact CB-O 3.34Å; S77-E326 PolarHBondContact OG-O 3Å; R219-E326 IonicContact CZ-OE1 2.82Å; R219-E326 IonicContact NE-OE1 3.98Å; R219-E326 PolarHBondContact NE-OE1 2.7Å; R219-E326 VanDerWaalsContact NH2-CD 3.33Å; R219-E326 IonicContact NH2-OE1 3.41Å; R219-E326 PolarHBondContact NH2-OE1 2.95Å; R219-E326 IonicContact NH2-OE2 2.62Å; R219-E326 PolarHBondContact NH2-OE2 2.77Å; S324-E326 PolarHBondContact O-N 2.88Å; E326-T330 HydrophobicContact CB-CG2 3.99Å; E326-T330 HydrophobicContact CG-CG2 4.03Å; E326-L331 HydrophobicContact CB-CD2 4.1Å; E326-L331 HydrophobicContact CB-CG 3.96Å; E326-W334 HydrophobicContact CG-CH2 3.65Å; E326-W334 HydrophobicContact CG-CZ2 4.49Å; E326-W334 HydrophobicContact CG-CZ3 3.86Å
327	S	94.6	Very high	96.6	Very high	22 Å²	22	30 Å²	30	15%	0.154	14%	0.136	C	C	.	.			trans	-63.2	155.2	169.8	62.4	0	0	0	0	111.5	E46 E329 T330 L331	E46-S327 WeakPolarHBondContact OE1-CB 3.33Å; S327-E329 PolarHBondContact O-N 2.77Å; S327-T330 PolarHBondContact O-N 3.39Å; S327-T330 VanDerWaalsContact OG-CB 3.25Å; S327-T330 WeakPolarHBondContact OG-CB 3.35Å; S327-T330 PolarHBondContact OG-N 3.38Å; S327-T330 PolarHBondContact OG-OG1 2.82Å; S327-L331 WeakPolarHBondContact O-CG 3.42Å; S327-L331 PolarHBondContact O-N 3.28Å
328	L	95.9	Very high	96.6	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-60.4	-30.1	171.6	-68.4	172.4	0	0	0	111.5	K61 R63 L75 E332	K61-L328 HydrophobicContact CB-CD1 3.82Å; K61-L328 HydrophobicContact CB-CG 4.33Å; K61-L328 HydrophobicContact CD-CD1 4.22Å; R63-L328 HydrophobicContact CB-CD1 4.2Å; R63-L328 HydrophobicContact CB-CD2 4.09Å; R63-L328 VanDerWaalsContact CZ-CB 3.47Å; R63-L328 PolarHBondContact NH1-O 3.26Å; R63-L328 VanDerWaalsContact NH2-CB 3.31Å; L75-L328 HydrophobicContact CB-CD2 3.93Å; L328-E332 WeakPolarHBondContact O-CB 3.44Å; L328-E332 PolarHBondContact O-N 3.26Å
329	E	96	Very high	96.6	Very high	56 Å²	56	30.2 Å²	30.2	26%	0.262	14%	0.138	S	C	.	.	H	α-helix	trans	-69.9	-45.9	176.9	-74.6	81.4	109.4	0	0	112.3	P45 E46 R63 S327 E332 E333	P45-E329 VanDerWaalsContact C-CD 3.44Å; P45-E329 WeakPolarHBondContact CA-OE1 3.17Å; P45-E329 HydrophobicContact CB-CG 4.34Å; P45-E329 WeakPolarHBondContact CB-OE1 3.28Å; P45-E329 VanDerWaalsContact O-OE2 3.06Å; E46-E329 PolarHBondContact N-OE1 2.6Å; R63-E329 IonicContact CZ-OE2 3.16Å; R63-E329 IonicContact NH1-OE2 2.74Å; R63-E329 PolarHBondContact NH1-OE2 2.72Å; R63-E329 IonicContact NH2-OE2 3.67Å; R63-E329 PolarHBondContact NH2-OE2 3.34Å; S327-E329 PolarHBondContact O-N 2.77Å; E329-E332 PolarHBondContact O-N 3.21Å; E329-E333 WeakPolarHBondContact O-CB 3.43Å; E329-E333 PolarHBondContact O-N 3Å
330	T	96	Very high	96.5	Very high	34 Å²	34	33.7 Å²	33.7	21%	0.209	16%	0.156	C	C	.	.	H	α-helix	trans	-60.8	-46.2	174.9	-66	0	0	0	0	110.4	E326 S327 E332 E333 W334	E326-T330 HydrophobicContact CB-CG2 3.99Å; E326-T330 HydrophobicContact CG-CG2 4.03Å; S327-T330 PolarHBondContact O-N 3.39Å; S327-T330 VanDerWaalsContact OG-CB 3.25Å; S327-T330 WeakPolarHBondContact OG-CB 3.35Å; S327-T330 PolarHBondContact OG-N 3.38Å; S327-T330 PolarHBondContact OG-OG1 2.82Å; T330-E332 VanDerWaalsContact C-N 3.33Å; T330-E332 PolarHBondContact O-N 3.1Å; T330-E333 PolarHBondContact O-N 3.16Å; T330-W334 HydrophobicContact CG2-CD2 3.89Å; T330-W334 HydrophobicContact CG2-CE3 4.35Å; T330-W334 HydrophobicContact CG2-CH2 3.85Å; T330-W334 HydrophobicContact CG2-CZ2 3.3Å; T330-W334 HydrophobicContact CG2-CZ3 4.33Å; T330-W334 VanDerWaalsContact O-CG 3.28Å; T330-W334 PolarHBondContact O-N 3.46Å
331	L	97.2	Very high	96.5	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-63.9	-38.4	177.1	-66.2	170.8	0	0	0	111.9	L75 F222 V322 E326 S327 W334 V335	L75-L331 HydrophobicContact CB-CB 4.45Å; L75-L331 HydrophobicContact CD1-CB 4.12Å; L75-L331 HydrophobicContact CD2-CB 4.15Å; L75-L331 HydrophobicContact CG-CB 4.48Å; F222-L331 HydrophobicContact CE1-CD2 4.06Å; V322-L331 HydrophobicContact CG1-CD2 3.93Å; E326-L331 HydrophobicContact CB-CD2 4.1Å; E326-L331 HydrophobicContact CB-CG 3.96Å; S327-L331 WeakPolarHBondContact O-CG 3.42Å; S327-L331 PolarHBondContact O-N 3.28Å; L331-W334 HydrophobicContact CD2-CE3 4.35Å; L331-V335 WeakPolarHBondContact O-CB 3.33Å; L331-V335 VanDerWaalsContact O-CG2 3.3Å; L331-V335 WeakPolarHBondContact O-CG2 3.4Å; L331-V335 PolarHBondContact O-N 3.14Å
332	E	97.6	Very high	96.4	Very high	44 Å²	44	39 Å²	39	21%	0.206	18%	0.181	C	C	.	.	H	α-helix	trans	-66.8	-39.5	175.8	-177	169.2	172.1	0	0	112.2	R63 L65 L75 L328 E329 T330 R336	R63-E332 WeakPolarHBondContact CD-OE2 3.36Å; R63-E332 IonicContact CZ-OE2 3.44Å; R63-E332 IonicContact NE-OE2 3.85Å; R63-E332 IonicContact NH1-OE2 2.73Å; R63-E332 PolarHBondContact NH1-OE2 3.33Å; L65-E332 HydrophobicContact CD2-CB 4.36Å; L65-E332 HydrophobicContact CD2-CG 3.82Å; L75-E332 HydrophobicContact CD1-CB 3.6Å; L75-E332 HydrophobicContact CD1-CG 4.42Å; L328-E332 WeakPolarHBondContact O-CB 3.44Å; L328-E332 PolarHBondContact O-N 3.26Å; E329-E332 PolarHBondContact O-N 3.21Å; T330-E332 VanDerWaalsContact C-N 3.33Å; T330-E332 PolarHBondContact O-N 3.1Å; E332-R336 HydrophobicContact CG-CG 4.33Å; E332-R336 VanDerWaalsContact CG-NE 3.35Å; E332-R336 WeakPolarHBondContact O-CB 3.17Å; E332-R336 WeakPolarHBondContact O-CG 3.44Å; E332-R336 PolarHBondContact O-N 3.31Å; E332-R336 IonicContact OE1-CZ 2.74Å; E332-R336 IonicContact OE1-NE 2.69Å; E332-R336 PolarHBondContact OE1-NE 3.33Å; E332-R336 IonicContact OE1-NH2 2.69Å; E332-R336 PolarHBondContact OE1-NH2 2.91Å
333	E	97.7	Very high	96.3	Very high	127 Å²	127	41.5 Å²	41.5	59%	0.593	20%	0.197	S	C	*	.	H	α-helix	trans	-61.8	-53	174.6	-178.4	168.9	-163.8	0	0	111	E329 T330 V335 R336 E337	E329-E333 WeakPolarHBondContact O-CB 3.43Å; E329-E333 PolarHBondContact O-N 3Å; T330-E333 PolarHBondContact O-N 3.16Å; E333-V335 PolarHBondContact O-N 2.89Å; E333-R336 PolarHBondContact O-N 2.98Å; E333-E337 WeakPolarHBondContact O-CB 3.49Å; E333-E337 PolarHBondContact O-N 3.27Å
334	W	97.8	Very high	96.4	Very high	35 Å²	35	44.9 Å²	44.9	13%	0.133	22%	0.215	C	C	.	.	H	α-helix	trans	-60.2	-46.3	-179.7	-62.7	-5.2	0	0	0	111.8	F222 R223 L226 E326 T330 L331 R336 E337 I338	F222-W334 HydrophobicContact CD1-CE3 4.48Å; F222-W334 HydrophobicContact CD1-CZ3 4.07Å; R223-W334 HydrophobicContact CB-CD2 3.94Å; R223-W334 HydrophobicContact CB-CE3 3.87Å; R223-W334 HydrophobicContact CB-CH2 4.01Å; R223-W334 HydrophobicContact CB-CZ2 4.08Å; R223-W334 HydrophobicContact CB-CZ3 3.91Å; R223-W334 HydrophobicContact CG-CD2 3.74Å; R223-W334 HydrophobicContact CG-CE3 4.14Å; R223-W334 HydrophobicContact CG-CG 3.94Å; R223-W334 HydrophobicContact CG-CZ2 4.4Å; L226-W334 HydrophobicContact CD1-CE3 4.32Å; E326-W334 HydrophobicContact CG-CH2 3.65Å; E326-W334 HydrophobicContact CG-CZ2 4.49Å; E326-W334 HydrophobicContact CG-CZ3 3.86Å; T330-W334 HydrophobicContact CG2-CD2 3.89Å; T330-W334 HydrophobicContact CG2-CE3 4.35Å; T330-W334 HydrophobicContact CG2-CH2 3.85Å; T330-W334 HydrophobicContact CG2-CZ2 3.3Å; T330-W334 HydrophobicContact CG2-CZ3 4.33Å; T330-W334 VanDerWaalsContact O-CG 3.28Å; T330-W334 PolarHBondContact O-N 3.46Å; L331-W334 HydrophobicContact CD2-CE3 4.35Å; W334-R336 VanDerWaalsContact C-N 3.34Å; W334-R336 PolarHBondContact O-N 2.91Å; W334-E337 PolarHBondContact O-N 3.17Å; W334-I338 HydrophobicContact CB-CD1 4.45Å; W334-I338 WeakPolarHBondContact O-CB 3.22Å; W334-I338 VanDerWaalsContact O-CG1 3.31Å; W334-I338 WeakPolarHBondContact O-CG1 3.43Å; W334-I338 PolarHBondContact O-N 3.1Å
335	V	97.9	Very high	96.4	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.006	23%	0.225	C	C	.	.	H	α-helix	trans	-65.6	-38	179.2	171.8	0	0	0	0	111.9	L67 V73 L75 L320 V322 L331 E333 F339	L67-V335 HydrophobicContact CD1-CG1 4.18Å; V73-V335 HydrophobicContact CG1-CG1 4.04Å; V73-V335 HydrophobicContact CG2-CG1 3.96Å; L75-V335 HydrophobicContact CD2-CB 4.43Å; L75-V335 HydrophobicContact CD2-CG2 3.89Å; L320-V335 HydrophobicContact CD2-CG1 3.93Å; L320-V335 HydrophobicContact CD2-CG2 4.34Å; V322-V335 HydrophobicContact CG2-CG2 3.85Å; L331-V335 WeakPolarHBondContact O-CB 3.33Å; L331-V335 VanDerWaalsContact O-CG2 3.3Å; L331-V335 WeakPolarHBondContact O-CG2 3.4Å; L331-V335 PolarHBondContact O-N 3.14Å; E333-V335 PolarHBondContact O-N 2.89Å; V335-F339 HydrophobicContact CB-CD2 4.38Å; V335-F339 HydrophobicContact CG1-CB 4.35Å; V335-F339 HydrophobicContact CG1-CD2 4.12Å; V335-F339 HydrophobicContact CG1-CG 4.47Å; V335-F339 HydrophobicContact CG2-CD2 4.37Å; V335-F339 HydrophobicContact CG2-CE2 4.5Å; V335-F339 WeakPolarHBondContact O-CB 3.34Å; V335-F339 PolarHBondContact O-N 3.1Å
336	R	97.7	Very high	96.6	Very high	100 Å²	100	46.6 Å²	46.6	38%	0.377	24%	0.244	S	C	.	.	H	α-helix	trans	-70.1	-29.6	177	-76.2	-178.5	-174.9	-57.1	-2.9	113.4	L67 E332 E333 W334 I340	L67-R336 HydrophobicContact CD2-CG 3.71Å; E332-R336 HydrophobicContact CG-CG 4.33Å; E332-R336 VanDerWaalsContact CG-NE 3.35Å; E332-R336 WeakPolarHBondContact O-CB 3.17Å; E332-R336 WeakPolarHBondContact O-CG 3.44Å; E332-R336 PolarHBondContact O-N 3.31Å; E332-R336 IonicContact OE1-CZ 2.74Å; E332-R336 IonicContact OE1-NE 2.69Å; E332-R336 PolarHBondContact OE1-NE 3.33Å; E332-R336 IonicContact OE1-NH2 2.69Å; E332-R336 PolarHBondContact OE1-NH2 2.91Å; E333-R336 PolarHBondContact O-N 2.98Å; W334-R336 VanDerWaalsContact C-N 3.34Å; W334-R336 PolarHBondContact O-N 2.91Å; R336-I340 VanDerWaalsContact O-CB 3.3Å; R336-I340 WeakPolarHBondContact O-CB 3.48Å; R336-I340 WeakPolarHBondContact O-CG2 3.44Å
337	E	97.1	Very high	96.7	Very high	99 Å²	99	49.9 Å²	49.9	46%	0.463	26%	0.258	S	S	.	.	H	α-helix	trans	-76.7	-49	176.2	-176.5	179.3	-152.9	0	0	111.4	R223 E333 W334	R223-E337 IonicContact CZ-OE2 2.76Å; R223-E337 IonicContact NE-OE2 2.8Å; R223-E337 IonicContact NH2-OE1 2.87Å; R223-E337 IonicContact NH2-OE2 3.91Å; R223-E337 PolarHBondContact NH2-OE2 3.08Å; E333-E337 WeakPolarHBondContact O-CB 3.49Å; E333-E337 PolarHBondContact O-N 3.27Å; W334-E337 PolarHBondContact O-N 3.17Å
338	I	97.6	Very high	96.7	Very high	6 Å²	6	53.8 Å²	53.8	3%	0.031	28%	0.283	C	S	.	.	H	α-helix	trans	-78.4	-61.5	-172.3	-62.7	167.3	0	0	0	110.8	R223 L226 D227 A230 W334 I340 Q341	R223-I338 HydrophobicContact CG-CD1 4.5Å; L226-I338 HydrophobicContact CB-CD1 3.91Å; D227-I338 HydrophobicContact CB-CD1 4.08Å; D227-I338 HydrophobicContact CB-CG1 4.39Å; A230-I338 HydrophobicContact CB-CG2 3.29Å; W334-I338 HydrophobicContact CB-CD1 4.45Å; W334-I338 WeakPolarHBondContact O-CB 3.22Å; W334-I338 VanDerWaalsContact O-CG1 3.31Å; W334-I338 WeakPolarHBondContact O-CG1 3.43Å; W334-I338 PolarHBondContact O-N 3.1Å; I338-I340 VanDerWaalsContact C-N 3.34Å; I338-I340 PolarHBondContact O-N 2.91Å; I338-Q341 PolarHBondContact O-N 2.96Å
339	F	97.8	Very high	96.5	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-81.9	-7	-165.3	-65.5	-100.6	0	0	0	114.4	L67 N69 L71 L154 L226 W229 A230 L320 V335 Q341 I342	L67-F339 HydrophobicContact CD1-CB 3.98Å; N69-F339 PolarHBondContact ND2-O 2.67Å; L71-F339 HydrophobicContact CD2-CB 3.67Å; L71-F339 HydrophobicContact CD2-CD1 4.19Å; L71-F339 HydrophobicContact CD2-CG 4.23Å; L154-F339 HydrophobicContact CD1-CD1 4.47Å; L154-F339 HydrophobicContact CD1-CE1 4.37Å; L226-F339 HydrophobicContact CB-CE2 4.37Å; L226-F339 HydrophobicContact CD2-CE2 4.03Å; L226-F339 HydrophobicContact CD2-CZ 3.93Å; W229-F339 AromaticContact CE3-CE1 3.95Å; W229-F339 HydrophobicContact CE3-CE1 3.95Å; W229-F339 AromaticContact CE3-CZ 3.84Å; W229-F339 HydrophobicContact CE3-CZ 3.84Å; W229-F339 AromaticContact CZ3-CE1 3.73Å; W229-F339 HydrophobicContact CZ3-CE1 3.73Å; W229-F339 AromaticContact CZ3-CZ 3.78Å; W229-F339 HydrophobicContact CZ3-CZ 3.78Å; A230-F339 HydrophobicContact CB-CD1 4.28Å; A230-F339 HydrophobicContact CB-CE1 3.96Å; A230-F339 HydrophobicContact CB-CE2 4.47Å; A230-F339 HydrophobicContact CB-CZ 4.06Å; L320-F339 HydrophobicContact CD1-CE1 4.03Å; L320-F339 HydrophobicContact CD1-CZ 4.23Å; L320-F339 HydrophobicContact CD2-CB 4.49Å; L320-F339 HydrophobicContact CD2-CD1 3.64Å; L320-F339 HydrophobicContact CD2-CD2 3.94Å; L320-F339 HydrophobicContact CD2-CE1 3.75Å; L320-F339 HydrophobicContact CD2-CE2 4.03Å; L320-F339 HydrophobicContact CD2-CG 3.75Å; L320-F339 HydrophobicContact CD2-CZ 3.95Å; V335-F339 HydrophobicContact CB-CD2 4.38Å; V335-F339 HydrophobicContact CG1-CB 4.35Å; V335-F339 HydrophobicContact CG1-CD2 4.12Å; V335-F339 HydrophobicContact CG1-CG 4.47Å; V335-F339 HydrophobicContact CG2-CD2 4.37Å; V335-F339 HydrophobicContact CG2-CE2 4.5Å; V335-F339 WeakPolarHBondContact O-CB 3.34Å; V335-F339 PolarHBondContact O-N 3.1Å; F339-Q341 PolarHBondContact O-N 2.96Å; F339-I342 HydrophobicContact CB-CD1 4.27Å; F339-I342 HydrophobicContact CD1-CD1 3.7Å; F339-I342 HydrophobicContact CG-CD1 4.44Å; F339-I342 PolarHBondContact O-N 2.83Å
340	I	97.3	Very high	96.4	Very high	74 Å²	74	56.3 Å²	56.3	38%	0.379	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-65.6	-20	173.3	-162.5	58.8	0	0	0	112.6	L67 N69 R336 I338 I342	L67-I340 HydrophobicContact CB-CD1 4.21Å; N69-I340 HydrophobicContact CB-CD1 4.35Å; N69-I340 PolarHBondContact ND2-O 2.91Å; R336-I340 VanDerWaalsContact O-CB 3.3Å; R336-I340 WeakPolarHBondContact O-CB 3.48Å; R336-I340 WeakPolarHBondContact O-CG2 3.44Å; I338-I340 VanDerWaalsContact C-N 3.34Å; I338-I340 PolarHBondContact O-N 2.91Å; I340-I342 VanDerWaalsContact C-N 3.33Å
341	Q	96.8	Very high	96.2	Very high	109 Å²	109	59.2 Å²	59.2	51%	0.509	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-76.5	-18.9	-179.8	-60.9	-176.9	75.5	0	0	112.7	I234 I338 F339	I234-Q341 HydrophobicContact CD1-CB 3.8Å; I234-Q341 HydrophobicContact CG1-CB 4.01Å; I234-Q341 HydrophobicContact CG2-CB 4.14Å; I338-Q341 PolarHBondContact O-N 2.96Å; F339-Q341 PolarHBondContact O-N 2.96Å
342	I	97.5	Very high	96.1	Very high	2 Å²	2	60.7 Å²	60.7	1%	0.01	32%	0.318	C	S	.	.	S	Bend	trans	-58.9	127	176.9	-62.6	178.6	0	0	0	108.8	N69 L154 F233 I234 A315 M318 F339 I340	N69-I342 PolarHBondContact ND2-O 3.18Å; L154-I342 HydrophobicContact CD1-CD1 4.37Å; F233-I342 HydrophobicContact CB-CD1 3.65Å; F233-I342 HydrophobicContact CB-CG1 3.9Å; F233-I342 HydrophobicContact CB-CG2 4.28Å; F233-I342 HydrophobicContact CD2-CD1 4.39Å; F233-I342 HydrophobicContact CG-CD1 4.32Å; I234-I342 HydrophobicContact CG1-CG1 3.78Å; A315-I342 HydrophobicContact CB-CB 4.15Å; A315-I342 HydrophobicContact CB-CG2 3.76Å; M318-I342 HydrophobicContact CE-CG2 4.45Å; M318-I342 HydrophobicContact SD-CD1 4.47Å; M318-I342 HydrophobicContact SD-CG2 3.77Å; F339-I342 HydrophobicContact CB-CD1 4.27Å; F339-I342 HydrophobicContact CD1-CD1 3.7Å; F339-I342 HydrophobicContact CG-CD1 4.44Å; F339-I342 PolarHBondContact O-N 2.83Å; I340-I342 VanDerWaalsContact C-N 3.33Å
343	P	96.8	Very high	95.8	Very high	53 Å²	53	60.8 Å²	60.8	34%	0.344	32%	0.324	S	S	.	.			trans	-66	139.1	-173.8	26.3	-34.3	0	0	0	111.7	F233 W309 S314 A315	F233-P343 WeakPolarHBondContact O-CD 3.05Å; W309-P343 HydrophobicContact CH2-CG 4.48Å; S314-P343 CarbonylContact C-O 3.57Å; S314-P343 VanDerWaalsContact CA-O 3.27Å; S314-P343 WeakPolarHBondContact CA-O 3.29Å; S314-P343 PolarHBondContact OG-O 3.13Å; A315-P343 PolarHBondContact N-O 2.87Å
344	N	96.8	Very high	95.6	Very high	74 Å²	74	61.1 Å²	61.1	40%	0.396	33%	0.325	S	S	.	.			trans	-102.2	114.9	162.7	-176.8	-43.4	0	0	0	108.8	N69 H316 G346	N69-N344 HydrophobicContact CB-CB 4.4Å; N69-N344 PolarHBondContact O-ND2 3.01Å; H316-N344 PolarHBondContact CE1-OD1 2.81Å; H316-N344 VanDerWaalsContact CE1-OD1 3.28Å; H316-N344 VanDerWaalsContact ND1-CG 3.31Å; H316-N344 PolarHBondContact ND1-ND2 2.94Å; H316-N344 PolarHBondContact ND1-OD1 3.24Å; N344-G346 VanDerWaalsContact C-N 3.31Å; N344-G346 PolarHBondContact O-N 3.38Å; N344-G346 WeakPolarHBondContact OD1-CA 3.46Å; N344-G346 PolarHBondContact OD1-N 2.87Å
345	N	95.2	Very high	95.5	Very high	43 Å²	43	61.3 Å²	61.3	23%	0.23	33%	0.328	C	S	.	.			trans	-81.9	-3.5	-176.6	72.1	29.2	0	0	0	114.6	R311 S314 Y317 K347	R311-N345 PolarHBondContact O-ND2 3.06Å; S314-N345 WeakPolarHBondContact CB-ND2 3.2Å; S314-N345 PolarHBondContact OG-N 3.25Å; S314-N345 PolarHBondContact OG-ND2 3.33Å; Y317-N345 PolarHBondContact OH-OD1 3.01Å; Y317-N345 VanDerWaalsContact OH-OD1 3.09Å; N345-K347 PolarHBondContact O-N 3.14Å; N345-K347 VanDerWaalsContact OD1-CB 3.3Å; N345-K347 WeakPolarHBondContact OD1-CB 3.43Å; N345-K347 PolarHBondContact OD1-N 3.22Å
346	G	94.1	Very high	95.3	Very high	65 Å²	65	65.8 Å²	65.8	67%	0.67	35%	0.349	S	S	*	.			trans	67.8	7.7	178.2	0	0	0	0	0	116.2	N344	N344-G346 VanDerWaalsContact C-N 3.31Å; N344-G346 PolarHBondContact O-N 3.38Å; N344-G346 WeakPolarHBondContact OD1-CA 3.46Å; N344-G346 PolarHBondContact OD1-N 2.87Å
347	K	95.4	Very high	94.9	Very high	103 Å²	103	67 Å²	67	45%	0.448	36%	0.359	S	S	.	.	S	Bend	trans	-97.7	155.7	-179.7	-62.9	169.5	-174.7	168.3	0	110.7	H316 Y317 N345	H316-K347 PolarHBondContact NE2-O 2.86Å; Y317-K347 WeakPolarHBondContact CE1-O 3.42Å; Y317-K347 VanDerWaalsContact OH-C 3.32Å; Y317-K347 PolarHBondContact OH-O 3.06Å; N345-K347 PolarHBondContact O-N 3.14Å; N345-K347 VanDerWaalsContact OD1-CB 3.3Å; N345-K347 WeakPolarHBondContact OD1-CB 3.43Å; N345-K347 PolarHBondContact OD1-N 3.22Å
348	P	93.8	Very high	94.8	Very high	104 Å²	104	62.2 Å²	62.2	68%	0.675	34%	0.337	S	S	*	.	P	Polyproline II helix	trans	-63.3	149	167.9	28.7	-35.3	0	0	0	111.3	R311 Y317	R311-P348 PolarHBondContact NH1-O 2.79Å; R311-P348 PolarHBondContact NH2-O 2.9Å; Y317-P348 PolarHBondContact OH-O 3.22Å
349	Q	92.9	Very high	94.7	Very high	77 Å²	77	62.4 Å²	62.4	36%	0.36	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-57.4	151.8	167	-167.7	175.8	-17.1	0	0	109.6	G157 Y317 D351	G157-Q349 WeakPolarHBondContact O-CG 3.47Å; G157-Q349 PolarHBondContact O-NE2 3.17Å; Y317-Q349 HydrophobicContact CD1-CB 3.59Å; Y317-Q349 HydrophobicContact CD1-CG 3.93Å; Y317-Q349 HydrophobicContact CD2-CG 4.45Å; Y317-Q349 VanDerWaalsContact CE1-CA 3.41Å; Y317-Q349 HydrophobicContact CE1-CB 3.73Å; Y317-Q349 HydrophobicContact CE1-CG 4.45Å; Y317-Q349 HydrophobicContact CG-CB 4.14Å; Y317-Q349 HydrophobicContact CG-CG 3.97Å; Q349-D351 PolarHBondContact O-N 3.04Å
350	P	92.8	Very high	94.4	Very high	32 Å²	32	68.7 Å²	68.7	21%	0.208	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-52	136.3	163.2	-24.8	36.2	0	0	0	110.6	V158 F352	V158-P350 HydrophobicContact CG1-CG 4.44Å; V158-P350 HydrophobicContact CG2-CG 4Å; P350-F352 HydrophobicContact CB-CE2 3.89Å; P350-F352 HydrophobicContact CB-CZ 4.01Å
351	D	92.1	Very high	94.1	Very high	95 Å²	95	66.5 Å²	66.5	51%	0.508	36%	0.361	S	S	.	.			trans	-135.9	114.5	-179.3	166.2	25.1	0	0	0	108.6	Q349 S353 H354	Q349-D351 PolarHBondContact O-N 3.04Å; D351-S353 WeakPolarHBondContact OD1-CB 3.44Å; D351-S353 PolarHBondContact OD1-N 3.18Å; D351-S353 PolarHBondContact OD1-OG 2.84Å; D351-S353 PolarHBondContact OD2-OG 3.32Å; D351-H354 PolarHBondContact O-CE1 2.97Å; D351-H354 PolarHBondContact O-ND1 3.26Å; D351-H354 VanDerWaalsContact O-ND1 3.1Å
352	F	94.8	Very high	93.6	Very high	31 Å²	31	67.3 Å²	67.3	14%	0.136	38%	0.376	C	S	.	.			trans	-102.3	-0.8	-179.9	-53.1	-79	0	0	0	112.6	F161 E209 P278 P350 H354 L355 T439	F161-F352 HydrophobicContact CB-CD2 4.21Å; F161-F352 HydrophobicContact CB-CE1 4.31Å; F161-F352 HydrophobicContact CB-CE2 3.73Å; F161-F352 HydrophobicContact CB-CZ 3.78Å; F161-F352 HydrophobicContact CD2-CD2 4.24Å; F161-F352 HydrophobicContact CD2-CG 4.41Å; E209-F352 HydrophobicContact CG-CD2 4.36Å; E209-F352 WeakPolarHBondContact OE1-CD2 3.19Å; P278-F352 HydrophobicContact CG-CD1 4.04Å; P278-F352 HydrophobicContact CG-CE1 4.39Å; P350-F352 HydrophobicContact CB-CE2 3.89Å; P350-F352 HydrophobicContact CB-CZ 4.01Å; F352-H354 PolarHBondContact O-N 2.98Å; F352-L355 HydrophobicContact CB-CD1 4.46Å; F352-L355 HydrophobicContact CD1-CD1 4.1Å; F352-L355 WeakPolarHBondContact O-CA 3.46Å; F352-L355 VanDerWaalsContact O-CB 3.3Å; F352-L355 WeakPolarHBondContact O-CB 3.2Å; F352-L355 PolarHBondContact O-N 3.09Å; F352-T439 HydrophobicContact CB-CG2 3.47Å; F352-T439 VanDerWaalsContact CB-CG2 3.47Å; F352-T439 VanDerWaalsContact O-CG2 3.32Å; F352-T439 WeakPolarHBondContact O-CG2 3.33Å
353	S	92.9	Very high	93.3	Very high	46 Å²	46	68.8 Å²	68.8	32%	0.322	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-13.8	-173.9	69.5	0	0	0	0	115.5	D351 Q356 S438	D351-S353 WeakPolarHBondContact OD1-CB 3.44Å; D351-S353 PolarHBondContact OD1-N 3.18Å; D351-S353 PolarHBondContact OD1-OG 2.84Å; D351-S353 PolarHBondContact OD2-OG 3.32Å; S353-Q356 VanDerWaalsContact O-CG 3.25Å; S353-Q356 WeakPolarHBondContact O-CG 3.48Å; S353-Q356 PolarHBondContact O-NE2 2.84Å; S353-S438 WeakPolarHBondContact CA-O 3.49Å; S353-S438 PolarHBondContact N-OG 3.46Å
354	H	93.5	Very high	93.2	Very high	134 Å²	134	66.8 Å²	66.8	62%	0.62	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-14.8	172.5	69.2	-81.6	0	0	0	113.6	D351 F352 Q356	D351-H354 PolarHBondContact O-CE1 2.97Å; D351-H354 PolarHBondContact O-ND1 3.26Å; D351-H354 VanDerWaalsContact O-ND1 3.1Å; F352-H354 PolarHBondContact O-N 2.98Å; H354-Q356 VanDerWaalsContact C-N 3.3Å; H354-Q356 PolarHBondContact O-N 2.89Å
355	L	94.7	Very high	93	Very high	39 Å²	39	65.4 Å²	65.4	20%	0.204	37%	0.366	C	S	.	.	S	Bend	trans	-91.6	37.3	-178	-60.5	-178.7	0	0	0	113	R274 H277 P278 F352	R274-L355 VanDerWaalsContact NH2-CA 3.32Å; R274-L355 PolarHBondContact NH2-O 3.11Å; H277-L355 PolarHBondContact NE2-O 3.5Å; H277-L355 VanDerWaalsContact NE2-O 3.13Å; P278-L355 HydrophobicContact CG-CD1 4.33Å; F352-L355 HydrophobicContact CB-CD1 4.46Å; F352-L355 HydrophobicContact CD1-CD1 4.1Å; F352-L355 WeakPolarHBondContact O-CA 3.46Å; F352-L355 VanDerWaalsContact O-CB 3.3Å; F352-L355 WeakPolarHBondContact O-CB 3.2Å; F352-L355 PolarHBondContact O-N 3.09Å
356	Q	93.3	Very high	93.1	Very high	96 Å²	96	65.1 Å²	65.1	45%	0.449	36%	0.362	S	S	.	.			trans	-62.5	158.6	-178.4	-57.3	-178.6	9.9	0	0	113.3	R274 S353 H354 T439	R274-Q356 VanDerWaalsContact CZ-O 3.26Å; R274-Q356 PolarHBondContact NH1-O 3.02Å; R274-Q356 PolarHBondContact NH2-O 3.27Å; S353-Q356 VanDerWaalsContact O-CG 3.25Å; S353-Q356 WeakPolarHBondContact O-CG 3.48Å; S353-Q356 PolarHBondContact O-NE2 2.84Å; H354-Q356 VanDerWaalsContact C-N 3.3Å; H354-Q356 PolarHBondContact O-N 2.89Å; Q356-T439 WeakPolarHBondContact CA-O 3.47Å
357	Q	90.8	Very high	93.2	Very high	124 Å²	124	62.2 Å²	62.2	58%	0.579	33%	0.331	S	S	*	.			trans	57.9	56.4	177.2	-57.6	174	-29	0	0	113.8	R274 F359 D360	R274-Q357 PolarHBondContact NH1-O 3.15Å; Q357-F359 PolarHBondContact O-N 3.3Å; Q357-D360 HydrophobicContact CB-CB 4.22Å; Q357-D360 PolarHBondContact O-N 3.49Å
358	P	94.3	Very high	93.3	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-27.8	177	23.6	-30.3	0	0	0	113.8	A273 R274 H277 Y440	A273-P358 HydrophobicContact CB-CB 4.03Å; R274-P358 PolarHBondContact N-O 3.01Å; H277-P358 HydrophobicContact CB-CB 4.32Å; P358-Y440 HydrophobicContact CG-CD1 3.23Å; P358-Y440 HydrophobicContact CG-CE1 3.67Å; P358-Y440 HydrophobicContact CG-CG 4.07Å
359	F	95.4	Very high	93.4	Very high	9 Å²	9	55.1 Å²	55.1	4%	0.039	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	10.4	-176.7	-61.2	-67	0	0	0	114.4	F269 L272 A273 M279 Q357 T361 F364 A384 Y440 I442	F269-F359 HydrophobicContact CD1-CE1 4.22Å; F269-F359 AromaticContact CD1-CZ 3.94Å; F269-F359 HydrophobicContact CD1-CZ 3.94Å; F269-F359 AromaticContact CE1-CE1 4Å; F269-F359 HydrophobicContact CE1-CE1 4Å; F269-F359 AromaticContact CE1-CE2 3.95Å; F269-F359 HydrophobicContact CE1-CE2 3.95Å; F269-F359 AromaticContact CE1-CZ 3.54Å; F269-F359 HydrophobicContact CE1-CZ 3.54Å; F269-F359 HydrophobicContact CZ-CZ 4.42Å; L272-F359 HydrophobicContact CB-CD1 4.32Å; L272-F359 HydrophobicContact CB-CE1 4.32Å; A273-F359 HydrophobicContact CB-CD1 4.26Å; A273-F359 HydrophobicContact CB-CE1 3.81Å; A273-F359 HydrophobicContact CB-CZ 4.25Å; M279-F359 HydrophobicContact CE-CZ 4.01Å; M279-F359 HydrophobicContact CG-CZ 3.98Å; Q357-F359 PolarHBondContact O-N 3.3Å; F359-T361 PolarHBondContact O-N 2.78Å; F359-F364 HydrophobicContact CB-CB 4.38Å; F359-F364 HydrophobicContact CB-CD1 4.4Å; F359-F364 HydrophobicContact CB-CD2 3.58Å; F359-F364 HydrophobicContact CB-CE2 3.85Å; F359-F364 HydrophobicContact CB-CG 3.87Å; F359-F364 HydrophobicContact CB-CZ 4.38Å; F359-F364 AromaticContact CD1-CD2 3.54Å; F359-F364 HydrophobicContact CD1-CD2 3.54Å; F359-F364 AromaticContact CD1-CE2 3.77Å; F359-F364 HydrophobicContact CD1-CE2 3.77Å; F359-F364 HydrophobicContact CD2-CE2 4.42Å; F359-F364 HydrophobicContact CE1-CD2 4.45Å; F359-F364 HydrophobicContact CE1-CE2 4.43Å; F359-F364 AromaticContact CG-CD2 3.75Å; F359-F364 HydrophobicContact CG-CD2 3.75Å; F359-F364 AromaticContact CG-CE2 3.75Å; F359-F364 HydrophobicContact CG-CE2 3.75Å; F359-F364 VanDerWaalsContact O-CB 3.31Å; F359-F364 WeakPolarHBondContact O-CB 3.25Å; F359-A384 HydrophobicContact CB-CB 3.72Å; F359-A384 HydrophobicContact CD2-CB 3.79Å; F359-A384 HydrophobicContact CG-CB 4.14Å; F359-Y440 HydrophobicContact CE2-CD1 4.38Å; F359-Y440 HydrophobicContact CE2-CD2 4.23Å; F359-Y440 HydrophobicContact CE2-CE1 4.21Å; F359-Y440 HydrophobicContact CE2-CE2 4.06Å; F359-Y440 HydrophobicContact CE2-CG 4.43Å; F359-I442 HydrophobicContact CD2-CD1 4.01Å; F359-I442 HydrophobicContact CE2-CD1 3.82Å
360	D	91.6	Very high	93.6	Very high	133 Å²	133	51.7 Å²	51.7	71%	0.711	27%	0.272	S	S	*	.			trans	-75.1	69.4	167.1	-172.5	25.3	0	0	0	109.8	Q357	Q357-D360 HydrophobicContact CB-CB 4.22Å; Q357-D360 PolarHBondContact O-N 3.49Å
361	T	90.3	Very high	93.7	Very high	28 Å²	28	51.3 Å²	51.3	17%	0.172	27%	0.27	C	S	.	.	S	Bend	trans	-135.2	149.4	-177.3	80.5	0	0	0	0	110.5	L272 R274 F359 A363 F364	L272-T361 PolarHBondContact O-OG1 3.4Å; R274-T361 HydrophobicContact CB-CG2 4.06Å; F359-T361 PolarHBondContact O-N 2.78Å; T361-A363 PolarHBondContact O-N 2.74Å; T361-A363 PolarHBondContact OG1-N 3.09Å; T361-F364 PolarHBondContact O-N 2.78Å; T361-F364 PolarHBondContact OG1-N 2.86Å
362	P	87.8	Confident	93.7	Very high	126 Å²	126	47.1 Å²	47.1	82%	0.818	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-4.8	171.5	-22	33.9	0	0	0	114.6	K366	P362-K366 WeakPolarHBondContact O-CE 3.32Å
363	A	90.4	Very high	93.4	Very high	33 Å²	33	47 Å²	47	27%	0.273	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-37.1	174	0	0	0	0	0	111.4	T361 H365 K366 Y368	T361-A363 PolarHBondContact O-N 2.74Å; T361-A363 PolarHBondContact OG1-N 3.09Å; A363-H365 PolarHBondContact O-N 2.68Å; A363-K366 WeakPolarHBondContact O-CD 3.46Å; A363-K366 WeakPolarHBondContact O-CG 3.42Å; A363-Y368 PolarHBondContact O-OH 2.98Å
364	F	94.3	Very high	93.1	Very high	10 Å²	10	46.8 Å²	46.8	4%	0.044	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-45.8	-169.6	-169	-100.4	0	0	0	113.9	F269 F359 T361 K366 A384 N547	F269-F364 HydrophobicContact CE1-CE2 4.44Å; F269-F364 AromaticContact CE2-CE2 3.71Å; F269-F364 HydrophobicContact CE2-CE2 3.71Å; F269-F364 HydrophobicContact CE2-CZ 4.2Å; F269-F364 AromaticContact CZ-CE2 3.6Å; F269-F364 HydrophobicContact CZ-CE2 3.6Å; F269-F364 HydrophobicContact CZ-CZ 4.06Å; F359-F364 HydrophobicContact CB-CB 4.38Å; F359-F364 HydrophobicContact CB-CD1 4.4Å; F359-F364 HydrophobicContact CB-CD2 3.58Å; F359-F364 HydrophobicContact CB-CE2 3.85Å; F359-F364 HydrophobicContact CB-CG 3.87Å; F359-F364 HydrophobicContact CB-CZ 4.38Å; F359-F364 AromaticContact CD1-CD2 3.54Å; F359-F364 HydrophobicContact CD1-CD2 3.54Å; F359-F364 AromaticContact CD1-CE2 3.77Å; F359-F364 HydrophobicContact CD1-CE2 3.77Å; F359-F364 HydrophobicContact CD2-CE2 4.42Å; F359-F364 HydrophobicContact CE1-CD2 4.45Å; F359-F364 HydrophobicContact CE1-CE2 4.43Å; F359-F364 AromaticContact CG-CD2 3.75Å; F359-F364 HydrophobicContact CG-CD2 3.75Å; F359-F364 AromaticContact CG-CE2 3.75Å; F359-F364 HydrophobicContact CG-CE2 3.75Å; F359-F364 VanDerWaalsContact O-CB 3.31Å; F359-F364 WeakPolarHBondContact O-CB 3.25Å; T361-F364 PolarHBondContact O-N 2.78Å; T361-F364 PolarHBondContact OG1-N 2.86Å; F364-K366 VanDerWaalsContact C-N 3.34Å; F364-K366 PolarHBondContact O-N 3.29Å; F364-A384 HydrophobicContact CE1-CB 4.33Å; F364-A384 HydrophobicContact CZ-CB 4.1Å; F364-N547 HydrophobicContact CD1-CB 4.24Å; F364-N547 HydrophobicContact CD2-CB 4.3Å; F364-N547 HydrophobicContact CE1-CB 3.88Å; F364-N547 HydrophobicContact CE2-CB 3.98Å; F364-N547 HydrophobicContact CG-CB 4.44Å; F364-N547 HydrophobicContact CZ-CB 3.76Å; F364-N547 WeakPolarHBondContact O-CA 3.49Å; F364-N547 WeakPolarHBondContact O-CB 3.44Å; F364-N547 PolarHBondContact O-ND2 2.95Å
365	H	93.2	Very high	92.8	Very high	46 Å²	46	43.3 Å²	43.3	21%	0.213	23%	0.225	C	C	.	.	S	Bend	trans	-83	74.6	-179.9	-174.5	49.1	0	0	0	112	A363 P543 A546	A363-H365 PolarHBondContact O-N 2.68Å; H365-P543 PolarHBondContact CE1-O 3.39Å; H365-A546 PolarHBondContact ND1-O 3.04Å
366	K	96.1	Very high	92.5	Very high	37 Å²	37	42.4 Å²	42.4	16%	0.161	22%	0.221	C	C	.	.	S	Bend	trans	-147.5	169.7	-177.5	-72.1	-174.6	179.9	-96.8	0	112.1	P362 A363 F364 Y368 L548 C572 D573 D574	P362-K366 WeakPolarHBondContact O-CE 3.32Å; A363-K366 WeakPolarHBondContact O-CD 3.46Å; A363-K366 WeakPolarHBondContact O-CG 3.42Å; F364-K366 VanDerWaalsContact C-N 3.34Å; F364-K366 PolarHBondContact O-N 3.29Å; K366-Y368 HydrophobicContact CB-CD2 4.33Å; K366-Y368 HydrophobicContact CB-CE2 3.74Å; K366-L548 PolarHBondContact O-N 2.89Å; K366-C572 WeakPolarHBondContact CD-SG 3.42Å; K366-D573 WeakPolarHBondContact CB-O 3.42Å; K366-D574 IonicContact NZ-OD1 3.28Å; K366-D574 PolarHBondContact NZ-OD1 2.86Å
367	L	96.8	Very high	92.6	Very high	4 Å²	4	38.1 Å²	38.1	2%	0.021	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	114.9	169.8	176.9	61.8	0	0	0	110.1	F457 L548 L550 D573 I575	L367-F457 HydrophobicContact CD1-CE2 4.15Å; L367-F457 HydrophobicContact CD2-CE2 4.04Å; L367-F457 HydrophobicContact CD2-CZ 4.06Å; L367-L548 CarbonylContact C-O 3.48Å; L367-L548 WeakPolarHBondContact CA-O 3.46Å; L367-L548 HydrophobicContact CD1-CB 3.79Å; L367-L550 HydrophobicContact CD1-CB 4.36Å; L367-D573 HydrophobicContact CB-CB 4.43Å; L367-D573 PolarHBondContact N-O 2.78Å; L367-D573 PolarHBondContact O-N 2.69Å; L367-I575 HydrophobicContact CB-CD1 4.12Å
368	Y	97.4	Very high	92.8	Very high	5 Å²	5	32.7 Å²	32.7	2%	0.02	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	128.5	173.4	-70.4	-94.2	0	0	0	109.5	L272 A363 K366 N547 L548 L550 Y570 S571 C572	L272-Y368 HydrophobicContact CD1-CD2 4.42Å; L272-Y368 HydrophobicContact CD1-CE1 4.28Å; L272-Y368 HydrophobicContact CD1-CE2 3.73Å; L272-Y368 HydrophobicContact CD2-CE1 3.75Å; L272-Y368 HydrophobicContact CD2-CE2 4.48Å; L272-Y368 WeakPolarHBondContact CD2-OH 3.4Å; A363-Y368 PolarHBondContact O-OH 2.98Å; K366-Y368 HydrophobicContact CB-CD2 4.33Å; K366-Y368 HydrophobicContact CB-CE2 3.74Å; Y368-N547 VanDerWaalsContact CD2-ND2 3.35Å; Y368-N547 WeakPolarHBondContact CD2-ND2 3.02Å; Y368-N547 WeakPolarHBondContact CE2-ND2 3.28Å; Y368-L548 PolarHBondContact N-O 2.73Å; Y368-L550 PolarHBondContact O-N 3.16Å; Y368-Y570 AromaticContact CD1-CD2 3.99Å; Y368-Y570 HydrophobicContact CD1-CD2 3.99Å; Y368-Y570 HydrophobicContact CD1-CE2 4.24Å; Y368-Y570 HydrophobicContact CE1-CD2 4.37Å; Y368-Y570 HydrophobicContact CE1-CE2 4.15Å; Y368-S571 WeakPolarHBondContact CA-O 3.4Å; Y368-C572 HydrophobicContact CD1-CB 4.22Å; Y368-C572 HydrophobicContact CE1-CB 3.96Å; Y368-C572 WeakPolarHBondContact CE1-SG 3.36Å
369	R	97.3	Very high	93	Very high	53 Å²	53	32.7 Å²	32.7	20%	0.2	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	125.6	172.4	-62.2	179.3	175.5	-78.6	-9.4	108	Y570 S571 D573	R369-Y570 CarbonylContact O-C 3.52Å; R369-Y570 WeakPolarHBondContact O-CA 3.38Å; R369-Y570 VanDerWaalsContact O-CB 3.25Å; R369-Y570 WeakPolarHBondContact O-CB 3.15Å; R369-S571 WeakPolarHBondContact CB-OG 3.27Å; R369-S571 PolarHBondContact N-O 2.77Å; R369-S571 PolarHBondContact O-N 3.37Å; R369-D573 IonicContact NE-OD2 2.75Å; R369-D573 PolarHBondContact NE-OD2 2.88Å
370	V	96.3	Very high	93.1	Very high	4 Å²	4	32.9 Å²	32.9	2%	0.024	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	141.7	-173.3	-176.5	0	0	0	0	109.6	L268 P372 L549 L550 L551 A552 N555 T568	L268-V370 HydrophobicContact CD2-CG2 3.67Å; V370-P372 WeakPolarHBondContact O-CD 3.46Å; V370-L549 HydrophobicContact CG2-CD1 4.13Å; V370-L549 HydrophobicContact CG2-CG 4.21Å; V370-L550 PolarHBondContact N-O 2.97Å; V370-L551 HydrophobicContact CB-CD1 3.87Å; V370-L551 HydrophobicContact CB-CG 4.14Å; V370-L551 HydrophobicContact CG1-CD1 4.31Å; V370-L551 HydrophobicContact CG1-CG 4.35Å; V370-L551 HydrophobicContact CG2-CD1 4.25Å; V370-A552 PolarHBondContact O-N 3.29Å; V370-A552 VanDerWaalsContact O-N 3.14Å; V370-N555 PolarHBondContact N-ND2 3.29Å; V370-N555 PolarHBondContact O-ND2 2.98Å; V370-T568 HydrophobicContact CG1-CG2 3.6Å
371	V	94.7	Very high	93.4	Very high	24 Å²	24	26.6 Å²	26.6	15%	0.145	15%	0.145	C	C	.	.			trans	-92.6	109.1	170.7	-170.4	0	0	0	0	108.6	N555 E556 C559 S569	V371-N555 HydrophobicContact CG2-CB 3.98Å; V371-E556 HydrophobicContact CG1-CB 4.21Å; V371-C559 HydrophobicContact CG2-CB 4.08Å; V371-S569 PolarHBondContact N-O 2.86Å
372	P	92.3	Very high	93.8	Very high	7 Å²	7	25.4 Å²	25.4	5%	0.045	14%	0.138	C	C	.	.			trans	-75.5	164.4	178.5	32.3	-35.6	0	0	0	112.3	D261 V370 R374 V376 L551 A552 P553	D261-P372 VanDerWaalsContact OD1-CA 3.24Å; D261-P372 WeakPolarHBondContact OD1-CA 3.27Å; V370-P372 WeakPolarHBondContact O-CD 3.46Å; P372-R374 WeakPolarHBondContact CB-O 3.2Å; P372-R374 WeakPolarHBondContact CG-O 3.04Å; P372-V376 HydrophobicContact CB-CG1 3.97Å; P372-V376 HydrophobicContact CG-CG1 4.23Å; P372-L551 HydrophobicContact CB-CB 4.43Å; P372-L551 HydrophobicContact CB-CD2 4.18Å; P372-L551 HydrophobicContact CB-CG 4.34Å; P372-L551 HydrophobicContact CG-CB 4.42Å; P372-A552 VanDerWaalsContact CD-C 3.42Å; P372-A552 WeakPolarHBondContact CD-O 3.41Å; P372-P553 HydrophobicContact CG-CG 4.21Å
373	V	87.5	Confident	94.2	Very high	28 Å²	28	19.4 Å²	19.4	17%	0.17	10%	0.099	C	C	.	.	S	Bend	trans	-86.5	-36.2	170	-177.3	0	0	0	0	110.7	P259 D261 Y1049	P259-V373 HydrophobicContact CB-CG1 4.2Å; P259-V373 WeakPolarHBondContact O-CB 3.49Å; P259-V373 WeakPolarHBondContact O-CG2 3.32Å; D261-V373 VanDerWaalsContact CG-N 3.33Å; D261-V373 PolarHBondContact OD1-N 2.75Å; D261-V373 PolarHBondContact OD2-N 3.42Å; V373-Y1049 PolarHBondContact O-OH 2.79Å
374	R	87.1	Confident	94.5	Very high	43 Å²	43	18.8 Å²	18.8	16%	0.162	9%	0.094	C	C	.	.	S	Bend	trans	-77	157.5	168.4	-84	172.8	-97.2	-147.3	-18.3	111.7	E123 D261 P372 V376 N743	E123-R374 IonicContact OE1-CZ 3.92Å; E123-R374 IonicContact OE1-NH1 2.84Å; E123-R374 IonicContact OE1-NH2 2.74Å; E123-R374 PolarHBondContact OE1-NH2 3.22Å; E123-R374 IonicContact OE2-CZ 3.51Å; E123-R374 IonicContact OE2-NH1 3.96Å; E123-R374 PolarHBondContact OE2-NH1 3.01Å; E123-R374 IonicContact OE2-NH2 2.78Å; E123-R374 PolarHBondContact OE2-NH2 2.81Å; D261-R374 PolarHBondContact OD2-N 3.46Å; D261-R374 IonicContact OD2-NE 2.66Å; P372-R374 WeakPolarHBondContact CB-O 3.2Å; P372-R374 WeakPolarHBondContact CG-O 3.04Å; R374-V376 HydrophobicContact CB-CB 4.4Å; R374-V376 HydrophobicContact CB-CG1 4.17Å; R374-V376 PolarHBondContact O-N 2.96Å; R374-N743 HydrophobicContact CG-CB 4.47Å
375	K	86.5	Confident	94.6	Very high	61 Å²	61	18.5 Å²	18.5	27%	0.265	9%	0.093	S	C	.	.	S	Bend	trans	-81.5	71.5	165.7	-80.5	-172.9	-177.2	160.7	0	110.6	P553 K739 F742 N743	K375-P553 HydrophobicContact CG-CG 4.38Å; K375-K739 HydrophobicContact CB-CB 4.37Å; K375-K739 HydrophobicContact CB-CG 4.24Å; K375-K739 WeakPolarHBondContact O-CD 3.33Å; K375-F742 HydrophobicContact CB-CD1 4.08Å; K375-F742 HydrophobicContact CB-CE1 4.37Å; K375-F742 HydrophobicContact CD-CD1 3.49Å; K375-F742 VanDerWaalsContact CD-CD1 3.49Å; K375-F742 HydrophobicContact CD-CD2 4.2Å; K375-F742 HydrophobicContact CD-CE1 3.58Å; K375-F742 HydrophobicContact CD-CE2 4.27Å; K375-F742 HydrophobicContact CD-CG 3.82Å; K375-F742 HydrophobicContact CD-CZ 3.97Å; K375-F742 HydrophobicContact CG-CD1 3.71Å; K375-F742 HydrophobicContact CG-CE1 3.59Å; K375-F742 HydrophobicContact CG-CZ 4.31Å; K375-N743 PolarHBondContact N-OD1 3.49Å
376	V	89.7	Confident	94.7	Very high	20 Å²	20	18.7 Å²	18.7	12%	0.121	10%	0.098	C	C	.	.			trans	-118.5	146.4	179.3	66.6	0	0	0	0	110.8	P372 R374 A378 L551 P553	P372-V376 HydrophobicContact CB-CG1 3.97Å; P372-V376 HydrophobicContact CG-CG1 4.23Å; R374-V376 HydrophobicContact CB-CB 4.4Å; R374-V376 HydrophobicContact CB-CG1 4.17Å; R374-V376 PolarHBondContact O-N 2.96Å; V376-A378 HydrophobicContact CG2-CB 4.36Å; V376-L551 HydrophobicContact CG1-CD2 4.44Å; V376-P553 WeakPolarHBondContact O-CD 3.47Å
377	H	94.8	Very high	94.6	Very high	6 Å²	6	18 Å²	18	3%	0.028	10%	0.097	C	C	.	.			trans	-110.4	115.4	163.5	-65.8	122.5	0	0	0	107.2	L449 D451 Y454 L551 E554 K739	H377-L449 HydrophobicContact CB-CB 3.84Å; H377-L449 PolarHBondContact O-N 2.89Å; H377-D451 IonicContact CE1-OD1 2.95Å; H377-D451 PolarHBondContact CE1-OD1 3.15Å; H377-D451 IonicContact ND1-OD1 3.11Å; H377-D451 PolarHBondContact ND1-OD1 3.47Å; H377-Y454 AromaticContact CD2-CG 3.84Å; H377-L551 WeakPolarHBondContact CA-O 3.37Å; H377-E554 IonicContact CD2-OE2 2.82Å; H377-E554 IonicContact CE1-OE1 3.89Å; H377-E554 IonicContact CE1-OE2 2.66Å; H377-E554 VanDerWaalsContact NE2-CD 3.3Å; H377-E554 IonicContact NE2-OE1 2.72Å; H377-E554 PolarHBondContact NE2-OE1 2.92Å; H377-E554 VanDerWaalsContact NE2-OE1 3.14Å; H377-E554 IonicContact NE2-OE2 3.2Å; H377-E554 PolarHBondContact NE2-OE2 3.48Å; H377-K739 PolarHBondContact CE1-NZ 3.16Å; H377-K739 PolarHBondContact ND1-NZ 2.81Å
378	A	96.2	Very high	94.5	Very high	10 Å²	10	18.7 Å²	18.7	8%	0.083	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	145.1	-179.9	0	0	0	0	0	111	V376 V447 L550 L551	V376-A378 HydrophobicContact CG2-CB 4.36Å; A378-V447 WeakPolarHBondContact CA-O 3.18Å; A378-L550 CarbonylContact O-C 3.56Å; A378-L550 WeakPolarHBondContact O-CA 3.25Å; A378-L551 HydrophobicContact CB-CB 4.21Å; A378-L551 PolarHBondContact N-O 3.33Å; A378-L551 VanDerWaalsContact N-O 3.11Å; A378-L551 PolarHBondContact O-N 3.18Å
379	L	97.8	Very high	94	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	113.8	174.9	165.4	68.1	0	0	0	108.5	I381 S446 V447 L449 V460 V461 L549 L550	L379-I381 HydrophobicContact CD1-CG1 4.18Å; L379-I381 HydrophobicContact CD2-CD1 4.31Å; L379-I381 HydrophobicContact CD2-CG1 4.48Å; L379-I381 HydrophobicContact CG-CD1 4.46Å; L379-I381 HydrophobicContact CG-CG1 4.1Å; L379-S446 CarbonylContact O-C 3.55Å; L379-S446 WeakPolarHBondContact O-CA 3.35Å; L379-V447 HydrophobicContact CB-CB 4.47Å; L379-V447 PolarHBondContact N-O 2.9Å; L379-V447 PolarHBondContact O-N 2.97Å; L379-L449 HydrophobicContact CB-CD1 3.8Å; L379-L449 HydrophobicContact CB-CG 4.21Å; L379-V460 HydrophobicContact CD2-CB 4.19Å; L379-V460 HydrophobicContact CD2-CG1 3.91Å; L379-V461 HydrophobicContact CD1-CG2 3.95Å; L379-V461 HydrophobicContact CD2-CG2 3.58Å; L379-V461 HydrophobicContact CG-CG2 4.35Å; L379-L549 WeakPolarHBondContact CA-O 3.45Å; L379-L550 HydrophobicContact CB-CD1 4.12Å; L379-L550 HydrophobicContact CD1-CD1 4.32Å
380	T	97.6	Very high	93.7	Very high	13 Å²	13	25 Å²	25	8%	0.08	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	130.9	172.1	-48	0	0	0	0	109.2	I445 L549	T380-I445 CarbonylContact C-O 3.49Å; T380-I445 WeakPolarHBondContact CA-O 3.43Å; T380-L549 PolarHBondContact N-O 3.04Å; T380-L549 PolarHBondContact O-N 2.94Å
381	I	98	Very high	93.7	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	111.4	177.1	-52.6	178.4	0	0	0	107.5	L379 W383 S444 I445 V461 V464 F465 A546 N547 L548	L379-I381 HydrophobicContact CD1-CG1 4.18Å; L379-I381 HydrophobicContact CD2-CD1 4.31Å; L379-I381 HydrophobicContact CD2-CG1 4.48Å; L379-I381 HydrophobicContact CG-CD1 4.46Å; L379-I381 HydrophobicContact CG-CG1 4.1Å; I381-W383 HydrophobicContact CB-CH2 4.25Å; I381-W383 HydrophobicContact CB-CZ3 4.26Å; I381-W383 HydrophobicContact CG2-CE3 4.41Å; I381-W383 HydrophobicContact CG2-CH2 3.35Å; I381-W383 HydrophobicContact CG2-CZ2 3.8Å; I381-W383 HydrophobicContact CG2-CZ3 3.69Å; I381-W383 WeakPolarHBondContact O-CZ3 3.38Å; I381-S444 CarbonylContact O-C 3.33Å; I381-S444 WeakPolarHBondContact O-CA 3.48Å; I381-I445 HydrophobicContact CB-CB 4.49Å; I381-I445 PolarHBondContact N-O 3.29Å; I381-I445 PolarHBondContact O-N 3.02Å; I381-V461 HydrophobicContact CD1-CB 4.34Å; I381-V461 HydrophobicContact CD1-CG1 4.27Å; I381-V461 HydrophobicContact CD1-CG2 4.05Å; I381-V464 HydrophobicContact CD1-CB 4.1Å; I381-V464 HydrophobicContact CD1-CG1 4.12Å; I381-V464 HydrophobicContact CD1-CG2 4.07Å; I381-F465 HydrophobicContact CG2-CE1 3.92Å; I381-F465 HydrophobicContact CG2-CZ 4.32Å; I381-A546 HydrophobicContact CG2-CB 3.95Å; I381-N547 WeakPolarHBondContact CA-O 3.16Å; I381-L548 HydrophobicContact CB-CD2 4.29Å; I381-L548 HydrophobicContact CD1-CD2 4.44Å; I381-L548 HydrophobicContact CG1-CD2 3.9Å; I381-L548 HydrophobicContact CG2-CD2 3.87Å
382	S	97.3	Very high	93.7	Very high	3 Å²	3	28 Å²	28	2%	0.021	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	145.2	-171.2	-56.3	0	0	0	0	113.1	F443 S444 A546 N547	S382-F443 CarbonylContact C-O 3.45Å; S382-F443 WeakPolarHBondContact CA-O 3.34Å; S382-S444 WeakPolarHBondContact CB-OG 3.26Å; S382-S444 PolarHBondContact OG-OG 3.37Å; S382-A546 CarbonylContact O-C 3.43Å; S382-A546 WeakPolarHBondContact O-CA 3.47Å; S382-N547 PolarHBondContact N-O 3.13Å; S382-N547 PolarHBondContact O-N 3.09Å
383	W	97.2	Very high	93.9	Very high	1 Å²	1	31.5 Å²	31.5	0%	0.004	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	136	175.5	-66.8	-91.4	0	0	0	110.7	I381 L385 I442 F443 I445 F465 L468 L541 T542 A546	I381-W383 HydrophobicContact CB-CH2 4.25Å; I381-W383 HydrophobicContact CB-CZ3 4.26Å; I381-W383 HydrophobicContact CG2-CE3 4.41Å; I381-W383 HydrophobicContact CG2-CH2 3.35Å; I381-W383 HydrophobicContact CG2-CZ2 3.8Å; I381-W383 HydrophobicContact CG2-CZ3 3.69Å; I381-W383 WeakPolarHBondContact O-CZ3 3.38Å; W383-L385 HydrophobicContact CB-CD1 3.8Å; W383-L385 WeakPolarHBondContact O-CD1 3.36Å; W383-I442 WeakPolarHBondContact O-CA 3.49Å; W383-F443 HydrophobicContact CE3-CD1 4.15Å; W383-F443 HydrophobicContact CZ3-CD1 4.38Å; W383-F443 PolarHBondContact N-O 2.97Å; W383-F443 PolarHBondContact O-N 3Å; W383-I445 HydrophobicContact CH2-CD1 3.97Å; W383-I445 HydrophobicContact CZ3-CD1 3.76Å; W383-I445 HydrophobicContact CZ3-CG1 4.05Å; W383-F465 HydrophobicContact CH2-CE1 4.1Å; W383-F465 HydrophobicContact CZ2-CD1 4.21Å; W383-F465 AromaticContact CZ2-CE1 3.64Å; W383-F465 HydrophobicContact CZ2-CE1 3.64Å; W383-L468 HydrophobicContact CH2-CD1 3.47Å; W383-L468 VanDerWaalsContact CH2-CD1 3.47Å; W383-L468 HydrophobicContact CZ2-CD1 3.44Å; W383-L468 VanDerWaalsContact CZ2-CD1 3.44Å; W383-L468 HydrophobicContact CZ3-CD1 4.46Å; W383-L541 HydrophobicContact CB-CD2 3.7Å; W383-L541 HydrophobicContact CD2-CB 4.45Å; W383-L541 HydrophobicContact CD2-CD2 3.77Å; W383-L541 HydrophobicContact CE3-CD2 4.05Å; W383-L541 HydrophobicContact CG-CD2 3.65Å; W383-T542 PolarHBondContact NE1-O 3.49Å; W383-A546 HydrophobicContact CZ2-CB 4.19Å
384	A	96.1	Very high	94.3	Very high	19 Å²	19	30.4 Å²	30.4	16%	0.157	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	121.8	169.3	0	0	0	0	0	111.3	F359 F364 I442 R545	F359-A384 HydrophobicContact CB-CB 3.72Å; F359-A384 HydrophobicContact CD2-CB 3.79Å; F359-A384 HydrophobicContact CG-CB 4.14Å; F364-A384 HydrophobicContact CE1-CB 4.33Å; F364-A384 HydrophobicContact CZ-CB 4.1Å; A384-I442 HydrophobicContact CB-CD1 4.04Å; A384-R545 PolarHBondContact O-NH2 3.33Å
385	L	96.2	Very high	94.7	Very high	5 Å²	5	29 Å²	29	3%	0.026	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	158.8	178.2	-70	80.6	0	0	0	110.5	W383 L397 Y440 S441 F443 A537 L540 L541	W383-L385 HydrophobicContact CB-CD1 3.8Å; W383-L385 WeakPolarHBondContact O-CD1 3.36Å; L385-L397 HydrophobicContact CD2-CD2 4Å; L385-Y440 WeakPolarHBondContact O-CA 3.48Å; L385-Y440 VanDerWaalsContact O-CB 3.28Å; L385-Y440 WeakPolarHBondContact O-CB 3.37Å; L385-S441 WeakPolarHBondContact CA-O 3.37Å; L385-S441 WeakPolarHBondContact CB-O 3.31Å; L385-S441 PolarHBondContact N-O 2.98Å; L385-S441 PolarHBondContact O-N 3.12Å; L385-F443 HydrophobicContact CD1-CB 3.93Å; L385-A537 HydrophobicContact CD2-CB 4.29Å; L385-L540 HydrophobicContact CB-CD1 4.24Å; L385-L540 HydrophobicContact CD2-CB 4.37Å; L385-L540 HydrophobicContact CD2-CD1 3.99Å; L385-L540 HydrophobicContact CG-CB 4.23Å; L385-L540 HydrophobicContact CG-CD1 3.9Å; L385-L541 HydrophobicContact CD1-CD2 3.94Å; L385-L541 HydrophobicContact CD2-CD2 4.48Å
386	P	95.3	Very high	95.2	Very high	50 Å²	50	26.2 Å²	26.2	33%	0.325	13%	0.132	S	C	.	.	S	Bend	trans	-59.3	157.8	164.9	-19.3	32.4	0	0	0	111.1	Q388 L540	P386-Q388 PolarHBondContact O-N 3.43Å; P386-Q388 PolarHBondContact O-NE2 3.19Å; P386-L540 HydrophobicContact CG-CD1 4.44Å
387	P	94.5	Very high	95.5	Very high	22 Å²	22	25.7 Å²	25.7	14%	0.143	13%	0.128	C	C	.	.			trans	-51	123.6	179.2	-26.6	32.4	0	0	0	113.4	S438	P387-S438 VanDerWaalsContact CG-O 3.28Å; P387-S438 WeakPolarHBondContact CG-O 3.41Å
388	Q	94	Very high	95.6	Very high	18 Å²	18	27.8 Å²	27.8	8%	0.084	14%	0.138	C	C	.	.			trans	-95.3	-16.6	-178.7	-62.5	-56.8	-59.1	0	0	114.3	P386 K390 H391 L397 S441	P386-Q388 PolarHBondContact O-N 3.43Å; P386-Q388 PolarHBondContact O-NE2 3.19Å; Q388-K390 PolarHBondContact O-N 3.18Å; Q388-H391 WeakPolarHBondContact O-CA 3.23Å; Q388-H391 WeakPolarHBondContact O-CB 3.2Å; Q388-H391 PolarHBondContact O-N 2.73Å; Q388-L397 HydrophobicContact CB-CD1 4.06Å; Q388-L397 HydrophobicContact CB-CG 4.2Å; Q388-L397 HydrophobicContact CG-CD1 3.83Å; Q388-L397 HydrophobicContact CG-CD2 4.08Å; Q388-L397 HydrophobicContact CG-CG 3.89Å; Q388-S441 PolarHBondContact N-OG 3.47Å
389	V	88.4	Confident	95.6	Very high	40 Å²	40	27.5 Å²	27.5	24%	0.242	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-42.1	-43.9	-178.1	-176.7	0	0	0	0	114	H391 Y392 Q436 L513	V389-H391 PolarHBondContact O-N 2.97Å; V389-Y392 PolarHBondContact O-N 3.06Å; V389-Y392 VanDerWaalsContact O-N 3.08Å; V389-Q436 HydrophobicContact CG2-CG 3.51Å; V389-L513 HydrophobicContact CG1-CD2 4.44Å
390	K	91	Very high	95.6	Very high	152 Å²	152	27.6 Å²	27.6	66%	0.661	14%	0.135	S	C	*	.	G	3₁₀ helix	trans	-60.2	-13.4	178.1	72.9	-168.9	-179	-165.8	0	115.1	Q388	Q388-K390 PolarHBondContact O-N 3.18Å
391	H	95.2	Very high	95.5	Very high	53 Å²	53	28.6 Å²	28.6	25%	0.245	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-102.7	14.6	179.7	-62.4	-63	0	0	0	113	Q388 V389 R393 V394 K395 P396 V533	Q388-H391 WeakPolarHBondContact O-CA 3.23Å; Q388-H391 WeakPolarHBondContact O-CB 3.2Å; Q388-H391 PolarHBondContact O-N 2.73Å; V389-H391 PolarHBondContact O-N 2.97Å; H391-R393 PolarHBondContact O-N 3.33Å; H391-V394 PolarHBondContact O-N 3.41Å; H391-K395 PolarHBondContact O-N 3.14Å; H391-P396 HydrophobicContact CB-CG 3.97Å; H391-V533 HydrophobicContact CB-CG1 4.01Å
392	Y	94.7	Very high	95.4	Very high	36 Å²	36	30.6 Å²	30.6	14%	0.141	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.3	-28.9	177.9	78.7	-89.5	0	0	0	114	V389 V394 K395 F514 P515 D518 F527	V389-Y392 PolarHBondContact O-N 3.06Å; V389-Y392 VanDerWaalsContact O-N 3.08Å; Y392-V394 PolarHBondContact O-N 3.32Å; Y392-K395 WeakPolarHBondContact O-CG 3.39Å; Y392-F514 AromaticContact CD1-CD1 3.93Å; Y392-F514 HydrophobicContact CD1-CD1 3.93Å; Y392-F514 HydrophobicContact CD1-CE1 4.07Å; Y392-F514 AromaticContact CD2-CD1 3.87Å; Y392-F514 HydrophobicContact CD2-CD1 3.87Å; Y392-F514 AromaticContact CD2-CE1 3.91Å; Y392-F514 HydrophobicContact CD2-CE1 3.91Å; Y392-F514 HydrophobicContact CE1-CD1 4.24Å; Y392-F514 HydrophobicContact CE2-CD1 4.19Å; Y392-F514 AromaticContact CG-CD1 3.76Å; Y392-F514 HydrophobicContact CG-CD1 3.76Å; Y392-F514 AromaticContact CG-CE1 3.59Å; Y392-F514 HydrophobicContact CG-CE1 3.59Å; Y392-P515 WeakPolarHBondContact OH-CG 3.41Å; Y392-D518 HydrophobicContact CE2-CB 4.15Å; Y392-D518 PolarHBondContact OH-OD2 3.07Å; Y392-F527 HydrophobicContact CD2-CE2 4.37Å; Y392-F527 HydrophobicContact CE2-CE2 4.18Å
393	R	96	Very high	95.3	Very high	82 Å²	82	30.6 Å²	30.6	31%	0.309	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-15.1	176.1	-59.8	-162.1	86.5	89.5	8.7	115.2	H391 D518 F527 H528	H391-R393 PolarHBondContact O-N 3.33Å; R393-D518 IonicContact CZ-OD1 3.89Å; R393-D518 VanDerWaalsContact CZ-OD1 3.25Å; R393-D518 IonicContact CZ-OD2 2.71Å; R393-D518 IonicContact NH1-OD1 3.82Å; R393-D518 PolarHBondContact NH1-OD1 2.78Å; R393-D518 IonicContact NH1-OD2 3.7Å; R393-D518 PolarHBondContact NH1-OD2 3.36Å; R393-D518 IonicContact NH2-OD1 3.84Å; R393-D518 PolarHBondContact NH2-OD1 2.86Å; R393-F527 HydrophobicContact CB-CB 4.3Å; R393-F527 HydrophobicContact CB-CD2 4.17Å; R393-F527 HydrophobicContact CG-CD2 4.29Å; R393-F527 WeakPolarHBondContact O-CB 3.44Å; R393-F527 PolarHBondContact O-N 2.87Å; R393-F527 VanDerWaalsContact O-N 3.15Å; R393-H528 PolarHBondContact O-N 3.25Å; R393-H528 PolarHBondContact O-ND1 3.24Å; R393-H528 VanDerWaalsContact O-ND1 3.16Å
394	V	97.1	Very high	95.3	Very high	4 Å²	4	30.6 Å²	30.6	2%	0.024	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.7	-29	179.5	-176.1	0	0	0	0	110.9	H391 Y392 Y481 M526 H528 D530 V533 I534	H391-V394 PolarHBondContact O-N 3.41Å; Y392-V394 PolarHBondContact O-N 3.32Å; V394-Y481 HydrophobicContact CG1-CE2 4.49Å; V394-Y481 WeakPolarHBondContact O-CE2 3.13Å; V394-M526 WeakPolarHBondContact O-CE 3.46Å; V394-H528 VanDerWaalsContact CG2-CE1 3.43Å; V394-H528 WeakPolarHBondContact CG2-CE1 3.12Å; V394-D530 HydrophobicContact CG1-CB 4.07Å; V394-D530 HydrophobicContact CG2-CB 3.92Å; V394-V533 HydrophobicContact CB-CG1 4.19Å; V394-V533 HydrophobicContact CG1-CB 4.25Å; V394-V533 HydrophobicContact CG1-CG1 4.04Å; V394-V533 HydrophobicContact CG2-CG1 4.43Å; V394-I534 HydrophobicContact CG1-CD1 4.17Å; V394-I534 HydrophobicContact CG1-CG1 3.85Å
395	K	96.1	Very high	95.2	Very high	14 Å²	14	30.2 Å²	30.2	6%	0.061	15%	0.149	C	C	.	.			trans	47	62.5	-174.6	-53.6	-169.7	169.1	-84.4	0	113.5	H391 Y392 L397 H398 Y399 G522 D523 Q524 M526	H391-K395 PolarHBondContact O-N 3.14Å; Y392-K395 WeakPolarHBondContact O-CG 3.39Å; K395-L397 VanDerWaalsContact C-N 3.33Å; K395-L397 PolarHBondContact O-N 3.45Å; K395-H398 HydrophobicContact CB-CB 3.8Å; K395-H398 PolarHBondContact O-N 3.38Å; K395-Y399 PolarHBondContact O-N 3.2Å; K395-G522 WeakPolarHBondContact CE-O 3.4Å; K395-G522 PolarHBondContact NZ-O 3.09Å; K395-D523 VanDerWaalsContact CE-O 3.26Å; K395-D523 WeakPolarHBondContact CE-O 3.46Å; K395-D523 PolarHBondContact NZ-O 2.91Å; K395-Q524 WeakPolarHBondContact CE-O 3.37Å; K395-M526 HydrophobicContact CB-CE 4.05Å; K395-M526 HydrophobicContact CD-CG 4.38Å
396	P	96.8	Very high	95.1	Very high	3 Å²	3	30.6 Å²	30.6	2%	0.019	15%	0.15	C	C	.	.	H	α-helix	trans	-63.6	-34.9	-176.3	26.6	-34.8	0	0	0	113.4	H391 I400 V533 I534 A537	H391-P396 HydrophobicContact CB-CG 3.97Å; P396-I400 WeakPolarHBondContact O-CD1 3.34Å; P396-I400 VanDerWaalsContact O-CG1 3.22Å; P396-I400 WeakPolarHBondContact O-CG1 3.32Å; P396-I400 PolarHBondContact O-N 3.11Å; P396-I400 VanDerWaalsContact O-N 3.17Å; P396-V533 HydrophobicContact CB-CG1 4.15Å; P396-V533 HydrophobicContact CG-CG1 3.99Å; P396-I534 HydrophobicContact CB-CG1 4.25Å; P396-A537 HydrophobicContact CB-CB 4.08Å
397	L	96	Very high	95.1	Very high	8 Å²	8	29.6 Å²	29.6	4%	0.042	14%	0.141	C	C	.	.	H	α-helix	trans	-70.1	-44.7	177.4	-60.5	-169	0	0	0	111.7	L385 Q388 K395 Y399 I400 S401 N429 F443 A537	L385-L397 HydrophobicContact CD2-CD2 4Å; Q388-L397 HydrophobicContact CB-CD1 4.06Å; Q388-L397 HydrophobicContact CB-CG 4.2Å; Q388-L397 HydrophobicContact CG-CD1 3.83Å; Q388-L397 HydrophobicContact CG-CD2 4.08Å; Q388-L397 HydrophobicContact CG-CG 3.89Å; K395-L397 VanDerWaalsContact C-N 3.33Å; K395-L397 PolarHBondContact O-N 3.45Å; L397-Y399 PolarHBondContact O-N 3.43Å; L397-I400 PolarHBondContact O-N 2.69Å; L397-I400 VanDerWaalsContact O-N 3.14Å; L397-S401 VanDerWaalsContact O-CB 3.27Å; L397-S401 WeakPolarHBondContact O-CB 3.4Å; L397-S401 PolarHBondContact O-N 2.84Å; L397-N429 HydrophobicContact CD1-CB 3.91Å; L397-F443 HydrophobicContact CB-CD2 4.37Å; L397-F443 HydrophobicContact CD2-CD2 4.11Å; L397-A537 HydrophobicContact CD2-CB 4.49Å
398	H	95.5	Very high	95	Very high	50 Å²	50	28.7 Å²	28.7	23%	0.231	14%	0.136	C	C	.	.	H	α-helix	trans	-57.8	-45.6	174	-178.7	90.1	0	0	0	112.3	K395 I400 S401 W402 I484	K395-H398 HydrophobicContact CB-CB 3.8Å; K395-H398 PolarHBondContact O-N 3.38Å; H398-I400 VanDerWaalsContact C-N 3.3Å; H398-I400 PolarHBondContact O-N 3.3Å; H398-S401 WeakPolarHBondContact O-CB 3.26Å; H398-S401 PolarHBondContact O-N 3.21Å; H398-W402 WeakPolarHBondContact O-CB 3.41Å; H398-W402 PolarHBondContact O-N 2.93Å; H398-I484 WeakPolarHBondContact NE2-CG2 3.33Å
399	Y	97.3	Very high	95	Very high	4 Å²	4	31.7 Å²	31.7	2%	0.016	16%	0.155	C	C	.	.	H	α-helix	trans	-60	-38.4	174.8	173.2	-82.6	0	0	0	112.9	K395 L397 L403 P476 Q477 I480 Y481 I484 I534	K395-Y399 PolarHBondContact O-N 3.2Å; L397-Y399 PolarHBondContact O-N 3.43Å; Y399-L403 HydrophobicContact CD1-CD1 4.39Å; Y399-L403 HydrophobicContact CE1-CD1 3.57Å; Y399-L403 WeakPolarHBondContact OH-CD1 3.37Å; Y399-P476 HydrophobicContact CE1-CB 4.45Å; Y399-Q477 PolarHBondContact OH-N 2.92Å; Y399-I480 HydrophobicContact CE2-CB 4.23Å; Y399-I480 HydrophobicContact CE2-CG2 4.2Å; Y399-Y481 HydrophobicContact CD2-CD2 4.12Å; Y399-I484 HydrophobicContact CD2-CD1 4.11Å; Y399-I534 HydrophobicContact CD1-CD1 4.31Å; Y399-I534 HydrophobicContact CD1-CG2 3.36Å; Y399-I534 HydrophobicContact CD2-CD1 4.36Å; Y399-I534 HydrophobicContact CE1-CG2 3.72Å; Y399-I534 HydrophobicContact CG-CD1 4.11Å; Y399-I534 HydrophobicContact CG-CG2 4.16Å
400	I	97.4	Very high	95.3	Very high	2 Å²	2	30 Å²	30	1%	0.01	15%	0.146	C	C	.	.	H	α-helix	trans	-73.3	-44	178	-65	164.7	0	0	0	110	P396 L397 H398 W402 L403 M404 F443 I534 A537 L538 L541	P396-I400 WeakPolarHBondContact O-CD1 3.34Å; P396-I400 VanDerWaalsContact O-CG1 3.22Å; P396-I400 WeakPolarHBondContact O-CG1 3.32Å; P396-I400 PolarHBondContact O-N 3.11Å; P396-I400 VanDerWaalsContact O-N 3.17Å; L397-I400 PolarHBondContact O-N 2.69Å; L397-I400 VanDerWaalsContact O-N 3.14Å; H398-I400 VanDerWaalsContact C-N 3.3Å; H398-I400 PolarHBondContact O-N 3.3Å; I400-W402 PolarHBondContact O-N 3.28Å; I400-L403 PolarHBondContact O-N 3.15Å; I400-L403 VanDerWaalsContact O-N 3.08Å; I400-M404 HydrophobicContact CG2-CG 3.84Å; I400-M404 VanDerWaalsContact O-CG 3.31Å; I400-M404 WeakPolarHBondContact O-CG 3.19Å; I400-M404 PolarHBondContact O-N 2.79Å; I400-F443 HydrophobicContact CB-CE2 4.27Å; I400-F443 HydrophobicContact CB-CZ 4.33Å; I400-F443 HydrophobicContact CG2-CE1 4.17Å; I400-F443 HydrophobicContact CG2-CE2 4.06Å; I400-F443 HydrophobicContact CG2-CZ 3.66Å; I400-I534 HydrophobicContact CG1-CG2 4.44Å; I400-A537 HydrophobicContact CD1-CB 3.96Å; I400-L538 HydrophobicContact CD1-CB 3.91Å; I400-L538 HydrophobicContact CG1-CB 4.49Å; I400-L538 HydrophobicContact CG2-CD1 4.49Å; I400-L541 HydrophobicContact CD1-CD1 4.41Å; I400-L541 HydrophobicContact CG2-CD1 3.77Å
401	S	95.8	Very high	95.5	Very high	35 Å²	35	22.8 Å²	22.8	25%	0.245	12%	0.115	C	C	.	.	H	α-helix	trans	-48.4	-56	172.8	154.4	0	0	0	0	110.9	L397 H398 L403 M404 G405 G427	L397-S401 VanDerWaalsContact O-CB 3.27Å; L397-S401 WeakPolarHBondContact O-CB 3.4Å; L397-S401 PolarHBondContact O-N 2.84Å; H398-S401 WeakPolarHBondContact O-CB 3.26Å; H398-S401 PolarHBondContact O-N 3.21Å; S401-L403 PolarHBondContact O-N 2.88Å; S401-M404 PolarHBondContact O-N 2.84Å; S401-G405 PolarHBondContact O-N 3.15Å; S401-G427 WeakPolarHBondContact CA-O 3.23Å; S401-G427 WeakPolarHBondContact CB-O 3.45Å; S401-G427 PolarHBondContact OG-O 3.23Å
402	W	95	Very high	95.6	Very high	41 Å²	41	20.3 Å²	20.3	16%	0.155	10%	0.103	C	C	.	.	H	α-helix	trans	-50.8	-35.1	177.8	-168.7	-80.2	0	0	0	114.1	H398 I400 H406 I484 I487 V684	H398-W402 WeakPolarHBondContact O-CB 3.41Å; H398-W402 PolarHBondContact O-N 2.93Å; I400-W402 PolarHBondContact O-N 3.28Å; W402-H406 WeakPolarHBondContact O-CB 3.09Å; W402-I484 HydrophobicContact CB-CD1 3.81Å; W402-I484 HydrophobicContact CD2-CD1 3.81Å; W402-I484 HydrophobicContact CD2-CG1 3.57Å; W402-I484 HydrophobicContact CE3-CD1 4.34Å; W402-I484 HydrophobicContact CE3-CG1 3.97Å; W402-I484 HydrophobicContact CE3-CG2 4.11Å; W402-I484 HydrophobicContact CG-CD1 3.52Å; W402-I484 HydrophobicContact CG-CG1 3.82Å; W402-I484 HydrophobicContact CH2-CG1 4.45Å; W402-I484 HydrophobicContact CZ2-CG1 4.1Å; W402-I484 HydrophobicContact CZ3-CG1 4.4Å; W402-I484 HydrophobicContact CZ3-CG2 4.19Å; W402-I487 HydrophobicContact CH2-CD1 3.78Å; W402-I487 HydrophobicContact CH2-CG2 4.43Å; W402-I487 HydrophobicContact CZ2-CD1 3.81Å; W402-V684 HydrophobicContact CH2-CB 3.7Å; W402-V684 HydrophobicContact CH2-CG1 4.46Å; W402-V684 HydrophobicContact CH2-CG2 4.34Å; W402-V684 HydrophobicContact CZ2-CB 3.67Å; W402-V684 HydrophobicContact CZ2-CG1 4.38Å; W402-V684 HydrophobicContact CZ2-CG2 3.87Å
403	L	96.5	Very high	95.7	Very high	3 Å²	3	18.6 Å²	18.6	2%	0.016	10%	0.097	C	C	.	.	H	α-helix	trans	-85.9	-35.7	178.1	-73.6	174.5	0	0	0	113.3	Y399 I400 S401 Y467 L471 I480 L595 P596	Y399-L403 HydrophobicContact CD1-CD1 4.39Å; Y399-L403 HydrophobicContact CE1-CD1 3.57Å; Y399-L403 WeakPolarHBondContact OH-CD1 3.37Å; I400-L403 PolarHBondContact O-N 3.15Å; I400-L403 VanDerWaalsContact O-N 3.08Å; S401-L403 PolarHBondContact O-N 2.88Å; L403-Y467 WeakPolarHBondContact O-CE1 3.39Å; L403-Y467 VanDerWaalsContact O-CZ 3.23Å; L403-Y467 PolarHBondContact O-OH 2.89Å; L403-L471 HydrophobicContact CB-CD1 3.99Å; L403-L471 HydrophobicContact CB-CD2 4.49Å; L403-L471 HydrophobicContact CD1-CD1 4.33Å; L403-L471 HydrophobicContact CD1-CD2 4.07Å; L403-I480 HydrophobicContact CD2-CD1 3.87Å; L403-I480 HydrophobicContact CD2-CG2 4.24Å; L403-L595 HydrophobicContact CD1-CD2 4.46Å; L403-L595 HydrophobicContact CD2-CD2 4Å; L403-P596 HydrophobicContact CD2-CG 4.21Å
404	M	95.8	Very high	95.6	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.005	8%	0.083	C	C	.	.	H	α-helix	trans	-75.9	-41.6	-179	-65.6	-50.9	-61.9	0	0	111.9	I400 S401 I412 L425 F443 I445 V464 Y467 L468 L471	I400-M404 HydrophobicContact CG2-CG 3.84Å; I400-M404 VanDerWaalsContact O-CG 3.31Å; I400-M404 WeakPolarHBondContact O-CG 3.19Å; I400-M404 PolarHBondContact O-N 2.79Å; S401-M404 PolarHBondContact O-N 2.84Å; M404-I412 HydrophobicContact CE-CD1 3.53Å; M404-L425 VanDerWaalsContact O-CD2 3.24Å; M404-L425 WeakPolarHBondContact O-CD2 3.33Å; M404-F443 HydrophobicContact CB-CZ 4.41Å; M404-F443 HydrophobicContact CG-CE1 4.2Å; M404-F443 HydrophobicContact CG-CZ 4.11Å; M404-I445 HydrophobicContact CB-CD1 4.3Å; M404-I445 HydrophobicContact CE-CD1 3.39Å; M404-I445 HydrophobicContact CG-CD1 4.29Å; M404-V464 HydrophobicContact CE-CG1 4.03Å; M404-Y467 HydrophobicContact CE-CD1 3.89Å; M404-Y467 HydrophobicContact SD-CD1 3.55Å; M404-Y467 VanDerWaalsContact SD-CD1 3.55Å; M404-Y467 HydrophobicContact SD-CE1 3.86Å; M404-L468 HydrophobicContact CE-CD1 4.37Å; M404-L468 HydrophobicContact CE-CD2 3.76Å; M404-L468 HydrophobicContact CE-CG 3.61Å; M404-L468 HydrophobicContact CG-CD2 4.49Å; M404-L468 HydrophobicContact SD-CD2 3.55Å; M404-L468 VanDerWaalsContact SD-CD2 3.55Å; M404-L468 HydrophobicContact SD-CG 4.02Å; M404-L471 HydrophobicContact SD-CD1 3.63Å
405	G	94.7	Very high	95.6	Very high	12 Å²	12	15.2 Å²	15.2	12%	0.124	9%	0.085	C	C	.	.	S	Bend	trans	-84.4	-3.6	177.7	0	0	0	0	0	115.1	S401 E407 Y680	S401-G405 PolarHBondContact O-N 3.15Å; G405-E407 PolarHBondContact O-N 3.28Å; G405-Y680 PolarHBondContact O-OH 2.76Å
406	H	94.5	Very high	95.6	Very high	12 Å²	12	14.6 Å²	14.6	6%	0.056	8%	0.082	C	C	.	.			trans	-53.4	128.6	178.8	-168.7	-83.7	0	0	0	111.3	W402 G408 S411 P596 Y680	W402-H406 WeakPolarHBondContact O-CB 3.09Å; H406-G408 VanDerWaalsContact CE1-CA 3.46Å; H406-G408 WeakPolarHBondContact CE1-CA 2.82Å; H406-G408 PolarHBondContact CE1-N 2.85Å; H406-G408 PolarHBondContact ND1-N 3.28Å; H406-G408 VanDerWaalsContact ND1-N 3.19Å; H406-G408 PolarHBondContact ND1-O 3.38Å; H406-S411 WeakPolarHBondContact O-CB 3.47Å; H406-S411 PolarHBondContact O-OG 3.46Å; H406-P596 VanDerWaalsContact NE2-CB 3.3Å; H406-P596 WeakPolarHBondContact NE2-CB 3.3Å; H406-Y680 HydrophobicContact CB-CE1 4.27Å; H406-Y680 AromaticContact CD2-CE1 3.53Å; H406-Y680 AromaticContact CE1-CD1 3.94Å; H406-Y680 AromaticContact CG-CE1 3.75Å; H406-Y680 AromaticContact NE2-CD1 3.88Å; H406-Y680 AromaticContact NE2-CE1 3.8Å
407	E	94.4	Very high	95.4	Very high	30 Å²	30	15.8 Å²	15.8	14%	0.14	9%	0.086	C	C	.	.			trans	-97.6	-24.6	-179.4	-54.5	-154.7	150.2	0	0	114.4	G405 S411 L413 R417 Y680	G405-E407 PolarHBondContact O-N 3.28Å; E407-S411 PolarHBondContact O-OG 3.29Å; E407-S411 VanDerWaalsContact O-OG 3.06Å; E407-L413 HydrophobicContact CB-CD2 4.21Å; E407-L413 VanDerWaalsContact CD-CD2 3.42Å; E407-L413 HydrophobicContact CG-CD2 3.65Å; E407-L413 WeakPolarHBondContact OE1-CD2 3.24Å; E407-R417 IonicContact OE1-CZ 3.6Å; E407-R417 IonicContact OE1-NH1 3.53Å; E407-R417 IonicContact OE1-NH2 2.71Å; E407-R417 PolarHBondContact OE1-NH2 3.01Å; E407-R417 VanDerWaalsContact OE1-NH2 3.11Å; E407-R417 IonicContact OE2-CZ 2.75Å; E407-R417 VanDerWaalsContact OE2-CZ 3.25Å; E407-R417 IonicContact OE2-NH1 3.14Å; E407-R417 PolarHBondContact OE2-NH1 3.34Å; E407-R417 IonicContact OE2-NH2 3.54Å; E407-R417 PolarHBondContact OE2-NH2 2.8Å; E407-Y680 HydrophobicContact CB-CD1 4.19Å; E407-Y680 HydrophobicContact CB-CD2 3.54Å; E407-Y680 HydrophobicContact CB-CE1 4.47Å; E407-Y680 HydrophobicContact CB-CE2 3.87Å; E407-Y680 HydrophobicContact CB-CG 3.7Å; E407-Y680 HydrophobicContact CG-CD2 3.68Å; E407-Y680 HydrophobicContact CG-CE2 3.58Å; E407-Y680 HydrophobicContact CG-CG 4.35Å
408	G	93	Very high	95.2	Very high	2 Å²	2	21.5 Å²	21.5	2%	0.021	11%	0.11	C	C	.	.	S	Bend	trans	-64.1	174.9	-178.7	0	0	0	0	0	114.9	H406 G410 S411	H406-G408 VanDerWaalsContact CE1-CA 3.46Å; H406-G408 WeakPolarHBondContact CE1-CA 2.82Å; H406-G408 PolarHBondContact CE1-N 2.85Å; H406-G408 PolarHBondContact ND1-N 3.28Å; H406-G408 VanDerWaalsContact ND1-N 3.19Å; H406-G408 PolarHBondContact ND1-O 3.38Å; G408-G410 PolarHBondContact O-N 3.26Å; G408-S411 WeakPolarHBondContact O-CB 3.48Å; G408-S411 PolarHBondContact O-N 3.15Å; G408-S411 PolarHBondContact O-OG 2.83Å
409	T	93.8	Very high	95.2	Very high	81 Å²	81	23.6 Å²	23.6	50%	0.497	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	131.3	-172	-53.5	0	0	0	0	114.2	H594 E677	T409-H594 PolarHBondContact O-CE1 2.92Å; T409-E677 WeakPolarHBondContact CA-OE1 3.49Å; T409-E677 WeakPolarHBondContact CB-OE1 3.44Å; T409-E677 PolarHBondContact OG1-OE1 3Å
410	G	93.8	Very high	95	Very high	4 Å²	4	24.1 Å²	24.1	4%	0.041	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	97.7	-8.4	-178.6	0	0	0	0	0	114.3	G408 L593 H594	G408-G410 PolarHBondContact O-N 3.26Å; G410-L593 WeakPolarHBondContact O-CA 3.38Å; G410-H594 CarbonylContact C-O 3.18Å; G410-H594 VanDerWaalsContact CA-CE1 3.45Å; G410-H594 WeakPolarHBondContact CA-CE1 3.34Å; G410-H594 WeakPolarHBondContact CA-NE2 3.37Å; G410-H594 PolarHBondContact O-N 3.43Å
411	S	96.6	Very high	95	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.007	13%	0.125	C	C	.	.	S	Bend	trans	-74.4	167.7	178.7	65.9	0	0	0	0	114.8	H406 E407 G408 S414 L415	H406-S411 WeakPolarHBondContact O-CB 3.47Å; H406-S411 PolarHBondContact O-OG 3.46Å; E407-S411 PolarHBondContact O-OG 3.29Å; E407-S411 VanDerWaalsContact O-OG 3.06Å; G408-S411 WeakPolarHBondContact O-CB 3.48Å; G408-S411 PolarHBondContact O-N 3.15Å; G408-S411 PolarHBondContact O-OG 2.83Å; S411-S414 WeakPolarHBondContact OG-CB 3.49Å; S411-S414 PolarHBondContact OG-N 2.82Å; S411-L415 PolarHBondContact O-N 2.93Å
412	I	97.4	Very high	95	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.005	11%	0.113	C	C	.	.	H	α-helix	trans	-57.3	-53.4	167.7	-55.2	169.3	0	0	0	109.7	M404 S414 L415 L416 L425 V464 Y467	M404-I412 HydrophobicContact CE-CD1 3.53Å; I412-S414 PolarHBondContact O-N 2.82Å; I412-L415 PolarHBondContact O-N 3.04Å; I412-L416 HydrophobicContact CG2-CD1 3.77Å; I412-L416 HydrophobicContact CG2-CG 4.2Å; I412-L416 WeakPolarHBondContact O-CG 3.27Å; I412-L416 PolarHBondContact O-N 2.87Å; I412-L425 HydrophobicContact CB-CD1 3.95Å; I412-L425 HydrophobicContact CG2-CD1 3.55Å; I412-V464 HydrophobicContact CD1-CG1 4.48Å; I412-V464 HydrophobicContact CD1-CG2 4.37Å; I412-V464 HydrophobicContact CG2-CG2 4.09Å; I412-Y467 HydrophobicContact CD1-CD1 3.8Å; I412-Y467 HydrophobicContact CD1-CE1 4.49Å; I412-Y467 HydrophobicContact CD1-CG 3.82Å; I412-Y467 HydrophobicContact CG1-CD1 3.98Å; I412-Y467 HydrophobicContact CG1-CD2 3.87Å; I412-Y467 HydrophobicContact CG1-CG 3.55Å
413	L	96.2	Very high	94.8	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.005	11%	0.111	C	C	.	.	H	α-helix	trans	-67.5	-39.8	-172.2	-175.1	57.4	0	0	0	112.9	E407 L415 L416 R417 A422 L425	E407-L413 HydrophobicContact CB-CD2 4.21Å; E407-L413 VanDerWaalsContact CD-CD2 3.42Å; E407-L413 HydrophobicContact CG-CD2 3.65Å; E407-L413 WeakPolarHBondContact OE1-CD2 3.24Å; L413-L415 VanDerWaalsContact C-N 3.27Å; L413-L415 PolarHBondContact O-N 2.83Å; L413-L416 PolarHBondContact O-N 3.06Å; L413-L416 VanDerWaalsContact O-N 3.14Å; L413-R417 HydrophobicContact CD1-CG 3.95Å; L413-R417 VanDerWaalsContact CD2-CZ 3.41Å; L413-R417 HydrophobicContact CG-CG 4.16Å; L413-R417 WeakPolarHBondContact O-CB 3.39Å; L413-R417 WeakPolarHBondContact O-CG 3.36Å; L413-R417 PolarHBondContact O-N 3.24Å; L413-A422 HydrophobicContact CD1-CB 4.02Å; L413-L425 HydrophobicContact CB-CB 4.07Å; L413-L425 HydrophobicContact CD1-CB 3.94Å; L413-L425 HydrophobicContact CD2-CB 4.06Å; L413-L425 HydrophobicContact CG-CB 4.23Å
414	S	94.9	Very high	94.6	Very high	3 Å²	3	23 Å²	23	2%	0.021	11%	0.114	C	C	.	.	H	α-helix	trans	-53.8	-45.3	172.9	173.3	0	0	0	0	111.3	S411 I412 K418 E677	S411-S414 WeakPolarHBondContact OG-CB 3.49Å; S411-S414 PolarHBondContact OG-N 2.82Å; I412-S414 PolarHBondContact O-N 2.82Å; S414-K418 WeakPolarHBondContact O-CB 3.46Å; S414-K418 WeakPolarHBondContact O-CD 3.46Å; S414-K418 WeakPolarHBondContact O-CG 3.32Å; S414-K418 PolarHBondContact O-N 3.01Å; S414-K418 WeakPolarHBondContact OG-CE 3.33Å; S414-K418 PolarHBondContact OG-NZ 3.45Å; S414-E677 WeakPolarHBondContact CB-OE2 3.16Å; S414-E677 PolarHBondContact OG-OE1 3.21Å; S414-E677 PolarHBondContact OG-OE2 3.19Å
415	L	95.8	Very high	94.5	Very high	12 Å²	12	23.1 Å²	23.1	6%	0.063	12%	0.115	C	C	.	.	H	α-helix	trans	-70.4	-36.6	177.9	179.5	64.1	0	0	0	113	S411 I412 L413 R419 L463 N590 D592 L593	S411-L415 PolarHBondContact O-N 2.93Å; I412-L415 PolarHBondContact O-N 3.04Å; L413-L415 VanDerWaalsContact C-N 3.27Å; L413-L415 PolarHBondContact O-N 2.83Å; L415-R419 WeakPolarHBondContact O-CG 3.45Å; L415-R419 PolarHBondContact O-N 3.38Å; L415-L463 HydrophobicContact CD2-CD1 4.07Å; L415-L463 HydrophobicContact CD2-CD2 3.51Å; L415-L463 HydrophobicContact CD2-CG 4.41Å; L415-L463 HydrophobicContact CG-CD1 4.47Å; L415-N590 WeakPolarHBondContact CD2-ND2 3.11Å; L415-D592 HydrophobicContact CD1-CB 4.21Å; L415-L593 HydrophobicContact CB-CD2 4.43Å; L415-L593 HydrophobicContact CD2-CD2 3.9Å; L415-L593 HydrophobicContact CD2-CG 4.27Å
416	L	96.2	Very high	94.3	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-68.5	-43.9	176.2	-66.5	177.2	0	0	0	111.8	I412 L413 R419 C420 W421 A422 L425 V447 V460 L463	I412-L416 HydrophobicContact CG2-CD1 3.77Å; I412-L416 HydrophobicContact CG2-CG 4.2Å; I412-L416 WeakPolarHBondContact O-CG 3.27Å; I412-L416 PolarHBondContact O-N 2.87Å; L413-L416 PolarHBondContact O-N 3.06Å; L413-L416 VanDerWaalsContact O-N 3.14Å; L416-R419 CarbonylContact O-C 3.57Å; L416-R419 PolarHBondContact O-N 3.25Å; L416-R419 VanDerWaalsContact O-N 3.1Å; L416-C420 PolarHBondContact O-N 2.95Å; L416-W421 HydrophobicContact CB-CB 4.44Å; L416-W421 HydrophobicContact CD2-CB 4.15Å; L416-W421 HydrophobicContact CD2-CE3 3.86Å; L416-W421 PolarHBondContact O-N 3.14Å; L416-A422 HydrophobicContact CB-CB 3.71Å; L416-A422 HydrophobicContact CD1-CB 3.84Å; L416-A422 HydrophobicContact CG-CB 4.38Å; L416-L425 HydrophobicContact CD1-CD1 4.28Å; L416-V447 HydrophobicContact CD1-CG1 3.97Å; L416-V460 HydrophobicContact CD1-CG1 3.88Å; L416-V460 HydrophobicContact CD2-CB 4.34Å; L416-V460 HydrophobicContact CD2-CG1 3.99Å; L416-V460 HydrophobicContact CD2-CG2 3.99Å; L416-L463 HydrophobicContact CD2-CD1 3.61Å
417	R	93.5	Very high	94.1	Very high	29 Å²	29	26 Å²	26	11%	0.109	13%	0.125	C	C	.	.	H	α-helix	trans	-59.8	-45.3	173.7	-76.3	-179.9	176.6	155.2	0.6	110.9	E407 L413 R419 C420 A422 L423	E407-R417 IonicContact OE1-CZ 3.6Å; E407-R417 IonicContact OE1-NH1 3.53Å; E407-R417 IonicContact OE1-NH2 2.71Å; E407-R417 PolarHBondContact OE1-NH2 3.01Å; E407-R417 VanDerWaalsContact OE1-NH2 3.11Å; E407-R417 IonicContact OE2-CZ 2.75Å; E407-R417 VanDerWaalsContact OE2-CZ 3.25Å; E407-R417 IonicContact OE2-NH1 3.14Å; E407-R417 PolarHBondContact OE2-NH1 3.34Å; E407-R417 IonicContact OE2-NH2 3.54Å; E407-R417 PolarHBondContact OE2-NH2 2.8Å; L413-R417 HydrophobicContact CD1-CG 3.95Å; L413-R417 VanDerWaalsContact CD2-CZ 3.41Å; L413-R417 HydrophobicContact CG-CG 4.16Å; L413-R417 WeakPolarHBondContact O-CB 3.39Å; L413-R417 WeakPolarHBondContact O-CG 3.36Å; L413-R417 PolarHBondContact O-N 3.24Å; R417-R419 PolarHBondContact O-N 3.42Å; R417-C420 PolarHBondContact O-N 2.8Å; R417-A422 WeakPolarHBondContact CG-O 3.36Å; R417-L423 VanDerWaalsContact CZ-O 3.32Å; R417-L423 PolarHBondContact NE-O 3.23Å; R417-L423 PolarHBondContact NH2-O 3.19Å
418	K	91.9	Very high	93.9	Very high	127 Å²	127	25.4 Å²	25.4	55%	0.552	13%	0.126	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-18.8	173.9	-76.7	163.9	-174.2	157.4	0	114.5	S414 E677	S414-K418 WeakPolarHBondContact O-CB 3.46Å; S414-K418 WeakPolarHBondContact O-CD 3.46Å; S414-K418 WeakPolarHBondContact O-CG 3.32Å; S414-K418 PolarHBondContact O-N 3.01Å; S414-K418 WeakPolarHBondContact OG-CE 3.33Å; S414-K418 PolarHBondContact OG-NZ 3.45Å; K418-E677 WeakPolarHBondContact CE-OE2 3.28Å; K418-E677 VanDerWaalsContact NZ-CD 3.32Å; K418-E677 IonicContact NZ-OE1 3.74Å; K418-E677 PolarHBondContact NZ-OE1 3.16Å; K418-E677 IonicContact NZ-OE2 3.18Å; K418-E677 PolarHBondContact NZ-OE2 2.71Å
419	R	94.1	Very high	93.7	Very high	94 Å²	94	26.4 Å²	26.4	36%	0.355	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	2.2	174.6	-66.1	-178.8	-178.2	-173	3.3	113.7	L415 L416 R417 W421	L415-R419 WeakPolarHBondContact O-CG 3.45Å; L415-R419 PolarHBondContact O-N 3.38Å; L416-R419 CarbonylContact O-C 3.57Å; L416-R419 PolarHBondContact O-N 3.25Å; L416-R419 VanDerWaalsContact O-N 3.1Å; R417-R419 PolarHBondContact O-N 3.42Å; R419-W421 HydrophobicContact CB-CB 4.41Å; R419-W421 HydrophobicContact CB-CD2 3.74Å; R419-W421 HydrophobicContact CB-CE3 4.3Å; R419-W421 HydrophobicContact CB-CG 3.77Å; R419-W421 VanDerWaalsContact NH1-CH2 3.32Å; R419-W421 PolarHBondContact O-N 2.66Å
420	C	94.8	Very high	92.9	Very high	15 Å²	15	24.4 Å²	24.4	10%	0.101	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	51	41.3	-167.7	-58.2	0	0	0	0	112.2	L416 R417 T450 M732	L416-C420 PolarHBondContact O-N 2.95Å; R417-C420 PolarHBondContact O-N 2.8Å; C420-T450 WeakPolarHBondContact O-CG2 3.39Å; C420-T450 PolarHBondContact O-OG1 2.9Å; C420-M732 HydrophobicContact CB-SD 3.67Å
421	W	96.5	Very high	92.4	Very high	26 Å²	26	28.3 Å²	28.3	10%	0.098	14%	0.138	C	C	.	.			trans	-100.5	-33.3	-179.6	-72.3	-2.9	0	0	0	113.4	L416 R419 T450 G453 N456 Q459 V460 L463	L416-W421 HydrophobicContact CB-CB 4.44Å; L416-W421 HydrophobicContact CD2-CB 4.15Å; L416-W421 HydrophobicContact CD2-CE3 3.86Å; L416-W421 PolarHBondContact O-N 3.14Å; R419-W421 HydrophobicContact CB-CB 4.41Å; R419-W421 HydrophobicContact CB-CD2 3.74Å; R419-W421 HydrophobicContact CB-CE3 4.3Å; R419-W421 HydrophobicContact CB-CG 3.77Å; R419-W421 VanDerWaalsContact NH1-CH2 3.32Å; R419-W421 PolarHBondContact O-N 2.66Å; W421-T450 PolarHBondContact O-N 3.13Å; W421-T450 PolarHBondContact O-OG1 2.84Å; W421-G453 WeakPolarHBondContact O-CA 3.4Å; W421-N456 HydrophobicContact CD2-CB 4.46Å; W421-N456 HydrophobicContact CH2-CB 4.48Å; W421-N456 HydrophobicContact CZ2-CB 4.06Å; W421-Q459 HydrophobicContact CH2-CB 3.65Å; W421-Q459 HydrophobicContact CH2-CG 4.21Å; W421-Q459 HydrophobicContact CZ3-CB 3.61Å; W421-V460 HydrophobicContact CB-CG2 4.37Å; W421-V460 HydrophobicContact CE3-CG2 4.11Å; W421-L463 HydrophobicContact CE3-CD1 4.13Å; W421-L463 HydrophobicContact CZ3-CD1 3.84Å
422	A	95.3	Very high	91.9	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	155.2	177	0	0	0	0	0	111.2	L413 L416 R417 V447 T448	L413-A422 HydrophobicContact CD1-CB 4.02Å; L416-A422 HydrophobicContact CB-CB 3.71Å; L416-A422 HydrophobicContact CD1-CB 3.84Å; L416-A422 HydrophobicContact CG-CB 4.38Å; R417-A422 WeakPolarHBondContact CG-O 3.36Å; A422-V447 HydrophobicContact CB-CG1 3.52Å; A422-T448 CarbonylContact C-O 3.22Å; A422-T448 VanDerWaalsContact CA-O 3.27Å; A422-T448 WeakPolarHBondContact CA-O 3.42Å; A422-T448 WeakPolarHBondContact CB-O 3.33Å
423	L	90.5	Very high	91.4	Very high	22 Å²	22	29.1 Å²	29.1	12%	0.115	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	-48.4	175.6	-61.1	173.6	0	0	0	110.2	R417 T448 T450 M732 F733 Q736	R417-L423 VanDerWaalsContact CZ-O 3.32Å; R417-L423 PolarHBondContact NE-O 3.23Å; R417-L423 PolarHBondContact NH2-O 3.19Å; L423-T448 HydrophobicContact CB-CG2 4.45Å; L423-T448 HydrophobicContact CD1-CG2 4.38Å; L423-T448 PolarHBondContact N-O 2.92Å; L423-T450 HydrophobicContact CD2-CG2 4.08Å; L423-T450 HydrophobicContact CG-CG2 4.11Å; L423-M732 HydrophobicContact CD2-CE 3.82Å; L423-M732 HydrophobicContact CD2-CG 4.01Å; L423-M732 HydrophobicContact CD2-SD 3.93Å; L423-F733 HydrophobicContact CD2-CE1 4.34Å; L423-F733 HydrophobicContact CD2-CZ 4.33Å; L423-Q736 HydrophobicContact CD1-CB 4.16Å; L423-Q736 HydrophobicContact CD1-CG 3.58Å
424	A	92.3	Very high	91.1	Very high	9 Å²	9	30.5 Å²	30.5	7%	0.074	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	164.3	180	0	0	0	0	0	111.6	Y426 T448	A424-Y426 HydrophobicContact CB-CE2 3.5Å; A424-Y426 VanDerWaalsContact CB-OH 3.24Å; A424-Y426 WeakPolarHBondContact CB-OH 3.39Å; A424-T448 PolarHBondContact O-N 3.4Å; A424-T448 VanDerWaalsContact O-N 3.12Å
425	L	93.8	Very high	90.9	Very high	4 Å²	4	31.2 Å²	31.2	2%	0.021	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	123.7	174.7	-180	158.1	0	0	0	109.7	M404 I412 L413 L416 I445 S446 V447	M404-L425 VanDerWaalsContact O-CD2 3.24Å; M404-L425 WeakPolarHBondContact O-CD2 3.33Å; I412-L425 HydrophobicContact CB-CD1 3.95Å; I412-L425 HydrophobicContact CG2-CD1 3.55Å; L413-L425 HydrophobicContact CB-CB 4.07Å; L413-L425 HydrophobicContact CD1-CB 3.94Å; L413-L425 HydrophobicContact CD2-CB 4.06Å; L413-L425 HydrophobicContact CG-CB 4.23Å; L416-L425 HydrophobicContact CD1-CD1 4.28Å; L425-I445 HydrophobicContact CD1-CG2 4.31Å; L425-I445 HydrophobicContact CD2-CG2 4.08Å; L425-I445 HydrophobicContact CG-CG2 4.08Å; L425-S446 CarbonylContact C-O 3.47Å; L425-S446 VanDerWaalsContact CA-O 3.31Å; L425-S446 WeakPolarHBondContact CA-O 3.43Å; L425-V447 HydrophobicContact CD1-CG2 3.91Å; L425-V447 HydrophobicContact CG-CG2 4.07Å
426	Y	92.3	Very high	90.7	Very high	76 Å²	76	31.9 Å²	31.9	30%	0.298	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	140.8	176.7	-50.1	-91.5	0	0	0	107.5	D125 E126 A424 I445 S446	D125-Y426 HydrophobicContact CB-CE1 4.39Å; D125-Y426 PolarHBondContact O-OH 2.78Å; E126-Y426 HydrophobicContact CB-CE2 4.24Å; E126-Y426 HydrophobicContact CG-CD2 3.85Å; E126-Y426 HydrophobicContact CG-CE2 3.97Å; E126-Y426 HydrophobicContact CG-CG 4.45Å; A424-Y426 HydrophobicContact CB-CE2 3.5Å; A424-Y426 VanDerWaalsContact CB-OH 3.24Å; A424-Y426 WeakPolarHBondContact CB-OH 3.39Å; Y426-I445 CarbonylContact O-C 3.55Å; Y426-I445 VanDerWaalsContact O-CA 3.26Å; Y426-I445 WeakPolarHBondContact O-CA 3.26Å; Y426-S446 PolarHBondContact N-O 2.6Å; Y426-S446 PolarHBondContact O-N 3.18Å
427	G	89.6	Confident	90.6	Very high	10 Å²	10	32.2 Å²	32.2	10%	0.103	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	113.3	-177.2	0	0	0	0	0	110.2	S401 S444	S401-G427 WeakPolarHBondContact CA-O 3.23Å; S401-G427 WeakPolarHBondContact CB-O 3.45Å; S401-G427 PolarHBondContact OG-O 3.23Å; G427-S444 CarbonylContact C-O 3.45Å; G427-S444 WeakPolarHBondContact CA-O 3.26Å
428	G	90.9	Very high	90.6	Very high	16 Å²	16	32.5 Å²	32.5	17%	0.165	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176	-154.8	-172.4	0	0	0	0	0	115.1	F443 S444	G428-F443 CarbonylContact O-C 3.6Å; G428-F443 WeakPolarHBondContact O-CA 3.35Å; G428-S444 PolarHBondContact N-O 2.75Å; G428-S444 PolarHBondContact O-N 3.18Å
429	N	88.4	Confident	90.8	Very high	24 Å²	24	26.5 Å²	26.5	13%	0.128	14%	0.138	C	C	.	.			trans	-142.9	126.5	175	168.8	-127.9	0	0	0	103.9	L397 E431 D435 Q436 I442	L397-N429 HydrophobicContact CD1-CB 3.91Å; N429-E431 PolarHBondContact O-N 3.37Å; N429-E431 VanDerWaalsContact O-N 3.11Å; N429-D435 WeakPolarHBondContact CA-OD2 3.45Å; N429-D435 WeakPolarHBondContact ND2-CB 3.38Å; N429-D435 PolarHBondContact ND2-O 3.39Å; N429-D435 VanDerWaalsContact ND2-O 3.1Å; N429-D435 PolarHBondContact ND2-OD2 3.11Å; N429-Q436 WeakPolarHBondContact OD1-CB 3.49Å; N429-I442 WeakPolarHBondContact CB-O 3.12Å; N429-I442 PolarHBondContact ND2-O 3.31Å; N429-I442 VanDerWaalsContact ND2-O 3.09Å
430	S	77.1	Confident	90.9	Very high	38 Å²	38	22.1 Å²	22.1	27%	0.266	12%	0.122	S	C	.	.			trans	-72.7	0.1	-175.2	56.8	0	0	0	0	113.6	E122 S432 D435	E122-S430 WeakPolarHBondContact OE1-CB 3.49Å; S430-S432 PolarHBondContact O-N 3.03Å; S430-S432 PolarHBondContact OG-OG 3Å; S430-D435 PolarHBondContact N-OD2 3.46Å; S430-D435 WeakPolarHBondContact OG-CB 3.39Å
431	E	82.1	Confident	90.9	Very high	86 Å²	86	21.4 Å²	21.4	40%	0.402	12%	0.117	S	C	.	.			trans	55.2	-0.6	-172.8	-51.7	-151.2	163.6	0	0	115.9	N429	N429-E431 PolarHBondContact O-N 3.37Å; N429-E431 VanDerWaalsContact O-N 3.11Å
432	S	86.6	Confident	90.9	Very high	19 Å²	19	20.1 Å²	20.1	13%	0.133	11%	0.112	C	C	.	.	S	Bend	trans	-57.5	156.7	170.3	88.8	0	0	0	0	111.7	S430 F434 D435 Q436	S430-S432 PolarHBondContact O-N 3.03Å; S430-S432 PolarHBondContact OG-OG 3Å; S432-F434 PolarHBondContact O-N 3.47Å; S432-F434 PolarHBondContact OG-N 2.77Å; S432-D435 CarbonylContact O-C 3.16Å; S432-D435 PolarHBondContact O-N 3.07Å; S432-Q436 PolarHBondContact O-N 3.48Å
433	G	85.9	Confident	91	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.01	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-16	-179	0	0	0	0	0	114.2	D207 C208 N437	D207-G433 WeakPolarHBondContact OD1-CA 3.48Å; D207-G433 PolarHBondContact OD1-N 2.61Å; D207-G433 VanDerWaalsContact OD1-N 3.09Å; D207-G433 VanDerWaalsContact OD2-CA 3.29Å; D207-G433 WeakPolarHBondContact OD2-CA 3.23Å; D207-G433 PolarHBondContact OD2-N 3.49Å; C208-G433 WeakPolarHBondContact CB-O 3.18Å; C208-G433 VanDerWaalsContact SG-C 3.55Å; C208-G433 PolarHBondContact SG-O 2.89Å; G433-N437 WeakPolarHBondContact O-CB 3.04Å; G433-N437 PolarHBondContact O-ND2 3.49Å
434	F	90.6	Very high	91.3	Very high	30 Å²	30	20.2 Å²	20.2	13%	0.132	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-44.7	167	-177.2	-85.8	0	0	0	110.5	E266 F269 M279 S432 Y440	E266-F434 HydrophobicContact CB-CE2 3.88Å; E266-F434 HydrophobicContact CB-CZ 3.9Å; E266-F434 HydrophobicContact CG-CE1 4.45Å; E266-F434 HydrophobicContact CG-CE2 4.34Å; E266-F434 HydrophobicContact CG-CZ 4.23Å; E266-F434 WeakPolarHBondContact O-CZ 3.43Å; E266-F434 VanDerWaalsContact OE1-CD2 3.29Å; E266-F434 WeakPolarHBondContact OE1-CD2 3.4Å; E266-F434 WeakPolarHBondContact OE1-CG 3.33Å; F269-F434 HydrophobicContact CB-CZ 4.25Å; F269-F434 AromaticContact CD1-CE1 3.81Å; F269-F434 HydrophobicContact CD1-CE1 3.81Å; F269-F434 AromaticContact CD1-CZ 3.78Å; F269-F434 HydrophobicContact CD1-CZ 3.78Å; F269-F434 HydrophobicContact CE1-CE1 4.33Å; F269-F434 HydrophobicContact CG-CZ 4.43Å; M279-F434 HydrophobicContact CE-CD1 3.81Å; M279-F434 HydrophobicContact CE-CD2 3.48Å; M279-F434 VanDerWaalsContact CE-CD2 3.48Å; M279-F434 HydrophobicContact CE-CE1 3.56Å; M279-F434 HydrophobicContact CE-CE2 3.22Å; M279-F434 HydrophobicContact CE-CG 3.77Å; M279-F434 HydrophobicContact CE-CZ 3.27Å; M279-F434 HydrophobicContact SD-CD2 3.99Å; M279-F434 HydrophobicContact SD-CE2 3.95Å; S432-F434 PolarHBondContact O-N 3.47Å; S432-F434 PolarHBondContact OG-N 2.77Å; F434-Y440 WeakPolarHBondContact O-CE2 3.45Å; F434-Y440 PolarHBondContact O-OH 3.08Å
435	D	91.1	Very high	91.5	Very high	17 Å²	17	19.8 Å²	19.8	9%	0.091	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-27.2	-168.7	-134.9	50.2	0	0	0	112.5	N429 S430 S432 S441 I442	N429-D435 WeakPolarHBondContact CA-OD2 3.45Å; N429-D435 WeakPolarHBondContact ND2-CB 3.38Å; N429-D435 PolarHBondContact ND2-O 3.39Å; N429-D435 VanDerWaalsContact ND2-O 3.1Å; N429-D435 PolarHBondContact ND2-OD2 3.11Å; S430-D435 PolarHBondContact N-OD2 3.46Å; S430-D435 WeakPolarHBondContact OG-CB 3.39Å; S432-D435 CarbonylContact O-C 3.16Å; S432-D435 PolarHBondContact O-N 3.07Å; D435-S441 CarbonylContact O-C 3.57Å; D435-S441 VanDerWaalsContact O-CA 3.29Å; D435-S441 WeakPolarHBondContact O-CA 3.28Å; D435-I442 PolarHBondContact O-N 3.21Å; D435-I442 VanDerWaalsContact OD1-CB 3.27Å; D435-I442 WeakPolarHBondContact OD1-CB 3.24Å
436	Q	92	Very high	91.7	Very high	27 Å²	27	20.2 Å²	20.2	13%	0.126	11%	0.114	C	C	.	.	B	Isolated β-bridge	trans	-141.4	111.4	179.1	173.9	152.8	-101.4	0	0	112.3	V389 N429 S432 S441	V389-Q436 HydrophobicContact CG2-CG 3.51Å; N429-Q436 WeakPolarHBondContact OD1-CB 3.49Å; S432-Q436 PolarHBondContact O-N 3.48Å; Q436-S441 PolarHBondContact OE1-OG 3.16Å
437	N	93.7	Very high	91.9	Very high	6 Å²	6	16.7 Å²	16.7	3%	0.032	10%	0.101	C	C	.	.	S	Bend	trans	-148.1	-173.7	-178.2	57	59.5	0	0	0	112.8	E209 G433 T439 Y440	E209-N437 HydrophobicContact CG-CB 4.39Å; E209-N437 WeakPolarHBondContact OE2-CB 3.21Å; G433-N437 WeakPolarHBondContact O-CB 3.04Å; G433-N437 PolarHBondContact O-ND2 3.49Å; N437-T439 PolarHBondContact O-N 3.13Å; N437-T439 WeakPolarHBondContact OD1-CA 3.44Å; N437-T439 WeakPolarHBondContact OD1-CB 3.2Å; N437-T439 PolarHBondContact OD1-N 3.15Å; N437-T439 PolarHBondContact OD1-OG1 2.81Å; N437-Y440 PolarHBondContact N-O 3.15Å; N437-Y440 VanDerWaalsContact N-O 3.08Å; N437-Y440 PolarHBondContact ND2-OH 3.22Å; N437-Y440 VanDerWaalsContact O-O 3.13Å; N437-Y440 PolarHBondContact OD1-N 3.15Å
438	S	94	Very high	92.2	Very high	36 Å²	36	16.5 Å²	16.5	25%	0.252	10%	0.097	S	C	.	.	S	Bend	trans	-61.8	-14.5	179.5	81	0	0	0	0	114.5	E209 S353 P387	E209-S438 WeakPolarHBondContact OE1-CB 3.16Å; E209-S438 PolarHBondContact OE1-OG 2.72Å; E209-S438 VanDerWaalsContact OE2-CB 3.29Å; E209-S438 WeakPolarHBondContact OE2-CB 3.49Å; E209-S438 PolarHBondContact OE2-N 3.1Å; E209-S438 PolarHBondContact OE2-OG 2.82Å; S353-S438 WeakPolarHBondContact CA-O 3.49Å; S353-S438 PolarHBondContact N-OG 3.46Å; P387-S438 VanDerWaalsContact CG-O 3.28Å; P387-S438 WeakPolarHBondContact CG-O 3.41Å
439	T	95.4	Very high	92.5	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.09	C	C	.	.	S	Bend	trans	-107.9	-31.6	-168.9	79.1	0	0	0	0	114.4	H277 F352 Q356 N437	H277-T439 PolarHBondContact CE1-OG1 3.13Å; F352-T439 HydrophobicContact CB-CG2 3.47Å; F352-T439 VanDerWaalsContact CB-CG2 3.47Å; F352-T439 VanDerWaalsContact O-CG2 3.32Å; F352-T439 WeakPolarHBondContact O-CG2 3.33Å; Q356-T439 WeakPolarHBondContact CA-O 3.47Å; N437-T439 PolarHBondContact O-N 3.13Å; N437-T439 WeakPolarHBondContact OD1-CA 3.44Å; N437-T439 WeakPolarHBondContact OD1-CB 3.2Å; N437-T439 PolarHBondContact OD1-N 3.15Å; N437-T439 PolarHBondContact OD1-OG1 2.81Å
440	Y	95.3	Very high	92.8	Very high	2 Å²	2	15.1 Å²	15.1	1%	0.008	9%	0.087	C	C	.	.			trans	-160.5	175.2	172.9	57.2	-86.5	0	0	0	111.3	M279 P358 F359 L385 F434 N437 I442	M279-Y440 HydrophobicContact CE-CE2 4.46Å; M279-Y440 WeakPolarHBondContact CE-OH 3.45Å; M279-Y440 PolarHBondContact SD-OH 3.11Å; P358-Y440 HydrophobicContact CG-CD1 3.23Å; P358-Y440 HydrophobicContact CG-CE1 3.67Å; P358-Y440 HydrophobicContact CG-CG 4.07Å; F359-Y440 HydrophobicContact CE2-CD1 4.38Å; F359-Y440 HydrophobicContact CE2-CD2 4.23Å; F359-Y440 HydrophobicContact CE2-CE1 4.21Å; F359-Y440 HydrophobicContact CE2-CE2 4.06Å; F359-Y440 HydrophobicContact CE2-CG 4.43Å; L385-Y440 WeakPolarHBondContact O-CA 3.48Å; L385-Y440 VanDerWaalsContact O-CB 3.28Å; L385-Y440 WeakPolarHBondContact O-CB 3.37Å; F434-Y440 WeakPolarHBondContact O-CE2 3.45Å; F434-Y440 PolarHBondContact O-OH 3.08Å; N437-Y440 PolarHBondContact N-O 3.15Å; N437-Y440 VanDerWaalsContact N-O 3.08Å; N437-Y440 PolarHBondContact ND2-OH 3.22Å; N437-Y440 VanDerWaalsContact O-O 3.13Å; N437-Y440 PolarHBondContact OD1-N 3.15Å; Y440-I442 HydrophobicContact CD2-CD1 3.62Å; Y440-I442 HydrophobicContact CD2-CG1 3.78Å; Y440-I442 HydrophobicContact CE2-CD1 3.89Å; Y440-I442 HydrophobicContact CE2-CG1 3.7Å
441	S	96.4	Very high	93.5	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	142.9	155.9	-59.3	0	0	0	0	108.6	L385 Q388 D435 Q436	L385-S441 WeakPolarHBondContact CA-O 3.37Å; L385-S441 WeakPolarHBondContact CB-O 3.31Å; L385-S441 PolarHBondContact N-O 2.98Å; L385-S441 PolarHBondContact O-N 3.12Å; Q388-S441 PolarHBondContact N-OG 3.47Å; D435-S441 CarbonylContact O-C 3.57Å; D435-S441 VanDerWaalsContact O-CA 3.29Å; D435-S441 WeakPolarHBondContact O-CA 3.28Å; Q436-S441 PolarHBondContact OE1-OG 3.16Å
442	I	96.1	Very high	94.1	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	148.9	169.1	-58.1	-53.4	0	0	0	108.5	F269 F359 W383 A384 N429 D435 Y440 S444	F269-I442 HydrophobicContact CE1-CD1 3.91Å; F269-I442 HydrophobicContact CE1-CG1 4.03Å; F269-I442 HydrophobicContact CZ-CD1 3.87Å; F269-I442 HydrophobicContact CZ-CG1 4.19Å; F269-I442 HydrophobicContact CZ-CG2 4.21Å; F359-I442 HydrophobicContact CD2-CD1 4.01Å; F359-I442 HydrophobicContact CE2-CD1 3.82Å; W383-I442 WeakPolarHBondContact O-CA 3.49Å; A384-I442 HydrophobicContact CB-CD1 4.04Å; N429-I442 WeakPolarHBondContact CB-O 3.12Å; N429-I442 PolarHBondContact ND2-O 3.31Å; N429-I442 VanDerWaalsContact ND2-O 3.09Å; D435-I442 PolarHBondContact O-N 3.21Å; D435-I442 VanDerWaalsContact OD1-CB 3.27Å; D435-I442 WeakPolarHBondContact OD1-CB 3.24Å; Y440-I442 HydrophobicContact CD2-CD1 3.62Å; Y440-I442 HydrophobicContact CD2-CG1 3.78Å; Y440-I442 HydrophobicContact CE2-CD1 3.89Å; Y440-I442 HydrophobicContact CE2-CG1 3.7Å; I442-S444 WeakPolarHBondContact CG2-OG 3.19Å
443	F	97.2	Very high	94.6	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	126.3	161.8	-172.6	-89.8	0	0	0	107	S382 W383 L385 L397 I400 M404 G428 I445 L541	S382-F443 CarbonylContact C-O 3.45Å; S382-F443 WeakPolarHBondContact CA-O 3.34Å; W383-F443 HydrophobicContact CE3-CD1 4.15Å; W383-F443 HydrophobicContact CZ3-CD1 4.38Å; W383-F443 PolarHBondContact N-O 2.97Å; W383-F443 PolarHBondContact O-N 3Å; L385-F443 HydrophobicContact CD1-CB 3.93Å; L397-F443 HydrophobicContact CB-CD2 4.37Å; L397-F443 HydrophobicContact CD2-CD2 4.11Å; I400-F443 HydrophobicContact CB-CE2 4.27Å; I400-F443 HydrophobicContact CB-CZ 4.33Å; I400-F443 HydrophobicContact CG2-CE1 4.17Å; I400-F443 HydrophobicContact CG2-CE2 4.06Å; I400-F443 HydrophobicContact CG2-CZ 3.66Å; M404-F443 HydrophobicContact CB-CZ 4.41Å; M404-F443 HydrophobicContact CG-CE1 4.2Å; M404-F443 HydrophobicContact CG-CZ 4.11Å; G428-F443 CarbonylContact O-C 3.6Å; G428-F443 WeakPolarHBondContact O-CA 3.35Å; F443-I445 HydrophobicContact CE1-CD1 4.22Å; F443-I445 HydrophobicContact CE1-CG1 3.97Å; F443-L541 HydrophobicContact CB-CD2 4.14Å; F443-L541 HydrophobicContact CD1-CD1 3.98Å; F443-L541 HydrophobicContact CD1-CD2 4.08Å; F443-L541 HydrophobicContact CE1-CD1 4.15Å; F443-L541 HydrophobicContact CG-CD2 4.33Å
444	S	96.6	Very high	95.1	Very high	24 Å²	24	16.4 Å²	16.4	17%	0.168	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	150.3	-175.2	-70.8	0	0	0	0	111	I381 S382 G427 G428 I442	I381-S444 CarbonylContact O-C 3.33Å; I381-S444 WeakPolarHBondContact O-CA 3.48Å; S382-S444 WeakPolarHBondContact CB-OG 3.26Å; S382-S444 PolarHBondContact OG-OG 3.37Å; G427-S444 CarbonylContact C-O 3.45Å; G427-S444 WeakPolarHBondContact CA-O 3.26Å; G428-S444 PolarHBondContact N-O 2.75Å; G428-S444 PolarHBondContact O-N 3.18Å; I442-S444 WeakPolarHBondContact CG2-OG 3.19Å
445	I	97.3	Very high	95.3	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	107.6	168.4	-60.3	171.2	0	0	0	107.5	T380 I381 W383 M404 L425 Y426 F443 V447 V464	T380-I445 CarbonylContact C-O 3.49Å; T380-I445 WeakPolarHBondContact CA-O 3.43Å; I381-I445 HydrophobicContact CB-CB 4.49Å; I381-I445 PolarHBondContact N-O 3.29Å; I381-I445 PolarHBondContact O-N 3.02Å; W383-I445 HydrophobicContact CH2-CD1 3.97Å; W383-I445 HydrophobicContact CZ3-CD1 3.76Å; W383-I445 HydrophobicContact CZ3-CG1 4.05Å; M404-I445 HydrophobicContact CB-CD1 4.3Å; M404-I445 HydrophobicContact CE-CD1 3.39Å; M404-I445 HydrophobicContact CG-CD1 4.29Å; L425-I445 HydrophobicContact CD1-CG2 4.31Å; L425-I445 HydrophobicContact CD2-CG2 4.08Å; L425-I445 HydrophobicContact CG-CG2 4.08Å; Y426-I445 CarbonylContact O-C 3.55Å; Y426-I445 VanDerWaalsContact O-CA 3.26Å; Y426-I445 WeakPolarHBondContact O-CA 3.26Å; F443-I445 HydrophobicContact CE1-CD1 4.22Å; F443-I445 HydrophobicContact CE1-CG1 3.97Å; I445-V447 HydrophobicContact CG2-CG2 4.18Å; I445-V464 HydrophobicContact CD1-CG1 3.56Å
446	S	96.4	Very high	95.6	Very high	13 Å²	13	22.8 Å²	22.8	9%	0.091	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	135.6	171.8	-79.1	0	0	0	0	109.7	E126 L379 L425 Y426	E126-S446 WeakPolarHBondContact OE1-CB 3.31Å; E126-S446 PolarHBondContact OE1-OG 3.36Å; L379-S446 CarbonylContact O-C 3.55Å; L379-S446 WeakPolarHBondContact O-CA 3.35Å; L425-S446 CarbonylContact C-O 3.47Å; L425-S446 VanDerWaalsContact CA-O 3.31Å; L425-S446 WeakPolarHBondContact CA-O 3.43Å; Y426-S446 PolarHBondContact N-O 2.6Å; Y426-S446 PolarHBondContact O-N 3.18Å
447	V	97.5	Very high	95.8	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.006	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	114.5	175.5	-169.6	0	0	0	0	109.2	A378 L379 L416 A422 L425 I445 L449 V460	A378-V447 WeakPolarHBondContact CA-O 3.18Å; L379-V447 HydrophobicContact CB-CB 4.47Å; L379-V447 PolarHBondContact N-O 2.9Å; L379-V447 PolarHBondContact O-N 2.97Å; L416-V447 HydrophobicContact CD1-CG1 3.97Å; A422-V447 HydrophobicContact CB-CG1 3.52Å; L425-V447 HydrophobicContact CD1-CG2 3.91Å; L425-V447 HydrophobicContact CG-CG2 4.07Å; I445-V447 HydrophobicContact CG2-CG2 4.18Å; V447-L449 HydrophobicContact CB-CD2 4.38Å; V447-L449 HydrophobicContact CG1-CD2 3.86Å; V447-L449 PolarHBondContact O-N 3.18Å; V447-V460 HydrophobicContact CG1-CG1 4.16Å; V447-V460 HydrophobicContact CG2-CG1 4.49Å
448	T	95.9	Very high	95.9	Very high	6 Å²	6	23.5 Å²	23.5	4%	0.037	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	105.7	173.6	-49	0	0	0	0	108.4	A422 L423 A424	A422-T448 CarbonylContact C-O 3.22Å; A422-T448 VanDerWaalsContact CA-O 3.27Å; A422-T448 WeakPolarHBondContact CA-O 3.42Å; A422-T448 WeakPolarHBondContact CB-O 3.33Å; L423-T448 HydrophobicContact CB-CG2 4.45Å; L423-T448 HydrophobicContact CD1-CG2 4.38Å; L423-T448 PolarHBondContact N-O 2.92Å; A424-T448 PolarHBondContact O-N 3.4Å; A424-T448 VanDerWaalsContact O-N 3.12Å
449	L	96.4	Very high	96.1	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.005	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	151.3	-171.9	-64.5	178.6	0	0	0	112.2	H377 L379 V447 F457 V460 L550	H377-L449 HydrophobicContact CB-CB 3.84Å; H377-L449 PolarHBondContact O-N 2.89Å; L379-L449 HydrophobicContact CB-CD1 3.8Å; L379-L449 HydrophobicContact CB-CG 4.21Å; V447-L449 HydrophobicContact CB-CD2 4.38Å; V447-L449 HydrophobicContact CG1-CD2 3.86Å; V447-L449 PolarHBondContact O-N 3.18Å; L449-F457 HydrophobicContact CD1-CB 4.31Å; L449-V460 HydrophobicContact CD2-CB 4.46Å; L449-V460 HydrophobicContact CD2-CG1 4.09Å; L449-V460 HydrophobicContact CD2-CG2 4.04Å; L449-L550 HydrophobicContact CD1-CD1 4.02Å
450	T	94.7	Very high	96.2	Very high	10 Å²	10	25.5 Å²	25.5	6%	0.061	13%	0.128	C	C	.	.			trans	-85.3	169.5	161.8	71.9	0	0	0	0	110.2	C420 W421 L423 L452 G453 Y454 M732	C420-T450 WeakPolarHBondContact O-CG2 3.39Å; C420-T450 PolarHBondContact O-OG1 2.9Å; W421-T450 PolarHBondContact O-N 3.13Å; W421-T450 PolarHBondContact O-OG1 2.84Å; L423-T450 HydrophobicContact CD2-CG2 4.08Å; L423-T450 HydrophobicContact CG-CG2 4.11Å; T450-L452 PolarHBondContact O-N 2.7Å; T450-L452 VanDerWaalsContact O-N 3.16Å; T450-L452 PolarHBondContact OG1-N 2.62Å; T450-G453 CarbonylContact O-C 3.49Å; T450-G453 WeakPolarHBondContact O-CA 3.46Å; T450-G453 PolarHBondContact O-N 2.78Å; T450-G453 PolarHBondContact OG1-N 3.1Å; T450-Y454 PolarHBondContact O-N 3.13Å; T450-M732 HydrophobicContact CG2-CG 3.61Å; T450-M732 HydrophobicContact CG2-SD 3.58Å; T450-M732 VanDerWaalsContact CG2-SD 3.58Å
451	D	92.5	Very high	96.3	Very high	59 Å²	59	25.4 Å²	25.4	32%	0.316	13%	0.127	S	C	.	.	H	α-helix	trans	-53.2	-36.2	170.7	-62.3	11	0	0	0	112.4	H377 Q455 K739	H377-D451 IonicContact CE1-OD1 2.95Å; H377-D451 PolarHBondContact CE1-OD1 3.15Å; H377-D451 IonicContact ND1-OD1 3.11Å; H377-D451 PolarHBondContact ND1-OD1 3.47Å; D451-Q455 VanDerWaalsContact O-CG 3.27Å; D451-Q455 WeakPolarHBondContact O-CG 3.5Å; D451-Q455 PolarHBondContact O-N 2.99Å; D451-Q455 VanDerWaalsContact O-N 3.13Å; D451-Q455 PolarHBondContact O-NE2 3.22Å; D451-K739 WeakPolarHBondContact OD1-CE 3.05Å; D451-K739 IonicContact OD1-NZ 3.25Å; D451-K739 PolarHBondContact OD1-NZ 2.86Å
452	L	94.8	Very high	96.3	Very high	76 Å²	76	25.9 Å²	25.9	40%	0.398	13%	0.13	S	C	.	.	H	α-helix	trans	-75.6	-36.1	177.5	-174.7	65.8	0	0	0	111.5	T450 Q455 N456	T450-L452 PolarHBondContact O-N 2.7Å; T450-L452 VanDerWaalsContact O-N 3.16Å; T450-L452 PolarHBondContact OG1-N 2.62Å; L452-Q455 PolarHBondContact O-N 2.81Å; L452-N456 PolarHBondContact O-N 3.11Å; L452-N456 VanDerWaalsContact O-N 3.16Å; L452-N456 PolarHBondContact O-ND2 2.92Å
453	G	96.4	Very high	96.4	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-61.6	-46.3	170.9	0	0	0	0	0	112.3	W421 T450 Q455 N456 F457	W421-G453 WeakPolarHBondContact O-CA 3.4Å; T450-G453 CarbonylContact O-C 3.49Å; T450-G453 WeakPolarHBondContact O-CA 3.46Å; T450-G453 PolarHBondContact O-N 2.78Å; T450-G453 PolarHBondContact OG1-N 3.1Å; G453-Q455 PolarHBondContact O-N 2.83Å; G453-N456 CarbonylContact O-C 3.59Å; G453-N456 WeakPolarHBondContact O-CA 3.39Å; G453-N456 PolarHBondContact O-N 2.84Å; G453-F457 VanDerWaalsContact O-CA 3.31Å; G453-F457 WeakPolarHBondContact O-CA 3.35Å; G453-F457 PolarHBondContact O-N 3.03Å
454	Y	96	Very high	96.5	Very high	36 Å²	36	26.1 Å²	26.1	14%	0.141	13%	0.131	C	C	.	.	H	α-helix	trans	-57.9	-44.9	174.1	174.7	-111.9	0	0	0	111.8	H377 T450 N456 F457 L550 A552 E554	H377-Y454 AromaticContact CD2-CG 3.84Å; T450-Y454 PolarHBondContact O-N 3.13Å; Y454-N456 PolarHBondContact O-N 3.17Å; Y454-F457 WeakPolarHBondContact O-CD1 3.35Å; Y454-F457 PolarHBondContact O-N 2.84Å; Y454-L550 HydrophobicContact CD2-CD1 4.19Å; Y454-L550 HydrophobicContact CD2-CD2 4.24Å; Y454-L550 HydrophobicContact CD2-CG 4.34Å; Y454-L550 HydrophobicContact CE2-CD1 4.43Å; Y454-L550 HydrophobicContact CE2-CD2 3.75Å; Y454-L550 HydrophobicContact CE2-CG 4.08Å; Y454-A552 HydrophobicContact CD2-CB 3.89Å; Y454-A552 HydrophobicContact CE1-CB 4.32Å; Y454-A552 HydrophobicContact CE2-CB 3.33Å; Y454-E554 HydrophobicContact CE1-CB 4.07Å; Y454-E554 HydrophobicContact CE1-CG 4.22Å
455	Q	96.1	Very high	96.5	Very high	140 Å²	140	25 Å²	25	65%	0.654	12%	0.123	S	C	*	.	H	α-helix	trans	-63.2	-22.7	174.3	-71.5	168.6	38.5	0	0	113.8	D451 L452 G453	D451-Q455 VanDerWaalsContact O-CG 3.27Å; D451-Q455 WeakPolarHBondContact O-CG 3.5Å; D451-Q455 PolarHBondContact O-N 2.99Å; D451-Q455 VanDerWaalsContact O-N 3.13Å; D451-Q455 PolarHBondContact O-NE2 3.22Å; L452-Q455 PolarHBondContact O-N 2.81Å; G453-Q455 PolarHBondContact O-N 2.83Å
456	N	96.8	Very high	96.5	Very high	42 Å²	42	26 Å²	26	23%	0.225	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.4	26.5	-178.4	-65.2	-91.3	0	0	0	112.1	W421 L452 G453 Y454 F458 Q459 V460	W421-N456 HydrophobicContact CD2-CB 4.46Å; W421-N456 HydrophobicContact CH2-CB 4.48Å; W421-N456 HydrophobicContact CZ2-CB 4.06Å; L452-N456 PolarHBondContact O-N 3.11Å; L452-N456 VanDerWaalsContact O-N 3.16Å; L452-N456 PolarHBondContact O-ND2 2.92Å; G453-N456 CarbonylContact O-C 3.59Å; G453-N456 WeakPolarHBondContact O-CA 3.39Å; G453-N456 PolarHBondContact O-N 2.84Å; Y454-N456 PolarHBondContact O-N 3.17Å; N456-F458 PolarHBondContact O-N 3.13Å; N456-F458 VanDerWaalsContact O-N 3.11Å; N456-Q459 HydrophobicContact CB-CB 4.46Å; N456-Q459 WeakPolarHBondContact O-CA 3.37Å; N456-Q459 WeakPolarHBondContact O-CB 3.32Å; N456-Q459 PolarHBondContact O-N 3.04Å; N456-Q459 PolarHBondContact O-OE1 3.24Å; N456-Q459 VanDerWaalsContact O-OE1 3.08Å; N456-V460 PolarHBondContact O-N 2.87Å
457	F	96.4	Very high	96.6	Very high	25 Å²	25	25.5 Å²	25.5	11%	0.11	12%	0.124	C	C	.	.	H	α-helix	trans	-60.5	-30.7	-169.1	77.8	-79.6	0	0	0	113	L367 L449 G453 Y454 Q459 V460 V461 L550 W579	L367-F457 HydrophobicContact CD1-CE2 4.15Å; L367-F457 HydrophobicContact CD2-CE2 4.04Å; L367-F457 HydrophobicContact CD2-CZ 4.06Å; L449-F457 HydrophobicContact CD1-CB 4.31Å; G453-F457 VanDerWaalsContact O-CA 3.31Å; G453-F457 WeakPolarHBondContact O-CA 3.35Å; G453-F457 PolarHBondContact O-N 3.03Å; Y454-F457 WeakPolarHBondContact O-CD1 3.35Å; Y454-F457 PolarHBondContact O-N 2.84Å; F457-Q459 VanDerWaalsContact C-N 3.34Å; F457-Q459 PolarHBondContact O-N 3.23Å; F457-V460 WeakPolarHBondContact O-CB 3.17Å; F457-V460 PolarHBondContact O-N 3.19Å; F457-V461 WeakPolarHBondContact O-CG2 3.49Å; F457-V461 PolarHBondContact O-N 3.12Å; F457-L550 HydrophobicContact CB-CD1 4.16Å; F457-L550 HydrophobicContact CD1-CD2 4.14Å; F457-L550 HydrophobicContact CD2-CD1 4.16Å; F457-L550 HydrophobicContact CD2-CD2 3.78Å; F457-L550 HydrophobicContact CE1-CD2 4.18Å; F457-L550 HydrophobicContact CE2-CD2 3.81Å; F457-L550 HydrophobicContact CG-CD1 4.23Å; F457-L550 HydrophobicContact CG-CD2 3.95Å; F457-L550 HydrophobicContact CZ-CD2 4.01Å; F457-W579 AromaticContact CE2-CH2 3.66Å; F457-W579 HydrophobicContact CE2-CH2 3.66Å; F457-W579 HydrophobicContact CE2-CZ3 4.2Å; F457-W579 AromaticContact CZ-CH2 3.63Å; F457-W579 HydrophobicContact CZ-CH2 3.63Å; F457-W579 HydrophobicContact CZ-CZ2 4.45Å
458	F	96.6	Very high	96.6	Very high	23 Å²	23	25.6 Å²	25.6	10%	0.101	12%	0.124	C	C	.	.	H	α-helix	trans	-58.8	-43.2	171.2	171.3	-114.6	0	0	0	112.9	N456 V460 V461 H462 W579 W583	N456-F458 PolarHBondContact O-N 3.13Å; N456-F458 VanDerWaalsContact O-N 3.11Å; F458-V460 VanDerWaalsContact C-N 3.29Å; F458-V460 PolarHBondContact O-N 2.78Å; F458-V461 PolarHBondContact O-N 3.31Å; F458-H462 WeakPolarHBondContact O-CB 3.15Å; F458-H462 PolarHBondContact O-N 3.18Å; F458-W579 HydrophobicContact CB-CH2 3.85Å; F458-W579 HydrophobicContact CB-CZ2 3.56Å; F458-W579 AromaticContact CD2-CD1 3.82Å; F458-W579 AromaticContact CD2-CD2 3.28Å; F458-W579 HydrophobicContact CD2-CD2 3.28Å; F458-W579 AromaticContact CD2-CE2 3.2Å; F458-W579 AromaticContact CD2-CE3 3.7Å; F458-W579 HydrophobicContact CD2-CE3 3.7Å; F458-W579 AromaticContact CD2-CG 3.72Å; F458-W579 HydrophobicContact CD2-CG 3.72Å; F458-W579 AromaticContact CD2-CH2 3.93Å; F458-W579 HydrophobicContact CD2-CH2 3.93Å; F458-W579 AromaticContact CD2-CZ2 3.57Å; F458-W579 HydrophobicContact CD2-CZ2 3.57Å; F458-W579 AromaticContact CD2-CZ3 4Å; F458-W579 HydrophobicContact CD2-CZ3 4Å; F458-W579 AromaticContact CD2-NE1 3.55Å; F458-W579 HydrophobicContact CE2-CB 3.91Å; F458-W579 AromaticContact CE2-CD1 3.42Å; F458-W579 VanDerWaalsContact CE2-CD1 3.42Å; F458-W579 AromaticContact CE2-CD2 3.48Å; F458-W579 HydrophobicContact CE2-CD2 3.48Å; F458-W579 VanDerWaalsContact CE2-CD2 3.48Å; F458-W579 AromaticContact CE2-CE2 3.69Å; F458-W579 HydrophobicContact CE2-CE3 4.13Å; F458-W579 AromaticContact CE2-CG 3.33Å; F458-W579 HydrophobicContact CE2-CG 3.33Å; F458-W579 HydrophobicContact CE2-CZ2 4.48Å; F458-W579 AromaticContact CE2-NE1 3.64Å; F458-W579 HydrophobicContact CG-CD2 4.22Å; F458-W579 AromaticContact CG-CE2 3.67Å; F458-W579 HydrophobicContact CG-CH2 4.25Å; F458-W579 AromaticContact CG-CZ2 3.71Å; F458-W579 HydrophobicContact CG-CZ2 3.71Å; F458-W579 AromaticContact CG-NE1 3.87Å; F458-W579 AromaticContact CZ-CD1 3.79Å; F458-W579 HydrophobicContact CZ-CG 4.11Å; F458-W583 AromaticContact CD2-CZ2 3.98Å; F458-W583 HydrophobicContact CD2-CZ2 3.98Å; F458-W583 HydrophobicContact CE2-CH2 4.43Å; F458-W583 AromaticContact CE2-CZ2 3.6Å; F458-W583 HydrophobicContact CE2-CZ2 3.6Å
459	Q	97.1	Very high	96.6	Very high	77 Å²	77	26.3 Å²	26.3	36%	0.36	13%	0.127	S	C	.	.	H	α-helix	trans	-68.1	-32.3	177.4	-68.9	75.2	4.8	0	0	110.9	W421 N456 F457 L463	W421-Q459 HydrophobicContact CH2-CB 3.65Å; W421-Q459 HydrophobicContact CH2-CG 4.21Å; W421-Q459 HydrophobicContact CZ3-CB 3.61Å; N456-Q459 HydrophobicContact CB-CB 4.46Å; N456-Q459 WeakPolarHBondContact O-CA 3.37Å; N456-Q459 WeakPolarHBondContact O-CB 3.32Å; N456-Q459 PolarHBondContact O-N 3.04Å; N456-Q459 PolarHBondContact O-OE1 3.24Å; N456-Q459 VanDerWaalsContact O-OE1 3.08Å; F457-Q459 VanDerWaalsContact C-N 3.34Å; F457-Q459 PolarHBondContact O-N 3.23Å; Q459-L463 VanDerWaalsContact O-CG 3.29Å; Q459-L463 WeakPolarHBondContact O-CG 3.39Å; Q459-L463 PolarHBondContact O-N 3.49Å
460	V	97.9	Very high	96.6	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-64.6	-54.1	171.7	-177	0	0	0	0	110.8	L379 L416 W421 V447 L449 N456 F457 F458 H462 L463 V464	L379-V460 HydrophobicContact CD2-CB 4.19Å; L379-V460 HydrophobicContact CD2-CG1 3.91Å; L416-V460 HydrophobicContact CD1-CG1 3.88Å; L416-V460 HydrophobicContact CD2-CB 4.34Å; L416-V460 HydrophobicContact CD2-CG1 3.99Å; L416-V460 HydrophobicContact CD2-CG2 3.99Å; W421-V460 HydrophobicContact CB-CG2 4.37Å; W421-V460 HydrophobicContact CE3-CG2 4.11Å; V447-V460 HydrophobicContact CG1-CG1 4.16Å; V447-V460 HydrophobicContact CG2-CG1 4.49Å; L449-V460 HydrophobicContact CD2-CB 4.46Å; L449-V460 HydrophobicContact CD2-CG1 4.09Å; L449-V460 HydrophobicContact CD2-CG2 4.04Å; N456-V460 PolarHBondContact O-N 2.87Å; F457-V460 WeakPolarHBondContact O-CB 3.17Å; F457-V460 PolarHBondContact O-N 3.19Å; F458-V460 VanDerWaalsContact C-N 3.29Å; F458-V460 PolarHBondContact O-N 2.78Å; V460-H462 PolarHBondContact O-N 3.01Å; V460-L463 WeakPolarHBondContact O-CB 3.4Å; V460-L463 PolarHBondContact O-N 2.74Å; V460-L463 VanDerWaalsContact O-N 3.07Å; V460-V464 PolarHBondContact O-N 2.78Å; V460-V464 VanDerWaalsContact O-N 3.11Å
461	V	97.6	Very high	96.7	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-52.7	-44.1	174.1	174.8	0	0	0	0	111.1	L379 I381 F457 F458 L463 V464 F465 L548 W583	L379-V461 HydrophobicContact CD1-CG2 3.95Å; L379-V461 HydrophobicContact CD2-CG2 3.58Å; L379-V461 HydrophobicContact CG-CG2 4.35Å; I381-V461 HydrophobicContact CD1-CB 4.34Å; I381-V461 HydrophobicContact CD1-CG1 4.27Å; I381-V461 HydrophobicContact CD1-CG2 4.05Å; F457-V461 WeakPolarHBondContact O-CG2 3.49Å; F457-V461 PolarHBondContact O-N 3.12Å; F458-V461 PolarHBondContact O-N 3.31Å; V461-L463 PolarHBondContact O-N 2.63Å; V461-V464 PolarHBondContact O-N 2.72Å; V461-F465 HydrophobicContact CG1-CD2 3.89Å; V461-F465 HydrophobicContact CG1-CE1 4.23Å; V461-F465 HydrophobicContact CG1-CE2 3.37Å; V461-F465 HydrophobicContact CG1-CZ 3.57Å; V461-F465 WeakPolarHBondContact O-CG 3.26Å; V461-F465 PolarHBondContact O-N 2.82Å; V461-L548 HydrophobicContact CG1-CD1 4.35Å; V461-L548 HydrophobicContact CG1-CD2 4.07Å; V461-L548 HydrophobicContact CG2-CD1 4.48Å; V461-L548 HydrophobicContact CG2-CD2 4.23Å; V461-W583 HydrophobicContact CG1-CH2 3.79Å; V461-W583 HydrophobicContact CG1-CZ2 3.67Å
462	H	97.1	Very high	96.9	Very high	11 Å²	11	27.3 Å²	27.3	5%	0.051	13%	0.129	C	C	.	.	H	α-helix	trans	-67.3	-34.8	-179.6	-171.5	41.2	0	0	0	113.2	F458 V460 F465 Q466 R582 W583 F587	F458-H462 WeakPolarHBondContact O-CB 3.15Å; F458-H462 PolarHBondContact O-N 3.18Å; V460-H462 PolarHBondContact O-N 3.01Å; H462-F465 PolarHBondContact O-N 3.09Å; H462-Q466 WeakPolarHBondContact O-CB 3.09Å; H462-Q466 WeakPolarHBondContact O-CG 3.49Å; H462-Q466 PolarHBondContact O-N 2.92Å; H462-R582 PolarHBondContact CD2-NH2 2.91Å; H462-R582 PolarHBondContact CE1-NE 2.91Å; H462-R582 PolarHBondContact NE2-NE 3.12Å; H462-R582 PolarHBondContact NE2-NH2 3.02Å; H462-W583 AromaticContact ND1-CD1 3.93Å; H462-W583 AromaticContact ND1-NE1 3.58Å; H462-F587 AromaticContact CE1-CD2 3.59Å; H462-F587 AromaticContact CE1-CG 3.9Å
463	L	97.7	Very high	97	Very high	4 Å²	4	29 Å²	29	2%	0.021	14%	0.139	C	C	.	.	H	α-helix	trans	-65	-41.8	173.6	-76	171	0	0	0	111.6	L415 L416 W421 Q459 V460 V461 F465 Q466 Y467 N590	L415-L463 HydrophobicContact CD2-CD1 4.07Å; L415-L463 HydrophobicContact CD2-CD2 3.51Å; L415-L463 HydrophobicContact CD2-CG 4.41Å; L415-L463 HydrophobicContact CG-CD1 4.47Å; L416-L463 HydrophobicContact CD2-CD1 3.61Å; W421-L463 HydrophobicContact CE3-CD1 4.13Å; W421-L463 HydrophobicContact CZ3-CD1 3.84Å; Q459-L463 VanDerWaalsContact O-CG 3.29Å; Q459-L463 WeakPolarHBondContact O-CG 3.39Å; Q459-L463 PolarHBondContact O-N 3.49Å; V460-L463 WeakPolarHBondContact O-CB 3.4Å; V460-L463 PolarHBondContact O-N 2.74Å; V460-L463 VanDerWaalsContact O-N 3.07Å; V461-L463 PolarHBondContact O-N 2.63Å; L463-F465 VanDerWaalsContact C-N 3.33Å; L463-F465 PolarHBondContact O-N 3.45Å; L463-Q466 PolarHBondContact O-N 2.52Å; L463-Y467 PolarHBondContact O-N 3.41Å; L463-N590 HydrophobicContact CD2-CB 4.42Å; L463-N590 WeakPolarHBondContact CD2-ND2 3.05Å
464	V	97.8	Very high	97	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-58.6	-46.3	173.3	177.1	0	0	0	0	110.6	I381 M404 I412 I445 V460 V461 Q466 Y467 L468	I381-V464 HydrophobicContact CD1-CB 4.1Å; I381-V464 HydrophobicContact CD1-CG1 4.12Å; I381-V464 HydrophobicContact CD1-CG2 4.07Å; M404-V464 HydrophobicContact CE-CG1 4.03Å; I412-V464 HydrophobicContact CD1-CG1 4.48Å; I412-V464 HydrophobicContact CD1-CG2 4.37Å; I412-V464 HydrophobicContact CG2-CG2 4.09Å; I445-V464 HydrophobicContact CD1-CG1 3.56Å; V460-V464 PolarHBondContact O-N 2.78Å; V460-V464 VanDerWaalsContact O-N 3.11Å; V461-V464 PolarHBondContact O-N 2.72Å; V464-Q466 PolarHBondContact O-N 2.69Å; V464-Y467 PolarHBondContact O-N 2.76Å; V464-L468 HydrophobicContact CG1-CD1 4.44Å; V464-L468 PolarHBondContact O-N 3.23Å
465	F	97.6	Very high	97	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.009	17%	0.167	C	C	.	.	H	α-helix	trans	-69.1	-30.2	177.6	-63.4	-14.9	0	0	0	113.7	I381 W383 V461 H462 L463 L468 K469 P543 A546 L548 W583 F587	I381-F465 HydrophobicContact CG2-CE1 3.92Å; I381-F465 HydrophobicContact CG2-CZ 4.32Å; W383-F465 HydrophobicContact CH2-CE1 4.1Å; W383-F465 HydrophobicContact CZ2-CD1 4.21Å; W383-F465 AromaticContact CZ2-CE1 3.64Å; W383-F465 HydrophobicContact CZ2-CE1 3.64Å; V461-F465 HydrophobicContact CG1-CD2 3.89Å; V461-F465 HydrophobicContact CG1-CE1 4.23Å; V461-F465 HydrophobicContact CG1-CE2 3.37Å; V461-F465 HydrophobicContact CG1-CZ 3.57Å; V461-F465 WeakPolarHBondContact O-CG 3.26Å; V461-F465 PolarHBondContact O-N 2.82Å; H462-F465 PolarHBondContact O-N 3.09Å; L463-F465 VanDerWaalsContact C-N 3.33Å; L463-F465 PolarHBondContact O-N 3.45Å; F465-L468 HydrophobicContact CD1-CD1 4.27Å; F465-K469 VanDerWaalsContact O-CB 3.26Å; F465-K469 WeakPolarHBondContact O-CB 3.37Å; F465-K469 PolarHBondContact O-N 2.88Å; F465-P543 HydrophobicContact CB-CG 4.12Å; F465-P543 HydrophobicContact CD1-CG 4.34Å; F465-P543 HydrophobicContact CD2-CB 3.62Å; F465-P543 HydrophobicContact CD2-CG 3.57Å; F465-P543 HydrophobicContact CE2-CB 3.51Å; F465-P543 HydrophobicContact CE2-CG 3.98Å; F465-P543 HydrophobicContact CG-CB 4.25Å; F465-P543 HydrophobicContact CG-CG 3.77Å; F465-P543 HydrophobicContact CZ-CB 4.07Å; F465-A546 HydrophobicContact CE1-CB 4.3Å; F465-A546 HydrophobicContact CZ-CB 3.94Å; F465-L548 HydrophobicContact CZ-CD2 4.43Å; F465-W583 AromaticContact CD2-CD2 3.88Å; F465-W583 HydrophobicContact CD2-CD2 3.88Å; F465-W583 AromaticContact CD2-CE2 3.58Å; F465-W583 HydrophobicContact CD2-CE3 4.44Å; F465-W583 HydrophobicContact CD2-CG 4.18Å; F465-W583 HydrophobicContact CD2-CH2 4.44Å; F465-W583 AromaticContact CD2-CZ2 3.91Å; F465-W583 HydrophobicContact CD2-CZ2 3.91Å; F465-W583 AromaticContact CD2-NE1 3.73Å; F465-W583 AromaticContact CE2-CD2 3.81Å; F465-W583 HydrophobicContact CE2-CD2 3.81Å; F465-W583 AromaticContact CE2-CE2 3.66Å; F465-W583 AromaticContact CE2-CE3 3.9Å; F465-W583 HydrophobicContact CE2-CE3 3.9Å; F465-W583 AromaticContact CE2-CH2 3.73Å; F465-W583 HydrophobicContact CE2-CH2 3.73Å; F465-W583 AromaticContact CE2-CZ2 3.64Å; F465-W583 HydrophobicContact CE2-CZ2 3.64Å; F465-W583 AromaticContact CE2-CZ3 3.86Å; F465-W583 HydrophobicContact CE2-CZ3 3.86Å; F465-F587 HydrophobicContact CB-CZ 4.26Å
466	Q	97.6	Very high	97.1	Very high	21 Å²	21	27.1 Å²	27.1	10%	0.098	14%	0.142	C	C	.	.	H	α-helix	trans	-65.4	-41.1	169.9	-77.1	177.6	-52.8	0	0	111.3	H462 L463 V464 K469 M470 F587 E588 L589 L593	H462-Q466 WeakPolarHBondContact O-CB 3.09Å; H462-Q466 WeakPolarHBondContact O-CG 3.49Å; H462-Q466 PolarHBondContact O-N 2.92Å; L463-Q466 PolarHBondContact O-N 2.52Å; V464-Q466 PolarHBondContact O-N 2.69Å; Q466-K469 PolarHBondContact O-N 2.9Å; Q466-M470 WeakPolarHBondContact O-CB 3.45Å; Q466-M470 PolarHBondContact O-N 2.98Å; Q466-F587 HydrophobicContact CG-CD2 4.03Å; Q466-F587 HydrophobicContact CG-CE2 3.95Å; Q466-E588 PolarHBondContact NE2-O 2.78Å; Q466-L589 VanDerWaalsContact O-CD2 3.31Å; Q466-L589 WeakPolarHBondContact O-CD2 3.49Å; Q466-L593 HydrophobicContact CB-CD1 4Å
467	Y	97.7	Very high	97.1	Very high	1 Å²	1	28.1 Å²	28.1	0%	0.004	15%	0.145	C	C	.	.	H	α-helix	trans	-67.8	-45.9	176.6	-165.4	-94	0	0	0	112.1	L403 M404 I412 L463 V464 K469 M470 L471 L593	L403-Y467 WeakPolarHBondContact O-CE1 3.39Å; L403-Y467 VanDerWaalsContact O-CZ 3.23Å; L403-Y467 PolarHBondContact O-OH 2.89Å; M404-Y467 HydrophobicContact CE-CD1 3.89Å; M404-Y467 HydrophobicContact SD-CD1 3.55Å; M404-Y467 VanDerWaalsContact SD-CD1 3.55Å; M404-Y467 HydrophobicContact SD-CE1 3.86Å; I412-Y467 HydrophobicContact CD1-CD1 3.8Å; I412-Y467 HydrophobicContact CD1-CE1 4.49Å; I412-Y467 HydrophobicContact CD1-CG 3.82Å; I412-Y467 HydrophobicContact CG1-CD1 3.98Å; I412-Y467 HydrophobicContact CG1-CD2 3.87Å; I412-Y467 HydrophobicContact CG1-CG 3.55Å; L463-Y467 PolarHBondContact O-N 3.41Å; V464-Y467 PolarHBondContact O-N 2.76Å; Y467-K469 VanDerWaalsContact C-N 3.31Å; Y467-K469 PolarHBondContact O-N 3.19Å; Y467-M470 HydrophobicContact CD2-CE 3.62Å; Y467-M470 HydrophobicContact CE2-CE 3.45Å; Y467-M470 VanDerWaalsContact CE2-CE 3.45Å; Y467-M470 HydrophobicContact CG-CE 4.25Å; Y467-M470 WeakPolarHBondContact O-CA 3.07Å; Y467-M470 VanDerWaalsContact O-CB 3.32Å; Y467-M470 WeakPolarHBondContact O-CB 3.19Å; Y467-M470 PolarHBondContact O-N 2.73Å; Y467-M470 VanDerWaalsContact O-N 3.08Å; Y467-L471 HydrophobicContact CD1-CD1 4.07Å; Y467-L471 HydrophobicContact CD1-CG 4.08Å; Y467-L471 HydrophobicContact CE1-CD1 3.83Å; Y467-L471 HydrophobicContact CE1-CD2 4.08Å; Y467-L471 HydrophobicContact CE1-CG 3.98Å; Y467-L471 WeakPolarHBondContact O-CG 3.17Å; Y467-L471 PolarHBondContact O-N 2.93Å; Y467-L593 HydrophobicContact CD2-CB 4.14Å; Y467-L593 HydrophobicContact CD2-CD1 4.38Å; Y467-L593 HydrophobicContact CD2-CD2 4.12Å; Y467-L593 HydrophobicContact CD2-CG 4.43Å
468	L	97	Very high	97.2	Very high	3 Å²	3	31.9 Å²	31.9	2%	0.016	16%	0.163	C	C	.	.	H	α-helix	trans	-55.9	-44.6	173.3	-80	170.8	0	0	0	112.4	W383 M404 V464 F465 M470 L471 Q472 L538 L541	W383-L468 HydrophobicContact CH2-CD1 3.47Å; W383-L468 VanDerWaalsContact CH2-CD1 3.47Å; W383-L468 HydrophobicContact CZ2-CD1 3.44Å; W383-L468 VanDerWaalsContact CZ2-CD1 3.44Å; W383-L468 HydrophobicContact CZ3-CD1 4.46Å; M404-L468 HydrophobicContact CE-CD1 4.37Å; M404-L468 HydrophobicContact CE-CD2 3.76Å; M404-L468 HydrophobicContact CE-CG 3.61Å; M404-L468 HydrophobicContact CG-CD2 4.49Å; M404-L468 HydrophobicContact SD-CD2 3.55Å; M404-L468 VanDerWaalsContact SD-CD2 3.55Å; M404-L468 HydrophobicContact SD-CG 4.02Å; V464-L468 HydrophobicContact CG1-CD1 4.44Å; V464-L468 PolarHBondContact O-N 3.23Å; F465-L468 HydrophobicContact CD1-CD1 4.27Å; L468-M470 VanDerWaalsContact C-N 3.33Å; L468-M470 PolarHBondContact O-N 2.77Å; L468-L471 PolarHBondContact O-N 3.39Å; L468-Q472 WeakPolarHBondContact O-CB 3.48Å; L468-Q472 VanDerWaalsContact O-CG 3.3Å; L468-Q472 WeakPolarHBondContact O-CG 3.31Å; L468-Q472 PolarHBondContact O-N 3.35Å; L468-L538 HydrophobicContact CD2-CD1 4.11Å; L468-L541 HydrophobicContact CD1-CB 4.18Å; L468-L541 HydrophobicContact CD2-CB 3.9Å; L468-L541 HydrophobicContact CD2-CD1 3.85Å
469	K	96.3	Very high	97.2	Very high	22 Å²	22	35 Å²	35	10%	0.096	18%	0.175	C	C	.	.	H	α-helix	trans	-64.8	-36.6	176.6	-175	177.5	177.8	178.5	0	112.5	F465 Q466 Y467 Q472 N473 D586 F587 L589	F465-K469 VanDerWaalsContact O-CB 3.26Å; F465-K469 WeakPolarHBondContact O-CB 3.37Å; F465-K469 PolarHBondContact O-N 2.88Å; Q466-K469 PolarHBondContact O-N 2.9Å; Y467-K469 VanDerWaalsContact C-N 3.31Å; Y467-K469 PolarHBondContact O-N 3.19Å; K469-Q472 PolarHBondContact O-N 3.25Å; K469-N473 WeakPolarHBondContact O-CB 3.25Å; K469-N473 VanDerWaalsContact O-CG 3.23Å; K469-N473 PolarHBondContact O-N 3.43Å; K469-D586 WeakPolarHBondContact CE-OD1 3.3Å; K469-D586 VanDerWaalsContact NZ-C 3.31Å; K469-D586 IonicContact NZ-OD1 3.25Å; K469-D586 PolarHBondContact NZ-OD1 2.98Å; K469-F587 HydrophobicContact CB-CE2 4.14Å; K469-F587 HydrophobicContact CB-CZ 4.19Å; K469-F587 HydrophobicContact CD-CD2 3.92Å; K469-F587 HydrophobicContact CD-CE1 4.18Å; K469-F587 HydrophobicContact CD-CE2 3.49Å; K469-F587 VanDerWaalsContact CD-CE2 3.49Å; K469-F587 HydrophobicContact CD-CG 4.46Å; K469-F587 HydrophobicContact CD-CZ 3.64Å; K469-F587 HydrophobicContact CG-CE2 4.47Å; K469-F587 VanDerWaalsContact NZ-N 3.12Å; K469-F587 PolarHBondContact NZ-O 2.68Å; K469-L589 HydrophobicContact CB-CD2 3.96Å; K469-L589 HydrophobicContact CD-CD2 3.99Å; K469-L589 HydrophobicContact CG-CD2 3.95Å
470	M	97.2	Very high	97.3	Very high	16 Å²	16	31.5 Å²	31.5	8%	0.079	16%	0.158	C	C	.	.	H	α-helix	trans	-61.3	-47.9	171.5	-179.3	-165.2	72.9	0	0	110.9	Q466 Y467 L468 Q472 N473 L474 L589 L593	Q466-M470 WeakPolarHBondContact O-CB 3.45Å; Q466-M470 PolarHBondContact O-N 2.98Å; Y467-M470 HydrophobicContact CD2-CE 3.62Å; Y467-M470 HydrophobicContact CE2-CE 3.45Å; Y467-M470 VanDerWaalsContact CE2-CE 3.45Å; Y467-M470 HydrophobicContact CG-CE 4.25Å; Y467-M470 WeakPolarHBondContact O-CA 3.07Å; Y467-M470 VanDerWaalsContact O-CB 3.32Å; Y467-M470 WeakPolarHBondContact O-CB 3.19Å; Y467-M470 PolarHBondContact O-N 2.73Å; Y467-M470 VanDerWaalsContact O-N 3.08Å; L468-M470 VanDerWaalsContact C-N 3.33Å; L468-M470 PolarHBondContact O-N 2.77Å; M470-Q472 PolarHBondContact O-N 3.45Å; M470-N473 PolarHBondContact O-N 3.34Å; M470-L474 HydrophobicContact CG-CD1 3.81Å; M470-L474 HydrophobicContact CG-CG 4.43Å; M470-L474 WeakPolarHBondContact O-CG 3.22Å; M470-L474 PolarHBondContact O-N 3.27Å; M470-L474 HydrophobicContact SD-CD1 4.4Å; M470-L589 HydrophobicContact CB-CD1 4.14Å; M470-L589 HydrophobicContact CB-CD2 4.4Å; M470-L589 HydrophobicContact CG-CD1 4.49Å; M470-L593 HydrophobicContact SD-CB 4.33Å; M470-L593 VanDerWaalsContact SD-O 3.36Å
471	L	97.1	Very high	97.3	Very high	7 Å²	7	31.5 Å²	31.5	4%	0.037	16%	0.158	C	C	.	.	H	α-helix	trans	-60.5	-43.2	176.4	-63.3	-171.7	0	0	0	111.9	L403 M404 Y467 L468 N473 L474 G475 L538 L595	L403-L471 HydrophobicContact CB-CD1 3.99Å; L403-L471 HydrophobicContact CB-CD2 4.49Å; L403-L471 HydrophobicContact CD1-CD1 4.33Å; L403-L471 HydrophobicContact CD1-CD2 4.07Å; M404-L471 HydrophobicContact SD-CD1 3.63Å; Y467-L471 HydrophobicContact CD1-CD1 4.07Å; Y467-L471 HydrophobicContact CD1-CG 4.08Å; Y467-L471 HydrophobicContact CE1-CD1 3.83Å; Y467-L471 HydrophobicContact CE1-CD2 4.08Å; Y467-L471 HydrophobicContact CE1-CG 3.98Å; Y467-L471 WeakPolarHBondContact O-CG 3.17Å; Y467-L471 PolarHBondContact O-N 2.93Å; L468-L471 PolarHBondContact O-N 3.39Å; L471-N473 VanDerWaalsContact C-N 3.33Å; L471-N473 PolarHBondContact O-N 3.5Å; L471-L474 PolarHBondContact O-N 2.89Å; L471-G475 WeakPolarHBondContact O-CA 2.91Å; L471-G475 PolarHBondContact O-N 3.11Å; L471-L538 HydrophobicContact CB-CD1 4.17Å; L471-L538 HydrophobicContact CB-CD2 3.98Å; L471-L538 HydrophobicContact CD1-CD1 4.48Å; L471-L595 HydrophobicContact CD2-CD2 3.61Å
472	Q	96.2	Very high	97.3	Very high	68 Å²	68	34.9 Å²	34.9	32%	0.318	17%	0.174	S	C	.	.	H	α-helix	trans	-62.3	-37.4	176.5	-73.7	164.9	-6.7	0	0	112.4	L468 K469 M470 L538 L541	L468-Q472 WeakPolarHBondContact O-CB 3.48Å; L468-Q472 VanDerWaalsContact O-CG 3.3Å; L468-Q472 WeakPolarHBondContact O-CG 3.31Å; L468-Q472 PolarHBondContact O-N 3.35Å; K469-Q472 PolarHBondContact O-N 3.25Å; M470-Q472 PolarHBondContact O-N 3.45Å; Q472-L538 HydrophobicContact CG-CD1 4.26Å; Q472-L538 HydrophobicContact CG-CD2 4.34Å; Q472-L538 HydrophobicContact CG-CG 3.84Å; Q472-L538 PolarHBondContact NE2-O 3.33Å; Q472-L541 PolarHBondContact NE2-O 2.86Å
473	N	95.9	Very high	97.2	Very high	111 Å²	111	35.5 Å²	35.5	59%	0.594	18%	0.177	S	C	*	.	H	α-helix	trans	-73.6	-34.4	177.2	-76.5	-13.2	0	0	0	113.5	K469 M470 L471	K469-N473 WeakPolarHBondContact O-CB 3.25Å; K469-N473 VanDerWaalsContact O-CG 3.23Å; K469-N473 PolarHBondContact O-N 3.43Å; M470-N473 PolarHBondContact O-N 3.34Å; L471-N473 VanDerWaalsContact C-N 3.33Å; L471-N473 PolarHBondContact O-N 3.5Å
474	L	96.8	Very high	97.2	Very high	90 Å²	90	35.3 Å²	35.3	47%	0.471	18%	0.176	S	C	.	.	H	α-helix	trans	-82.7	-29.8	179.1	-67.2	173.6	0	0	0	112.5	M470 L471 Q477 L595	M470-L474 HydrophobicContact CG-CD1 3.81Å; M470-L474 HydrophobicContact CG-CG 4.43Å; M470-L474 WeakPolarHBondContact O-CG 3.22Å; M470-L474 PolarHBondContact O-N 3.27Å; M470-L474 HydrophobicContact SD-CD1 4.4Å; L471-L474 PolarHBondContact O-N 2.89Å; L474-Q477 PolarHBondContact O-NE2 3.08Å; L474-Q477 VanDerWaalsContact O-NE2 3.08Å; L474-L595 HydrophobicContact CD1-CD1 3.75Å; L474-L595 HydrophobicContact CD1-CG 3.84Å
475	G	96.8	Very high	97.1	Very high	25 Å²	25	37.4 Å²	37.4	26%	0.258	19%	0.186	S	C	.	.			trans	73.1	174.2	-172.2	0	0	0	0	0	113.5	L471 Q477	L471-G475 WeakPolarHBondContact O-CA 2.91Å; L471-G475 PolarHBondContact O-N 3.11Å; G475-Q477 PolarHBondContact O-NE2 2.96Å
476	P	97.8	Very high	97.1	Very high	22 Å²	22	41.6 Å²	41.6	14%	0.143	20%	0.204	C	C	.	.			trans	-58.9	146.8	175.3	-24	36.2	0	0	0	112.3	Y399 Y529 P531 I534	Y399-P476 HydrophobicContact CE1-CB 4.45Å; P476-Y529 HydrophobicContact CB-CE2 4.1Å; P476-Y529 PolarHBondContact O-OH 3.03Å; P476-P531 HydrophobicContact CB-CB 4.16Å; P476-P531 HydrophobicContact CG-CB 4.24Å; P476-I534 HydrophobicContact CB-CB 4.12Å; P476-I534 HydrophobicContact CB-CD1 4.34Å; P476-I534 HydrophobicContact CB-CG2 3.93Å; P476-I534 HydrophobicContact CG-CB 3.78Å; P476-I534 HydrophobicContact CG-CG2 3.66Å
477	Q	98	Very high	97	Very high	62 Å²	62	41 Å²	41	29%	0.29	20%	0.201	S	C	.	.			trans	-120	112.5	-172.8	-59.1	-60.5	-49.6	0	0	110.6	Y399 L474 G475 R479 I480 Y481 L595	Y399-Q477 PolarHBondContact OH-N 2.92Å; L474-Q477 PolarHBondContact O-NE2 3.08Å; L474-Q477 VanDerWaalsContact O-NE2 3.08Å; G475-Q477 PolarHBondContact O-NE2 2.96Å; Q477-R479 VanDerWaalsContact C-N 3.29Å; Q477-R479 PolarHBondContact O-N 2.66Å; Q477-I480 HydrophobicContact CB-CB 4.36Å; Q477-I480 HydrophobicContact CB-CD1 4.11Å; Q477-I480 HydrophobicContact CB-CG1 4.1Å; Q477-I480 HydrophobicContact CG-CD1 4.42Å; Q477-I480 PolarHBondContact O-N 2.92Å; Q477-I480 VanDerWaalsContact O-N 3.12Å; Q477-Y481 PolarHBondContact O-N 3Å; Q477-L595 HydrophobicContact CG-CD1 3.75Å
478	Q	97.9	Very high	96.8	Very high	104 Å²	104	41.9 Å²	41.9	49%	0.486	21%	0.205	S	C	.	.	H	α-helix	trans	-56.9	-39.7	-178.5	-174.6	176.5	-15.7	0	0	112.8	I480 Y481 E482 Y529	Q478-I480 VanDerWaalsContact C-N 3.32Å; Q478-I480 PolarHBondContact O-N 2.81Å; Q478-Y481 PolarHBondContact O-N 3.03Å; Q478-E482 HydrophobicContact CG-CG 4.24Å; Q478-E482 WeakPolarHBondContact CG-OE1 3.44Å; Q478-E482 PolarHBondContact NE2-OE1 2.64Å; Q478-E482 WeakPolarHBondContact O-CB 3.29Å; Q478-E482 WeakPolarHBondContact O-CG 3.22Å; Q478-E482 PolarHBondContact O-N 3.05Å; Q478-Y529 HydrophobicContact CB-CD1 4Å; Q478-Y529 HydrophobicContact CB-CE1 3.66Å; Q478-Y529 HydrophobicContact CB-CE2 4.44Å; Q478-Y529 HydrophobicContact CG-CD1 3.88Å; Q478-Y529 HydrophobicContact CG-CE1 4.07Å; Q478-Y529 HydrophobicContact CG-CG 4.3Å; Q478-Y529 PolarHBondContact N-OH 2.7Å
479	R	96.9	Very high	96.7	Very high	90 Å²	90	45.1 Å²	45.1	34%	0.34	22%	0.223	S	C	.	.	H	α-helix	trans	-53.7	-48.7	176.6	178.5	-167.5	65.3	96.7	-8.9	111.7	Q477 E482 E483 P596 A597	Q477-R479 VanDerWaalsContact C-N 3.29Å; Q477-R479 PolarHBondContact O-N 2.66Å; R479-E482 CarbonylContact O-C 3.57Å; R479-E482 PolarHBondContact O-N 3.05Å; R479-E483 WeakPolarHBondContact CD-OE1 3.31Å; R479-E483 WeakPolarHBondContact CG-OE1 3.48Å; R479-E483 IonicContact CZ-OE1 3.27Å; R479-E483 IonicContact CZ-OE2 3.05Å; R479-E483 IonicContact NE-OE1 3.12Å; R479-E483 IonicContact NH1-OE1 3.85Å; R479-E483 PolarHBondContact NH1-OE1 2.83Å; R479-E483 IonicContact NH1-OE2 2.63Å; R479-E483 PolarHBondContact NH1-OE2 3.25Å; R479-E483 WeakPolarHBondContact O-CG 3.48Å; R479-E483 PolarHBondContact O-N 3.5Å; R479-P596 PolarHBondContact NH2-O 2.99Å; R479-A597 PolarHBondContact NH1-O 3.29Å; R479-A597 PolarHBondContact NH2-O 2.56Å
480	I	97.4	Very high	96.6	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.01	23%	0.225	C	C	.	.	H	α-helix	trans	-70.2	-41.8	-174.3	-58.9	-178	0	0	0	109.4	Y399 L403 Q477 Q478 E482 E483 I484 L595 P596	Y399-I480 HydrophobicContact CE2-CB 4.23Å; Y399-I480 HydrophobicContact CE2-CG2 4.2Å; L403-I480 HydrophobicContact CD2-CD1 3.87Å; L403-I480 HydrophobicContact CD2-CG2 4.24Å; Q477-I480 HydrophobicContact CB-CB 4.36Å; Q477-I480 HydrophobicContact CB-CD1 4.11Å; Q477-I480 HydrophobicContact CB-CG1 4.1Å; Q477-I480 HydrophobicContact CG-CD1 4.42Å; Q477-I480 PolarHBondContact O-N 2.92Å; Q477-I480 VanDerWaalsContact O-N 3.12Å; Q478-I480 VanDerWaalsContact C-N 3.32Å; Q478-I480 PolarHBondContact O-N 2.81Å; I480-E482 VanDerWaalsContact C-N 3.32Å; I480-E482 PolarHBondContact O-N 3.28Å; I480-E483 PolarHBondContact O-N 2.93Å; I480-I484 HydrophobicContact CG2-CD1 4.14Å; I480-I484 WeakPolarHBondContact O-CG1 3.36Å; I480-I484 PolarHBondContact O-N 3.35Å; I480-L595 HydrophobicContact CD1-CD2 4.21Å; I480-P596 HydrophobicContact CD1-CG 4.24Å
481	Y	98.1	Very high	96.3	Very high	1 Å²	1	47 Å²	47	0%	0.004	23%	0.232	C	C	.	.	H	α-helix	trans	-56.1	-46.4	171.6	-172.7	-79.4	0	0	0	112	V394 Y399 Q477 Q478 E483 I484 Q485 M526 H528 Y529 I534	V394-Y481 HydrophobicContact CG1-CE2 4.49Å; V394-Y481 WeakPolarHBondContact O-CE2 3.13Å; Y399-Y481 HydrophobicContact CD2-CD2 4.12Å; Q477-Y481 PolarHBondContact O-N 3Å; Q478-Y481 PolarHBondContact O-N 3.03Å; Y481-E483 VanDerWaalsContact C-N 3.27Å; Y481-E483 PolarHBondContact O-N 3.03Å; Y481-I484 PolarHBondContact O-N 3.49Å; Y481-Q485 HydrophobicContact CE1-CB 4.44Å; Y481-Q485 VanDerWaalsContact O-CB 3.22Å; Y481-Q485 WeakPolarHBondContact O-CB 3.33Å; Y481-Q485 PolarHBondContact O-N 3.27Å; Y481-M526 HydrophobicContact CD2-CE 3.78Å; Y481-M526 HydrophobicContact CD2-SD 4.35Å; Y481-M526 HydrophobicContact CE1-CB 4.23Å; Y481-M526 HydrophobicContact CE2-CE 3.39Å; Y481-M526 HydrophobicContact CE2-SD 4.08Å; Y481-H528 VanDerWaalsContact CZ-C 3.44Å; Y481-H528 PolarHBondContact OH-N 3.13Å; Y481-H528 PolarHBondContact OH-O 2.93Å; Y481-Y529 HydrophobicContact CD1-CD2 4.2Å; Y481-Y529 HydrophobicContact CD1-CG 4.39Å; Y481-Y529 AromaticContact CD2-CD2 3.71Å; Y481-Y529 HydrophobicContact CD2-CD2 3.71Å; Y481-Y529 HydrophobicContact CE2-CD2 4.45Å; Y481-Y529 AromaticContact CG-CD2 3.57Å; Y481-Y529 HydrophobicContact CG-CD2 3.57Å; Y481-Y529 HydrophobicContact CG-CG 4.2Å; Y481-I534 HydrophobicContact CD2-CD1 4.01Å; Y481-I534 HydrophobicContact CE2-CD1 4.35Å
482	E	97.6	Very high	96.1	Very high	70 Å²	70	47.6 Å²	47.6	33%	0.327	24%	0.235	S	C	.	.	H	α-helix	trans	-71.2	-16.2	177.4	-71.7	-179.1	-166.6	0	0	113.8	Q478 R479 I480 K486	Q478-E482 HydrophobicContact CG-CG 4.24Å; Q478-E482 WeakPolarHBondContact CG-OE1 3.44Å; Q478-E482 PolarHBondContact NE2-OE1 2.64Å; Q478-E482 WeakPolarHBondContact O-CB 3.29Å; Q478-E482 WeakPolarHBondContact O-CG 3.22Å; Q478-E482 PolarHBondContact O-N 3.05Å; R479-E482 CarbonylContact O-C 3.57Å; R479-E482 PolarHBondContact O-N 3.05Å; I480-E482 VanDerWaalsContact C-N 3.32Å; I480-E482 PolarHBondContact O-N 3.28Å; E482-K486 VanDerWaalsContact O-CD 3.31Å; E482-K486 WeakPolarHBondContact O-CD 3.36Å; E482-K486 WeakPolarHBondContact O-CE 3.35Å; E482-K486 WeakPolarHBondContact O-CG 3.46Å; E482-K486 PolarHBondContact O-N 3.41Å; E482-K486 PolarHBondContact O-NZ 3.2Å; E482-K486 IonicContact OE2-NZ 2.8Å
483	E	97	Very high	95.9	Very high	24 Å²	24	50.4 Å²	50.4	11%	0.112	24%	0.242	C	C	.	.	H	α-helix	trans	-80	-50	171.7	-79.9	169.4	-154.2	0	0	109.8	R479 I480 Y481 Q485 K486 I487 I602	R479-E483 WeakPolarHBondContact CD-OE1 3.31Å; R479-E483 WeakPolarHBondContact CG-OE1 3.48Å; R479-E483 IonicContact CZ-OE1 3.27Å; R479-E483 IonicContact CZ-OE2 3.05Å; R479-E483 IonicContact NE-OE1 3.12Å; R479-E483 IonicContact NH1-OE1 3.85Å; R479-E483 PolarHBondContact NH1-OE1 2.83Å; R479-E483 IonicContact NH1-OE2 2.63Å; R479-E483 PolarHBondContact NH1-OE2 3.25Å; R479-E483 WeakPolarHBondContact O-CG 3.48Å; R479-E483 PolarHBondContact O-N 3.5Å; I480-E483 PolarHBondContact O-N 2.93Å; Y481-E483 VanDerWaalsContact C-N 3.27Å; Y481-E483 PolarHBondContact O-N 3.03Å; E483-Q485 PolarHBondContact O-N 2.78Å; E483-K486 PolarHBondContact O-N 3.1Å; E483-K486 VanDerWaalsContact O-N 3.16Å; E483-I487 WeakPolarHBondContact O-CD1 3.24Å; E483-I487 WeakPolarHBondContact O-CG1 3.34Å; E483-I487 PolarHBondContact O-N 3.15Å; E483-I602 HydrophobicContact CB-CD1 4.09Å; E483-I602 HydrophobicContact CG-CD1 3.97Å
484	I	96.6	Very high	95.6	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-56.7	-51.4	174.2	-56.6	164.8	0	0	0	110.2	H398 Y399 W402 I480 Y481 K486 I487 E488 M526	H398-I484 WeakPolarHBondContact NE2-CG2 3.33Å; Y399-I484 HydrophobicContact CD2-CD1 4.11Å; W402-I484 HydrophobicContact CB-CD1 3.81Å; W402-I484 HydrophobicContact CD2-CD1 3.81Å; W402-I484 HydrophobicContact CD2-CG1 3.57Å; W402-I484 HydrophobicContact CE3-CD1 4.34Å; W402-I484 HydrophobicContact CE3-CG1 3.97Å; W402-I484 HydrophobicContact CE3-CG2 4.11Å; W402-I484 HydrophobicContact CG-CD1 3.52Å; W402-I484 HydrophobicContact CG-CG1 3.82Å; W402-I484 HydrophobicContact CH2-CG1 4.45Å; W402-I484 HydrophobicContact CZ2-CG1 4.1Å; W402-I484 HydrophobicContact CZ3-CG1 4.4Å; W402-I484 HydrophobicContact CZ3-CG2 4.19Å; I480-I484 HydrophobicContact CG2-CD1 4.14Å; I480-I484 WeakPolarHBondContact O-CG1 3.36Å; I480-I484 PolarHBondContact O-N 3.35Å; Y481-I484 PolarHBondContact O-N 3.49Å; I484-K486 VanDerWaalsContact C-N 3.25Å; I484-K486 PolarHBondContact O-N 3.37Å; I484-I487 WeakPolarHBondContact O-CA 3.24Å; I484-I487 WeakPolarHBondContact O-CB 3.37Å; I484-I487 PolarHBondContact O-N 2.96Å; I484-E488 HydrophobicContact CG2-CG 4.34Å; I484-E488 PolarHBondContact O-N 2.93Å; I484-M526 HydrophobicContact CB-SD 3.79Å; I484-M526 HydrophobicContact CG2-SD 3.44Å; I484-M526 WeakPolarHBondContact CG2-SD 3.42Å
485	Q	96.8	Very high	95	Very high	45 Å²	45	46.2 Å²	46.2	21%	0.21	22%	0.216	C	C	.	.	H	α-helix	trans	-52.9	-41	177.1	177.2	176.7	59.5	0	0	112.7	Y481 E483 I487 D489 M526	Y481-Q485 HydrophobicContact CE1-CB 4.44Å; Y481-Q485 VanDerWaalsContact O-CB 3.22Å; Y481-Q485 WeakPolarHBondContact O-CB 3.33Å; Y481-Q485 PolarHBondContact O-N 3.27Å; E483-Q485 PolarHBondContact O-N 2.78Å; Q485-I487 VanDerWaalsContact C-N 3.35Å; Q485-D489 WeakPolarHBondContact O-CB 3.39Å; Q485-D489 PolarHBondContact O-N 3.17Å; Q485-M526 HydrophobicContact CB-CB 4.09Å; Q485-M526 HydrophobicContact CG-CB 4.31Å; Q485-M526 PolarHBondContact NE2-O 3.15Å
486	K	95.8	Very high	94.2	Very high	90 Å²	90	46.7 Å²	46.7	39%	0.391	21%	0.211	S	C	.	.	H	α-helix	trans	-71	-30.3	177.4	-73.9	173.7	-160.3	104.5	0	112.6	E482 E483 I484 N490	E482-K486 VanDerWaalsContact O-CD 3.31Å; E482-K486 WeakPolarHBondContact O-CD 3.36Å; E482-K486 WeakPolarHBondContact O-CE 3.35Å; E482-K486 WeakPolarHBondContact O-CG 3.46Å; E482-K486 PolarHBondContact O-N 3.41Å; E482-K486 PolarHBondContact O-NZ 3.2Å; E482-K486 IonicContact OE2-NZ 2.8Å; E483-K486 PolarHBondContact O-N 3.1Å; E483-K486 VanDerWaalsContact O-N 3.16Å; I484-K486 VanDerWaalsContact C-N 3.25Å; I484-K486 PolarHBondContact O-N 3.37Å; K486-N490 VanDerWaalsContact O-CB 3.26Å; K486-N490 WeakPolarHBondContact O-CB 3.36Å; K486-N490 PolarHBondContact O-N 2.99Å; K486-N490 VanDerWaalsContact O-N 3.13Å; K486-N490 PolarHBondContact O-ND2 3.2Å
487	I	95.6	Very high	93.3	Very high	7 Å²	7	48.6 Å²	48.6	4%	0.036	22%	0.218	C	C	.	.	H	α-helix	trans	-68.6	-53.2	177.3	-70.4	155.4	0	0	0	108.5	W402 E483 I484 Q485 D489 N490 E491 I602 V684 Q686	W402-I487 HydrophobicContact CH2-CD1 3.78Å; W402-I487 HydrophobicContact CH2-CG2 4.43Å; W402-I487 HydrophobicContact CZ2-CD1 3.81Å; E483-I487 WeakPolarHBondContact O-CD1 3.24Å; E483-I487 WeakPolarHBondContact O-CG1 3.34Å; E483-I487 PolarHBondContact O-N 3.15Å; I484-I487 WeakPolarHBondContact O-CA 3.24Å; I484-I487 WeakPolarHBondContact O-CB 3.37Å; I484-I487 PolarHBondContact O-N 2.96Å; Q485-I487 VanDerWaalsContact C-N 3.35Å; I487-D489 PolarHBondContact O-N 2.99Å; I487-N490 PolarHBondContact O-N 3.49Å; I487-E491 PolarHBondContact O-N 2.95Å; I487-I602 HydrophobicContact CD1-CD1 4.09Å; I487-I602 HydrophobicContact CD1-CG1 4.2Å; I487-I602 HydrophobicContact CG1-CD1 4.3Å; I487-I602 HydrophobicContact CG1-CG1 4.2Å; I487-V684 WeakPolarHBondContact CD1-O 3.19Å; I487-V684 WeakPolarHBondContact CG2-O 3.47Å; I487-Q686 HydrophobicContact CG2-CG 3.92Å
488	E	94.8	Very high	92.5	Very high	21 Å²	21	48.2 Å²	48.2	10%	0.098	22%	0.22	C	C	.	.	H	α-helix	trans	-58.6	-47.3	175.1	-60.7	-52.7	145.4	0	0	112.8	I484 N490 E491 F492 Q524 L525	I484-E488 HydrophobicContact CG2-CG 4.34Å; I484-E488 PolarHBondContact O-N 2.93Å; E488-N490 VanDerWaalsContact C-N 3.26Å; E488-N490 PolarHBondContact O-N 3.35Å; E488-E491 PolarHBondContact O-N 2.66Å; E488-F492 WeakPolarHBondContact O-CB 3.44Å; E488-F492 PolarHBondContact O-N 3.11Å; E488-Q524 HydrophobicContact CB-CG 4.43Å; E488-Q524 WeakPolarHBondContact OE2-CG 3.38Å; E488-Q524 PolarHBondContact OE2-NE2 3.32Å; E488-L525 HydrophobicContact CB-CD2 4.4Å
489	D	94.5	Very high	91.8	Very high	71 Å²	71	44.8 Å²	44.8	38%	0.38	21%	0.205	S	C	.	.	H	α-helix	trans	-59.2	-36.6	177.4	-82	-15.7	0	0	0	112.2	Q485 I487 R493	Q485-D489 WeakPolarHBondContact O-CB 3.39Å; Q485-D489 PolarHBondContact O-N 3.17Å; I487-D489 PolarHBondContact O-N 2.99Å; D489-R493 WeakPolarHBondContact O-CB 3.44Å; D489-R493 PolarHBondContact O-N 3.32Å
490	N	93.5	Very high	91.5	Very high	27 Å²	27	41.2 Å²	41.2	14%	0.144	19%	0.194	C	C	.	.	H	α-helix	trans	-74.5	-41.2	178	-77.9	-36.5	0	0	0	111.3	K486 I487 E488 Y494 F606 F705	K486-N490 VanDerWaalsContact O-CB 3.26Å; K486-N490 WeakPolarHBondContact O-CB 3.36Å; K486-N490 PolarHBondContact O-N 2.99Å; K486-N490 VanDerWaalsContact O-N 3.13Å; K486-N490 PolarHBondContact O-ND2 3.2Å; I487-N490 PolarHBondContact O-N 3.49Å; E488-N490 VanDerWaalsContact C-N 3.26Å; E488-N490 PolarHBondContact O-N 3.35Å; N490-Y494 WeakPolarHBondContact O-CD2 3.31Å; N490-Y494 PolarHBondContact O-N 2.91Å; N490-Y494 VanDerWaalsContact O-N 3.14Å; N490-F606 HydrophobicContact CB-CZ 4.26Å; N490-F606 VanDerWaalsContact OD1-CZ 3.24Å; N490-F606 WeakPolarHBondContact OD1-CZ 3.4Å; N490-F705 HydrophobicContact CB-CE2 4.32Å; N490-F705 HydrophobicContact CB-CZ 4.19Å
491	E	91.8	Very high	91.2	Very high	49 Å²	49	41.4 Å²	41.4	23%	0.229	20%	0.195	C	C	.	.	H	α-helix	trans	-62.9	-58.4	177.3	-178.2	171.9	-166.4	0	0	110.7	I487 E488 R493 Y494 Q495 Q524 Q686	I487-E491 PolarHBondContact O-N 2.95Å; E488-E491 PolarHBondContact O-N 2.66Å; E491-R493 PolarHBondContact O-N 2.82Å; E491-R493 VanDerWaalsContact O-N 3.14Å; E491-Y494 CarbonylContact O-C 3.55Å; E491-Y494 PolarHBondContact O-N 2.82Å; E491-Q495 WeakPolarHBondContact O-CA 3.39Å; E491-Q495 PolarHBondContact O-N 3Å; E491-Q524 PolarHBondContact OE2-NE2 2.85Å; E491-Q686 HydrophobicContact CB-CG 4.45Å; E491-Q686 PolarHBondContact OE2-NE2 3.1Å
492	F	92.3	Very high	90.8	Very high	21 Å²	21	45.5 Å²	45.5	9%	0.092	21%	0.214	C	C	.	.	H	α-helix	trans	-51.1	-41.4	177	179.5	-109.6	0	0	0	112.4	S55 E488 Y494 L520 T521 L525	S55-F492 VanDerWaalsContact CB-O 3.23Å; S55-F492 WeakPolarHBondContact CB-O 3.07Å; S55-F492 VanDerWaalsContact N-CZ 3.27Å; S55-F492 PolarHBondContact OG-O 3.31Å; E488-F492 WeakPolarHBondContact O-CB 3.44Å; E488-F492 PolarHBondContact O-N 3.11Å; F492-Y494 VanDerWaalsContact C-N 3.35Å; F492-Y494 PolarHBondContact O-N 2.92Å; F492-L520 WeakPolarHBondContact CE2-O 3.47Å; F492-T521 HydrophobicContact CE1-CG2 3.9Å; F492-T521 HydrophobicContact CE2-CG2 3.93Å; F492-T521 HydrophobicContact CZ-CG2 3.43Å; F492-T521 VanDerWaalsContact CZ-CG2 3.43Å; F492-L525 HydrophobicContact CB-CD2 3.74Å; F492-L525 HydrophobicContact CD1-CD1 4.02Å; F492-L525 HydrophobicContact CD1-CD2 4.17Å; F492-L525 HydrophobicContact CD1-CG 4.48Å; F492-L525 HydrophobicContact CE1-CD1 4.19Å; F492-L525 HydrophobicContact CG-CD1 4.46Å; F492-L525 HydrophobicContact CG-CD2 3.96Å; F492-L525 HydrophobicContact CG-CG 4.44Å
493	R	91.7	Very high	90.6	Very high	126 Å²	126	43.5 Å²	43.5	48%	0.475	20%	0.204	S	C	.	.	H	α-helix	trans	-68	-30.3	179.4	-179.1	172.9	-175.6	159.9	4.7	114	S55 P56 S57 D489 E491	S55-R493 WeakPolarHBondContact OG-CA 3.41Å; S55-R493 PolarHBondContact OG-O 2.87Å; P56-R493 HydrophobicContact CG-CG 4.33Å; S57-R493 WeakPolarHBondContact CB-O 3.07Å; S57-R493 PolarHBondContact OG-O 2.85Å; D489-R493 WeakPolarHBondContact O-CB 3.44Å; D489-R493 PolarHBondContact O-N 3.32Å; E491-R493 PolarHBondContact O-N 2.82Å; E491-R493 VanDerWaalsContact O-N 3.14Å
494	Y	89.2	Confident	90.6	Very high	34 Å²	34	42.3 Å²	42.3	13%	0.133	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122	32.6	-179.7	-54.3	-66.6	0	0	0	111.5	N490 E491 F492 F606 P641 K642 F705	N490-Y494 WeakPolarHBondContact O-CD2 3.31Å; N490-Y494 PolarHBondContact O-N 2.91Å; N490-Y494 VanDerWaalsContact O-N 3.14Å; E491-Y494 CarbonylContact O-C 3.55Å; E491-Y494 PolarHBondContact O-N 2.82Å; F492-Y494 VanDerWaalsContact C-N 3.35Å; F492-Y494 PolarHBondContact O-N 2.92Å; Y494-F606 AromaticContact CD2-CD1 3.88Å; Y494-F606 HydrophobicContact CD2-CD1 3.88Å; Y494-F606 HydrophobicContact CD2-CE1 4.02Å; Y494-F606 HydrophobicContact CD2-CG 4.48Å; Y494-F606 HydrophobicContact CE2-CB 4.11Å; Y494-F606 AromaticContact CE2-CD1 3.36Å; Y494-F606 HydrophobicContact CE2-CD1 3.36Å; Y494-F606 HydrophobicContact CE2-CD2 4.02Å; Y494-F606 AromaticContact CE2-CE1 3.68Å; Y494-F606 HydrophobicContact CE2-CE1 3.68Å; Y494-F606 HydrophobicContact CE2-CE2 4.29Å; Y494-F606 AromaticContact CE2-CG 3.55Å; Y494-F606 HydrophobicContact CE2-CG 3.55Å; Y494-F606 HydrophobicContact CE2-CZ 4.13Å; Y494-F606 AromaticContact CZ-CD1 3.97Å; Y494-F606 AromaticContact CZ-CG 3.76Å; Y494-F606 WeakPolarHBondContact OH-CB 3.49Å; Y494-P641 HydrophobicContact CD1-CG 3.66Å; Y494-P641 HydrophobicContact CD2-CG 3.98Å; Y494-P641 HydrophobicContact CE1-CG 3.92Å; Y494-P641 HydrophobicContact CE2-CG 4.24Å; Y494-P641 HydrophobicContact CG-CG 3.69Å; Y494-K642 WeakPolarHBondContact O-CE 3.41Å; Y494-K642 PolarHBondContact O-NZ 3.06Å; Y494-K642 VanDerWaalsContact O-NZ 3.11Å; Y494-F705 AromaticContact CD2-CE1 3.68Å; Y494-F705 HydrophobicContact CD2-CE1 3.68Å; Y494-F705 HydrophobicContact CD2-CZ 4.06Å; Y494-F705 HydrophobicContact CG-CE1 4.12Å
495	Q	84.4	Confident	90.6	Very high	79 Å²	79	44 Å²	44	37%	0.369	21%	0.207	S	C	.	.			trans	-62.6	138.2	176.1	-160.3	179.1	11.6	0	0	108.1	E491	E491-Q495 WeakPolarHBondContact O-CA 3.39Å; E491-Q495 PolarHBondContact O-N 3Å
496	E	80.5	Confident	90.5	Very high	36 Å²	36	44.9 Å²	44.9	17%	0.168	21%	0.213	C	C	.	.			trans	-77.1	164.2	171.1	-65.6	-170.3	-165.8	0	0	108.8	T498 I640 K642 H970 L971	E496-T498 PolarHBondContact O-N 3.37Å; E496-I640 HydrophobicContact CG-CD1 3.86Å; E496-I640 VanDerWaalsContact OE1-CD1 3.24Å; E496-I640 WeakPolarHBondContact OE1-CD1 3.31Å; E496-K642 HydrophobicContact CG-CD 4.46Å; E496-K642 WeakPolarHBondContact OE1-CD 3.33Å; E496-H970 HydrophobicContact CB-CB 4.04Å; E496-H970 WeakPolarHBondContact OE2-CB 3.43Å; E496-H970 IonicContact OE2-CE1 2.76Å; E496-H970 IonicContact OE2-CG 3.18Å; E496-H970 IonicContact OE2-ND1 3.96Å; E496-H970 PolarHBondContact OE2-ND1 2.91Å; E496-L971 PolarHBondContact OE2-N 3.27Å
497	Q	79.4	Confident	90.5	Very high	61 Å²	61	40.7 Å²	40.7	29%	0.285	20%	0.195	S	C	.	.			trans	-75.9	110.7	178.8	-66.3	-166.3	-15.8	0	0	109.1
498	T	80.8	Confident	90.5	Very high	54 Å²	54	40.4 Å²	40.4	33%	0.331	19%	0.193	S	C	.	.			trans	-59.6	152.8	168.3	-41.2	0	0	0	0	110.7	E496 E502	E496-T498 PolarHBondContact O-N 3.37Å; T498-E502 HydrophobicContact CG2-CB 4Å
499	D	83.5	Confident	90.5	Very high	33 Å²	33	41.1 Å²	41.1	18%	0.176	20%	0.196	C	C	.	.			trans	-52.3	138.8	172.2	-167.8	-67.6	0	0	0	111	K144 I501 E502 F503	K144-D499 WeakPolarHBondContact CD-OD2 3.42Å; D499-I501 VanDerWaalsContact C-N 3.26Å; D499-I501 PolarHBondContact O-N 2.67Å; D499-I501 WeakPolarHBondContact OD1-CG2 3.35Å; D499-I501 PolarHBondContact OD1-N 2.85Å; D499-E502 HydrophobicContact CB-CB 4.4Å; D499-E502 HydrophobicContact CB-CG 4.38Å; D499-F503 VanDerWaalsContact O-CB 3.26Å; D499-F503 WeakPolarHBondContact O-CB 3.39Å; D499-F503 PolarHBondContact O-N 2.88Å
500	P	89.9	Confident	90.6	Very high	14 Å²	14	38 Å²	38	9%	0.091	18%	0.18	C	C	.	.	H	α-helix	trans	-45.3	-42.8	172.5	-31.8	37.1	0	0	0	116.1	Q149 A151 Q323 V504	Q149-P500 WeakPolarHBondContact O-CB 3.41Å; Q149-P500 WeakPolarHBondContact O-CG 3.34Å; A151-P500 HydrophobicContact CB-CB 3.77Å; Q323-P500 VanDerWaalsContact NE2-CA 3.34Å; Q323-P500 VanDerWaalsContact NE2-CB 3.27Å; P500-V504 WeakPolarHBondContact O-CG2 3.22Å; P500-V504 PolarHBondContact O-N 2.97Å; P500-V504 VanDerWaalsContact O-N 3.14Å
501	I	91.1	Very high	90.8	Very high	6 Å²	6	36.9 Å²	36.9	3%	0.031	17%	0.173	C	C	.	.	H	α-helix	trans	-73	-53.1	-172.4	-154.7	179.9	0	0	0	111.1	K144 A151 Q214 D216 D499 F503 V504 E505	K144-I501 HydrophobicContact CD-CG2 4.37Å; A151-I501 HydrophobicContact CB-CB 4.42Å; Q214-I501 HydrophobicContact CB-CD1 4.46Å; Q214-I501 HydrophobicContact CB-CG1 4.16Å; Q214-I501 HydrophobicContact CG-CD1 4.16Å; Q214-I501 HydrophobicContact CG-CG1 4.2Å; Q214-I501 PolarHBondContact OE1-O 2.98Å; D216-I501 HydrophobicContact CB-CB 4.16Å; D216-I501 HydrophobicContact CB-CD1 4.16Å; D216-I501 HydrophobicContact CB-CG1 4.25Å; D499-I501 VanDerWaalsContact C-N 3.26Å; D499-I501 PolarHBondContact O-N 2.67Å; D499-I501 WeakPolarHBondContact OD1-CG2 3.35Å; D499-I501 PolarHBondContact OD1-N 2.85Å; I501-F503 PolarHBondContact O-N 3.43Å; I501-V504 WeakPolarHBondContact O-CG2 3.41Å; I501-V504 PolarHBondContact O-N 3.01Å; I501-E505 PolarHBondContact O-N 3.46Å
502	E	90.8	Very high	90.9	Very high	87 Å²	87	36.5 Å²	36.5	41%	0.407	17%	0.172	S	C	.	.	H	α-helix	trans	-57.4	-37.2	175.4	-69.1	152.3	-150.1	0	0	111.6	K144 T498 D499 E505 N506	K144-E502 IonicContact NZ-OE1 3.56Å; K144-E502 PolarHBondContact NZ-OE1 3.49Å; T498-E502 HydrophobicContact CG2-CB 4Å; D499-E502 HydrophobicContact CB-CB 4.4Å; D499-E502 HydrophobicContact CB-CG 4.38Å; E502-E505 WeakPolarHBondContact O-CB 3Å; E502-E505 PolarHBondContact O-N 2.95Å; E502-N506 PolarHBondContact O-N 2.93Å
503	F	93.3	Very high	90.9	Very high	28 Å²	28	38.9 Å²	38.9	12%	0.123	19%	0.185	C	C	.	.	H	α-helix	trans	-69.1	-39.7	177.4	-170.7	-114.9	0	0	0	112.7	K60 Y62 I76 D499 I501 E505 I507	K60-F503 HydrophobicContact CD-CE1 4.1Å; K60-F503 VanDerWaalsContact NZ-CD1 3.27Å; Y62-F503 HydrophobicContact CE1-CE1 4.09Å; Y62-F503 HydrophobicContact CE1-CZ 4.17Å; Y62-F503 WeakPolarHBondContact OH-CZ 3.45Å; I76-F503 HydrophobicContact CD1-CD1 4.06Å; I76-F503 HydrophobicContact CD1-CE1 3.81Å; I76-F503 HydrophobicContact CG2-CE1 4.22Å; D499-F503 VanDerWaalsContact O-CB 3.26Å; D499-F503 WeakPolarHBondContact O-CB 3.39Å; D499-F503 PolarHBondContact O-N 2.88Å; I501-F503 PolarHBondContact O-N 3.43Å; F503-E505 VanDerWaalsContact C-N 3.34Å; F503-I507 HydrophobicContact CD2-CG1 4.42Å; F503-I507 HydrophobicContact CE1-CG1 4.38Å; F503-I507 HydrophobicContact CE2-CD1 4.44Å; F503-I507 HydrophobicContact CE2-CG1 4.17Å; F503-I507 HydrophobicContact CZ-CG1 4.15Å; F503-I507 WeakPolarHBondContact O-CB 3.38Å; F503-I507 WeakPolarHBondContact O-CG1 3.27Å; F503-I507 PolarHBondContact O-N 3.01Å
504	V	96.3	Very high	91	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-71.5	-31.5	175.7	-67.5	0	0	0	0	111.9	I76 A151 A153 A321 Q323 P500 I501 I507 C508	I76-V504 HydrophobicContact CD1-CG1 4.35Å; A151-V504 HydrophobicContact CB-CG1 4.46Å; A151-V504 HydrophobicContact CB-CG2 3.85Å; A153-V504 HydrophobicContact CB-CB 4.01Å; A153-V504 HydrophobicContact CB-CG2 3.72Å; A321-V504 HydrophobicContact CB-CB 3.78Å; A321-V504 HydrophobicContact CB-CG1 4.08Å; A321-V504 VanDerWaalsContact CB-O 3.3Å; A321-V504 WeakPolarHBondContact CB-O 3.44Å; Q323-V504 HydrophobicContact CB-CG1 3.66Å; P500-V504 WeakPolarHBondContact O-CG2 3.22Å; P500-V504 PolarHBondContact O-N 2.97Å; P500-V504 VanDerWaalsContact O-N 3.14Å; I501-V504 WeakPolarHBondContact O-CG2 3.41Å; I501-V504 PolarHBondContact O-N 3.01Å; V504-I507 PolarHBondContact O-N 2.77Å; V504-C508 WeakPolarHBondContact O-CB 3.47Å; V504-C508 PolarHBondContact O-N 3.06Å
505	E	95.8	Very high	91.2	Very high	36 Å²	36	35 Å²	35	17%	0.168	18%	0.179	C	C	.	.	H	α-helix	trans	-56.3	-65.1	174.3	-159.7	172.2	-165.3	0	0	111.4	V212 Q214 I501 E502 F503 I507 C508 E509	V212-E505 HydrophobicContact CG1-CG 3.99Å; Q214-E505 VanDerWaalsContact CD-CD 3.44Å; Q214-E505 PolarHBondContact NE2-OE1 3.33Å; Q214-E505 VanDerWaalsContact NE2-OE1 3.09Å; Q214-E505 PolarHBondContact NE2-OE2 2.59Å; Q214-E505 PolarHBondContact OE1-OE2 2.91Å; I501-E505 PolarHBondContact O-N 3.46Å; E502-E505 WeakPolarHBondContact O-CB 3Å; E502-E505 PolarHBondContact O-N 2.95Å; F503-E505 VanDerWaalsContact C-N 3.34Å; E505-I507 PolarHBondContact O-N 3.48Å; E505-C508 PolarHBondContact O-N 2.79Å; E505-C508 PolarHBondContact O-SG 3.14Å; E505-E509 PolarHBondContact O-N 2.97Å; E505-E509 VanDerWaalsContact O-N 3.15Å
506	N	94.7	Very high	91.7	Very high	63 Å²	63	34.2 Å²	34.2	34%	0.337	17%	0.174	S	C	.	.	H	α-helix	trans	-52.4	-42.2	177.6	166.1	-71.1	0	0	0	111.4	E502 E509 N510 D523	E502-N506 PolarHBondContact O-N 2.93Å; N506-E509 WeakPolarHBondContact O-CB 3.16Å; N506-E509 PolarHBondContact O-N 3.32Å; N506-N510 VanDerWaalsContact O-CB 3.27Å; N506-N510 WeakPolarHBondContact O-CB 3.4Å; N506-N510 PolarHBondContact O-N 3.2Å; N506-N510 PolarHBondContact OD1-ND2 3.18Å; N506-D523 PolarHBondContact ND2-OD2 3.33Å; N506-D523 PolarHBondContact OD1-OD2 3.16Å
507	I	96.1	Very high	92.3	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.01	19%	0.185	C	C	.	.	H	α-helix	trans	-70.5	-35.2	-179.1	-69.1	-49.3	0	0	0	113.3	L74 I76 A321 F503 V504 E505 E509 M511 L519 L520	L74-I507 HydrophobicContact CB-CG2 4.21Å; L74-I507 HydrophobicContact CD2-CG2 3.46Å; L74-I507 VanDerWaalsContact CD2-CG2 3.46Å; L74-I507 HydrophobicContact CG-CG2 4.43Å; I76-I507 HydrophobicContact CD1-CG2 4.35Å; A321-I507 HydrophobicContact CB-CB 4.21Å; A321-I507 HydrophobicContact CB-CG2 3.89Å; F503-I507 HydrophobicContact CD2-CG1 4.42Å; F503-I507 HydrophobicContact CE1-CG1 4.38Å; F503-I507 HydrophobicContact CE2-CD1 4.44Å; F503-I507 HydrophobicContact CE2-CG1 4.17Å; F503-I507 HydrophobicContact CZ-CG1 4.15Å; F503-I507 WeakPolarHBondContact O-CB 3.38Å; F503-I507 WeakPolarHBondContact O-CG1 3.27Å; F503-I507 PolarHBondContact O-N 3.01Å; V504-I507 PolarHBondContact O-N 2.77Å; E505-I507 PolarHBondContact O-N 3.48Å; I507-E509 VanDerWaalsContact C-N 3.31Å; I507-M511 PolarHBondContact O-N 3.45Å; I507-L519 WeakPolarHBondContact CD1-O 3.36Å; I507-L520 HydrophobicContact CD1-CD2 3.37Å; I507-L520 HydrophobicContact CG1-CD2 4.18Å
508	C	96.9	Very high	93	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-69.2	-35.2	177.4	84.9	0	0	0	0	111.2	A153 C155 T319 A321 V504 E505	A153-C508 HydrophobicContact CB-CB 4.28Å; A153-C508 WeakPolarHBondContact O-CB 3.42Å; C155-C508 HydrophobicContact CB-CB 4.34Å; C155-C508 VanDerWaalsContact CB-SG 3.59Å; T319-C508 WeakPolarHBondContact CB-O 3.31Å; T319-C508 PolarHBondContact OG1-O 3.02Å; A321-C508 HydrophobicContact CB-CB 3.97Å; V504-C508 WeakPolarHBondContact O-CB 3.47Å; V504-C508 PolarHBondContact O-N 3.06Å; E505-C508 PolarHBondContact O-N 2.79Å; E505-C508 PolarHBondContact O-SG 3.14Å
509	E	95	Very high	93.7	Very high	36 Å²	36	30.6 Å²	30.6	17%	0.168	16%	0.159	C	C	.	.	H	α-helix	trans	-67.5	-48.2	171.5	-71.9	-123.6	-154.5	0	0	112.9	R210 V212 E505 N506 I507 M511 Q512 L513	R210-E509 WeakPolarHBondContact CD-OE2 3.32Å; R210-E509 IonicContact CZ-OE2 3.89Å; R210-E509 IonicContact NE-OE2 2.89Å; R210-E509 PolarHBondContact NE-OE2 3.25Å; R210-E509 IonicContact NH1-OE2 2.65Å; R210-E509 PolarHBondContact NH1-OE2 2.87Å; R210-E509 IonicContact NH2-OE2 3.29Å; V212-E509 HydrophobicContact CG2-CG 3.89Å; V212-E509 WeakPolarHBondContact CG2-OE1 3.13Å; E505-E509 PolarHBondContact O-N 2.97Å; E505-E509 VanDerWaalsContact O-N 3.15Å; N506-E509 WeakPolarHBondContact O-CB 3.16Å; N506-E509 PolarHBondContact O-N 3.32Å; I507-E509 VanDerWaalsContact C-N 3.31Å; E509-M511 PolarHBondContact O-N 3.37Å; E509-M511 VanDerWaalsContact O-N 3.13Å; E509-Q512 WeakPolarHBondContact O-CA 3.4Å; E509-Q512 VanDerWaalsContact O-CB 3.3Å; E509-Q512 WeakPolarHBondContact O-CB 3.48Å; E509-Q512 PolarHBondContact O-N 3.35Å; E509-L513 PolarHBondContact O-N 3.05Å
510	N	95.8	Very high	94.2	Very high	7 Å²	7	29.7 Å²	29.7	4%	0.037	15%	0.154	C	C	.	.	H	α-helix	trans	-58.4	-29.3	178.2	-80.7	-3.7	0	0	0	112.4	N506 Q512 L513 F514 L519 D523	N506-N510 VanDerWaalsContact O-CB 3.27Å; N506-N510 WeakPolarHBondContact O-CB 3.4Å; N506-N510 PolarHBondContact O-N 3.2Å; N506-N510 PolarHBondContact OD1-ND2 3.18Å; N510-Q512 VanDerWaalsContact C-N 3.29Å; N510-Q512 PolarHBondContact O-N 2.9Å; N510-L513 PolarHBondContact O-N 3.45Å; N510-F514 HydrophobicContact CB-CD2 3.83Å; N510-F514 HydrophobicContact CB-CE2 4.31Å; N510-F514 WeakPolarHBondContact O-CB 3.29Å; N510-F514 PolarHBondContact O-N 3.17Å; N510-F514 VanDerWaalsContact OD1-CE2 3.28Å; N510-F514 WeakPolarHBondContact OD1-CE2 3.45Å; N510-L519 WeakPolarHBondContact CB-O 3.41Å; N510-L519 PolarHBondContact ND2-O 2.94Å; N510-D523 VanDerWaalsContact ND2-CG 3.29Å; N510-D523 PolarHBondContact ND2-OD2 3.5Å
511	M	96.8	Very high	94.4	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.01	15%	0.15	C	C	.	.	H	α-helix	trans	-69.2	-20.6	171.2	-76.1	-167.7	-77.4	0	0	114.4	F64 R72 L74 T319 L320 A321 I507 E509 L519	F64-M511 HydrophobicContact CD2-SD 4.09Å; F64-M511 HydrophobicContact CE2-SD 3.89Å; R72-M511 PolarHBondContact NH1-O 2.72Å; R72-M511 PolarHBondContact NH2-O 3.19Å; L74-M511 HydrophobicContact CB-CE 3.89Å; L74-M511 HydrophobicContact CB-SD 3.87Å; T319-M511 HydrophobicContact CG2-CB 3.49Å; T319-M511 VanDerWaalsContact CG2-CB 3.49Å; L320-M511 WeakPolarHBondContact O-CE 3.47Å; A321-M511 HydrophobicContact CB-CE 4.47Å; I507-M511 PolarHBondContact O-N 3.45Å; E509-M511 PolarHBondContact O-N 3.37Å; E509-M511 VanDerWaalsContact O-N 3.13Å; M511-L519 HydrophobicContact CB-CD2 4.26Å; M511-L519 HydrophobicContact CG-CD1 3.96Å; M511-L519 HydrophobicContact CG-CD2 3.68Å; M511-L519 HydrophobicContact CG-CG 4.43Å
512	Q	94.3	Very high	94.5	Very high	42 Å²	42	28.9 Å²	28.9	20%	0.196	15%	0.149	C	C	.	.	H	α-helix	trans	-78.3	-33.6	170.1	-58.1	-70.2	9.4	0	0	111.5	C155 Y317 T319 E509 N510	C155-Q512 HydrophobicContact CB-CG 4.32Å; C155-Q512 PolarHBondContact O-NE2 2.87Å; Y317-Q512 PolarHBondContact O-NE2 2.78Å; T319-Q512 HydrophobicContact CG2-CG 4.21Å; T319-Q512 WeakPolarHBondContact OG1-CG 3.42Å; T319-Q512 PolarHBondContact OG1-NE2 2.93Å; E509-Q512 WeakPolarHBondContact O-CA 3.4Å; E509-Q512 VanDerWaalsContact O-CB 3.3Å; E509-Q512 WeakPolarHBondContact O-CB 3.48Å; E509-Q512 PolarHBondContact O-N 3.35Å; N510-Q512 VanDerWaalsContact C-N 3.29Å; N510-Q512 PolarHBondContact O-N 2.9Å
513	L	92.6	Very high	94.6	Very high	70 Å²	70	27 Å²	27	37%	0.366	14%	0.142	S	C	.	.	H	α-helix	trans	-94.2	-39.4	-171.6	-57.9	179.1	0	0	0	114.4	V389 E509 N510	V389-L513 HydrophobicContact CG1-CD2 4.44Å; E509-L513 PolarHBondContact O-N 3.05Å; N510-L513 PolarHBondContact O-N 3.45Å
514	F	94.6	Very high	94.5	Very high	20 Å²	20	27 Å²	27	9%	0.088	14%	0.142	C	C	.	.	S	Bend	trans	-116.7	152.3	-165.7	-54.7	-51.6	0	0	0	113.6	Y392 N510 L519 G522 D523	Y392-F514 AromaticContact CD1-CD1 3.93Å; Y392-F514 HydrophobicContact CD1-CD1 3.93Å; Y392-F514 HydrophobicContact CD1-CE1 4.07Å; Y392-F514 AromaticContact CD2-CD1 3.87Å; Y392-F514 HydrophobicContact CD2-CD1 3.87Å; Y392-F514 AromaticContact CD2-CE1 3.91Å; Y392-F514 HydrophobicContact CD2-CE1 3.91Å; Y392-F514 HydrophobicContact CE1-CD1 4.24Å; Y392-F514 HydrophobicContact CE2-CD1 4.19Å; Y392-F514 AromaticContact CG-CD1 3.76Å; Y392-F514 HydrophobicContact CG-CD1 3.76Å; Y392-F514 AromaticContact CG-CE1 3.59Å; Y392-F514 HydrophobicContact CG-CE1 3.59Å; N510-F514 HydrophobicContact CB-CD2 3.83Å; N510-F514 HydrophobicContact CB-CE2 4.31Å; N510-F514 WeakPolarHBondContact O-CB 3.29Å; N510-F514 PolarHBondContact O-N 3.17Å; N510-F514 VanDerWaalsContact OD1-CE2 3.28Å; N510-F514 WeakPolarHBondContact OD1-CE2 3.45Å; F514-L519 HydrophobicContact CB-CD2 4.45Å; F514-G522 VanDerWaalsContact CZ-C 3.46Å; F514-D523 HydrophobicContact CE2-CB 3.97Å; F514-D523 HydrophobicContact CZ-CB 4.41Å
515	P	93.8	Very high	94.4	Very high	60 Å²	60	28 Å²	28	39%	0.39	15%	0.147	S	C	.	.			trans	-75.5	157.3	173.7	33.9	-36.5	0	0	0	111.6	Y392 P517 D518 L519	Y392-P515 WeakPolarHBondContact OH-CG 3.41Å; P515-P517 VanDerWaalsContact C-N 3.34Å; P515-P517 WeakPolarHBondContact O-CD 3.35Å; P515-D518 WeakPolarHBondContact CG-OD2 3.35Å; P515-D518 PolarHBondContact O-N 3.33Å; P515-L519 PolarHBondContact O-N 2.93Å
516	K	93.2	Very high	94.4	Very high	61 Å²	61	26.3 Å²	26.3	27%	0.265	14%	0.14	S	C	.	.	G	3₁₀ helix	trans	-40.2	-45.1	-176.8	-179.4	175.4	177.5	171.4	0	116.3	D49 I52 F64 D518 L519	D49-K516 IonicContact OD1-NZ 3.52Å; D49-K516 PolarHBondContact OD1-NZ 3.29Å; D49-K516 VanDerWaalsContact OD2-CE 3.28Å; D49-K516 WeakPolarHBondContact OD2-CE 3.4Å; D49-K516 IonicContact OD2-NZ 3.77Å; D49-K516 PolarHBondContact OD2-NZ 2.73Å; I52-K516 HydrophobicContact CG1-CG 4.24Å; F64-K516 HydrophobicContact CB-CD 4.09Å; F64-K516 HydrophobicContact CB-CG 4.44Å; F64-K516 HydrophobicContact CD1-CD 3.95Å; F64-K516 HydrophobicContact CG-CD 4.11Å; F64-K516 HydrophobicContact CG-CG 4.4Å; K516-D518 VanDerWaalsContact C-N 3.26Å; K516-D518 PolarHBondContact O-N 2.74Å; K516-L519 WeakPolarHBondContact O-CG 3.39Å
517	P	93.4	Very high	94.5	Very high	62 Å²	62	26.1 Å²	26.1	40%	0.403	14%	0.136	S	C	.	.	G	3₁₀ helix	trans	-68.1	-25.5	-176.2	-20.9	34.8	0	0	0	114.2	D51 A53 P515	D51-P517 WeakPolarHBondContact O-CA 3.18Å; A53-P517 PolarHBondContact N-O 2.8Å; P515-P517 VanDerWaalsContact C-N 3.34Å; P515-P517 WeakPolarHBondContact O-CD 3.35Å
518	D	95	Very high	94.5	Very high	12 Å²	12	30.3 Å²	30.3	6%	0.064	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-111.2	14.3	-170	-45.7	-84.3	0	0	0	112.3	Y392 R393 P515 K516 L520 T521 G522 F527	Y392-D518 HydrophobicContact CE2-CB 4.15Å; Y392-D518 PolarHBondContact OH-OD2 3.07Å; R393-D518 IonicContact CZ-OD1 3.89Å; R393-D518 VanDerWaalsContact CZ-OD1 3.25Å; R393-D518 IonicContact CZ-OD2 2.71Å; R393-D518 IonicContact NH1-OD1 3.82Å; R393-D518 PolarHBondContact NH1-OD1 2.78Å; R393-D518 IonicContact NH1-OD2 3.7Å; R393-D518 PolarHBondContact NH1-OD2 3.36Å; R393-D518 IonicContact NH2-OD1 3.84Å; R393-D518 PolarHBondContact NH2-OD1 2.86Å; P515-D518 WeakPolarHBondContact CG-OD2 3.35Å; P515-D518 PolarHBondContact O-N 3.33Å; K516-D518 VanDerWaalsContact C-N 3.26Å; K516-D518 PolarHBondContact O-N 2.74Å; D518-L520 VanDerWaalsContact C-N 3.25Å; D518-L520 PolarHBondContact O-N 3.44Å; D518-T521 WeakPolarHBondContact CA-OG1 3.29Å; D518-T521 PolarHBondContact O-N 2.72Å; D518-T521 VanDerWaalsContact O-N 3.08Å; D518-G522 PolarHBondContact O-N 3.13Å; D518-F527 HydrophobicContact CB-CZ 4.26Å; D518-F527 WeakPolarHBondContact OD1-CE1 3.21Å; D518-F527 WeakPolarHBondContact OD1-CZ 3.36Å
519	L	94.5	Very high	94.5	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.01	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-27.8	-176.8	-69.7	177.2	0	0	0	114.9	F64 L74 I507 N510 M511 F514 P515 K516	F64-L519 HydrophobicContact CD2-CD1 4.1Å; L74-L519 HydrophobicContact CD1-CD1 4.46Å; I507-L519 WeakPolarHBondContact CD1-O 3.36Å; N510-L519 WeakPolarHBondContact CB-O 3.41Å; N510-L519 PolarHBondContact ND2-O 2.94Å; M511-L519 HydrophobicContact CB-CD2 4.26Å; M511-L519 HydrophobicContact CG-CD1 3.96Å; M511-L519 HydrophobicContact CG-CD2 3.68Å; M511-L519 HydrophobicContact CG-CG 4.43Å; F514-L519 HydrophobicContact CB-CD2 4.45Å; P515-L519 PolarHBondContact O-N 2.93Å; K516-L519 WeakPolarHBondContact O-CG 3.39Å
520	L	94.1	Very high	94.7	Very high	14 Å²	14	33.7 Å²	33.7	7%	0.073	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.8	10.2	178.1	-42.2	-179.3	0	0	0	112	I52 A53 K54 Y62 L74 F492 I507 D518	I52-L520 HydrophobicContact CG2-CD1 3.72Å; I52-L520 HydrophobicContact CG2-CG 3.81Å; A53-L520 WeakPolarHBondContact O-CB 3.36Å; K54-L520 HydrophobicContact CB-CD1 3.75Å; Y62-L520 HydrophobicContact CD1-CD1 4.13Å; Y62-L520 HydrophobicContact CD1-CD2 4.33Å; Y62-L520 HydrophobicContact CD2-CD1 4.06Å; Y62-L520 HydrophobicContact CE1-CD1 3.82Å; Y62-L520 HydrophobicContact CE1-CD2 4.01Å; Y62-L520 HydrophobicContact CE2-CD1 3.78Å; Y62-L520 HydrophobicContact CG-CD1 4.24Å; L74-L520 HydrophobicContact CD2-CD2 4.14Å; F492-L520 WeakPolarHBondContact CE2-O 3.47Å; I507-L520 HydrophobicContact CD1-CD2 3.37Å; I507-L520 HydrophobicContact CG1-CD2 4.18Å; D518-L520 VanDerWaalsContact C-N 3.25Å; D518-L520 PolarHBondContact O-N 3.44Å
521	T	94.8	Very high	94.8	Very high	2 Å²	2	36 Å²	36	1%	0.012	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-145.6	-10.5	-170.2	54.4	0	0	0	0	115.5	A53 F492 D518 L525	A53-T521 HydrophobicContact CB-CG2 4.23Å; F492-T521 HydrophobicContact CE1-CG2 3.9Å; F492-T521 HydrophobicContact CE2-CG2 3.93Å; F492-T521 HydrophobicContact CZ-CG2 3.43Å; F492-T521 VanDerWaalsContact CZ-CG2 3.43Å; D518-T521 WeakPolarHBondContact CA-OG1 3.29Å; D518-T521 PolarHBondContact O-N 2.72Å; D518-T521 VanDerWaalsContact O-N 3.08Å; T521-L525 HydrophobicContact CG2-CD1 3.61Å; T521-L525 HydrophobicContact CG2-CG 4.19Å; T521-L525 WeakPolarHBondContact O-CB 3.33Å; T521-L525 PolarHBondContact O-N 3.01Å
522	G	93.6	Very high	94.8	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-28.7	-174.7	0	0	0	0	0	114.4	K395 F514 D518	K395-G522 WeakPolarHBondContact CE-O 3.4Å; K395-G522 PolarHBondContact NZ-O 3.09Å; F514-G522 VanDerWaalsContact CZ-C 3.46Å; D518-G522 PolarHBondContact O-N 3.13Å
523	D	91.5	Very high	95	Very high	47 Å²	47	42.5 Å²	42.5	25%	0.251	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-39.8	172.9	52	-8.8	0	0	0	112.4	K395 N506 N510 F514	K395-D523 VanDerWaalsContact CE-O 3.26Å; K395-D523 WeakPolarHBondContact CE-O 3.46Å; K395-D523 PolarHBondContact NZ-O 2.91Å; N506-D523 PolarHBondContact ND2-OD2 3.33Å; N506-D523 PolarHBondContact OD1-OD2 3.16Å; N510-D523 VanDerWaalsContact ND2-CG 3.29Å; N510-D523 PolarHBondContact ND2-OD2 3.5Å; F514-D523 HydrophobicContact CE2-CB 3.97Å; F514-D523 HydrophobicContact CZ-CB 4.41Å
524	Q	91.2	Very high	95.3	Very high	30 Å²	30	39.2 Å²	39.2	14%	0.14	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-58.7	-179.9	-166.7	171.4	17.4	0	0	114.1	K395 E488 E491	K395-Q524 WeakPolarHBondContact CE-O 3.37Å; E488-Q524 HydrophobicContact CB-CG 4.43Å; E488-Q524 WeakPolarHBondContact OE2-CG 3.38Å; E488-Q524 PolarHBondContact OE2-NE2 3.32Å; E491-Q524 PolarHBondContact OE2-NE2 2.85Å
525	L	95.4	Very high	95.4	Very high	19 Å²	19	39.4 Å²	39.4	10%	0.099	21%	0.208	C	C	.	.			trans	-74.4	140.3	-160.4	-61	-172.5	0	0	0	114.8	E488 F492 T521 F527	E488-L525 HydrophobicContact CB-CD2 4.4Å; F492-L525 HydrophobicContact CB-CD2 3.74Å; F492-L525 HydrophobicContact CD1-CD1 4.02Å; F492-L525 HydrophobicContact CD1-CD2 4.17Å; F492-L525 HydrophobicContact CD1-CG 4.48Å; F492-L525 HydrophobicContact CE1-CD1 4.19Å; F492-L525 HydrophobicContact CG-CD1 4.46Å; F492-L525 HydrophobicContact CG-CD2 3.96Å; F492-L525 HydrophobicContact CG-CG 4.44Å; T521-L525 HydrophobicContact CG2-CD1 3.61Å; T521-L525 HydrophobicContact CG2-CG 4.19Å; T521-L525 WeakPolarHBondContact O-CB 3.33Å; T521-L525 PolarHBondContact O-N 3.01Å; L525-F527 HydrophobicContact CB-CE2 4.13Å; L525-F527 HydrophobicContact CB-CZ 4.22Å; L525-F527 VanDerWaalsContact O-CD2 3.24Å; L525-F527 WeakPolarHBondContact O-CD2 3.45Å; L525-F527 VanDerWaalsContact O-CE2 3.29Å; L525-F527 WeakPolarHBondContact O-CE2 3.4Å
526	M	95.7	Very high	95.6	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.01	22%	0.215	C	C	.	.			trans	-90.2	112.9	167.5	-66.4	-161.6	108.4	0	0	110.1	V394 K395 Y481 I484 Q485	V394-M526 WeakPolarHBondContact O-CE 3.46Å; K395-M526 HydrophobicContact CB-CE 4.05Å; K395-M526 HydrophobicContact CD-CG 4.38Å; Y481-M526 HydrophobicContact CD2-CE 3.78Å; Y481-M526 HydrophobicContact CD2-SD 4.35Å; Y481-M526 HydrophobicContact CE1-CB 4.23Å; Y481-M526 HydrophobicContact CE2-CE 3.39Å; Y481-M526 HydrophobicContact CE2-SD 4.08Å; I484-M526 HydrophobicContact CB-SD 3.79Å; I484-M526 HydrophobicContact CG2-SD 3.44Å; I484-M526 WeakPolarHBondContact CG2-SD 3.42Å; Q485-M526 HydrophobicContact CB-CB 4.09Å; Q485-M526 HydrophobicContact CG-CB 4.31Å; Q485-M526 PolarHBondContact NE2-O 3.15Å
527	F	95.8	Very high	95.8	Very high	59 Å²	59	37.9 Å²	37.9	26%	0.259	20%	0.203	S	C	.	.			trans	-91.2	-36.9	-170.5	-63.7	-97.9	0	0	0	114.5	Y392 R393 D518 L525	Y392-F527 HydrophobicContact CD2-CE2 4.37Å; Y392-F527 HydrophobicContact CE2-CE2 4.18Å; R393-F527 HydrophobicContact CB-CB 4.3Å; R393-F527 HydrophobicContact CB-CD2 4.17Å; R393-F527 HydrophobicContact CG-CD2 4.29Å; R393-F527 WeakPolarHBondContact O-CB 3.44Å; R393-F527 PolarHBondContact O-N 2.87Å; R393-F527 VanDerWaalsContact O-N 3.15Å; D518-F527 HydrophobicContact CB-CZ 4.26Å; D518-F527 WeakPolarHBondContact OD1-CE1 3.21Å; D518-F527 WeakPolarHBondContact OD1-CZ 3.36Å; L525-F527 HydrophobicContact CB-CE2 4.13Å; L525-F527 HydrophobicContact CB-CZ 4.22Å; L525-F527 VanDerWaalsContact O-CD2 3.24Å; L525-F527 WeakPolarHBondContact O-CD2 3.45Å; L525-F527 VanDerWaalsContact O-CE2 3.29Å; L525-F527 WeakPolarHBondContact O-CE2 3.4Å
528	H	96.1	Very high	96	Very high	90 Å²	90	35.2 Å²	35.2	42%	0.417	19%	0.185	S	C	.	.			trans	-160.7	138.4	-178	67.6	-49.6	0	0	0	113.4	R393 V394 Y481 D530	R393-H528 PolarHBondContact O-N 3.25Å; R393-H528 PolarHBondContact O-ND1 3.24Å; R393-H528 VanDerWaalsContact O-ND1 3.16Å; V394-H528 VanDerWaalsContact CG2-CE1 3.43Å; V394-H528 WeakPolarHBondContact CG2-CE1 3.12Å; Y481-H528 VanDerWaalsContact CZ-C 3.44Å; Y481-H528 PolarHBondContact OH-N 3.13Å; Y481-H528 PolarHBondContact OH-O 2.93Å; H528-D530 PolarHBondContact O-N 3.41Å
529	Y	97.9	Very high	96	Very high	61 Å²	61	37.8 Å²	37.8	24%	0.239	20%	0.204	C	C	.	.			trans	-72.2	116.6	175.6	176.9	-115.2	0	0	0	111.6	P476 Q478 Y481 P531 I534	P476-Y529 HydrophobicContact CB-CE2 4.1Å; P476-Y529 PolarHBondContact O-OH 3.03Å; Q478-Y529 HydrophobicContact CB-CD1 4Å; Q478-Y529 HydrophobicContact CB-CE1 3.66Å; Q478-Y529 HydrophobicContact CB-CE2 4.44Å; Q478-Y529 HydrophobicContact CG-CD1 3.88Å; Q478-Y529 HydrophobicContact CG-CE1 4.07Å; Q478-Y529 HydrophobicContact CG-CG 4.3Å; Q478-Y529 PolarHBondContact N-OH 2.7Å; Y481-Y529 HydrophobicContact CD1-CD2 4.2Å; Y481-Y529 HydrophobicContact CD1-CG 4.39Å; Y481-Y529 AromaticContact CD2-CD2 3.71Å; Y481-Y529 HydrophobicContact CD2-CD2 3.71Å; Y481-Y529 HydrophobicContact CE2-CD2 4.45Å; Y481-Y529 AromaticContact CG-CD2 3.57Å; Y481-Y529 HydrophobicContact CG-CD2 3.57Å; Y481-Y529 HydrophobicContact CG-CG 4.2Å; Y529-P531 HydrophobicContact CE1-CB 4.15Å; Y529-P531 HydrophobicContact CE1-CG 4.05Å; Y529-P531 HydrophobicContact CE2-CB 4.49Å; Y529-I534 HydrophobicContact CD2-CD1 4.09Å; Y529-I534 HydrophobicContact CE2-CD1 4.07Å
530	D	98.2	Very high	96.1	Very high	46 Å²	46	39.3 Å²	39.3	25%	0.246	21%	0.212	C	C	.	.			trans	-123.6	103.8	169.8	-173.1	-33.6	0	0	0	109.9	V394 H528 E532 V533 I534	V394-D530 HydrophobicContact CG1-CB 4.07Å; V394-D530 HydrophobicContact CG2-CB 3.92Å; H528-D530 PolarHBondContact O-N 3.41Å; D530-E532 VanDerWaalsContact C-N 3.3Å; D530-E532 PolarHBondContact O-N 3.42Å; D530-E532 WeakPolarHBondContact OD1-CA 3.41Å; D530-E532 WeakPolarHBondContact OD1-CB 3.3Å; D530-E532 PolarHBondContact OD1-N 2.99Å; D530-V533 HydrophobicContact CB-CB 4.12Å; D530-V533 HydrophobicContact CB-CG2 4.12Å; D530-V533 PolarHBondContact OD1-N 2.88Å; D530-V533 WeakPolarHBondContact OD2-CG2 3.37Å; D530-I534 WeakPolarHBondContact O-CG1 3.13Å; D530-I534 PolarHBondContact O-N 2.78Å
531	P	97.8	Very high	96.2	Very high	56 Å²	56	38.7 Å²	38.7	36%	0.364	21%	0.209	S	C	.	.	H	α-helix	trans	-72.1	-19.4	-179.9	29.2	-34.3	0	0	0	113.6	P476 Y529 G535	P476-P531 HydrophobicContact CB-CB 4.16Å; P476-P531 HydrophobicContact CG-CB 4.24Å; Y529-P531 HydrophobicContact CE1-CB 4.15Å; Y529-P531 HydrophobicContact CE1-CG 4.05Å; Y529-P531 HydrophobicContact CE2-CB 4.49Å; P531-G535 WeakPolarHBondContact O-CA 3.38Å; P531-G535 PolarHBondContact O-N 2.94Å
532	E	97.9	Very high	96.3	Very high	157 Å²	157	40.5 Å²	40.5	73%	0.734	22%	0.22	S	C	*	.	H	α-helix	trans	-75.6	-40.4	176.6	-62.8	-169.1	177.5	0	0	110.3	D530 T536	D530-E532 VanDerWaalsContact C-N 3.3Å; D530-E532 PolarHBondContact O-N 3.42Å; D530-E532 WeakPolarHBondContact OD1-CA 3.41Å; D530-E532 WeakPolarHBondContact OD1-CB 3.3Å; D530-E532 PolarHBondContact OD1-N 2.99Å; E532-T536 VanDerWaalsContact O-CB 3.25Å; E532-T536 WeakPolarHBondContact O-CB 3.42Å; E532-T536 PolarHBondContact O-N 2.99Å; E532-T536 PolarHBondContact O-OG1 3.45Å
533	V	97.8	Very high	96.3	Very high	23 Å²	23	41.4 Å²	41.4	14%	0.139	23%	0.226	C	C	.	.	H	α-helix	trans	-64.3	-50.5	174.5	171.7	0	0	0	0	111.1	H391 V394 P396 D530 T536 A537	H391-V533 HydrophobicContact CB-CG1 4.01Å; V394-V533 HydrophobicContact CB-CG1 4.19Å; V394-V533 HydrophobicContact CG1-CB 4.25Å; V394-V533 HydrophobicContact CG1-CG1 4.04Å; V394-V533 HydrophobicContact CG2-CG1 4.43Å; P396-V533 HydrophobicContact CB-CG1 4.15Å; P396-V533 HydrophobicContact CG-CG1 3.99Å; D530-V533 HydrophobicContact CB-CB 4.12Å; D530-V533 HydrophobicContact CB-CG2 4.12Å; D530-V533 PolarHBondContact OD1-N 2.88Å; D530-V533 WeakPolarHBondContact OD2-CG2 3.37Å; V533-T536 PolarHBondContact O-N 3.39Å; V533-A537 PolarHBondContact O-N 3.07Å
534	I	98.1	Very high	96.4	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-63.5	-46.2	178.3	-59.4	165.9	0	0	0	110.6	V394 P396 Y399 I400 P476 Y481 Y529 D530 T536 A537 L538	V394-I534 HydrophobicContact CG1-CD1 4.17Å; V394-I534 HydrophobicContact CG1-CG1 3.85Å; P396-I534 HydrophobicContact CB-CG1 4.25Å; Y399-I534 HydrophobicContact CD1-CD1 4.31Å; Y399-I534 HydrophobicContact CD1-CG2 3.36Å; Y399-I534 HydrophobicContact CD2-CD1 4.36Å; Y399-I534 HydrophobicContact CE1-CG2 3.72Å; Y399-I534 HydrophobicContact CG-CD1 4.11Å; Y399-I534 HydrophobicContact CG-CG2 4.16Å; I400-I534 HydrophobicContact CG1-CG2 4.44Å; P476-I534 HydrophobicContact CB-CB 4.12Å; P476-I534 HydrophobicContact CB-CD1 4.34Å; P476-I534 HydrophobicContact CB-CG2 3.93Å; P476-I534 HydrophobicContact CG-CB 3.78Å; P476-I534 HydrophobicContact CG-CG2 3.66Å; Y481-I534 HydrophobicContact CD2-CD1 4.01Å; Y481-I534 HydrophobicContact CE2-CD1 4.35Å; Y529-I534 HydrophobicContact CD2-CD1 4.09Å; Y529-I534 HydrophobicContact CE2-CD1 4.07Å; D530-I534 WeakPolarHBondContact O-CG1 3.13Å; D530-I534 PolarHBondContact O-N 2.78Å; I534-T536 VanDerWaalsContact C-N 3.3Å; I534-T536 PolarHBondContact O-N 3.35Å; I534-A537 PolarHBondContact O-N 3.18Å; I534-L538 WeakPolarHBondContact O-CB 3.45Å; I534-L538 PolarHBondContact O-N 3.25Å
535	G	97.9	Very high	96.5	Very high	25 Å²	25	45.8 Å²	45.8	26%	0.258	24%	0.243	S	C	.	.	H	α-helix	trans	-62.2	-35.4	178.3	0	0	0	0	0	112.9	P531 S539	P531-G535 WeakPolarHBondContact O-CA 3.38Å; P531-G535 PolarHBondContact O-N 2.94Å; G535-S539 WeakPolarHBondContact O-CB 3.5Å; G535-S539 PolarHBondContact O-N 3.34Å
536	T	97.6	Very high	96.5	Very high	87 Å²	87	44.9 Å²	44.9	53%	0.534	24%	0.238	S	C	.	.	H	α-helix	trans	-62.6	-50.6	174.9	-62.9	0	0	0	0	110.8	E532 V533 I534 S539	E532-T536 VanDerWaalsContact O-CB 3.25Å; E532-T536 WeakPolarHBondContact O-CB 3.42Å; E532-T536 PolarHBondContact O-N 2.99Å; E532-T536 PolarHBondContact O-OG1 3.45Å; V533-T536 PolarHBondContact O-N 3.39Å; I534-T536 VanDerWaalsContact C-N 3.3Å; I534-T536 PolarHBondContact O-N 3.35Å; T536-S539 PolarHBondContact O-N 3.14Å; T536-S539 PolarHBondContact O-OG 2.95Å
537	A	96.9	Very high	96.6	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.008	24%	0.238	C	C	.	.	H	α-helix	trans	-60.9	-48.4	177.9	0	0	0	0	0	111.7	L385 P396 L397 I400 V533 I534 S539 L540	L385-A537 HydrophobicContact CD2-CB 4.29Å; P396-A537 HydrophobicContact CB-CB 4.08Å; L397-A537 HydrophobicContact CD2-CB 4.49Å; I400-A537 HydrophobicContact CD1-CB 3.96Å; V533-A537 PolarHBondContact O-N 3.07Å; I534-A537 PolarHBondContact O-N 3.18Å; A537-S539 VanDerWaalsContact C-N 3.25Å; A537-S539 PolarHBondContact O-N 2.82Å; A537-L540 WeakPolarHBondContact O-CB 3.25Å; A537-L540 PolarHBondContact O-N 3.37Å
538	L	97.3	Very high	96.7	Very high	7 Å²	7	42 Å²	42	4%	0.037	23%	0.226	C	C	.	.	H	α-helix	trans	-59.9	-31.7	178.7	-178.8	60.7	0	0	0	113.1	I400 L468 L471 Q472 I534 L540 L541	I400-L538 HydrophobicContact CD1-CB 3.91Å; I400-L538 HydrophobicContact CG1-CB 4.49Å; I400-L538 HydrophobicContact CG2-CD1 4.49Å; L468-L538 HydrophobicContact CD2-CD1 4.11Å; L471-L538 HydrophobicContact CB-CD1 4.17Å; L471-L538 HydrophobicContact CB-CD2 3.98Å; L471-L538 HydrophobicContact CD1-CD1 4.48Å; Q472-L538 HydrophobicContact CG-CD1 4.26Å; Q472-L538 HydrophobicContact CG-CD2 4.34Å; Q472-L538 HydrophobicContact CG-CG 3.84Å; Q472-L538 PolarHBondContact NE2-O 3.33Å; I534-L538 WeakPolarHBondContact O-CB 3.45Å; I534-L538 PolarHBondContact O-N 3.25Å; L538-L540 PolarHBondContact O-N 3.12Å; L538-L541 HydrophobicContact CD1-CD1 4.33Å; L538-L541 PolarHBondContact O-N 3.17Å
539	S	96.8	Very high	96.7	Very high	66 Å²	66	38 Å²	38	46%	0.462	21%	0.207	S	C	.	.	H	α-helix	trans	-68.9	-16.7	176.8	77.7	0	0	0	0	114.2	G535 T536 A537 T542	G535-S539 WeakPolarHBondContact O-CB 3.5Å; G535-S539 PolarHBondContact O-N 3.34Å; T536-S539 PolarHBondContact O-N 3.14Å; T536-S539 PolarHBondContact O-OG 2.95Å; A537-S539 VanDerWaalsContact C-N 3.25Å; A537-S539 PolarHBondContact O-N 2.82Å; S539-T542 WeakPolarHBondContact O-CG2 3.41Å
540	L	96.2	Very high	96.7	Very high	33 Å²	33	35.1 Å²	35.1	17%	0.173	20%	0.196	C	C	.	.	H	α-helix	trans	-84.4	-20.7	177.8	-54.4	179.1	0	0	0	112.5	L385 P386 A537 L538 T542 R545	L385-L540 HydrophobicContact CB-CD1 4.24Å; L385-L540 HydrophobicContact CD2-CB 4.37Å; L385-L540 HydrophobicContact CD2-CD1 3.99Å; L385-L540 HydrophobicContact CG-CB 4.23Å; L385-L540 HydrophobicContact CG-CD1 3.9Å; P386-L540 HydrophobicContact CG-CD1 4.44Å; A537-L540 WeakPolarHBondContact O-CB 3.25Å; A537-L540 PolarHBondContact O-N 3.37Å; L538-L540 PolarHBondContact O-N 3.12Å; L540-T542 VanDerWaalsContact C-N 3.3Å; L540-T542 PolarHBondContact O-N 3.25Å; L540-R545 PolarHBondContact O-NH1 2.8Å
541	L	96.8	Very high	96.6	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	19%	0.188	C	C	.	.			trans	-79.7	73.9	-178.7	-54.2	-176	0	0	0	110.5	W383 L385 I400 F443 L468 Q472 L538	W383-L541 HydrophobicContact CB-CD2 3.7Å; W383-L541 HydrophobicContact CD2-CB 4.45Å; W383-L541 HydrophobicContact CD2-CD2 3.77Å; W383-L541 HydrophobicContact CE3-CD2 4.05Å; W383-L541 HydrophobicContact CG-CD2 3.65Å; L385-L541 HydrophobicContact CD1-CD2 3.94Å; L385-L541 HydrophobicContact CD2-CD2 4.48Å; I400-L541 HydrophobicContact CD1-CD1 4.41Å; I400-L541 HydrophobicContact CG2-CD1 3.77Å; F443-L541 HydrophobicContact CB-CD2 4.14Å; F443-L541 HydrophobicContact CD1-CD1 3.98Å; F443-L541 HydrophobicContact CD1-CD2 4.08Å; F443-L541 HydrophobicContact CE1-CD1 4.15Å; F443-L541 HydrophobicContact CG-CD2 4.33Å; L468-L541 HydrophobicContact CD1-CB 4.18Å; L468-L541 HydrophobicContact CD2-CB 3.9Å; L468-L541 HydrophobicContact CD2-CD1 3.85Å; Q472-L541 PolarHBondContact NE2-O 2.86Å; L538-L541 HydrophobicContact CD1-CD1 4.33Å; L538-L541 PolarHBondContact O-N 3.17Å
542	T	95.1	Very high	96.4	Very high	41 Å²	41	31 Å²	31	25%	0.252	17%	0.17	S	C	.	.			trans	-115.7	151.3	-178.5	65.5	0	0	0	0	111.9	W383 S539 L540 L544 R545 A546	W383-T542 PolarHBondContact NE1-O 3.49Å; S539-T542 WeakPolarHBondContact O-CG2 3.41Å; L540-T542 VanDerWaalsContact C-N 3.3Å; L540-T542 PolarHBondContact O-N 3.25Å; T542-L544 VanDerWaalsContact C-N 3.29Å; T542-L544 PolarHBondContact O-N 3.35Å; T542-R545 PolarHBondContact O-N 3.08Å; T542-R545 VanDerWaalsContact O-N 3.12Å; T542-A546 PolarHBondContact O-N 3.4Å
543	P	95.2	Very high	96	Very high	18 Å²	18	25.4 Å²	25.4	12%	0.117	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-54.7	-42.1	-179.7	-29.9	37.2	0	0	0	114	H365 F465 R545 A546 W583	H365-P543 PolarHBondContact CE1-O 3.39Å; F465-P543 HydrophobicContact CB-CG 4.12Å; F465-P543 HydrophobicContact CD1-CG 4.34Å; F465-P543 HydrophobicContact CD2-CB 3.62Å; F465-P543 HydrophobicContact CD2-CG 3.57Å; F465-P543 HydrophobicContact CE2-CB 3.51Å; F465-P543 HydrophobicContact CE2-CG 3.98Å; F465-P543 HydrophobicContact CG-CB 4.25Å; F465-P543 HydrophobicContact CG-CG 3.77Å; F465-P543 HydrophobicContact CZ-CB 4.07Å; P543-R545 PolarHBondContact O-N 3.03Å; P543-R545 VanDerWaalsContact O-N 3.07Å; P543-A546 PolarHBondContact O-N 3.19Å; P543-W583 HydrophobicContact CB-CB 3.56Å; P543-W583 HydrophobicContact CB-CD2 3.93Å; P543-W583 HydrophobicContact CB-CE3 3.95Å; P543-W583 HydrophobicContact CB-CG 3.79Å; P543-W583 HydrophobicContact CG-CB 3.94Å; P543-W583 HydrophobicContact CG-CG 4.21Å
544	L	92.1	Very high	95.7	Very high	72 Å²	72	29.2 Å²	29.2	38%	0.377	16%	0.164	S	C	.	.	G	3₁₀ helix	trans	-73.6	4.3	-176.9	-53.4	175.5	0	0	0	114	T542 E584	T542-L544 VanDerWaalsContact C-N 3.29Å; T542-L544 PolarHBondContact O-N 3.35Å; L544-E584 HydrophobicContact CD1-CG 3.85Å; L544-E584 HydrophobicContact CD2-CG 4.19Å
545	R	93.8	Very high	95.2	Very high	97 Å²	97	29.4 Å²	29.4	37%	0.366	17%	0.165	S	C	.	.	G	3₁₀ helix	trans	-125.5	0.5	176.9	-68.8	-176	61.5	-162.3	-9.2	113	A384 L540 T542 P543	A384-R545 PolarHBondContact O-NH2 3.33Å; L540-R545 PolarHBondContact O-NH1 2.8Å; T542-R545 PolarHBondContact O-N 3.08Å; T542-R545 VanDerWaalsContact O-N 3.12Å; P543-R545 PolarHBondContact O-N 3.03Å; P543-R545 VanDerWaalsContact O-N 3.07Å
546	A	96.1	Very high	94.6	Very high	1 Å²	1	33 Å²	33	1%	0.008	18%	0.176	C	C	.	.			trans	-79.6	137.1	179.1	0	0	0	0	0	110.9	H365 I381 S382 W383 F465 T542 P543 L548	H365-A546 PolarHBondContact ND1-O 3.04Å; I381-A546 HydrophobicContact CG2-CB 3.95Å; S382-A546 CarbonylContact O-C 3.43Å; S382-A546 WeakPolarHBondContact O-CA 3.47Å; W383-A546 HydrophobicContact CZ2-CB 4.19Å; F465-A546 HydrophobicContact CE1-CB 4.3Å; F465-A546 HydrophobicContact CZ-CB 3.94Å; T542-A546 PolarHBondContact O-N 3.4Å; P543-A546 PolarHBondContact O-N 3.19Å; A546-L548 HydrophobicContact CB-CD2 4.41Å
547	N	97.1	Very high	94	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	138.1	155	-179	-95.2	0	0	0	108.2	F364 Y368 I381 S382	F364-N547 HydrophobicContact CD1-CB 4.24Å; F364-N547 HydrophobicContact CD2-CB 4.3Å; F364-N547 HydrophobicContact CE1-CB 3.88Å; F364-N547 HydrophobicContact CE2-CB 3.98Å; F364-N547 HydrophobicContact CG-CB 4.44Å; F364-N547 HydrophobicContact CZ-CB 3.76Å; F364-N547 WeakPolarHBondContact O-CA 3.49Å; F364-N547 WeakPolarHBondContact O-CB 3.44Å; F364-N547 PolarHBondContact O-ND2 2.95Å; Y368-N547 VanDerWaalsContact CD2-ND2 3.35Å; Y368-N547 WeakPolarHBondContact CD2-ND2 3.02Å; Y368-N547 WeakPolarHBondContact CE2-ND2 3.28Å; I381-N547 WeakPolarHBondContact CA-O 3.16Å; S382-N547 PolarHBondContact N-O 3.13Å; S382-N547 PolarHBondContact O-N 3.09Å
548	L	97.8	Very high	93.5	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	123.3	174.1	-58.1	-179	0	0	0	109	K366 L367 Y368 I381 V461 F465 A546 I575 W579 W583	K366-L548 PolarHBondContact O-N 2.89Å; L367-L548 CarbonylContact C-O 3.48Å; L367-L548 WeakPolarHBondContact CA-O 3.46Å; L367-L548 HydrophobicContact CD1-CB 3.79Å; Y368-L548 PolarHBondContact N-O 2.73Å; I381-L548 HydrophobicContact CB-CD2 4.29Å; I381-L548 HydrophobicContact CD1-CD2 4.44Å; I381-L548 HydrophobicContact CG1-CD2 3.9Å; I381-L548 HydrophobicContact CG2-CD2 3.87Å; V461-L548 HydrophobicContact CG1-CD1 4.35Å; V461-L548 HydrophobicContact CG1-CD2 4.07Å; V461-L548 HydrophobicContact CG2-CD1 4.48Å; V461-L548 HydrophobicContact CG2-CD2 4.23Å; F465-L548 HydrophobicContact CZ-CD2 4.43Å; A546-L548 HydrophobicContact CB-CD2 4.41Å; L548-I575 HydrophobicContact CD1-CD1 3.86Å; L548-I575 HydrophobicContact CG-CD1 4.4Å; L548-W579 HydrophobicContact CD1-CZ3 4.44Å; L548-W583 HydrophobicContact CD1-CH2 4.23Å
549	L	97.4	Very high	93.3	Very high	6 Å²	6	37.6 Å²	37.6	3%	0.031	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	121.4	-179.7	176.2	134	0	0	0	109.4	K265 L268 V370 L379 T380 L551	K265-L549 HydrophobicContact CG-CD2 4.19Å; L268-L549 HydrophobicContact CD2-CD1 4.24Å; V370-L549 HydrophobicContact CG2-CD1 4.13Å; V370-L549 HydrophobicContact CG2-CG 4.21Å; L379-L549 WeakPolarHBondContact CA-O 3.45Å; T380-L549 PolarHBondContact N-O 3.04Å; T380-L549 PolarHBondContact O-N 2.94Å; L549-L551 HydrophobicContact CD2-CD1 3.33Å; L549-L551 HydrophobicContact CG-CD1 4.09Å
550	L	97.2	Very high	93.1	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	103.8	-169.8	-174.4	71.1	0	0	0	110.5	L367 Y368 V370 A378 L379 L449 Y454 F457 N555	L367-L550 HydrophobicContact CD1-CB 4.36Å; Y368-L550 PolarHBondContact O-N 3.16Å; V370-L550 PolarHBondContact N-O 2.97Å; A378-L550 CarbonylContact O-C 3.56Å; A378-L550 WeakPolarHBondContact O-CA 3.25Å; L379-L550 HydrophobicContact CB-CD1 4.12Å; L379-L550 HydrophobicContact CD1-CD1 4.32Å; L449-L550 HydrophobicContact CD1-CD1 4.02Å; Y454-L550 HydrophobicContact CD2-CD1 4.19Å; Y454-L550 HydrophobicContact CD2-CD2 4.24Å; Y454-L550 HydrophobicContact CD2-CG 4.34Å; Y454-L550 HydrophobicContact CE2-CD1 4.43Å; Y454-L550 HydrophobicContact CE2-CD2 3.75Å; Y454-L550 HydrophobicContact CE2-CG 4.08Å; F457-L550 HydrophobicContact CB-CD1 4.16Å; F457-L550 HydrophobicContact CD1-CD2 4.14Å; F457-L550 HydrophobicContact CD2-CD1 4.16Å; F457-L550 HydrophobicContact CD2-CD2 3.78Å; F457-L550 HydrophobicContact CE1-CD2 4.18Å; F457-L550 HydrophobicContact CE2-CD2 3.81Å; F457-L550 HydrophobicContact CG-CD1 4.23Å; F457-L550 HydrophobicContact CG-CD2 3.95Å; F457-L550 HydrophobicContact CZ-CD2 4.01Å; L550-N555 PolarHBondContact O-ND2 2.95Å; L550-N555 VanDerWaalsContact O-ND2 3.12Å
551	L	95.4	Very high	93.1	Very high	14 Å²	14	41.8 Å²	41.8	7%	0.073	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	127.2	174.3	-85.7	63.3	0	0	0	109.5	D261 V370 P372 V376 H377 A378 L549	D261-L551 HydrophobicContact CB-CD2 4.46Å; V370-L551 HydrophobicContact CB-CD1 3.87Å; V370-L551 HydrophobicContact CB-CG 4.14Å; V370-L551 HydrophobicContact CG1-CD1 4.31Å; V370-L551 HydrophobicContact CG1-CG 4.35Å; V370-L551 HydrophobicContact CG2-CD1 4.25Å; P372-L551 HydrophobicContact CB-CB 4.43Å; P372-L551 HydrophobicContact CB-CD2 4.18Å; P372-L551 HydrophobicContact CB-CG 4.34Å; P372-L551 HydrophobicContact CG-CB 4.42Å; V376-L551 HydrophobicContact CG1-CD2 4.44Å; H377-L551 WeakPolarHBondContact CA-O 3.37Å; A378-L551 HydrophobicContact CB-CB 4.21Å; A378-L551 PolarHBondContact N-O 3.33Å; A378-L551 VanDerWaalsContact N-O 3.11Å; A378-L551 PolarHBondContact O-N 3.18Å; L549-L551 HydrophobicContact CD2-CD1 3.33Å; L549-L551 HydrophobicContact CG-CD1 4.09Å
552	A	94	Very high	93	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	28%	0.278	C	S	.	.			trans	-160.7	134.4	172.8	0	0	0	0	0	111.2	V370 P372 Y454 E554 N555	V370-A552 PolarHBondContact O-N 3.29Å; V370-A552 VanDerWaalsContact O-N 3.14Å; P372-A552 VanDerWaalsContact CD-C 3.42Å; P372-A552 WeakPolarHBondContact CD-O 3.41Å; Y454-A552 HydrophobicContact CD2-CB 3.89Å; Y454-A552 HydrophobicContact CE1-CB 4.32Å; Y454-A552 HydrophobicContact CE2-CB 3.33Å; A552-E554 PolarHBondContact O-N 3.19Å; A552-N555 PolarHBondContact N-ND2 2.9Å; A552-N555 VanDerWaalsContact O-CB 3.3Å; A552-N555 WeakPolarHBondContact O-CB 3.18Å; A552-N555 PolarHBondContact O-N 3.16Å; A552-N555 PolarHBondContact O-ND2 3.29Å
553	P	90.3	Very high	92.9	Very high	41 Å²	41	47 Å²	47	27%	0.266	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-56	-30.4	171.3	-26.9	35.6	0	0	0	113.2	P372 K375 V376 N555 E556	P372-P553 HydrophobicContact CG-CG 4.21Å; K375-P553 HydrophobicContact CG-CG 4.38Å; V376-P553 WeakPolarHBondContact O-CD 3.47Å; P553-N555 PolarHBondContact O-N 2.75Å; P553-N555 VanDerWaalsContact O-N 3.14Å; P553-E556 WeakPolarHBondContact O-CB 3.37Å; P553-E556 PolarHBondContact O-N 3.35Å
554	E	90.8	Very high	92.8	Very high	102 Å²	102	53.4 Å²	53.4	48%	0.477	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-65.4	-12.2	177.4	-64.1	83.9	168.3	0	0	113.8	H377 Y454 A552 E556	H377-E554 IonicContact CD2-OE2 2.82Å; H377-E554 IonicContact CE1-OE1 3.89Å; H377-E554 IonicContact CE1-OE2 2.66Å; H377-E554 VanDerWaalsContact NE2-CD 3.3Å; H377-E554 IonicContact NE2-OE1 2.72Å; H377-E554 PolarHBondContact NE2-OE1 2.92Å; H377-E554 VanDerWaalsContact NE2-OE1 3.14Å; H377-E554 IonicContact NE2-OE2 3.2Å; H377-E554 PolarHBondContact NE2-OE2 3.48Å; Y454-E554 HydrophobicContact CE1-CB 4.07Å; Y454-E554 HydrophobicContact CE1-CG 4.22Å; A552-E554 PolarHBondContact O-N 3.19Å; E554-E556 PolarHBondContact O-N 3.31Å
555	N	88.6	Confident	92.8	Very high	5 Å²	5	52.3 Å²	52.3	3%	0.027	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-73.8	-11.4	170.6	-64.7	-38.3	0	0	0	112.2	V370 V371 L550 A552 P553 S558 C559	V370-N555 PolarHBondContact N-ND2 3.29Å; V370-N555 PolarHBondContact O-ND2 2.98Å; V371-N555 HydrophobicContact CG2-CB 3.98Å; L550-N555 PolarHBondContact O-ND2 2.95Å; L550-N555 VanDerWaalsContact O-ND2 3.12Å; A552-N555 PolarHBondContact N-ND2 2.9Å; A552-N555 VanDerWaalsContact O-CB 3.3Å; A552-N555 WeakPolarHBondContact O-CB 3.18Å; A552-N555 PolarHBondContact O-N 3.16Å; A552-N555 PolarHBondContact O-ND2 3.29Å; P553-N555 PolarHBondContact O-N 2.75Å; P553-N555 VanDerWaalsContact O-N 3.14Å; N555-S558 WeakPolarHBondContact O-CB 3.31Å; N555-S558 PolarHBondContact O-N 2.96Å; N555-S558 VanDerWaalsContact O-N 3.07Å; N555-C559 PolarHBondContact O-N 2.73Å; N555-C559 PolarHBondContact O-SG 2.63Å
556	E	85.1	Confident	92.7	Very high	101 Å²	101	47.8 Å²	47.8	47%	0.472	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	137.1	177.7	-170.9	177.3	-158.7	0	0	111.4	V371 P553 E554 S558	V371-E556 HydrophobicContact CG1-CB 4.21Å; P553-E556 WeakPolarHBondContact O-CB 3.37Å; P553-E556 PolarHBondContact O-N 3.35Å; E554-E556 PolarHBondContact O-N 3.31Å; E556-S558 PolarHBondContact O-N 3.26Å
557	G	83.9	Confident	92.5	Very high	84 Å²	84	48.4 Å²	48.4	87%	0.866	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.3	-10.8	-175.6	0	0	0	0	0	115.7
558	S	87.3	Confident	92.3	Very high	85 Å²	85	48.4 Å²	48.4	59%	0.594	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.8	-6.8	176.3	-56.6	0	0	0	0	113.5	N555 E556 P560	N555-S558 WeakPolarHBondContact O-CB 3.31Å; N555-S558 PolarHBondContact O-N 2.96Å; N555-S558 VanDerWaalsContact O-N 3.07Å; E556-S558 PolarHBondContact O-N 3.26Å; S558-P560 WeakPolarHBondContact O-CD 3.28Å
559	C	92.1	Very high	92.2	Very high	22 Å²	22	50.4 Å²	50.4	15%	0.149	29%	0.29	C	S	.	.			trans	-100.8	104.3	-178.4	-69.6	0	0	0	0	111.7	V371 N555 Y570	V371-C559 HydrophobicContact CG2-CB 4.08Å; N555-C559 PolarHBondContact O-N 2.73Å; N555-C559 PolarHBondContact O-SG 2.63Å; C559-Y570 CarbonylContact C-O 3.56Å; C559-Y570 WeakPolarHBondContact CA-O 3.2Å; C559-Y570 WeakPolarHBondContact CB-O 3.4Å; C559-Y570 VanDerWaalsContact SG-C 3.56Å
560	P	93.8	Very high	92.1	Very high	111 Å²	111	52 Å²	52	72%	0.721	30%	0.296	S	S	*	.			trans	-91.8	-9.7	-176.8	36.5	-36	0	0	0	114	S558	S558-P560 WeakPolarHBondContact O-CD 3.28Å
561	L	95	Very high	92.1	Very high	75 Å²	75	52.6 Å²	52.6	39%	0.393	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	152.5	179.7	-55.5	176.9	0	0	0	109.9	S569 Y570 C572	L561-S569 WeakPolarHBondContact O-CA 3.45Å; L561-Y570 HydrophobicContact CB-CD1 3.86Å; L561-Y570 HydrophobicContact CB-CD2 4.18Å; L561-Y570 HydrophobicContact CB-CE1 3.59Å; L561-Y570 HydrophobicContact CB-CE2 3.91Å; L561-Y570 HydrophobicContact CB-CG 4.15Å; L561-Y570 WeakPolarHBondContact CB-O 3.38Å; L561-Y570 HydrophobicContact CD1-CD2 4.1Å; L561-Y570 HydrophobicContact CD1-CE2 3.48Å; L561-Y570 VanDerWaalsContact CD1-CE2 3.48Å; L561-Y570 HydrophobicContact CG-CE2 4.34Å; L561-Y570 PolarHBondContact N-O 3.45Å; L561-Y570 PolarHBondContact O-N 3.49Å; L561-C572 HydrophobicContact CD1-CB 4.25Å
562	Q	94.2	Very high	92.1	Very high	136 Å²	136	53.9 Å²	53.9	64%	0.636	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.9	128.7	177.1	-158.4	174.4	14.7	0	0	109.5	G567 T568	Q562-G567 WeakPolarHBondContact CG-O 3.09Å; Q562-G567 PolarHBondContact NE2-O 3.46Å; Q562-T568 CarbonylContact C-O 3.51Å; Q562-T568 WeakPolarHBondContact CA-O 3.27Å
563	E	94.4	Very high	92.2	Very high	17 Å²	17	57.1 Å²	57.1	8%	0.079	33%	0.327	C	S	.	.			trans	-62.3	144.3	167.1	-164.9	-68.6	114.5	0	0	108.7	M267 W565 F566 G567 T568	M267-E563 HydrophobicContact CG-CG 4.32Å; E563-W565 VanDerWaalsContact CD-N 3.29Å; E563-W565 VanDerWaalsContact OE1-CD1 3.29Å; E563-W565 PolarHBondContact OE1-N 3.41Å; E563-W565 WeakPolarHBondContact OE2-CA 3.2Å; E563-W565 PolarHBondContact OE2-N 3.15Å; E563-F566 PolarHBondContact OE2-N 2.9Å; E563-G567 VanDerWaalsContact O-CA 3.25Å; E563-G567 WeakPolarHBondContact O-CA 3.44Å; E563-G567 PolarHBondContact O-N 2.91Å; E563-T568 PolarHBondContact N-O 2.64Å
564	K	92	Very high	92.4	Very high	152 Å²	152	60.8 Å²	60.8	66%	0.661	34%	0.344	S	S	*	.	S	Bend	trans	-69.8	-40.3	-167.9	179.4	-169.4	169.2	-157.2	0	113.7
565	W	92.4	Very high	92.6	Very high	48 Å²	48	56.2 Å²	56.2	18%	0.182	32%	0.323	C	S	.	.	S	Bend	trans	-93.5	-68.3	-167.9	-56.4	111.4	0	0	0	111.1	Y254 F282 T289 E563 G567	Y254-W565 PolarHBondContact OH-O 2.89Å; F282-W565 HydrophobicContact CB-CD2 4.18Å; F282-W565 HydrophobicContact CB-CG 4.49Å; F282-W565 HydrophobicContact CB-CH2 4.44Å; F282-W565 HydrophobicContact CB-CZ2 3.63Å; F282-W565 HydrophobicContact CD1-CD2 4.08Å; F282-W565 HydrophobicContact CD1-CE3 4.09Å; F282-W565 HydrophobicContact CD1-CH2 4.07Å; F282-W565 HydrophobicContact CD1-CZ2 4.07Å; F282-W565 HydrophobicContact CD1-CZ3 4.11Å; F282-W565 HydrophobicContact CD2-CB 3.97Å; F282-W565 AromaticContact CD2-CD1 3.78Å; F282-W565 AromaticContact CD2-CD2 3.84Å; F282-W565 HydrophobicContact CD2-CD2 3.84Å; F282-W565 HydrophobicContact CD2-CE3 4.48Å; F282-W565 AromaticContact CD2-CG 3.61Å; F282-W565 HydrophobicContact CD2-CG 3.61Å; F282-W565 HydrophobicContact CE1-CD2 4.42Å; F282-W565 HydrophobicContact CE1-CE3 4.15Å; F282-W565 HydrophobicContact CE1-CZ3 4.32Å; F282-W565 HydrophobicContact CE2-CB 3.85Å; F282-W565 HydrophobicContact CE2-CD2 4.22Å; F282-W565 AromaticContact CE2-CG 3.95Å; F282-W565 HydrophobicContact CE2-CG 3.95Å; F282-W565 AromaticContact CG-CD2 3.76Å; F282-W565 HydrophobicContact CG-CD2 3.76Å; F282-W565 AromaticContact CG-CE2 3.63Å; F282-W565 HydrophobicContact CG-CE3 4.26Å; F282-W565 HydrophobicContact CG-CG 4.03Å; F282-W565 HydrophobicContact CG-CH2 4.4Å; F282-W565 AromaticContact CG-CZ2 3.94Å; F282-W565 HydrophobicContact CG-CZ2 3.94Å; F282-W565 AromaticContact CG-NE1 3.89Å; F282-W565 HydrophobicContact CZ-CD2 4.5Å; F282-W565 HydrophobicContact CZ-CE3 4.4Å; T289-W565 HydrophobicContact CG2-CH2 3.39Å; T289-W565 HydrophobicContact CG2-CZ2 4.48Å; T289-W565 HydrophobicContact CG2-CZ3 3.58Å; E563-W565 VanDerWaalsContact CD-N 3.29Å; E563-W565 VanDerWaalsContact OE1-CD1 3.29Å; E563-W565 PolarHBondContact OE1-N 3.41Å; E563-W565 WeakPolarHBondContact OE2-CA 3.2Å; E563-W565 PolarHBondContact OE2-N 3.15Å; W565-G567 PolarHBondContact O-N 2.83Å
566	F	92.1	Very high	92.9	Very high	3 Å²	3	58.5 Å²	58.5	1%	0.013	34%	0.338	C	S	.	.	S	Bend	trans	-73.1	-14.6	-179	-71.9	-102.7	0	0	0	111.8	Y254 R258 H263 R264 M267 F282 W284 E563 T568	Y254-F566 HydrophobicContact CD2-CZ 4.29Å; Y254-F566 HydrophobicContact CE2-CD2 4.31Å; Y254-F566 HydrophobicContact CE2-CE1 4.18Å; Y254-F566 AromaticContact CE2-CE2 3.9Å; Y254-F566 HydrophobicContact CE2-CE2 3.9Å; Y254-F566 AromaticContact CE2-CZ 3.81Å; Y254-F566 HydrophobicContact CE2-CZ 3.81Å; R258-F566 HydrophobicContact CG-CD1 4.49Å; H263-F566 HydrophobicContact CB-CD1 4.3Å; H263-F566 HydrophobicContact CB-CE1 3.52Å; H263-F566 HydrophobicContact CB-CZ 3.67Å; R264-F566 HydrophobicContact CG-CB 3.84Å; R264-F566 HydrophobicContact CG-CD1 3.91Å; R264-F566 HydrophobicContact CG-CG 4.15Å; R264-F566 PolarHBondContact NH1-O 3.18Å; M267-F566 HydrophobicContact CB-CD2 3.88Å; M267-F566 HydrophobicContact CB-CE2 4.12Å; M267-F566 HydrophobicContact CE-CE2 4.28Å; M267-F566 HydrophobicContact CG-CD2 3.93Å; M267-F566 HydrophobicContact CG-CE2 4.2Å; F282-F566 HydrophobicContact CE2-CE2 4.12Å; W284-F566 AromaticContact NE1-CZ 3.89Å; E563-F566 PolarHBondContact OE2-N 2.9Å; F566-T568 VanDerWaalsContact C-N 3.34Å
567	G	91.4	Very high	93.3	Very high	14 Å²	14	60.5 Å²	60.5	14%	0.144	35%	0.347	C	S	.	.			trans	75.3	25	-179.6	0	0	0	0	0	112.8	Q562 E563 W565 S569	Q562-G567 WeakPolarHBondContact CG-O 3.09Å; Q562-G567 PolarHBondContact NE2-O 3.46Å; E563-G567 VanDerWaalsContact O-CA 3.25Å; E563-G567 WeakPolarHBondContact O-CA 3.44Å; E563-G567 PolarHBondContact O-N 2.91Å; W565-G567 PolarHBondContact O-N 2.83Å; G567-S569 PolarHBondContact O-N 2.91Å
568	T	93.2	Very high	93.7	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	34%	0.336	C	S	.	.			trans	-60	114.6	-178	-51	0	0	0	0	110.9	R264 L268 V370 Q562 E563 F566 Y570	R264-T568 HydrophobicContact CB-CG2 4.28Å; R264-T568 WeakPolarHBondContact CB-OG1 3.34Å; L268-T568 HydrophobicContact CD2-CG2 4.45Å; V370-T568 HydrophobicContact CG1-CG2 3.6Å; Q562-T568 CarbonylContact C-O 3.51Å; Q562-T568 WeakPolarHBondContact CA-O 3.27Å; E563-T568 PolarHBondContact N-O 2.64Å; F566-T568 VanDerWaalsContact C-N 3.34Å; T568-Y570 WeakPolarHBondContact O-CD1 3.45Å
569	S	95.1	Very high	94.1	Very high	43 Å²	43	60.4 Å²	60.4	30%	0.301	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	123.8	177.9	-62.4	0	0	0	0	110.3	V371 L561 G567	V371-S569 PolarHBondContact N-O 2.86Å; L561-S569 WeakPolarHBondContact O-CA 3.45Å; G567-S569 PolarHBondContact O-N 2.91Å
570	Y	96.5	Very high	94	Very high	39 Å²	39	62.3 Å²	62.3	15%	0.153	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	164	-178.9	74	-78.5	0	0	0	114.7	L268 Y368 R369 C559 L561 T568 C572	L268-Y570 HydrophobicContact CD1-CD1 3.83Å; L268-Y570 HydrophobicContact CD1-CD2 4.09Å; L268-Y570 HydrophobicContact CD1-CE1 3.7Å; L268-Y570 HydrophobicContact CD1-CE2 3.98Å; L268-Y570 HydrophobicContact CD1-CG 4.03Å; L268-Y570 HydrophobicContact CD2-CD1 4.49Å; L268-Y570 HydrophobicContact CD2-CG 4.18Å; Y368-Y570 AromaticContact CD1-CD2 3.99Å; Y368-Y570 HydrophobicContact CD1-CD2 3.99Å; Y368-Y570 HydrophobicContact CD1-CE2 4.24Å; Y368-Y570 HydrophobicContact CE1-CD2 4.37Å; Y368-Y570 HydrophobicContact CE1-CE2 4.15Å; R369-Y570 CarbonylContact O-C 3.52Å; R369-Y570 WeakPolarHBondContact O-CA 3.38Å; R369-Y570 VanDerWaalsContact O-CB 3.25Å; R369-Y570 WeakPolarHBondContact O-CB 3.15Å; C559-Y570 CarbonylContact C-O 3.56Å; C559-Y570 WeakPolarHBondContact CA-O 3.2Å; C559-Y570 WeakPolarHBondContact CB-O 3.4Å; C559-Y570 VanDerWaalsContact SG-C 3.56Å; L561-Y570 HydrophobicContact CB-CD1 3.86Å; L561-Y570 HydrophobicContact CB-CD2 4.18Å; L561-Y570 HydrophobicContact CB-CE1 3.59Å; L561-Y570 HydrophobicContact CB-CE2 3.91Å; L561-Y570 HydrophobicContact CB-CG 4.15Å; L561-Y570 WeakPolarHBondContact CB-O 3.38Å; L561-Y570 HydrophobicContact CD1-CD2 4.1Å; L561-Y570 HydrophobicContact CD1-CE2 3.48Å; L561-Y570 VanDerWaalsContact CD1-CE2 3.48Å; L561-Y570 HydrophobicContact CG-CE2 4.34Å; L561-Y570 PolarHBondContact N-O 3.45Å; L561-Y570 PolarHBondContact O-N 3.49Å; T568-Y570 WeakPolarHBondContact O-CD1 3.45Å; Y570-C572 HydrophobicContact CD2-CB 4.41Å; Y570-C572 HydrophobicContact CE2-CB 4.25Å
571	S	96.8	Very high	94	Very high	12 Å²	12	64.2 Å²	64.2	8%	0.084	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	161.4	158.9	83.8	0	0	0	0	110.1	Y368 R369	Y368-S571 WeakPolarHBondContact CA-O 3.4Å; R369-S571 WeakPolarHBondContact CB-OG 3.27Å; R369-S571 PolarHBondContact N-O 2.77Å; R369-S571 PolarHBondContact O-N 3.37Å
572	C	95.6	Very high	93.9	Very high	42 Å²	42	65.7 Å²	65.7	28%	0.284	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	107.5	-176.4	-177.4	0	0	0	0	108.4	K366 Y368 L561 Y570	K366-C572 WeakPolarHBondContact CD-SG 3.42Å; Y368-C572 HydrophobicContact CD1-CB 4.22Å; Y368-C572 HydrophobicContact CE1-CB 3.96Å; Y368-C572 WeakPolarHBondContact CE1-SG 3.36Å; L561-C572 HydrophobicContact CD1-CB 4.25Å; Y570-C572 HydrophobicContact CD2-CB 4.41Å; Y570-C572 HydrophobicContact CE2-CB 4.25Å
573	D	95.3	Very high	93.9	Very high	68 Å²	68	59.8 Å²	59.8	36%	0.364	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	145.1	-175.6	-58.4	-40.2	0	0	0	109.9	K366 L367 R369	K366-D573 WeakPolarHBondContact CB-O 3.42Å; L367-D573 HydrophobicContact CB-CB 4.43Å; L367-D573 PolarHBondContact N-O 2.78Å; L367-D573 PolarHBondContact O-N 2.69Å; R369-D573 IonicContact NE-OD2 2.75Å; R369-D573 PolarHBondContact NE-OD2 2.88Å
574	D	95.8	Very high	93.6	Very high	117 Å²	117	65.5 Å²	65.5	63%	0.626	31%	0.312	S	S	*	.	P	Polyproline II helix	trans	-65.7	148.3	165.7	-67.1	-49.3	0	0	0	110.1	K366	K366-D574 IonicContact NZ-OD1 3.28Å; K366-D574 PolarHBondContact NZ-OD1 2.86Å
575	I	94.4	Very high	93.4	Very high	7 Å²	7	61 Å²	61	4%	0.036	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-62	131.2	174.2	-56.6	-58.3	0	0	0	108.6	L367 L548 E577 W579 E580 W583	L367-I575 HydrophobicContact CB-CD1 4.12Å; L548-I575 HydrophobicContact CD1-CD1 3.86Å; L548-I575 HydrophobicContact CG-CD1 4.4Å; I575-E577 PolarHBondContact O-N 2.92Å; I575-W579 HydrophobicContact CG2-CB 4.03Å; I575-W579 HydrophobicContact CG2-CE3 4.29Å; I575-E580 HydrophobicContact CB-CG 4.01Å; I575-E580 HydrophobicContact CG2-CG 3.7Å; I575-W583 HydrophobicContact CG2-CE3 4.4Å; I575-W583 HydrophobicContact CG2-CZ3 3.75Å
576	P	94.6	Very high	93.1	Very high	52 Å²	52	65.7 Å²	65.7	34%	0.338	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-59.4	133	-179.8	-26.4	34.8	0	0	0	112.6	E578 W579 E580	P576-E578 PolarHBondContact O-N 2.9Å; P576-W579 HydrophobicContact CB-CD2 4.26Å; P576-W579 HydrophobicContact CB-CG 4.06Å; P576-W579 HydrophobicContact CG-CD2 3.89Å; P576-W579 HydrophobicContact CG-CE3 4.26Å; P576-W579 HydrophobicContact CG-CG 4.23Å; P576-W579 HydrophobicContact CG-CZ2 4.33Å; P576-W579 WeakPolarHBondContact O-CA 3.48Å; P576-W579 WeakPolarHBondContact O-CB 3.43Å; P576-W579 PolarHBondContact O-N 2.75Å; P576-E580 PolarHBondContact O-N 3.04Å; P576-E580 VanDerWaalsContact O-N 3.15Å
577	E	92.9	Very high	93.2	Very high	143 Å²	143	66.5 Å²	66.5	67%	0.668	33%	0.332	S	S	*	.	H	α-helix	trans	-54	-23.1	179.8	-63.8	-177.8	179.5	0	0	114	I575 R581	I575-E577 PolarHBondContact O-N 2.92Å; E577-R581 WeakPolarHBondContact O-CB 3.43Å; E577-R581 VanDerWaalsContact O-CG 3.27Å; E577-R581 WeakPolarHBondContact O-CG 3.33Å; E577-R581 PolarHBondContact O-N 2.86Å; E577-R581 PolarHBondContact O-NE 2.94Å
578	E	93.9	Very high	93.2	Very high	133 Å²	133	74.1 Å²	74.1	62%	0.621	36%	0.364	S	S	*	.	H	α-helix	trans	-70.7	-37.8	173.2	-174.8	177.5	163.6	0	0	112.3	P576 R582	P576-E578 PolarHBondContact O-N 2.9Å; E578-R582 WeakPolarHBondContact O-CB 3.42Å; E578-R582 PolarHBondContact O-N 3.36Å; E578-R582 VanDerWaalsContact O-N 3.13Å
579	W	94.1	Very high	93.3	Very high	34 Å²	34	77.4 Å²	77.4	13%	0.129	38%	0.381	C	S	.	.	H	α-helix	trans	-73.8	-47.2	179.3	-59.8	7.8	0	0	0	110	F457 F458 L548 I575 P576 R581 R582 W583	F457-W579 AromaticContact CE2-CH2 3.66Å; F457-W579 HydrophobicContact CE2-CH2 3.66Å; F457-W579 HydrophobicContact CE2-CZ3 4.2Å; F457-W579 AromaticContact CZ-CH2 3.63Å; F457-W579 HydrophobicContact CZ-CH2 3.63Å; F457-W579 HydrophobicContact CZ-CZ2 4.45Å; F458-W579 HydrophobicContact CB-CH2 3.85Å; F458-W579 HydrophobicContact CB-CZ2 3.56Å; F458-W579 AromaticContact CD2-CD1 3.82Å; F458-W579 AromaticContact CD2-CD2 3.28Å; F458-W579 HydrophobicContact CD2-CD2 3.28Å; F458-W579 AromaticContact CD2-CE2 3.2Å; F458-W579 AromaticContact CD2-CE3 3.7Å; F458-W579 HydrophobicContact CD2-CE3 3.7Å; F458-W579 AromaticContact CD2-CG 3.72Å; F458-W579 HydrophobicContact CD2-CG 3.72Å; F458-W579 AromaticContact CD2-CH2 3.93Å; F458-W579 HydrophobicContact CD2-CH2 3.93Å; F458-W579 AromaticContact CD2-CZ2 3.57Å; F458-W579 HydrophobicContact CD2-CZ2 3.57Å; F458-W579 AromaticContact CD2-CZ3 4Å; F458-W579 HydrophobicContact CD2-CZ3 4Å; F458-W579 AromaticContact CD2-NE1 3.55Å; F458-W579 HydrophobicContact CE2-CB 3.91Å; F458-W579 AromaticContact CE2-CD1 3.42Å; F458-W579 VanDerWaalsContact CE2-CD1 3.42Å; F458-W579 AromaticContact CE2-CD2 3.48Å; F458-W579 HydrophobicContact CE2-CD2 3.48Å; F458-W579 VanDerWaalsContact CE2-CD2 3.48Å; F458-W579 AromaticContact CE2-CE2 3.69Å; F458-W579 HydrophobicContact CE2-CE3 4.13Å; F458-W579 AromaticContact CE2-CG 3.33Å; F458-W579 HydrophobicContact CE2-CG 3.33Å; F458-W579 HydrophobicContact CE2-CZ2 4.48Å; F458-W579 AromaticContact CE2-NE1 3.64Å; F458-W579 HydrophobicContact CG-CD2 4.22Å; F458-W579 AromaticContact CG-CE2 3.67Å; F458-W579 HydrophobicContact CG-CH2 4.25Å; F458-W579 AromaticContact CG-CZ2 3.71Å; F458-W579 HydrophobicContact CG-CZ2 3.71Å; F458-W579 AromaticContact CG-NE1 3.87Å; F458-W579 AromaticContact CZ-CD1 3.79Å; F458-W579 HydrophobicContact CZ-CG 4.11Å; L548-W579 HydrophobicContact CD1-CZ3 4.44Å; I575-W579 HydrophobicContact CG2-CB 4.03Å; I575-W579 HydrophobicContact CG2-CE3 4.29Å; P576-W579 HydrophobicContact CB-CD2 4.26Å; P576-W579 HydrophobicContact CB-CG 4.06Å; P576-W579 HydrophobicContact CG-CD2 3.89Å; P576-W579 HydrophobicContact CG-CE3 4.26Å; P576-W579 HydrophobicContact CG-CG 4.23Å; P576-W579 HydrophobicContact CG-CZ2 4.33Å; P576-W579 WeakPolarHBondContact O-CA 3.48Å; P576-W579 WeakPolarHBondContact O-CB 3.43Å; P576-W579 PolarHBondContact O-N 2.75Å; W579-R581 PolarHBondContact O-N 2.84Å; W579-R582 WeakPolarHBondContact O-CB 3.2Å; W579-R582 PolarHBondContact O-N 2.8Å; W579-R582 VanDerWaalsContact O-N 3.15Å; W579-W583 HydrophobicContact CB-CD2 4.38Å; W579-W583 HydrophobicContact CB-CE3 4.17Å; W579-W583 HydrophobicContact CB-CH2 3.99Å; W579-W583 HydrophobicContact CB-CZ2 4.17Å; W579-W583 HydrophobicContact CB-CZ3 3.98Å; W579-W583 HydrophobicContact CD2-CH2 4.25Å; W579-W583 AromaticContact CE3-CH2 3.56Å; W579-W583 HydrophobicContact CE3-CH2 3.56Å; W579-W583 HydrophobicContact CE3-CZ2 4.19Å; W579-W583 HydrophobicContact CE3-CZ3 4.24Å; W579-W583 HydrophobicContact CG-CH2 4.48Å; W579-W583 HydrophobicContact CZ3-CH2 4.34Å; W579-W583 WeakPolarHBondContact O-CB 3.25Å; W579-W583 VanDerWaalsContact O-CG 3.23Å; W579-W583 PolarHBondContact O-N 2.87Å
580	E	90.9	Very high	93.3	Very high	63 Å²	63	76.4 Å²	76.4	29%	0.294	37%	0.372	S	S	.	.	H	α-helix	trans	-54.1	-55.6	174.6	-64.1	-174.2	146.9	0	0	110.9	I575 P576 R582 W583 E584	I575-E580 HydrophobicContact CB-CG 4.01Å; I575-E580 HydrophobicContact CG2-CG 3.7Å; P576-E580 PolarHBondContact O-N 3.04Å; P576-E580 VanDerWaalsContact O-N 3.15Å; E580-R582 PolarHBondContact O-N 3.35Å; E580-W583 CarbonylContact O-C 3.58Å; E580-W583 PolarHBondContact O-N 2.9Å; E580-E584 WeakPolarHBondContact O-CB 3.38Å; E580-E584 WeakPolarHBondContact O-CG 3.44Å; E580-E584 PolarHBondContact O-N 2.98Å
581	R	92.9	Very high	93.2	Very high	150 Å²	150	80.2 Å²	80.2	57%	0.566	40%	0.402	S	S	*	.	H	α-helix	trans	-59.8	-32.8	178.6	-74.6	179	-66.9	147.7	-0.2	113.4	E577 W579 S585	E577-R581 WeakPolarHBondContact O-CB 3.43Å; E577-R581 VanDerWaalsContact O-CG 3.27Å; E577-R581 WeakPolarHBondContact O-CG 3.33Å; E577-R581 PolarHBondContact O-N 2.86Å; E577-R581 PolarHBondContact O-NE 2.94Å; W579-R581 PolarHBondContact O-N 2.84Å; R581-S585 WeakPolarHBondContact O-CB 3.4Å; R581-S585 PolarHBondContact O-N 3.02Å
582	R	93.6	Very high	93.2	Very high	107 Å²	107	84 Å²	84	40%	0.404	42%	0.421	S	S	.	.	H	α-helix	trans	-68.5	-41.9	174.6	-175.9	-177	-178.6	135.1	0.5	110.8	H462 E578 W579 E580 S585 F587	H462-R582 PolarHBondContact CD2-NH2 2.91Å; H462-R582 PolarHBondContact CE1-NE 2.91Å; H462-R582 PolarHBondContact NE2-NE 3.12Å; H462-R582 PolarHBondContact NE2-NH2 3.02Å; E578-R582 WeakPolarHBondContact O-CB 3.42Å; E578-R582 PolarHBondContact O-N 3.36Å; E578-R582 VanDerWaalsContact O-N 3.13Å; W579-R582 WeakPolarHBondContact O-CB 3.2Å; W579-R582 PolarHBondContact O-N 2.8Å; W579-R582 VanDerWaalsContact O-N 3.15Å; E580-R582 PolarHBondContact O-N 3.35Å; R582-S585 PolarHBondContact O-N 3.11Å; R582-S585 PolarHBondContact O-OG 3.09Å; R582-F587 WeakPolarHBondContact O-CD1 3.29Å
583	W	93.6	Very high	93.2	Very high	12 Å²	12	82.6 Å²	82.6	5%	0.045	41%	0.411	C	S	.	.	H	α-helix	trans	-81.1	-25	-177.6	-61.1	-28	0	0	0	114.2	F458 V461 H462 F465 P543 L548 I575 W579 E580 S585	F458-W583 AromaticContact CD2-CZ2 3.98Å; F458-W583 HydrophobicContact CD2-CZ2 3.98Å; F458-W583 HydrophobicContact CE2-CH2 4.43Å; F458-W583 AromaticContact CE2-CZ2 3.6Å; F458-W583 HydrophobicContact CE2-CZ2 3.6Å; V461-W583 HydrophobicContact CG1-CH2 3.79Å; V461-W583 HydrophobicContact CG1-CZ2 3.67Å; H462-W583 AromaticContact ND1-CD1 3.93Å; H462-W583 AromaticContact ND1-NE1 3.58Å; F465-W583 AromaticContact CD2-CD2 3.88Å; F465-W583 HydrophobicContact CD2-CD2 3.88Å; F465-W583 AromaticContact CD2-CE2 3.58Å; F465-W583 HydrophobicContact CD2-CE3 4.44Å; F465-W583 HydrophobicContact CD2-CG 4.18Å; F465-W583 HydrophobicContact CD2-CH2 4.44Å; F465-W583 AromaticContact CD2-CZ2 3.91Å; F465-W583 HydrophobicContact CD2-CZ2 3.91Å; F465-W583 AromaticContact CD2-NE1 3.73Å; F465-W583 AromaticContact CE2-CD2 3.81Å; F465-W583 HydrophobicContact CE2-CD2 3.81Å; F465-W583 AromaticContact CE2-CE2 3.66Å; F465-W583 AromaticContact CE2-CE3 3.9Å; F465-W583 HydrophobicContact CE2-CE3 3.9Å; F465-W583 AromaticContact CE2-CH2 3.73Å; F465-W583 HydrophobicContact CE2-CH2 3.73Å; F465-W583 AromaticContact CE2-CZ2 3.64Å; F465-W583 HydrophobicContact CE2-CZ2 3.64Å; F465-W583 AromaticContact CE2-CZ3 3.86Å; F465-W583 HydrophobicContact CE2-CZ3 3.86Å; P543-W583 HydrophobicContact CB-CB 3.56Å; P543-W583 HydrophobicContact CB-CD2 3.93Å; P543-W583 HydrophobicContact CB-CE3 3.95Å; P543-W583 HydrophobicContact CB-CG 3.79Å; P543-W583 HydrophobicContact CG-CB 3.94Å; P543-W583 HydrophobicContact CG-CG 4.21Å; L548-W583 HydrophobicContact CD1-CH2 4.23Å; I575-W583 HydrophobicContact CG2-CE3 4.4Å; I575-W583 HydrophobicContact CG2-CZ3 3.75Å; W579-W583 HydrophobicContact CB-CD2 4.38Å; W579-W583 HydrophobicContact CB-CE3 4.17Å; W579-W583 HydrophobicContact CB-CH2 3.99Å; W579-W583 HydrophobicContact CB-CZ2 4.17Å; W579-W583 HydrophobicContact CB-CZ3 3.98Å; W579-W583 HydrophobicContact CD2-CH2 4.25Å; W579-W583 AromaticContact CE3-CH2 3.56Å; W579-W583 HydrophobicContact CE3-CH2 3.56Å; W579-W583 HydrophobicContact CE3-CZ2 4.19Å; W579-W583 HydrophobicContact CE3-CZ3 4.24Å; W579-W583 HydrophobicContact CG-CH2 4.48Å; W579-W583 HydrophobicContact CZ3-CH2 4.34Å; W579-W583 WeakPolarHBondContact O-CB 3.25Å; W579-W583 VanDerWaalsContact O-CG 3.23Å; W579-W583 PolarHBondContact O-N 2.87Å; E580-W583 CarbonylContact O-C 3.58Å; E580-W583 PolarHBondContact O-N 2.9Å; W583-S585 VanDerWaalsContact C-N 3.32Å
584	E	89.4	Confident	93.3	Very high	136 Å²	136	83.4 Å²	83.4	64%	0.636	41%	0.412	S	S	*	.	H	α-helix	trans	-67.5	-31.8	164.7	-76.2	-175.7	151.6	0	0	112.2	L544 E580	L544-E584 HydrophobicContact CD1-CG 3.85Å; L544-E584 HydrophobicContact CD2-CG 4.19Å; E580-E584 WeakPolarHBondContact O-CB 3.38Å; E580-E584 WeakPolarHBondContact O-CG 3.44Å; E580-E584 PolarHBondContact O-N 2.98Å
585	S	86.5	Confident	93.4	Very high	59 Å²	59	79.5 Å²	79.5	41%	0.413	39%	0.391	S	S	.	.	S	Bend	trans	-76.7	160.5	-179.1	80.8	0	0	0	0	112.7	R581 R582 W583 F587	R581-S585 WeakPolarHBondContact O-CB 3.4Å; R581-S585 PolarHBondContact O-N 3.02Å; R582-S585 PolarHBondContact O-N 3.11Å; R582-S585 PolarHBondContact O-OG 3.09Å; W583-S585 VanDerWaalsContact C-N 3.32Å; S585-F587 VanDerWaalsContact O-CD1 3.26Å; S585-F587 WeakPolarHBondContact O-CD1 3.28Å; S585-F587 PolarHBondContact O-N 3.27Å
586	D	87.1	Confident	93.4	Very high	146 Å²	146	79.8 Å²	79.8	78%	0.781	39%	0.393	S	S	*	.			trans	-74	70	172.1	-168.7	20	0	0	0	111	K469	K469-D586 WeakPolarHBondContact CE-OD1 3.3Å; K469-D586 VanDerWaalsContact NZ-C 3.31Å; K469-D586 IonicContact NZ-OD1 3.25Å; K469-D586 PolarHBondContact NZ-OD1 2.98Å
587	F	92.8	Very high	93.4	Very high	20 Å²	20	80.4 Å²	80.4	9%	0.088	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-65.5	141.6	-176.9	57.3	-97.5	0	0	0	113.1	H462 F465 Q466 K469 R582 S585	H462-F587 AromaticContact CE1-CD2 3.59Å; H462-F587 AromaticContact CE1-CG 3.9Å; F465-F587 HydrophobicContact CB-CZ 4.26Å; Q466-F587 HydrophobicContact CG-CD2 4.03Å; Q466-F587 HydrophobicContact CG-CE2 3.95Å; K469-F587 HydrophobicContact CB-CE2 4.14Å; K469-F587 HydrophobicContact CB-CZ 4.19Å; K469-F587 HydrophobicContact CD-CD2 3.92Å; K469-F587 HydrophobicContact CD-CE1 4.18Å; K469-F587 HydrophobicContact CD-CE2 3.49Å; K469-F587 VanDerWaalsContact CD-CE2 3.49Å; K469-F587 HydrophobicContact CD-CG 4.46Å; K469-F587 HydrophobicContact CD-CZ 3.64Å; K469-F587 HydrophobicContact CG-CE2 4.47Å; K469-F587 VanDerWaalsContact NZ-N 3.12Å; K469-F587 PolarHBondContact NZ-O 2.68Å; R582-F587 WeakPolarHBondContact O-CD1 3.29Å; S585-F587 VanDerWaalsContact O-CD1 3.26Å; S585-F587 WeakPolarHBondContact O-CD1 3.28Å; S585-F587 PolarHBondContact O-N 3.27Å
588	E	92.6	Very high	93.5	Very high	173 Å²	173	80.9 Å²	80.9	81%	0.808	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-61.7	147.9	-179.1	-63.1	-178.5	165	0	0	112	Q466	Q466-E588 PolarHBondContact NE2-O 2.78Å
589	L	94.7	Very high	93.5	Very high	70 Å²	70	75.4 Å²	75.4	37%	0.366	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-86.4	147.3	173.3	-62.2	-178.4	0	0	0	110.6	Q466 K469 M470	Q466-L589 VanDerWaalsContact O-CD2 3.31Å; Q466-L589 WeakPolarHBondContact O-CD2 3.49Å; K469-L589 HydrophobicContact CB-CD2 3.96Å; K469-L589 HydrophobicContact CD-CD2 3.99Å; K469-L589 HydrophobicContact CG-CD2 3.95Å; M470-L589 HydrophobicContact CB-CD1 4.14Å; M470-L589 HydrophobicContact CB-CD2 4.4Å; M470-L589 HydrophobicContact CG-CD1 4.49Å
590	N	95.1	Very high	93.5	Very high	22 Å²	22	81.6 Å²	81.6	12%	0.118	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-78.5	123.8	173.1	-176.4	-15.7	0	0	0	109.6	L415 L463 D592 L593	L415-N590 WeakPolarHBondContact CD2-ND2 3.11Å; L463-N590 HydrophobicContact CD2-CB 4.42Å; L463-N590 WeakPolarHBondContact CD2-ND2 3.05Å; N590-D592 PolarHBondContact O-N 3.4Å; N590-D592 PolarHBondContact OD1-N 3.42Å; N590-L593 HydrophobicContact CB-CD1 3.99Å; N590-L593 HydrophobicContact CB-CG 4.1Å; N590-L593 PolarHBondContact O-N 2.98Å
591	P	95.1	Very high	93.8	Very high	118 Å²	118	79 Å²	79	77%	0.766	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-16	-178	29.4	-38.2	0	0	0	114.7	L593	P591-L593 VanDerWaalsContact C-N 3.25Å
592	D	95.7	Very high	93.9	Very high	92 Å²	92	72.9 Å²	72.9	49%	0.492	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-14.5	175.7	-59.2	-31.2	0	0	0	112.3	L415 N590	L415-D592 HydrophobicContact CD1-CB 4.21Å; N590-D592 PolarHBondContact O-N 3.4Å; N590-D592 PolarHBondContact OD1-N 3.42Å
593	L	97.1	Very high	94	Very high	12 Å²	12	68 Å²	68	6%	0.063	35%	0.352	C	S	.	.			trans	-90.1	126.6	177.6	-63	177.8	0	0	0	110.1	G410 L415 Q466 Y467 M470 N590 P591	G410-L593 WeakPolarHBondContact O-CA 3.38Å; L415-L593 HydrophobicContact CB-CD2 4.43Å; L415-L593 HydrophobicContact CD2-CD2 3.9Å; L415-L593 HydrophobicContact CD2-CG 4.27Å; Q466-L593 HydrophobicContact CB-CD1 4Å; Y467-L593 HydrophobicContact CD2-CB 4.14Å; Y467-L593 HydrophobicContact CD2-CD1 4.38Å; Y467-L593 HydrophobicContact CD2-CD2 4.12Å; Y467-L593 HydrophobicContact CD2-CG 4.43Å; M470-L593 HydrophobicContact SD-CB 4.33Å; M470-L593 VanDerWaalsContact SD-O 3.36Å; N590-L593 HydrophobicContact CB-CD1 3.99Å; N590-L593 HydrophobicContact CB-CG 4.1Å; N590-L593 PolarHBondContact O-N 2.98Å; P591-L593 VanDerWaalsContact C-N 3.25Å
594	H	96.9	Very high	94	Very high	85 Å²	85	72.7 Å²	72.7	39%	0.394	38%	0.382	S	S	.	.			trans	-155.2	163.4	176.7	60.9	76.3	0	0	0	111.8	T409 G410	T409-H594 PolarHBondContact O-CE1 2.92Å; G410-H594 CarbonylContact C-O 3.18Å; G410-H594 VanDerWaalsContact CA-CE1 3.45Å; G410-H594 WeakPolarHBondContact CA-CE1 3.34Å; G410-H594 WeakPolarHBondContact CA-NE2 3.37Å; G410-H594 PolarHBondContact O-N 3.43Å
595	L	96.6	Very high	94.3	Very high	36 Å²	36	69.1 Å²	69.1	19%	0.188	37%	0.367	C	S	.	.			trans	-61.6	151.5	172.2	-68.1	174.2	0	0	0	111.5	L403 L471 L474 Q477 I480	L403-L595 HydrophobicContact CD1-CD2 4.46Å; L403-L595 HydrophobicContact CD2-CD2 4Å; L471-L595 HydrophobicContact CD2-CD2 3.61Å; L474-L595 HydrophobicContact CD1-CD1 3.75Å; L474-L595 HydrophobicContact CD1-CG 3.84Å; Q477-L595 HydrophobicContact CG-CD1 3.75Å; I480-L595 HydrophobicContact CD1-CD2 4.21Å
596	P	95.1	Very high	94.7	Very high	13 Å²	13	68.4 Å²	68.4	8%	0.084	36%	0.357	C	S	.	.			trans	-66	160.3	177.6	28.6	-36.6	0	0	0	112.7	L403 H406 R479 I480	L403-P596 HydrophobicContact CD2-CG 4.21Å; H406-P596 VanDerWaalsContact NE2-CB 3.3Å; H406-P596 WeakPolarHBondContact NE2-CB 3.3Å; R479-P596 PolarHBondContact NH2-O 2.99Å; I480-P596 HydrophobicContact CD1-CG 4.24Å
597	A	94.3	Very high	95	Very high	65 Å²	65	67.1 Å²	67.1	54%	0.537	35%	0.35	S	S	.	.			trans	-71.9	-173.8	174.9	0	0	0	0	0	112.2	R479	R479-A597 PolarHBondContact NH1-O 3.29Å; R479-A597 PolarHBondContact NH2-O 2.56Å
598	E	94.8	Very high	95.1	Very high	152 Å²	152	70.5 Å²	70.5	71%	0.71	37%	0.369	S	S	*	.			trans	-79	123.7	169.3	-178.1	179.4	169.9	0	0	109.6	R600	E598-R600 PolarHBondContact O-N 2.92Å
599	N	95.2	Very high	95.1	Very high	19 Å²	19	64.8 Å²	64.8	10%	0.102	34%	0.341	C	S	.	.			trans	-74	110	-173.9	-175.2	-12.6	0	0	0	112.3	F601 I602 E681 V684	N599-F601 VanDerWaalsContact C-N 3.33Å; N599-F601 PolarHBondContact O-N 2.94Å; N599-F601 WeakPolarHBondContact OD1-CB 3.48Å; N599-F601 PolarHBondContact OD1-N 2.65Å; N599-I602 HydrophobicContact CB-CD1 3.96Å; N599-I602 HydrophobicContact CB-CG1 3.97Å; N599-E681 VanDerWaalsContact CG-O 3.3Å; N599-E681 PolarHBondContact ND2-O 3.09Å; N599-E681 PolarHBondContact OD1-O 3.43Å; N599-E681 VanDerWaalsContact OD1-O 3.08Å; N599-V684 WeakPolarHBondContact ND2-CG2 3.44Å
600	R	94.4	Very high	95	Very high	163 Å²	163	70.4 Å²	70.4	62%	0.615	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-13.4	179.3	64.3	-171.6	145.7	154.9	0.9	115.6	E598 E681 K708	E598-R600 PolarHBondContact O-N 2.92Å; R600-E681 IonicContact CZ-OE2 2.97Å; R600-E681 VanDerWaalsContact CZ-OE2 3.26Å; R600-E681 IonicContact NE-OE2 2.68Å; R600-E681 PolarHBondContact NE-OE2 2.87Å; R600-E681 IonicContact NH2-OE2 2.81Å; R600-E681 PolarHBondContact NH2-OE2 2.88Å; R600-K708 WeakPolarHBondContact O-CE 3.45Å
601	F	96.1	Very high	94.8	Very high	8 Å²	8	71.3 Å²	71.3	4%	0.035	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-7.8	-179.7	-71.9	-87.6	0	0	0	113.3	N599 A603 E681 A682 A685 L687 K708 L711 L712	N599-F601 VanDerWaalsContact C-N 3.33Å; N599-F601 PolarHBondContact O-N 2.94Å; N599-F601 WeakPolarHBondContact OD1-CB 3.48Å; N599-F601 PolarHBondContact OD1-N 2.65Å; F601-A603 PolarHBondContact O-N 2.99Å; F601-E681 HydrophobicContact CD2-CB 3.62Å; F601-E681 HydrophobicContact CE2-CB 4.05Å; F601-A682 HydrophobicContact CB-CB 4.22Å; F601-A682 HydrophobicContact CD1-CB 3.52Å; F601-A682 HydrophobicContact CD2-CB 3.97Å; F601-A682 HydrophobicContact CE1-CB 3.69Å; F601-A682 HydrophobicContact CE2-CB 4.12Å; F601-A682 HydrophobicContact CG-CB 3.66Å; F601-A682 HydrophobicContact CZ-CB 3.98Å; F601-A685 VanDerWaalsContact C-CB 3.47Å; F601-A685 HydrophobicContact CB-CB 3.68Å; F601-L687 HydrophobicContact CB-CD1 3.84Å; F601-L687 HydrophobicContact CD1-CD1 3.7Å; F601-L687 HydrophobicContact CG-CD1 4.21Å; F601-K708 HydrophobicContact CD1-CB 4.41Å; F601-K708 WeakPolarHBondContact O-CG 3.38Å; F601-L711 HydrophobicContact CE1-CB 3.87Å; F601-L712 HydrophobicContact CE1-CB 4.38Å
602	I	95.9	Very high	94.7	Very high	22 Å²	22	69.3 Å²	69.3	11%	0.113	35%	0.353	C	S	.	.	S	Bend	trans	-56.2	125.6	172.2	-60.9	176.8	0	0	0	109.6	E483 I487 N599 A685 K708	E483-I602 HydrophobicContact CB-CD1 4.09Å; E483-I602 HydrophobicContact CG-CD1 3.97Å; I487-I602 HydrophobicContact CD1-CD1 4.09Å; I487-I602 HydrophobicContact CD1-CG1 4.2Å; I487-I602 HydrophobicContact CG1-CD1 4.3Å; I487-I602 HydrophobicContact CG1-CG1 4.2Å; N599-I602 HydrophobicContact CB-CD1 3.96Å; N599-I602 HydrophobicContact CB-CG1 3.97Å; I602-A685 HydrophobicContact CG1-CB 4.38Å; I602-K708 WeakPolarHBondContact O-CE 3.4Å
603	A	95.1	Very high	94.4	Very high	4 Å²	4	66.7 Å²	66.7	3%	0.033	34%	0.342	C	S	.	.			trans	-73	129.7	-178.3	0	0	0	0	0	111.4	F601 F606 F705	F601-A603 PolarHBondContact O-N 2.99Å; A603-F606 HydrophobicContact CB-CE1 3.69Å; A603-F606 HydrophobicContact CB-CZ 3.81Å; A603-F606 VanDerWaalsContact O-CZ 3.22Å; A603-F606 WeakPolarHBondContact O-CZ 3.26Å; A603-F705 HydrophobicContact CB-CB 3.67Å; A603-F705 HydrophobicContact CB-CD2 3.95Å; A603-F705 HydrophobicContact CB-CG 3.83Å
604	T	94.3	Very high	94	Very high	112 Å²	112	71.7 Å²	71.7	69%	0.687	38%	0.375	S	S	*	.			trans	-124.6	2.6	175.9	57.8	0	0	0	0	114	H707	T604-H707 PolarHBondContact N-ND1 2.78Å; T604-H707 PolarHBondContact OG1-CE1 3.43Å
605	D	94.7	Very high	93.5	Very high	60 Å²	60	72.7 Å²	72.7	32%	0.321	38%	0.383	S	S	.	.			trans	-128.6	118	176.2	-178.1	11.3	0	0	0	108.3	N607 H707	D605-N607 WeakPolarHBondContact OD1-CB 3.38Å; D605-N607 PolarHBondContact OD1-N 2.87Å; D605-N607 PolarHBondContact OD1-ND2 3.49Å; D605-H707 HydrophobicContact CB-CB 4.27Å; D605-H707 PolarHBondContact N-ND1 2.74Å
606	F	94.6	Very high	93.2	Very high	45 Å²	45	72.8 Å²	72.8	20%	0.197	39%	0.387	C	S	.	.			trans	-120.5	18.9	-178.3	-55.5	-76.5	0	0	0	111.3	N490 Y494 A603 L608 P641 F705	N490-F606 HydrophobicContact CB-CZ 4.26Å; N490-F606 VanDerWaalsContact OD1-CZ 3.24Å; N490-F606 WeakPolarHBondContact OD1-CZ 3.4Å; Y494-F606 AromaticContact CD2-CD1 3.88Å; Y494-F606 HydrophobicContact CD2-CD1 3.88Å; Y494-F606 HydrophobicContact CD2-CE1 4.02Å; Y494-F606 HydrophobicContact CD2-CG 4.48Å; Y494-F606 HydrophobicContact CE2-CB 4.11Å; Y494-F606 AromaticContact CE2-CD1 3.36Å; Y494-F606 HydrophobicContact CE2-CD1 3.36Å; Y494-F606 HydrophobicContact CE2-CD2 4.02Å; Y494-F606 AromaticContact CE2-CE1 3.68Å; Y494-F606 HydrophobicContact CE2-CE1 3.68Å; Y494-F606 HydrophobicContact CE2-CE2 4.29Å; Y494-F606 AromaticContact CE2-CG 3.55Å; Y494-F606 HydrophobicContact CE2-CG 3.55Å; Y494-F606 HydrophobicContact CE2-CZ 4.13Å; Y494-F606 AromaticContact CZ-CD1 3.97Å; Y494-F606 AromaticContact CZ-CG 3.76Å; Y494-F606 WeakPolarHBondContact OH-CB 3.49Å; A603-F606 HydrophobicContact CB-CE1 3.69Å; A603-F606 HydrophobicContact CB-CZ 3.81Å; A603-F606 VanDerWaalsContact O-CZ 3.22Å; A603-F606 WeakPolarHBondContact O-CZ 3.26Å; F606-L608 PolarHBondContact O-N 3.11Å; F606-P641 HydrophobicContact CB-CB 3.9Å; F606-P641 HydrophobicContact CB-CG 4.07Å; F606-P641 HydrophobicContact CD1-CB 4Å; F606-P641 HydrophobicContact CD1-CG 3.8Å; F606-P641 HydrophobicContact CG-CB 4.47Å; F606-P641 HydrophobicContact CG-CG 4.41Å; F606-F705 AromaticContact CD1-CD1 3.92Å; F606-F705 HydrophobicContact CD1-CD1 3.92Å; F606-F705 HydrophobicContact CD1-CE1 4.02Å; F606-F705 AromaticContact CE1-CD1 3.68Å; F606-F705 HydrophobicContact CE1-CD1 3.68Å; F606-F705 AromaticContact CE1-CE1 3.69Å; F606-F705 HydrophobicContact CE1-CE1 3.69Å; F606-F705 HydrophobicContact CE1-CG 4.15Å; F606-F705 HydrophobicContact CE1-CZ 4.14Å
607	N	94.9	Very high	92.9	Very high	119 Å²	119	79.2 Å²	79.2	64%	0.636	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-70.5	130.2	-179.1	-72.7	-70.7	0	0	0	111.7	D605 K609 N803	D605-N607 WeakPolarHBondContact OD1-CB 3.38Å; D605-N607 PolarHBondContact OD1-N 2.87Å; D605-N607 PolarHBondContact OD1-ND2 3.49Å; N607-K609 PolarHBondContact O-N 3.04Å; N607-N803 PolarHBondContact O-ND2 3.28Å
608	L	94	Very high	92.9	Very high	91 Å²	91	78.6 Å²	78.6	48%	0.476	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-72.2	117.2	172.2	-57	-179.7	0	0	0	110.2	F606 K639	F606-L608 PolarHBondContact O-N 3.11Å; L608-K639 HydrophobicContact CD1-CB 3.91Å; L608-K639 WeakPolarHBondContact CD1-O 3.22Å; L608-K639 WeakPolarHBondContact CD2-O 3.41Å
609	K	93.7	Very high	92.9	Very high	53 Å²	53	71.7 Å²	71.7	23%	0.23	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-73.8	139.1	179.2	-57.2	-172.3	-167.8	-178.3	0	110.1	N607 K634 N706 N803 T805 E808	N607-K609 PolarHBondContact O-N 3.04Å; K609-K634 WeakPolarHBondContact O-CE 3.44Å; K609-K634 PolarHBondContact O-NZ 3.33Å; K609-N706 WeakPolarHBondContact CE-ND2 3.34Å; K609-N803 PolarHBondContact N-OD1 3.3Å; K609-T805 HydrophobicContact CB-CG2 4.33Å; K609-T805 HydrophobicContact CD-CG2 4.35Å; K609-E808 WeakPolarHBondContact CD-OE2 3.46Å; K609-E808 IonicContact NZ-OE1 3.16Å; K609-E808 PolarHBondContact NZ-OE1 3.44Å; K609-E808 IonicContact NZ-OE2 3.94Å; K609-E808 PolarHBondContact NZ-OE2 3.4Å
610	K	91.9	Very high	92.9	Very high	188 Å²	188	73.5 Å²	73.5	82%	0.817	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-72.6	147.5	173.3	-63.5	-177.5	179.4	-178.4	0	110.6
611	S	89.8	Confident	93	Very high	40 Å²	40	72.6 Å²	72.6	28%	0.28	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-64.2	138.5	172.2	-157.7	0	0	0	0	110.9	C613 D615	S611-C613 PolarHBondContact OG-O 3.05Å; S611-D615 WeakPolarHBondContact CB-OD1 3.47Å; S611-D615 PolarHBondContact OG-OD1 3.14Å
612	D	93.3	Very high	93	Very high	76 Å²	76	74.5 Å²	74.5	41%	0.406	39%	0.388	S	S	.	.	S	Bend	trans	-104.2	-6	176.3	61.7	-37.4	0	0	0	112.6	T805 S806 A807	D612-T805 WeakPolarHBondContact OD1-CB 3.47Å; D612-S806 PolarHBondContact OD1-N 3.26Å; D612-S806 PolarHBondContact OD1-OG 3.26Å; D612-S806 PolarHBondContact OD2-N 3.04Å; D612-S806 PolarHBondContact OD2-OG 3.44Å; D612-A807 PolarHBondContact OD2-N 3.3Å
613	C	89.1	Confident	93	Very high	37 Å²	37	75 Å²	75	25%	0.25	39%	0.391	C	S	.	.	S	Bend	trans	-126.8	171.1	173.8	65.9	0	0	0	0	110.7	S611 D615	S611-C613 PolarHBondContact OG-O 3.05Å; C613-D615 PolarHBondContact O-N 3.42Å
614	P	89.2	Confident	92.9	Very high	118 Å²	118	77.9 Å²	77.9	77%	0.766	41%	0.414	S	S	*	.			trans	-63.4	134.1	172	-19.5	33.1	0	0	0	110.8
615	D	86.9	Confident	92.7	Very high	105 Å²	105	75.8 Å²	75.8	56%	0.561	40%	0.398	S	S	*	.			trans	-62.5	137.8	177.5	-61.4	-51.6	0	0	0	111.3	S611 C613 N636	S611-D615 WeakPolarHBondContact CB-OD1 3.47Å; S611-D615 PolarHBondContact OG-OD1 3.14Å; C613-D615 PolarHBondContact O-N 3.42Å; D615-N636 VanDerWaalsContact CG-ND2 3.25Å; D615-N636 PolarHBondContact OD1-ND2 3.39Å
616	S	90.2	Very high	92.4	Very high	38 Å²	38	80.4 Å²	80.4	27%	0.266	42%	0.418	S	S	.	.			trans	-125.6	145.4	178.2	62.9	0	0	0	0	111	F618	S616-F618 WeakPolarHBondContact CB-O 3.44Å; S616-F618 PolarHBondContact OG-O 3.12Å
617	E	89.6	Confident	92.1	Very high	148 Å²	148	81.2 Å²	81.2	69%	0.692	42%	0.422	S	S	*	.	S	Bend	trans	-68.4	-38.6	175.4	-176.1	175.6	-168.3	0	0	111.7	K633	E617-K633 WeakPolarHBondContact O-CE 3.08Å; E617-K633 PolarHBondContact O-NZ 2.85Å
618	F	93.4	Very high	92	Very high	53 Å²	53	75.6 Å²	75.6	23%	0.232	39%	0.392	C	S	.	.	S	Bend	trans	-114	161.5	179.9	-57.8	-66.4	0	0	0	111.6	S616 V620 F989 D990	S616-F618 WeakPolarHBondContact CB-O 3.44Å; S616-F618 PolarHBondContact OG-O 3.12Å; F618-V620 PolarHBondContact O-N 2.86Å; F618-F989 HydrophobicContact CB-CB 3.72Å; F618-F989 HydrophobicContact CB-CD2 4.3Å; F618-F989 HydrophobicContact CB-CG 4.18Å; F618-F989 HydrophobicContact CD1-CB 3.42Å; F618-F989 VanDerWaalsContact CD1-CB 3.42Å; F618-F989 HydrophobicContact CE1-CB 4.22Å; F618-F989 VanDerWaalsContact CE1-O 3.27Å; F618-F989 WeakPolarHBondContact CE1-O 3.28Å; F618-F989 HydrophobicContact CG-CB 3.69Å; F618-D990 HydrophobicContact CE1-CB 4.38Å; F618-D990 HydrophobicContact CE2-CB 4.03Å; F618-D990 HydrophobicContact CZ-CB 3.79Å
619	P	95.5	Very high	92	Very high	6 Å²	6	71.3 Å²	71.3	4%	0.039	37%	0.37	C	S	.	.			trans	-56	136.3	173.2	-23.3	32.8	0	0	0	112.8	W631 Y632 K633 L799 N978 F989	P619-W631 HydrophobicContact CB-CB 4.31Å; P619-W631 HydrophobicContact CB-CE3 4.35Å; P619-Y632 WeakPolarHBondContact CA-O 3.46Å; P619-K633 HydrophobicContact CB-CB 4.46Å; P619-K633 HydrophobicContact CG-CB 4.35Å; P619-K633 HydrophobicContact CG-CD 4.45Å; P619-L799 HydrophobicContact CB-CD1 3.97Å; P619-L799 HydrophobicContact CG-CD1 4.12Å; P619-N978 WeakPolarHBondContact CD-OD1 3.29Å; P619-N978 HydrophobicContact CG-CB 3.73Å; P619-N978 VanDerWaalsContact CG-CG 3.42Å; P619-F989 HydrophobicContact CB-CE1 4.05Å; P619-F989 HydrophobicContact CB-CE2 4.42Å; P619-F989 HydrophobicContact CB-CZ 3.98Å; P619-F989 HydrophobicContact CG-CD1 3.88Å; P619-F989 HydrophobicContact CG-CE1 3.71Å; P619-F989 HydrophobicContact CG-CG 4.45Å; P619-F989 HydrophobicContact CG-CZ 4.16Å
620	V	95.1	Very high	92.2	Very high	58 Å²	58	68.8 Å²	68.8	35%	0.352	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	137.7	176.4	-71.6	0	0	0	0	110.3	F618 I622 W631 Y632	F618-V620 PolarHBondContact O-N 2.86Å; V620-I622 HydrophobicContact CG2-CG2 4.01Å; V620-I622 PolarHBondContact O-N 2.99Å; V620-I622 VanDerWaalsContact O-N 3.15Å; V620-W631 WeakPolarHBondContact O-CA 3.31Å; V620-Y632 WeakPolarHBondContact CG2-O 3.26Å; V620-Y632 PolarHBondContact N-O 2.83Å; V620-Y632 PolarHBondContact O-N 3.14Å
621	R	95.8	Very high	92.5	Very high	144 Å²	144	61 Å²	61	54%	0.543	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	102.9	175.9	-171.1	171.2	63.4	-169.7	-1.3	109.9	L623 L630 W631	R621-L623 WeakPolarHBondContact CG-O 3.48Å; R621-L630 CarbonylContact C-O 3.59Å; R621-L630 WeakPolarHBondContact CA-O 3.44Å; R621-W631 HydrophobicContact CB-CD2 3.97Å; R621-W631 HydrophobicContact CB-CE3 3.81Å; R621-W631 HydrophobicContact CB-CH2 3.97Å; R621-W631 HydrophobicContact CB-CZ2 4.1Å; R621-W631 HydrophobicContact CB-CZ3 3.81Å; R621-W631 HydrophobicContact CG-CD2 4.48Å; R621-W631 HydrophobicContact CG-CZ2 4.5Å
622	I	95.8	Very high	92.9	Very high	48 Å²	48	59.3 Å²	59.3	25%	0.246	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	-20.5	-176.4	58.7	166.5	0	0	0	113.5	V620 L630 Y632 S806 I810	V620-I622 HydrophobicContact CG2-CG2 4.01Å; V620-I622 PolarHBondContact O-N 2.99Å; V620-I622 VanDerWaalsContact O-N 3.15Å; I622-L630 HydrophobicContact CD1-CD2 3.94Å; I622-L630 HydrophobicContact CD1-CG 4.45Å; I622-L630 HydrophobicContact CG1-CB 4.41Å; I622-L630 HydrophobicContact CG1-CD2 4.12Å; I622-L630 HydrophobicContact CG1-CG 4.24Å; I622-L630 PolarHBondContact N-O 3.02Å; I622-Y632 VanDerWaalsContact CD1-CB 3.47Å; I622-Y632 HydrophobicContact CD1-CG 4Å; I622-Y632 HydrophobicContact CG2-CD1 4.35Å; I622-S806 WeakPolarHBondContact CD1-O 3.37Å; I622-I810 HydrophobicContact CD1-CD1 4.28Å; I622-I810 HydrophobicContact CD1-CG1 3.89Å; I622-I810 HydrophobicContact CG1-CG1 4.39Å
623	L	95.3	Very high	93	Very high	33 Å²	33	56.3 Å²	56.3	17%	0.173	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	139.7	175.3	-174.2	56.9	0	0	0	110.7	R621 L625 A629 L630 I810 L813	R621-L623 WeakPolarHBondContact CG-O 3.48Å; L623-L625 HydrophobicContact CD1-CD2 4.01Å; L623-L625 HydrophobicContact CD1-CG 4.16Å; L623-L625 HydrophobicContact CD2-CD1 4.27Å; L623-L625 HydrophobicContact CD2-CG 4.45Å; L623-L625 HydrophobicContact CG-CD1 4.49Å; L623-L625 HydrophobicContact CG-CG 4.14Å; L623-A629 WeakPolarHBondContact O-CA 3.43Å; L623-L630 HydrophobicContact CB-CB 4.05Å; L623-L630 PolarHBondContact N-O 3.41Å; L623-L630 PolarHBondContact O-N 3.36Å; L623-I810 HydrophobicContact CB-CG1 4.39Å; L623-I810 HydrophobicContact CD2-CG1 4.42Å; L623-I810 HydrophobicContact CD2-CG2 4.16Å; L623-L813 HydrophobicContact CD2-CD2 4.01Å; L623-L813 HydrophobicContact CD2-CG 4.45Å; L623-L813 HydrophobicContact CG-CD2 4.35Å
624	A	93.3	Very high	93.3	Very high	63 Å²	63	55.2 Å²	55.2	52%	0.521	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	119.9	171.7	0	0	0	0	0	108.5
625	L	90	Very high	93.4	Very high	69 Å²	69	50 Å²	50	36%	0.361	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	169.7	177.3	-59.1	176.9	0	0	0	108.4	L623 Q627 G628 T817	L623-L625 HydrophobicContact CD1-CD2 4.01Å; L623-L625 HydrophobicContact CD1-CG 4.16Å; L623-L625 HydrophobicContact CD2-CD1 4.27Å; L623-L625 HydrophobicContact CD2-CG 4.45Å; L623-L625 HydrophobicContact CG-CD1 4.49Å; L623-L625 HydrophobicContact CG-CG 4.14Å; L625-Q627 PolarHBondContact O-N 3.48Å; L625-G628 PolarHBondContact N-O 3.27Å; L625-G628 PolarHBondContact O-N 3.42Å; L625-G628 VanDerWaalsContact O-O 3.11Å; L625-T817 HydrophobicContact CD1-CG2 4.41Å
626	E	88.4	Confident	93.3	Very high	156 Å²	156	48.4 Å²	48.4	73%	0.729	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-35.6	169.7	-63.7	-177.1	167.9	0	0	110.5	P824	E626-P824 HydrophobicContact CB-CG 4.25Å; E626-P824 WeakPolarHBondContact O-CB 3.17Å
627	Q	89.9	Confident	93.1	Very high	63 Å²	63	48.1 Å²	48.1	29%	0.294	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-13.5	179.5	-66.1	88.5	-12.7	0	0	115.4	L625 Y795 A796 T817 F822	L625-Q627 PolarHBondContact O-N 3.48Å; Q627-Y795 WeakPolarHBondContact O-CA 3.24Å; Q627-A796 PolarHBondContact O-N 2.93Å; Q627-T817 HydrophobicContact CB-CG2 4.04Å; Q627-F822 HydrophobicContact CB-CD2 4.39Å; Q627-F822 HydrophobicContact CB-CE2 3.66Å; Q627-F822 HydrophobicContact CB-CZ 4.25Å; Q627-F822 HydrophobicContact CG-CD2 4.41Å; Q627-F822 HydrophobicContact CG-CE2 4.14Å; Q627-F822 WeakPolarHBondContact O-CE2 3.44Å
628	G	91.6	Very high	93	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.9	174	-170.3	0	0	0	0	0	116.3	L625 Y795 A796	L625-G628 PolarHBondContact N-O 3.27Å; L625-G628 PolarHBondContact O-N 3.42Å; L625-G628 VanDerWaalsContact O-O 3.11Å; G628-Y795 VanDerWaalsContact CA-CE2 3.48Å; G628-A796 CarbonylContact C-O 3.54Å; G628-A796 WeakPolarHBondContact CA-O 3.47Å
629	A	95.1	Very high	92.8	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.008	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	150.5	179.4	0	0	0	0	0	111.6	L623 A796 E797 G798	L623-A629 WeakPolarHBondContact O-CA 3.43Å; A629-A796 PolarHBondContact N-O 2.95Å; A629-E797 WeakPolarHBondContact O-CA 3.22Å; A629-G798 PolarHBondContact O-N 2.85Å
630	L	97.4	Very high	92.5	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	123.1	177.2	-171	67.4	0	0	0	111.4	R621 I622 L623 F647 V800 S809 I810 L813	R621-L630 CarbonylContact C-O 3.59Å; R621-L630 WeakPolarHBondContact CA-O 3.44Å; I622-L630 HydrophobicContact CD1-CD2 3.94Å; I622-L630 HydrophobicContact CD1-CG 4.45Å; I622-L630 HydrophobicContact CG1-CB 4.41Å; I622-L630 HydrophobicContact CG1-CD2 4.12Å; I622-L630 HydrophobicContact CG1-CG 4.24Å; I622-L630 PolarHBondContact N-O 3.02Å; L623-L630 HydrophobicContact CB-CB 4.05Å; L623-L630 PolarHBondContact N-O 3.41Å; L623-L630 PolarHBondContact O-N 3.36Å; L630-F647 HydrophobicContact CD1-CE1 4.06Å; L630-F647 HydrophobicContact CD1-CZ 3.93Å; L630-V800 HydrophobicContact CD1-CG2 4.04Å; L630-S809 VanDerWaalsContact CD2-C 3.43Å; L630-S809 WeakPolarHBondContact CD2-O 3.48Å; L630-I810 HydrophobicContact CD2-CG1 4.43Å; L630-L813 HydrophobicContact CB-CD2 3.92Å; L630-L813 HydrophobicContact CD2-CB 4.43Å
631	W	97.9	Very high	92.5	Very high	26 Å²	26	45 Å²	45	10%	0.098	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	142.4	170.2	-61	90	0	0	0	109.9	P619 V620 R621 E797 G798 L799 V800 V982 Y987 F989	P619-W631 HydrophobicContact CB-CB 4.31Å; P619-W631 HydrophobicContact CB-CE3 4.35Å; V620-W631 WeakPolarHBondContact O-CA 3.31Å; R621-W631 HydrophobicContact CB-CD2 3.97Å; R621-W631 HydrophobicContact CB-CE3 3.81Å; R621-W631 HydrophobicContact CB-CH2 3.97Å; R621-W631 HydrophobicContact CB-CZ2 4.1Å; R621-W631 HydrophobicContact CB-CZ3 3.81Å; R621-W631 HydrophobicContact CG-CD2 4.48Å; R621-W631 HydrophobicContact CG-CZ2 4.5Å; W631-E797 PolarHBondContact NE1-OE1 2.88Å; W631-G798 PolarHBondContact N-O 3.03Å; W631-L799 HydrophobicContact CB-CD1 3.83Å; W631-L799 WeakPolarHBondContact O-CA 3.34Å; W631-V800 PolarHBondContact O-N 3.21Å; W631-V982 HydrophobicContact CB-CG2 4.22Å; W631-V982 HydrophobicContact CD2-CG2 4.28Å; W631-V982 HydrophobicContact CG-CG1 4.48Å; W631-V982 HydrophobicContact CG-CG2 3.81Å; W631-Y987 AromaticContact CE2-CD1 3.79Å; W631-Y987 AromaticContact CE2-CE1 3.73Å; W631-Y987 AromaticContact CH2-CD1 3.9Å; W631-Y987 HydrophobicContact CH2-CD1 3.9Å; W631-Y987 HydrophobicContact CH2-CE1 4.45Å; W631-Y987 HydrophobicContact CH2-CG 4.18Å; W631-Y987 AromaticContact CZ2-CD1 3.28Å; W631-Y987 HydrophobicContact CZ2-CD1 3.28Å; W631-Y987 AromaticContact CZ2-CE1 3.43Å; W631-Y987 HydrophobicContact CZ2-CE1 3.43Å; W631-Y987 VanDerWaalsContact CZ2-CE1 3.43Å; W631-Y987 AromaticContact CZ2-CG 3.9Å; W631-Y987 HydrophobicContact CZ2-CG 3.9Å; W631-Y987 AromaticContact NE1-CE1 3.66Å; W631-F989 HydrophobicContact CD2-CZ 4.26Å; W631-F989 AromaticContact CE3-CE2 3.93Å; W631-F989 HydrophobicContact CE3-CE2 3.93Å; W631-F989 AromaticContact CE3-CZ 3.84Å; W631-F989 HydrophobicContact CE3-CZ 3.84Å; W631-F989 HydrophobicContact CH2-CE2 4.17Å; W631-F989 HydrophobicContact CH2-CZ 4.49Å; W631-F989 AromaticContact CZ3-CE2 3.62Å; W631-F989 HydrophobicContact CZ3-CE2 3.62Å; W631-F989 AromaticContact CZ3-CZ 3.98Å; W631-F989 HydrophobicContact CZ3-CZ 3.98Å
632	Y	97.5	Very high	92.5	Very high	3 Å²	3	39.4 Å²	39.4	1%	0.012	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	142.1	-179.2	169.4	-99	0	0	0	111.7	P619 V620 I622 K634 V800 F804 S809	P619-Y632 WeakPolarHBondContact CA-O 3.46Å; V620-Y632 WeakPolarHBondContact CG2-O 3.26Å; V620-Y632 PolarHBondContact N-O 2.83Å; V620-Y632 PolarHBondContact O-N 3.14Å; I622-Y632 VanDerWaalsContact CD1-CB 3.47Å; I622-Y632 HydrophobicContact CD1-CG 4Å; I622-Y632 HydrophobicContact CG2-CD1 4.35Å; Y632-K634 HydrophobicContact CE1-CB 4.34Å; Y632-V800 VanDerWaalsContact CA-O 3.31Å; Y632-V800 WeakPolarHBondContact CA-O 3.43Å; Y632-V800 HydrophobicContact CD2-CB 4.46Å; Y632-V800 WeakPolarHBondContact CD2-O 3.34Å; Y632-F804 PolarHBondContact OH-O 3.05Å; Y632-S809 WeakPolarHBondContact CD2-OG 3.29Å; Y632-S809 WeakPolarHBondContact CE2-OG 3.35Å
633	K	96	Very high	92.6	Very high	14 Å²	14	37.1 Å²	37.1	6%	0.061	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	126.8	169	177.1	169.3	166.5	172.8	0	110.4	E617 P619 V800 Q801 G802 E974	E617-K633 WeakPolarHBondContact O-CE 3.08Å; E617-K633 PolarHBondContact O-NZ 2.85Å; P619-K633 HydrophobicContact CB-CB 4.46Å; P619-K633 HydrophobicContact CG-CB 4.35Å; P619-K633 HydrophobicContact CG-CD 4.45Å; K633-V800 PolarHBondContact N-O 2.92Å; K633-V800 VanDerWaalsContact N-O 3.08Å; K633-Q801 HydrophobicContact CB-CB 4.34Å; K633-Q801 HydrophobicContact CB-CG 4.01Å; K633-Q801 HydrophobicContact CG-CG 4.28Å; K633-Q801 VanDerWaalsContact O-CA 3.25Å; K633-Q801 WeakPolarHBondContact O-CA 3.28Å; K633-G802 PolarHBondContact O-N 3.11Å; K633-E974 WeakPolarHBondContact CE-OE1 3.11Å; K633-E974 WeakPolarHBondContact CE-OE2 3.33Å; K633-E974 IonicContact NZ-OE1 2.71Å; K633-E974 PolarHBondContact NZ-OE1 3.37Å; K633-E974 IonicContact NZ-OE2 3.99Å
634	K	94.8	Very high	92.7	Very high	14 Å²	14	36.3 Å²	36.3	6%	0.061	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	133.2	171.3	179.5	65.2	-159.5	-176.4	0	109.7	K609 Y632 N636 N803	K609-K634 WeakPolarHBondContact O-CE 3.44Å; K609-K634 PolarHBondContact O-NZ 3.33Å; Y632-K634 HydrophobicContact CE1-CB 4.34Å; K634-N636 PolarHBondContact O-N 2.96Å; K634-N636 VanDerWaalsContact O-N 3.15Å; K634-N803 PolarHBondContact NZ-OD1 3.14Å
635	D	91.4	Very high	92.9	Very high	7 Å²	7	33.3 Å²	33.3	4%	0.037	16%	0.155	C	C	.	.			trans	-69.8	110.7	163.7	169.7	33.1	0	0	0	110	K637 F638 K639 I640 G802 L971	D635-K637 PolarHBondContact OD1-N 3.48Å; D635-F638 PolarHBondContact OD1-N 2.83Å; D635-K639 PolarHBondContact OD1-N 3.23Å; D635-K639 WeakPolarHBondContact OD2-CA 3.39Å; D635-K639 PolarHBondContact OD2-N 2.79Å; D635-I640 PolarHBondContact OD2-N 3Å; D635-G802 PolarHBondContact N-O 3.39Å; D635-L971 HydrophobicContact CB-CD1 4.1Å; D635-L971 HydrophobicContact CB-CD2 4.45Å
636	N	86.1	Confident	93.3	Very high	72 Å²	72	30.4 Å²	30.4	39%	0.385	14%	0.139	S	C	.	.			trans	-114.3	-5.7	171.5	-72.4	-43.6	0	0	0	112.2	D615 K634 K639	D615-N636 VanDerWaalsContact CG-ND2 3.25Å; D615-N636 PolarHBondContact OD1-ND2 3.39Å; K634-N636 PolarHBondContact O-N 2.96Å; K634-N636 VanDerWaalsContact O-N 3.15Å; N636-K639 WeakPolarHBondContact O-CE 3.4Å
637	K	86.2	Confident	93.7	Very high	32 Å²	32	23 Å²	23	14%	0.139	11%	0.105	C	C	.	.	S	Bend	trans	-94.7	-56.1	-174.6	178.7	171	166	174.1	0	110.8	R81 D635 E967 D968	R81-K637 PolarHBondContact NH2-O 2.85Å; D635-K637 PolarHBondContact OD1-N 3.48Å; K637-E967 WeakPolarHBondContact CE-OE2 3.46Å; K637-E967 IonicContact NZ-OE2 3.74Å; K637-E967 PolarHBondContact NZ-OE2 3.38Å; K637-D968 WeakPolarHBondContact CE-O 3.44Å; K637-D968 PolarHBondContact NZ-O 3.04Å; K637-D968 IonicContact NZ-OD2 3.84Å
638	F	87.3	Confident	93.9	Very high	40 Å²	40	20.6 Å²	20.6	18%	0.175	9%	0.093	C	C	.	.	S	Bend	trans	-89.1	-33.4	-171.5	-53.4	-78.1	0	0	0	112.4	D635 I640 D968 A969 H970 L971 E974	D635-F638 PolarHBondContact OD1-N 2.83Å; F638-I640 HydrophobicContact CB-CD1 4.37Å; F638-I640 HydrophobicContact CB-CG1 4.23Å; F638-I640 PolarHBondContact O-N 2.86Å; F638-D968 HydrophobicContact CZ-CB 4.41Å; F638-D968 WeakPolarHBondContact CZ-O 3.48Å; F638-A969 WeakPolarHBondContact CE1-O 3.48Å; F638-H970 VanDerWaalsContact CE1-C 3.46Å; F638-H970 WeakPolarHBondContact CZ-O 3.27Å; F638-L971 HydrophobicContact CD2-CB 3.76Å; F638-L971 HydrophobicContact CD2-CD1 3.86Å; F638-L971 HydrophobicContact CD2-CG 4.39Å; F638-L971 HydrophobicContact CE2-CB 4.22Å; F638-L971 HydrophobicContact CE2-CD1 4.22Å; F638-L971 HydrophobicContact CG-CB 4.16Å; F638-E974 HydrophobicContact CE2-CB 4.25Å
639	K	88.3	Confident	94	Very high	135 Å²	135	20.9 Å²	20.9	59%	0.587	10%	0.095	S	C	*	.			trans	59.8	42.5	174.9	-59.1	176.2	-174.5	170.7	0	112.7	L608 D635 N636	L608-K639 HydrophobicContact CD1-CB 3.91Å; L608-K639 WeakPolarHBondContact CD1-O 3.22Å; L608-K639 WeakPolarHBondContact CD2-O 3.41Å; D635-K639 PolarHBondContact OD1-N 3.23Å; D635-K639 WeakPolarHBondContact OD2-CA 3.39Å; D635-K639 PolarHBondContact OD2-N 2.79Å; N636-K639 WeakPolarHBondContact O-CE 3.4Å
640	I	90.4	Very high	93.9	Very high	21 Å²	21	21 Å²	21	11%	0.108	10%	0.096	C	C	.	.			trans	-102.8	153.7	179.2	55.9	178.9	0	0	0	111.5	E496 D635 F638 K642 L971	E496-I640 HydrophobicContact CG-CD1 3.86Å; E496-I640 VanDerWaalsContact OE1-CD1 3.24Å; E496-I640 WeakPolarHBondContact OE1-CD1 3.31Å; D635-I640 PolarHBondContact OD2-N 3Å; F638-I640 HydrophobicContact CB-CD1 4.37Å; F638-I640 HydrophobicContact CB-CG1 4.23Å; F638-I640 PolarHBondContact O-N 2.86Å; I640-K642 HydrophobicContact CD1-CB 4Å; I640-K642 HydrophobicContact CD1-CD 4.23Å; I640-K642 HydrophobicContact CD1-CG 4.48Å; I640-K642 HydrophobicContact CG1-CB 4.12Å; I640-K642 PolarHBondContact O-N 2.85Å; I640-L971 HydrophobicContact CD1-CB 3.98Å; I640-L971 HydrophobicContact CD1-CD2 4.04Å; I640-L971 HydrophobicContact CG1-CD2 4.16Å
641	P	94.9	Very high	93.6	Very high	3 Å²	3	21.2 Å²	21.2	2%	0.019	10%	0.097	C	C	.	.	S	Bend	trans	-77.7	30.3	177.3	34.8	-37.8	0	0	0	113.1	Y494 F606 F705 N706	Y494-P641 HydrophobicContact CD1-CG 3.66Å; Y494-P641 HydrophobicContact CD2-CG 3.98Å; Y494-P641 HydrophobicContact CE1-CG 3.92Å; Y494-P641 HydrophobicContact CE2-CG 4.24Å; Y494-P641 HydrophobicContact CG-CG 3.69Å; F606-P641 HydrophobicContact CB-CB 3.9Å; F606-P641 HydrophobicContact CB-CG 4.07Å; F606-P641 HydrophobicContact CD1-CB 4Å; F606-P641 HydrophobicContact CD1-CG 3.8Å; F606-P641 HydrophobicContact CG-CB 4.47Å; F606-P641 HydrophobicContact CG-CG 4.41Å; P641-F705 HydrophobicContact CG-CD1 4.14Å; P641-F705 HydrophobicContact CG-CE1 4.1Å; P641-F705 WeakPolarHBondContact O-CA 3.49Å; P641-N706 PolarHBondContact O-N 2.86Å; P641-N706 PolarHBondContact O-OD1 2.95Å
642	K	95.2	Very high	93.1	Very high	27 Å²	27	22.1 Å²	22.1	12%	0.117	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	160.1	179.2	-69.8	179.2	172.8	171.6	0	110.6	Y494 E496 I640 G704 F705 N803	Y494-K642 WeakPolarHBondContact O-CE 3.41Å; Y494-K642 PolarHBondContact O-NZ 3.06Å; Y494-K642 VanDerWaalsContact O-NZ 3.11Å; E496-K642 HydrophobicContact CG-CD 4.46Å; E496-K642 WeakPolarHBondContact OE1-CD 3.33Å; I640-K642 HydrophobicContact CD1-CB 4Å; I640-K642 HydrophobicContact CD1-CD 4.23Å; I640-K642 HydrophobicContact CD1-CG 4.48Å; I640-K642 HydrophobicContact CG1-CB 4.12Å; I640-K642 PolarHBondContact O-N 2.85Å; K642-G704 CarbonylContact C-O 3.53Å; K642-G704 VanDerWaalsContact CA-O 3.23Å; K642-G704 WeakPolarHBondContact CA-O 3.45Å; K642-F705 HydrophobicContact CG-CD1 4.19Å; K642-F705 HydrophobicContact CG-CE1 4.34Å; K642-N803 WeakPolarHBondContact O-CB 3.48Å; K642-N803 PolarHBondContact O-N 2.85Å
643	A	96.8	Very high	92.8	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	161.4	173	0	0	0	0	0	111.2	K703 G704 N706 L709 F804	A643-K703 WeakPolarHBondContact O-CA 3.33Å; A643-G704 PolarHBondContact N-O 2.9Å; A643-G704 PolarHBondContact O-N 2.96Å; A643-N706 HydrophobicContact CB-CB 3.99Å; A643-L709 HydrophobicContact CB-CD1 4.11Å; A643-L709 VanDerWaalsContact O-CD1 3.25Å; A643-L709 WeakPolarHBondContact O-CD1 3.41Å; A643-F804 HydrophobicContact CB-CD2 3.47Å; A643-F804 VanDerWaalsContact CB-CD2 3.47Å; A643-F804 HydrophobicContact CB-CE2 3.42Å; A643-F804 VanDerWaalsContact CB-CE2 3.42Å
644	Y	97.7	Very high	92.6	Very high	17 Å²	17	23 Å²	23	7%	0.067	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	135.1	178.3	-67.7	-109.7	0	0	0	109.1	L702 K703 Q801 L971 G972 V975	Y644-L702 WeakPolarHBondContact CA-O 3.25Å; Y644-K703 HydrophobicContact CD1-CB 3.6Å; Y644-K703 HydrophobicContact CE1-CB 3.54Å; Y644-K703 HydrophobicContact CE1-CD 3.78Å; Y644-K703 HydrophobicContact CE1-CG 4.24Å; Y644-K703 HydrophobicContact CG-CB 4.15Å; Y644-Q801 PolarHBondContact N-O 2.94Å; Y644-Q801 PolarHBondContact O-N 3.03Å; Y644-L971 HydrophobicContact CD2-CD2 4Å; Y644-L971 HydrophobicContact CD2-CG 3.97Å; Y644-L971 HydrophobicContact CE2-CB 4.18Å; Y644-L971 HydrophobicContact CE2-CD2 3.91Å; Y644-L971 HydrophobicContact CE2-CG 3.77Å; Y644-G972 VanDerWaalsContact CZ-CA 3.48Å; Y644-G972 VanDerWaalsContact OH-CA 3.3Å; Y644-G972 WeakPolarHBondContact OH-CA 3.44Å; Y644-G972 PolarHBondContact OH-N 3.19Å; Y644-V975 HydrophobicContact CD1-CB 4.33Å; Y644-V975 HydrophobicContact CD1-CG1 4.21Å; Y644-V975 HydrophobicContact CD1-CG2 4.31Å; Y644-V975 HydrophobicContact CD2-CG2 3.73Å; Y644-V975 HydrophobicContact CE2-CG2 4.39Å; Y644-V975 HydrophobicContact CG-CB 4.18Å; Y644-V975 HydrophobicContact CG-CG1 4.04Å; Y644-V975 HydrophobicContact CG-CG2 3.72Å
645	I	98.2	Very high	92.3	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	120.8	176.8	-57.9	171.7	0	0	0	106.8	F647 L702 L709 L713 V800 F804 F812	I645-F647 HydrophobicContact CG2-CD2 3.8Å; I645-F647 HydrophobicContact CG2-CE2 3.55Å; I645-L702 HydrophobicContact CB-CB 4.34Å; I645-L702 HydrophobicContact CB-CD1 4.13Å; I645-L702 HydrophobicContact CG2-CD1 4.15Å; I645-L702 PolarHBondContact N-O 3.31Å; I645-L702 PolarHBondContact O-N 2.97Å; I645-L709 HydrophobicContact CD1-CB 4.06Å; I645-L713 HydrophobicContact CG2-CD1 4.4Å; I645-L713 HydrophobicContact CG2-CD2 4.45Å; I645-V800 HydrophobicContact CG1-CG1 4.46Å; I645-V800 HydrophobicContact CG2-CG2 4.34Å; I645-F804 HydrophobicContact CD1-CE2 3.91Å; I645-F804 HydrophobicContact CD1-CZ 4.31Å; I645-F804 HydrophobicContact CG1-CE2 4.14Å; I645-F812 HydrophobicContact CD1-CD2 3.98Å; I645-F812 HydrophobicContact CD1-CE2 3.47Å; I645-F812 VanDerWaalsContact CD1-CE2 3.47Å; I645-F812 HydrophobicContact CD1-CZ 3.91Å; I645-F812 HydrophobicContact CG1-CD2 4.33Å; I645-F812 HydrophobicContact CG1-CE2 3.98Å; I645-F812 HydrophobicContact CG2-CD2 4.33Å
646	R	97.7	Very high	92.2	Very high	7 Å²	7	29.9 Å²	29.9	3%	0.026	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	135	179.8	-57.3	-174.1	-177.9	-156.1	1.6	110.1	I700 R701 G798 L799 D976 W979	R646-I700 CarbonylContact C-O 3.52Å; R646-I700 WeakPolarHBondContact CA-O 3.16Å; R646-R701 HydrophobicContact CG-CG 4.25Å; R646-G798 CarbonylContact O-C 3.58Å; R646-G798 WeakPolarHBondContact O-CA 3.21Å; R646-L799 PolarHBondContact N-O 2.86Å; R646-L799 PolarHBondContact O-N 3Å; R646-D976 IonicContact CZ-OD1 3.04Å; R646-D976 IonicContact CZ-OD2 2.69Å; R646-D976 IonicContact NH1-OD1 3.24Å; R646-D976 PolarHBondContact NH1-OD1 3Å; R646-D976 IonicContact NH1-OD2 2.74Å; R646-D976 IonicContact NH2-OD1 2.6Å; R646-D976 PolarHBondContact NH2-OD1 2.9Å; R646-D976 IonicContact NH2-OD2 2.95Å; R646-D976 PolarHBondContact NH2-OD2 3.39Å; R646-W979 HydrophobicContact CB-CD2 3.77Å; R646-W979 HydrophobicContact CB-CE3 3.54Å; R646-W979 HydrophobicContact CB-CH2 3.84Å; R646-W979 HydrophobicContact CB-CZ2 4.05Å; R646-W979 HydrophobicContact CB-CZ3 3.58Å; R646-W979 HydrophobicContact CG-CD2 4.28Å; R646-W979 HydrophobicContact CG-CE3 4.38Å
647	F	96.7	Very high	92.6	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	137.3	176.1	-79.1	-82.9	0	0	0	110.7	L630 I645 V699 I700 E797 F812 L813 F816	L630-F647 HydrophobicContact CD1-CE1 4.06Å; L630-F647 HydrophobicContact CD1-CZ 3.93Å; I645-F647 HydrophobicContact CG2-CD2 3.8Å; I645-F647 HydrophobicContact CG2-CE2 3.55Å; F647-V699 CarbonylContact O-C 3.57Å; F647-V699 WeakPolarHBondContact O-CA 3.46Å; F647-I700 PolarHBondContact N-O 3.07Å; F647-I700 PolarHBondContact O-N 2.89Å; F647-E797 CarbonylContact C-O 3.55Å; F647-E797 WeakPolarHBondContact CA-O 3.12Å; F647-F812 HydrophobicContact CE2-CB 4.09Å; F647-F812 HydrophobicContact CZ-CB 3.96Å; F647-L813 HydrophobicContact CE1-CB 4.15Å; F647-L813 HydrophobicContact CE1-CD1 4.15Å; F647-L813 HydrophobicContact CZ-CB 4.37Å; F647-F816 HydrophobicContact CB-CE2 4.39Å; F647-F816 HydrophobicContact CB-CZ 4.21Å; F647-F816 HydrophobicContact CD1-CD2 4.3Å; F647-F816 HydrophobicContact CD1-CE2 4.02Å; F647-F816 HydrophobicContact CD2-CD2 4.44Å; F647-F816 AromaticContact CD2-CE2 3.5Å; F647-F816 HydrophobicContact CD2-CE2 3.5Å; F647-F816 VanDerWaalsContact CD2-CE2 3.5Å; F647-F816 AromaticContact CD2-CZ 3.98Å; F647-F816 HydrophobicContact CD2-CZ 3.98Å; F647-F816 HydrophobicContact CE1-CD2 4.18Å; F647-F816 HydrophobicContact CE1-CE2 4.15Å; F647-F816 HydrophobicContact CE2-CD2 4.31Å; F647-F816 AromaticContact CE2-CE2 3.63Å; F647-F816 HydrophobicContact CE2-CE2 3.63Å; F647-F816 HydrophobicContact CG-CD2 4.43Å; F647-F816 AromaticContact CG-CE2 3.71Å; F647-F816 HydrophobicContact CG-CE2 3.71Å; F647-F816 HydrophobicContact CG-CZ 4.02Å; F647-F816 HydrophobicContact CZ-CD2 4.19Å; F647-F816 AromaticContact CZ-CE2 3.96Å; F647-F816 HydrophobicContact CZ-CE2 3.96Å
648	H	94.5	Very high	92.9	Very high	13 Å²	13	27.2 Å²	27.2	6%	0.06	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	115.1	171.8	-171.6	-172	0	0	0	108	M698 V699 E797 W979	H648-M698 WeakPolarHBondContact CA-O 3.41Å; H648-V699 HydrophobicContact CB-CG2 3.85Å; H648-E797 PolarHBondContact N-O 3.04Å; H648-E797 PolarHBondContact O-N 3Å; H648-W979 HydrophobicContact CB-CH2 3.96Å; H648-W979 HydrophobicContact CB-CZ2 4.16Å
649	L	94.5	Very high	93.3	Very high	7 Å²	7	28.1 Å²	28.1	4%	0.037	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	93.4	177.2	-54.7	-169.5	0	0	0	108.8	G697 M698 I700 L720 L794 A796 F816	L649-G697 CarbonylContact O-C 3.58Å; L649-G697 WeakPolarHBondContact O-CA 3.29Å; L649-M698 HydrophobicContact CD1-CE 3.62Å; L649-M698 HydrophobicContact CG-CE 4.37Å; L649-M698 PolarHBondContact N-O 3.38Å; L649-M698 PolarHBondContact O-N 3.22Å; L649-I700 HydrophobicContact CD1-CD1 4.35Å; L649-L720 HydrophobicContact CD1-CD2 3.75Å; L649-L794 HydrophobicContact CB-CD2 4.5Å; L649-A796 HydrophobicContact CD2-CB 3.58Å; L649-F816 HydrophobicContact CD1-CD1 4.27Å; L649-F816 HydrophobicContact CD1-CE1 4.04Å; L649-F816 HydrophobicContact CD2-CD1 4.15Å; L649-F816 HydrophobicContact CD2-CE1 4.18Å
650	I	92.6	Very high	93.6	Very high	4 Å²	4	23 Å²	23	2%	0.021	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	133.2	-172.4	-65.7	159	0	0	0	110.3	H696 L794 Y795 V829 V831	I650-H696 CarbonylContact C-O 3.45Å; I650-H696 VanDerWaalsContact CA-O 3.3Å; I650-H696 WeakPolarHBondContact CA-O 3.42Å; I650-L794 WeakPolarHBondContact O-CA 3.49Å; I650-Y795 HydrophobicContact CD1-CD1 4.23Å; I650-Y795 PolarHBondContact N-O 2.85Å; I650-Y795 PolarHBondContact O-N 3.45Å; I650-V829 HydrophobicContact CG2-CB 4.09Å; I650-V829 HydrophobicContact CG2-CG1 4.14Å; I650-V831 HydrophobicContact CD1-CG1 3.6Å; I650-V831 HydrophobicContact CG1-CG1 4.41Å
651	S	91.7	Very high	93.7	Very high	3 Å²	3	22.2 Å²	22.2	2%	0.021	12%	0.116	C	C	.	.			trans	-145.8	131.2	174.7	-158.9	0	0	0	0	112.5	I653 H696 E793	S651-I653 VanDerWaalsContact C-N 3.33Å; S651-I653 PolarHBondContact O-N 3.1Å; S651-H696 PolarHBondContact N-O 3.05Å; S651-E793 PolarHBondContact OG-O 2.97Å
652	P	87.1	Confident	93.8	Very high	46 Å²	46	22.1 Å²	22.1	30%	0.299	12%	0.115	S	C	.	.	G	3₁₀ helix	trans	-73.1	-23.3	-176.7	29.8	-34.1	0	0	0	113.6	I654 Q655 V829	P652-I654 PolarHBondContact O-N 3.39Å; P652-I654 VanDerWaalsContact O-N 3.15Å; P652-Q655 PolarHBondContact O-N 3.35Å; P652-V829 HydrophobicContact CB-CG1 4.24Å; P652-V829 HydrophobicContact CB-CG2 3.99Å; P652-V829 HydrophobicContact CG-CG2 4.12Å
653	I	90.7	Very high	93.8	Very high	34 Å²	34	21.1 Å²	21.1	17%	0.174	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-60	-28.4	-174.5	-166.9	170.4	0	0	0	113.1	S651 Q655 E656 N660 F786 A789 L790	S651-I653 VanDerWaalsContact C-N 3.33Å; S651-I653 PolarHBondContact O-N 3.1Å; I653-Q655 VanDerWaalsContact C-N 3.34Å; I653-Q655 PolarHBondContact O-N 3.44Å; I653-E656 PolarHBondContact O-N 2.71Å; I653-N660 WeakPolarHBondContact O-CB 3.43Å; I653-N660 PolarHBondContact O-ND2 3.11Å; I653-F786 HydrophobicContact CG2-CE2 4.12Å; I653-A789 HydrophobicContact CD1-CB 3.68Å; I653-L790 HydrophobicContact CG2-CD1 4.02Å
654	I	91.5	Very high	93.8	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-56.5	-46.4	-176.5	-62.9	167.5	0	0	0	111	P652 N660 L661 F664 F786 L790	P652-I654 PolarHBondContact O-N 3.39Å; P652-I654 VanDerWaalsContact O-N 3.15Å; I654-N660 WeakPolarHBondContact O-CB 3.41Å; I654-L661 HydrophobicContact CG2-CD2 3.62Å; I654-L661 HydrophobicContact CG2-CG 4.34Å; I654-L661 PolarHBondContact O-N 2.86Å; I654-F664 HydrophobicContact CD1-CD1 4.16Å; I654-F664 HydrophobicContact CD1-CD2 4Å; I654-F664 HydrophobicContact CD1-CE1 3.98Å; I654-F664 HydrophobicContact CD1-CE2 3.85Å; I654-F664 HydrophobicContact CD1-CG 4.17Å; I654-F664 HydrophobicContact CD1-CZ 3.84Å; I654-F664 HydrophobicContact CG1-CD1 4.4Å; I654-F664 HydrophobicContact CG1-CD2 4.14Å; I654-F664 HydrophobicContact CG1-CE2 4.48Å; I654-F664 HydrophobicContact CG1-CG 4.11Å; I654-F664 HydrophobicContact CG2-CB 4.28Å; I654-F664 HydrophobicContact CG2-CD1 3.86Å; I654-F664 HydrophobicContact CG2-CE1 4.46Å; I654-F664 HydrophobicContact CG2-CG 4.13Å; I654-F786 HydrophobicContact CG1-CZ 4.37Å; I654-L790 HydrophobicContact CD1-CD1 4.22Å; I654-L790 HydrophobicContact CG1-CD1 4.15Å
655	Q	88.6	Confident	93.7	Very high	28 Å²	28	20.6 Å²	20.6	13%	0.131	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-87.9	-2.5	-172.6	-71.2	-68.4	-20.2	0	0	114.9	P652 I653 S657 E695 W765 F833	P652-Q655 PolarHBondContact O-N 3.35Å; I653-Q655 VanDerWaalsContact C-N 3.34Å; I653-Q655 PolarHBondContact O-N 3.44Å; Q655-S657 VanDerWaalsContact C-N 3.26Å; Q655-S657 PolarHBondContact O-N 2.99Å; Q655-E695 WeakPolarHBondContact CG-O 3.41Å; Q655-E695 PolarHBondContact NE2-O 2.64Å; Q655-E695 PolarHBondContact NE2-OE2 2.98Å; Q655-W765 PolarHBondContact O-NE1 3.08Å; Q655-W765 VanDerWaalsContact O-NE1 3.15Å; Q655-F833 HydrophobicContact CG-CE1 4.46Å
656	E	90	Very high	93.6	Very high	138 Å²	138	20.6 Å²	20.6	65%	0.645	11%	0.109	S	C	*	.	G	3₁₀ helix	trans	-65.6	-27.3	-177	-65.6	-172.9	158.3	0	0	113.5	I653	I653-E656 PolarHBondContact O-N 2.71Å
657	S	93.2	Very high	93.5	Very high	28 Å²	28	20.4 Å²	20.4	20%	0.196	11%	0.109	C	C	.	.			trans	-157.3	156.1	-177.7	65.2	0	0	0	0	111.9	Q655 D659 N660 L661	Q655-S657 VanDerWaalsContact C-N 3.26Å; Q655-S657 PolarHBondContact O-N 2.99Å; S657-D659 PolarHBondContact O-N 2.94Å; S657-N660 PolarHBondContact O-N 3.21Å; S657-N660 WeakPolarHBondContact OG-CB 3.27Å; S657-N660 PolarHBondContact OG-N 3.41Å; S657-N660 VanDerWaalsContact OG-N 3.09Å; S657-N660 PolarHBondContact OG-ND2 3.45Å; S657-N660 PolarHBondContact OG-OD1 3.46Å; S657-L661 PolarHBondContact O-N 3.08Å
658	P	93	Very high	93.5	Very high	21 Å²	21	20.7 Å²	20.7	14%	0.136	11%	0.11	C	C	.	.	H	α-helix	trans	-67.7	-26.6	174.9	30.1	-33.3	0	0	0	111.1	L661 V662 W765 V773	P658-L661 PolarHBondContact O-N 3.24Å; P658-V662 WeakPolarHBondContact O-CG2 3.33Å; P658-V662 PolarHBondContact O-N 2.71Å; P658-W765 HydrophobicContact CB-CB 4.43Å; P658-W765 HydrophobicContact CB-CD2 4.06Å; P658-W765 HydrophobicContact CB-CE3 3.8Å; P658-W765 HydrophobicContact CB-CG 4.33Å; P658-W765 HydrophobicContact CB-CZ3 4.45Å; P658-W765 HydrophobicContact CG-CD2 4.33Å; P658-W765 HydrophobicContact CG-CE3 3.74Å; P658-W765 HydrophobicContact CG-CZ3 3.88Å; P658-V773 HydrophobicContact CB-CG2 3.99Å; P658-V773 HydrophobicContact CG-CG2 4.14Å
659	D	95.3	Very high	93.5	Very high	59 Å²	59	22 Å²	22	32%	0.316	12%	0.117	S	C	.	.	H	α-helix	trans	-59	-48.6	169.6	-62.4	-114.3	0	0	0	111.5	S657 L661 V662 L663	S657-D659 PolarHBondContact O-N 2.94Å; D659-L661 PolarHBondContact O-N 3.46Å; D659-V662 PolarHBondContact O-N 3.17Å; D659-L663 WeakPolarHBondContact O-CB 3.46Å; D659-L663 WeakPolarHBondContact O-CG 3.21Å; D659-L663 PolarHBondContact O-N 3.43Å
660	N	95	Very high	93.5	Very high	28 Å²	28	21.6 Å²	21.6	15%	0.15	12%	0.116	C	C	.	.	H	α-helix	trans	-64.8	-38.9	178.8	-72.4	-5.3	0	0	0	112.3	I653 I654 S657 L663 F664 F786	I653-N660 WeakPolarHBondContact O-CB 3.43Å; I653-N660 PolarHBondContact O-ND2 3.11Å; I654-N660 WeakPolarHBondContact O-CB 3.41Å; S657-N660 PolarHBondContact O-N 3.21Å; S657-N660 WeakPolarHBondContact OG-CB 3.27Å; S657-N660 PolarHBondContact OG-N 3.41Å; S657-N660 VanDerWaalsContact OG-N 3.09Å; S657-N660 PolarHBondContact OG-ND2 3.45Å; S657-N660 PolarHBondContact OG-OD1 3.46Å; N660-L663 PolarHBondContact O-N 2.87Å; N660-F664 WeakPolarHBondContact O-CB 3.09Å; N660-F664 PolarHBondContact O-N 2.91Å; N660-F786 HydrophobicContact CB-CD2 4.28Å; N660-F786 HydrophobicContact CB-CE2 3.91Å
661	L	93.4	Very high	93.6	Very high	4 Å²	4	21.4 Å²	21.4	2%	0.021	12%	0.115	C	C	.	.	H	α-helix	trans	-59.6	-50.2	172.6	-87.2	169.4	0	0	0	111.9	I654 S657 P658 D659 L663 F664 D665 W765	I654-L661 HydrophobicContact CG2-CD2 3.62Å; I654-L661 HydrophobicContact CG2-CG 4.34Å; I654-L661 PolarHBondContact O-N 2.86Å; S657-L661 PolarHBondContact O-N 3.08Å; P658-L661 PolarHBondContact O-N 3.24Å; D659-L661 PolarHBondContact O-N 3.46Å; L661-L663 VanDerWaalsContact C-N 3.31Å; L661-L663 PolarHBondContact O-N 2.81Å; L661-F664 WeakPolarHBondContact O-CA 3.24Å; L661-F664 WeakPolarHBondContact O-CB 3.42Å; L661-F664 PolarHBondContact O-N 3.47Å; L661-F664 VanDerWaalsContact O-N 3.07Å; L661-D665 VanDerWaalsContact O-CG 3.22Å; L661-D665 PolarHBondContact O-N 3.27Å; L661-D665 VanDerWaalsContact O-OD2 3.09Å; L661-W765 HydrophobicContact CD1-CB 3.75Å; L661-W765 VanDerWaalsContact CD1-CD1 3.41Å; L661-W765 HydrophobicContact CD1-CG 3.84Å
662	V	95.8	Very high	93.7	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-66	-34.5	179.5	174.4	0	0	0	0	111.8	P658 D659 F664 L666 L737 Y741 K770 V773 L774 L778	P658-V662 WeakPolarHBondContact O-CG2 3.33Å; P658-V662 PolarHBondContact O-N 2.71Å; D659-V662 PolarHBondContact O-N 3.17Å; V662-F664 VanDerWaalsContact C-N 3.32Å; V662-L666 HydrophobicContact CG1-CD1 4.22Å; V662-L666 WeakPolarHBondContact O-CB 3.11Å; V662-L666 VanDerWaalsContact O-CG 3.23Å; V662-L666 WeakPolarHBondContact O-CG 3.5Å; V662-L666 PolarHBondContact O-N 3.13Å; V662-L737 HydrophobicContact CG1-CD2 4.29Å; V662-Y741 HydrophobicContact CG2-CE2 4.14Å; V662-K770 HydrophobicContact CG2-CB 3.71Å; V662-K770 HydrophobicContact CG2-CG 4.06Å; V662-V773 HydrophobicContact CB-CG1 4.12Å; V662-V773 HydrophobicContact CG1-CG1 4.24Å; V662-V773 HydrophobicContact CG2-CB 4.14Å; V662-V773 HydrophobicContact CG2-CG1 4.23Å; V662-L774 HydrophobicContact CG1-CD1 4.32Å; V662-L774 HydrophobicContact CG1-CD2 3.43Å; V662-L774 VanDerWaalsContact CG1-CD2 3.43Å; V662-L774 HydrophobicContact CG1-CG 3.7Å; V662-L778 HydrophobicContact CB-CD1 4.27Å; V662-L778 HydrophobicContact CG1-CD1 3.57Å
663	L	96.8	Very high	94	Very high	6 Å²	6	21.5 Å²	21.5	3%	0.031	11%	0.114	C	C	.	.	H	α-helix	trans	-68.9	-30.4	172.7	-68.7	170.8	0	0	0	112.3	D659 N660 L661 F667 L778 Q782 L783 F786	D659-L663 WeakPolarHBondContact O-CB 3.46Å; D659-L663 WeakPolarHBondContact O-CG 3.21Å; D659-L663 PolarHBondContact O-N 3.43Å; N660-L663 PolarHBondContact O-N 2.87Å; L661-L663 VanDerWaalsContact C-N 3.31Å; L661-L663 PolarHBondContact O-N 2.81Å; L663-F667 VanDerWaalsContact O-CB 3.23Å; L663-F667 WeakPolarHBondContact O-CB 3.41Å; L663-F667 PolarHBondContact O-N 2.97Å; L663-L778 HydrophobicContact CD2-CD1 3.87Å; L663-L778 HydrophobicContact CG-CD1 4.22Å; L663-Q782 HydrophobicContact CD1-CB 4.1Å; L663-Q782 HydrophobicContact CD2-CB 4.19Å; L663-L783 HydrophobicContact CD2-CB 4Å; L663-L783 HydrophobicContact CD2-CD1 4.48Å; L663-L783 WeakPolarHBondContact O-CD1 3.2Å; L663-F786 HydrophobicContact CB-CB 4.16Å; L663-F786 HydrophobicContact CB-CD1 3.91Å; L663-F786 HydrophobicContact CB-CD2 4.29Å; L663-F786 HydrophobicContact CB-CE1 4.46Å; L663-F786 HydrophobicContact CB-CG 3.83Å; L663-F786 HydrophobicContact CD1-CB 4.05Å; L663-F786 HydrophobicContact CD1-CG 4.41Å
664	F	96.4	Very high	94.1	Very high	2 Å²	2	22 Å²	22	1%	0.009	12%	0.117	C	C	.	.	H	α-helix	trans	-70.7	-47.9	172.6	-176.2	-119.7	0	0	0	111.6	I654 N660 L661 V662 L666 F667 I668 A693 M698 F786 L790	I654-F664 HydrophobicContact CD1-CD1 4.16Å; I654-F664 HydrophobicContact CD1-CD2 4Å; I654-F664 HydrophobicContact CD1-CE1 3.98Å; I654-F664 HydrophobicContact CD1-CE2 3.85Å; I654-F664 HydrophobicContact CD1-CG 4.17Å; I654-F664 HydrophobicContact CD1-CZ 3.84Å; I654-F664 HydrophobicContact CG1-CD1 4.4Å; I654-F664 HydrophobicContact CG1-CD2 4.14Å; I654-F664 HydrophobicContact CG1-CE2 4.48Å; I654-F664 HydrophobicContact CG1-CG 4.11Å; I654-F664 HydrophobicContact CG2-CB 4.28Å; I654-F664 HydrophobicContact CG2-CD1 3.86Å; I654-F664 HydrophobicContact CG2-CE1 4.46Å; I654-F664 HydrophobicContact CG2-CG 4.13Å; N660-F664 WeakPolarHBondContact O-CB 3.09Å; N660-F664 PolarHBondContact O-N 2.91Å; L661-F664 WeakPolarHBondContact O-CA 3.24Å; L661-F664 WeakPolarHBondContact O-CB 3.42Å; L661-F664 PolarHBondContact O-N 3.47Å; L661-F664 VanDerWaalsContact O-N 3.07Å; V662-F664 VanDerWaalsContact C-N 3.32Å; F664-L666 VanDerWaalsContact C-N 3.29Å; F664-L666 PolarHBondContact O-N 3.01Å; F664-F667 HydrophobicContact CD2-CD1 4.35Å; F664-F667 HydrophobicContact CE2-CD1 4.46Å; F664-F667 WeakPolarHBondContact O-CA 3.49Å; F664-F667 WeakPolarHBondContact O-CB 3.17Å; F664-F667 PolarHBondContact O-N 2.96Å; F664-I668 HydrophobicContact CD2-CG1 4.39Å; F664-I668 HydrophobicContact CE1-CG1 4.37Å; F664-I668 HydrophobicContact CE2-CD1 3.9Å; F664-I668 HydrophobicContact CE2-CG1 4.03Å; F664-I668 HydrophobicContact CZ-CD1 4.01Å; F664-I668 HydrophobicContact CZ-CG1 4.01Å; F664-I668 WeakPolarHBondContact O-CG1 3.45Å; F664-I668 PolarHBondContact O-N 3.46Å; F664-A693 HydrophobicContact CD1-CB 4.12Å; F664-A693 HydrophobicContact CE1-CB 3.72Å; F664-M698 HydrophobicContact CE2-CB 4.25Å; F664-M698 HydrophobicContact CZ-CB 3.96Å; F664-F786 HydrophobicContact CB-CE1 3.89Å; F664-F786 HydrophobicContact CB-CZ 3.71Å; F664-F786 HydrophobicContact CD2-CE1 4.14Å; F664-F786 HydrophobicContact CD2-CZ 4.15Å; F664-F786 HydrophobicContact CG-CZ 4.35Å; F664-L790 HydrophobicContact CD2-CD2 4.07Å; F664-L790 HydrophobicContact CE2-CD2 4.16Å
665	D	94.9	Very high	94.2	Very high	5 Å²	5	22 Å²	22	3%	0.027	12%	0.117	C	C	.	.	H	α-helix	trans	-58.8	-41.2	175.8	-60.6	-36.5	0	0	0	110.5	L661 N669 L737 Y741 K770	L661-D665 VanDerWaalsContact O-CG 3.22Å; L661-D665 PolarHBondContact O-N 3.27Å; L661-D665 VanDerWaalsContact O-OD2 3.09Å; D665-N669 VanDerWaalsContact O-CG 3.23Å; D665-N669 PolarHBondContact O-N 2.89Å; D665-N669 VanDerWaalsContact O-N 3.13Å; D665-N669 PolarHBondContact O-OD1 3.34Å; D665-L737 HydrophobicContact CB-CD1 4.35Å; D665-L737 HydrophobicContact CB-CD2 3.89Å; D665-Y741 PolarHBondContact OD2-OH 3.33Å; D665-K770 IonicContact OD1-NZ 3.16Å; D665-K770 IonicContact OD2-NZ 3.6Å; D665-K770 PolarHBondContact OD2-NZ 2.68Å
666	L	95.9	Very high	94.3	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-66.8	-36.7	171.9	-71.2	171.3	0	0	0	113.8	V662 F664 I670 F730 F733 A734 L737 L774 L778 L783	V662-L666 HydrophobicContact CG1-CD1 4.22Å; V662-L666 WeakPolarHBondContact O-CB 3.11Å; V662-L666 VanDerWaalsContact O-CG 3.23Å; V662-L666 WeakPolarHBondContact O-CG 3.5Å; V662-L666 PolarHBondContact O-N 3.13Å; F664-L666 VanDerWaalsContact C-N 3.29Å; F664-L666 PolarHBondContact O-N 3.01Å; L666-I670 WeakPolarHBondContact O-CB 3.33Å; L666-I670 WeakPolarHBondContact O-CD1 3.21Å; L666-I670 VanDerWaalsContact O-CG1 3.24Å; L666-I670 WeakPolarHBondContact O-CG1 3.47Å; L666-I670 PolarHBondContact O-N 3.09Å; L666-I670 VanDerWaalsContact O-N 3.09Å; L666-F730 HydrophobicContact CD1-CE2 3.95Å; L666-F730 HydrophobicContact CD1-CZ 4.47Å; L666-F733 HydrophobicContact CD2-CB 4.13Å; L666-A734 HydrophobicContact CD2-CB 4.41Å; L666-L737 HydrophobicContact CD2-CB 4.14Å; L666-L737 HydrophobicContact CD2-CD2 3.62Å; L666-L737 HydrophobicContact CG-CD2 3.65Å; L666-L774 HydrophobicContact CD1-CD2 4.27Å; L666-L778 HydrophobicContact CD1-CD1 4.06Å; L666-L783 HydrophobicContact CB-CD1 4.39Å
667	F	96.8	Very high	94.4	Very high	2 Å²	2	16.6 Å²	16.6	1%	0.009	9%	0.094	C	C	.	.	H	α-helix	trans	-63	-46.1	177	170.9	-100.6	0	0	0	111.3	L663 F664 L671 L720 F723 L783 F786 A787 L790	L663-F667 VanDerWaalsContact O-CB 3.23Å; L663-F667 WeakPolarHBondContact O-CB 3.41Å; L663-F667 PolarHBondContact O-N 2.97Å; F664-F667 HydrophobicContact CD2-CD1 4.35Å; F664-F667 HydrophobicContact CE2-CD1 4.46Å; F664-F667 WeakPolarHBondContact O-CA 3.49Å; F664-F667 WeakPolarHBondContact O-CB 3.17Å; F664-F667 PolarHBondContact O-N 2.96Å; F667-L671 HydrophobicContact CE1-CD2 4.31Å; F667-L671 HydrophobicContact CZ-CD2 4.44Å; F667-L671 VanDerWaalsContact O-CB 3.23Å; F667-L671 WeakPolarHBondContact O-CB 3.03Å; F667-L671 PolarHBondContact O-N 3.15Å; F667-L720 HydrophobicContact CE1-CD1 4.06Å; F667-L720 HydrophobicContact CZ-CD1 3.64Å; F667-F723 AromaticContact CD2-CD1 3.96Å; F667-F723 HydrophobicContact CD2-CD1 3.96Å; F667-F723 HydrophobicContact CD2-CD2 4.01Å; F667-F723 AromaticContact CD2-CE1 3.69Å; F667-F723 HydrophobicContact CD2-CE1 3.69Å; F667-F723 AromaticContact CD2-CE2 3.72Å; F667-F723 HydrophobicContact CD2-CE2 3.72Å; F667-F723 HydrophobicContact CD2-CG 4.13Å; F667-F723 AromaticContact CD2-CZ 3.56Å; F667-F723 HydrophobicContact CD2-CZ 3.56Å; F667-F723 HydrophobicContact CE2-CB 4.23Å; F667-F723 AromaticContact CE2-CD1 3.72Å; F667-F723 HydrophobicContact CE2-CD1 3.72Å; F667-F723 AromaticContact CE2-CD2 3.71Å; F667-F723 HydrophobicContact CE2-CD2 3.71Å; F667-F723 AromaticContact CE2-CE1 3.96Å; F667-F723 HydrophobicContact CE2-CE1 3.96Å; F667-F723 AromaticContact CE2-CE2 3.93Å; F667-F723 HydrophobicContact CE2-CE2 3.93Å; F667-F723 AromaticContact CE2-CG 3.6Å; F667-F723 HydrophobicContact CE2-CG 3.6Å; F667-F723 HydrophobicContact CE2-CZ 4.06Å; F667-F723 HydrophobicContact CG-CZ 4.49Å; F667-L783 HydrophobicContact CB-CD1 3.86Å; F667-F786 HydrophobicContact CB-CE1 4.48Å; F667-A787 HydrophobicContact CD2-CB 3.67Å; F667-A787 HydrophobicContact CE2-CB 3.7Å; F667-L790 HydrophobicContact CD1-CD2 3.91Å; F667-L790 HydrophobicContact CE1-CD2 3.71Å; F667-L790 HydrophobicContact CZ-CD2 4.15Å
668	I	95.4	Very high	94.4	Very high	6 Å²	6	17.3 Å²	17.3	3%	0.031	10%	0.098	C	C	.	.	H	α-helix	trans	-63.3	-51.1	177.9	-62	-59.2	0	0	0	110.7	F664 I670 L671 A672 L691 A693 M698	F664-I668 HydrophobicContact CD2-CG1 4.39Å; F664-I668 HydrophobicContact CE1-CG1 4.37Å; F664-I668 HydrophobicContact CE2-CD1 3.9Å; F664-I668 HydrophobicContact CE2-CG1 4.03Å; F664-I668 HydrophobicContact CZ-CD1 4.01Å; F664-I668 HydrophobicContact CZ-CG1 4.01Å; F664-I668 WeakPolarHBondContact O-CG1 3.45Å; F664-I668 PolarHBondContact O-N 3.46Å; I668-I670 VanDerWaalsContact C-N 3.3Å; I668-I670 PolarHBondContact O-N 2.98Å; I668-L671 PolarHBondContact O-N 3.39Å; I668-L671 VanDerWaalsContact O-N 3.07Å; I668-A672 PolarHBondContact O-N 3.44Å; I668-L691 HydrophobicContact CG2-CB 4.42Å; I668-L691 WeakPolarHBondContact CG2-O 2.97Å; I668-A693 HydrophobicContact CG1-CB 4.2Å; I668-M698 HydrophobicContact CD1-CB 3.97Å; I668-M698 HydrophobicContact CD1-CG 3.53Å; I668-M698 HydrophobicContact CD1-SD 3.35Å; I668-M698 WeakPolarHBondContact CD1-SD 3.39Å
669	N	93.9	Very high	94.5	Very high	40 Å²	40	16.3 Å²	16.3	21%	0.214	9%	0.091	C	C	.	.	H	α-helix	trans	-61.3	-38.3	-177.9	-66.5	10.9	0	0	0	112.4	D665 H673 F733	D665-N669 VanDerWaalsContact O-CG 3.23Å; D665-N669 PolarHBondContact O-N 2.89Å; D665-N669 VanDerWaalsContact O-N 3.13Å; D665-N669 PolarHBondContact O-OD1 3.34Å; N669-H673 WeakPolarHBondContact O-CB 3.46Å; N669-H673 PolarHBondContact O-N 3.16Å; N669-F733 HydrophobicContact CB-CD1 3.87Å; N669-F733 HydrophobicContact CB-CE1 4.21Å
670	I	95.4	Very high	94.4	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-74.4	-33.4	176.6	-67.1	166.8	0	0	0	111.6	L666 I668 H673 N674 F723 V729 F730 F733 L783	L666-I670 WeakPolarHBondContact O-CB 3.33Å; L666-I670 WeakPolarHBondContact O-CD1 3.21Å; L666-I670 VanDerWaalsContact O-CG1 3.24Å; L666-I670 WeakPolarHBondContact O-CG1 3.47Å; L666-I670 PolarHBondContact O-N 3.09Å; L666-I670 VanDerWaalsContact O-N 3.09Å; I668-I670 VanDerWaalsContact C-N 3.3Å; I668-I670 PolarHBondContact O-N 2.98Å; I670-H673 PolarHBondContact O-N 2.68Å; I670-N674 WeakPolarHBondContact O-CB 3.39Å; I670-N674 PolarHBondContact O-N 3.34Å; I670-N674 PolarHBondContact O-ND2 3.22Å; I670-F723 HydrophobicContact CB-CE2 4.16Å; I670-F723 HydrophobicContact CB-CZ 4.24Å; I670-F723 HydrophobicContact CG2-CE2 3.82Å; I670-F723 HydrophobicContact CG2-CZ 3.88Å; I670-V729 HydrophobicContact CG1-CG1 4.47Å; I670-V729 HydrophobicContact CG2-CG1 4.38Å; I670-F730 HydrophobicContact CD1-CD2 4.39Å; I670-F733 HydrophobicContact CD1-CB 4.26Å; I670-F733 HydrophobicContact CG1-CB 3.97Å; I670-F733 HydrophobicContact CG1-CD2 3.59Å; I670-F733 HydrophobicContact CG1-CE2 4.34Å; I670-F733 HydrophobicContact CG1-CG 3.88Å; I670-L783 HydrophobicContact CD1-CD2 3.61Å
671	L	95.6	Very high	94.4	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-66.8	-43.9	174.5	176.7	61.1	0	0	0	111.1	F667 I668 N674 L675 L691 M698 Q719 L720 F723	F667-L671 HydrophobicContact CE1-CD2 4.31Å; F667-L671 HydrophobicContact CZ-CD2 4.44Å; F667-L671 VanDerWaalsContact O-CB 3.23Å; F667-L671 WeakPolarHBondContact O-CB 3.03Å; F667-L671 PolarHBondContact O-N 3.15Å; I668-L671 PolarHBondContact O-N 3.39Å; I668-L671 VanDerWaalsContact O-N 3.07Å; L671-N674 PolarHBondContact O-N 3.06Å; L671-L675 HydrophobicContact CD1-CD1 4.02Å; L671-L675 HydrophobicContact CG-CD1 4.11Å; L671-L675 WeakPolarHBondContact O-CB 3.47Å; L671-L675 PolarHBondContact O-N 2.75Å; L671-L691 HydrophobicContact CD2-CD1 4.22Å; L671-L691 HydrophobicContact CG-CD1 4.06Å; L671-M698 HydrophobicContact CD2-SD 3.99Å; L671-Q719 HydrophobicContact CD1-CB 4.08Å; L671-L720 HydrophobicContact CD2-CB 4.49Å; L671-L720 HydrophobicContact CD2-CD1 3.76Å; L671-F723 HydrophobicContact CB-CD2 4.11Å; L671-F723 HydrophobicContact CB-CE2 4.1Å; L671-F723 HydrophobicContact CD1-CD2 4.2Å
672	A	93.6	Very high	94.4	Very high	21 Å²	21	15 Å²	15	17%	0.174	8%	0.081	C	C	.	.	H	α-helix	trans	-59.1	-47.1	172.9	0	0	0	0	0	111.2	I668 N674 L675 A676 L691	I668-A672 PolarHBondContact O-N 3.44Å; A672-N674 PolarHBondContact O-N 3.5Å; A672-L675 CarbonylContact O-C 3.43Å; A672-L675 WeakPolarHBondContact O-CA 3.42Å; A672-L675 PolarHBondContact O-N 3.23Å; A672-A676 PolarHBondContact O-N 3.29Å; A672-L691 HydrophobicContact CB-CD1 4.47Å
673	H	92.1	Very high	94.3	Very high	30 Å²	30	18.1 Å²	18.1	14%	0.139	10%	0.098	C	C	.	.	H	α-helix	trans	-57.5	-43.7	174.9	-179.4	79.1	0	0	0	113.9	N669 I670 L675 A676 F733	N669-H673 WeakPolarHBondContact O-CB 3.46Å; N669-H673 PolarHBondContact O-N 3.16Å; I670-H673 PolarHBondContact O-N 2.68Å; H673-L675 PolarHBondContact O-N 3.14Å; H673-A676 PolarHBondContact O-N 3.42Å; H673-F733 HydrophobicContact CB-CE2 3.62Å; H673-F733 HydrophobicContact CB-CZ 3.53Å; H673-F733 AromaticContact CD2-CE2 3.92Å; H673-F733 AromaticContact CG-CE2 3.5Å; H673-F733 VanDerWaalsContact CG-CE2 3.5Å; H673-F733 AromaticContact CG-CZ 3.65Å; H673-F733 AromaticContact ND1-CE2 3.73Å; H673-F733 AromaticContact ND1-CZ 3.64Å
674	N	93	Very high	94	Very high	44 Å²	44	18.7 Å²	18.7	24%	0.235	10%	0.102	C	C	.	.	H	α-helix	trans	-67.1	-26.6	176.6	-72.5	-12.5	0	0	0	112.2	I670 L671 A672 P678 S724	I670-N674 WeakPolarHBondContact O-CB 3.39Å; I670-N674 PolarHBondContact O-N 3.34Å; I670-N674 PolarHBondContact O-ND2 3.22Å; L671-N674 PolarHBondContact O-N 3.06Å; A672-N674 PolarHBondContact O-N 3.5Å; N674-P678 WeakPolarHBondContact O-CD 3.42Å; N674-P678 WeakPolarHBondContact O-CG 3.3Å; N674-S724 PolarHBondContact ND2-O 2.76Å
675	L	93.6	Very high	93.9	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-85.5	-28.7	177.9	-86.5	161.9	0	0	0	114	L671 A672 H673 E677 P678 A679 Y689 L691 L715 I716 Q719	L671-L675 HydrophobicContact CD1-CD1 4.02Å; L671-L675 HydrophobicContact CG-CD1 4.11Å; L671-L675 WeakPolarHBondContact O-CB 3.47Å; L671-L675 PolarHBondContact O-N 2.75Å; A672-L675 CarbonylContact O-C 3.43Å; A672-L675 WeakPolarHBondContact O-CA 3.42Å; A672-L675 PolarHBondContact O-N 3.23Å; H673-L675 PolarHBondContact O-N 3.14Å; L675-E677 PolarHBondContact O-N 3.28Å; L675-P678 WeakPolarHBondContact O-CD 3.28Å; L675-P678 VanDerWaalsContact O-CG 3.29Å; L675-P678 WeakPolarHBondContact O-CG 3.5Å; L675-A679 WeakPolarHBondContact O-CB 3.46Å; L675-A679 PolarHBondContact O-N 3.09Å; L675-Y689 HydrophobicContact CB-CE2 4.4Å; L675-L691 HydrophobicContact CD1-CD1 3.7Å; L675-L715 HydrophobicContact CD2-CD2 4.42Å; L675-L715 HydrophobicContact CD2-CG 3.93Å; L675-I716 HydrophobicContact CD1-CB 4.4Å; L675-I716 HydrophobicContact CD1-CG1 4.13Å; L675-I716 HydrophobicContact CD1-CG2 4.23Å; L675-I716 HydrophobicContact CD2-CG1 4.06Å; L675-Q719 HydrophobicContact CD1-CB 4.3Å; L675-Q719 HydrophobicContact CD2-CB 3.88Å; L675-Q719 HydrophobicContact CD2-CG 3.56Å; L675-Q719 HydrophobicContact CG-CB 3.88Å; L675-Q719 HydrophobicContact CG-CG 3.92Å
676	A	91.4	Very high	93.9	Very high	12 Å²	12	20.5 Å²	20.5	10%	0.099	11%	0.111	C	C	.	.	H	α-helix	trans	-54.8	-57.2	-172.9	0	0	0	0	0	113.3	A672 H673 A679 Y680	A672-A676 PolarHBondContact O-N 3.29Å; H673-A676 PolarHBondContact O-N 3.42Å; A676-A679 PolarHBondContact O-N 3.19Å; A676-Y680 VanDerWaalsContact O-CB 3.32Å; A676-Y680 WeakPolarHBondContact O-CB 3.36Å; A676-Y680 PolarHBondContact O-N 3.37Å
677	E	92.4	Very high	93.8	Very high	41 Å²	41	20.5 Å²	20.5	19%	0.192	11%	0.111	C	C	.	.	H	α-helix	trans	-58.2	-47.5	179.1	-177.5	174.5	158.1	0	0	113.9	T409 S414 K418 L675	T409-E677 WeakPolarHBondContact CA-OE1 3.49Å; T409-E677 WeakPolarHBondContact CB-OE1 3.44Å; T409-E677 PolarHBondContact OG1-OE1 3Å; S414-E677 WeakPolarHBondContact CB-OE2 3.16Å; S414-E677 PolarHBondContact OG-OE1 3.21Å; S414-E677 PolarHBondContact OG-OE2 3.19Å; K418-E677 WeakPolarHBondContact CE-OE2 3.28Å; K418-E677 VanDerWaalsContact NZ-CD 3.32Å; K418-E677 IonicContact NZ-OE1 3.74Å; K418-E677 PolarHBondContact NZ-OE1 3.16Å; K418-E677 IonicContact NZ-OE2 3.18Å; K418-E677 PolarHBondContact NZ-OE2 2.71Å; L675-E677 PolarHBondContact O-N 3.28Å
678	P	93.6	Very high	93.7	Very high	42 Å²	42	23.8 Å²	23.8	27%	0.273	13%	0.126	S	C	.	.	H	α-helix	trans	-78.4	-20.3	179.6	29.7	-36.8	0	0	0	115.3	N674 L675 L715	N674-P678 WeakPolarHBondContact O-CD 3.42Å; N674-P678 WeakPolarHBondContact O-CG 3.3Å; L675-P678 WeakPolarHBondContact O-CD 3.28Å; L675-P678 VanDerWaalsContact O-CG 3.29Å; L675-P678 WeakPolarHBondContact O-CG 3.5Å; P678-L715 HydrophobicContact CB-CD1 4.22Å; P678-L715 HydrophobicContact CB-CD2 4.25Å; P678-L715 WeakPolarHBondContact O-CD2 3.22Å
679	A	94.3	Very high	93.7	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-95.3	-17.8	179.8	0	0	0	0	0	113.6	L675 A676 E681 A682 D683 Y689 L712 L715	L675-A679 WeakPolarHBondContact O-CB 3.46Å; L675-A679 PolarHBondContact O-N 3.09Å; A676-A679 PolarHBondContact O-N 3.19Å; A679-E681 PolarHBondContact O-N 3.04Å; A679-E681 VanDerWaalsContact O-N 3.15Å; A679-A682 WeakPolarHBondContact O-CA 3.22Å; A679-A682 WeakPolarHBondContact O-CB 3.48Å; A679-A682 PolarHBondContact O-N 3.18Å; A679-D683 PolarHBondContact O-N 3.36Å; A679-Y689 HydrophobicContact CB-CD1 4.4Å; A679-Y689 HydrophobicContact CB-CE1 3.57Å; A679-L712 HydrophobicContact CB-CD1 4.02Å; A679-L715 HydrophobicContact CB-CD2 3.95Å
680	Y	93.9	Very high	93.7	Very high	32 Å²	32	27.9 Å²	27.9	13%	0.125	14%	0.141	C	C	.	.	H	α-helix	trans	-54.4	-35.6	-178.4	-173	-104.2	0	0	0	114.3	G405 H406 E407 A676 A682 D683 V684	G405-Y680 PolarHBondContact O-OH 2.76Å; H406-Y680 HydrophobicContact CB-CE1 4.27Å; H406-Y680 AromaticContact CD2-CE1 3.53Å; H406-Y680 AromaticContact CE1-CD1 3.94Å; H406-Y680 AromaticContact CG-CE1 3.75Å; H406-Y680 AromaticContact NE2-CD1 3.88Å; H406-Y680 AromaticContact NE2-CE1 3.8Å; E407-Y680 HydrophobicContact CB-CD1 4.19Å; E407-Y680 HydrophobicContact CB-CD2 3.54Å; E407-Y680 HydrophobicContact CB-CE1 4.47Å; E407-Y680 HydrophobicContact CB-CE2 3.87Å; E407-Y680 HydrophobicContact CB-CG 3.7Å; E407-Y680 HydrophobicContact CG-CD2 3.68Å; E407-Y680 HydrophobicContact CG-CE2 3.58Å; E407-Y680 HydrophobicContact CG-CG 4.35Å; A676-Y680 VanDerWaalsContact O-CB 3.32Å; A676-Y680 WeakPolarHBondContact O-CB 3.36Å; A676-Y680 PolarHBondContact O-N 3.37Å; Y680-A682 PolarHBondContact O-N 3.43Å; Y680-D683 PolarHBondContact O-N 3.31Å; Y680-V684 HydrophobicContact CD1-CG1 4.08Å; Y680-V684 HydrophobicContact CD2-CG1 4.31Å; Y680-V684 HydrophobicContact CE1-CG1 3.48Å; Y680-V684 VanDerWaalsContact CE1-CG1 3.48Å; Y680-V684 HydrophobicContact CE2-CG1 3.75Å; Y680-V684 HydrophobicContact CG-CG1 4.47Å; Y680-V684 WeakPolarHBondContact O-CG2 3.3Å; Y680-V684 PolarHBondContact O-N 3.11Å; Y680-V684 VanDerWaalsContact O-N 3.15Å
681	E	93.5	Very high	93.6	Very high	32 Å²	32	28.8 Å²	28.8	15%	0.15	15%	0.146	C	C	.	.	H	α-helix	trans	-60	-30.8	173.7	-66.6	-176.3	147.5	0	0	112.4	N599 R600 F601 A679 A685	N599-E681 VanDerWaalsContact CG-O 3.3Å; N599-E681 PolarHBondContact ND2-O 3.09Å; N599-E681 PolarHBondContact OD1-O 3.43Å; N599-E681 VanDerWaalsContact OD1-O 3.08Å; R600-E681 IonicContact CZ-OE2 2.97Å; R600-E681 VanDerWaalsContact CZ-OE2 3.26Å; R600-E681 IonicContact NE-OE2 2.68Å; R600-E681 PolarHBondContact NE-OE2 2.87Å; R600-E681 IonicContact NH2-OE2 2.81Å; R600-E681 PolarHBondContact NH2-OE2 2.88Å; F601-E681 HydrophobicContact CD2-CB 3.62Å; F601-E681 HydrophobicContact CE2-CB 4.05Å; A679-E681 PolarHBondContact O-N 3.04Å; A679-E681 VanDerWaalsContact O-N 3.15Å; E681-A685 VanDerWaalsContact O-CB 3.28Å; E681-A685 WeakPolarHBondContact O-CB 3.46Å
682	A	95.1	Very high	93.2	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-75.6	-44.9	176.8	0	0	0	0	0	111.5	F601 A679 Y680 A685 L687 L712	F601-A682 HydrophobicContact CB-CB 4.22Å; F601-A682 HydrophobicContact CD1-CB 3.52Å; F601-A682 HydrophobicContact CD2-CB 3.97Å; F601-A682 HydrophobicContact CE1-CB 3.69Å; F601-A682 HydrophobicContact CE2-CB 4.12Å; F601-A682 HydrophobicContact CG-CB 3.66Å; F601-A682 HydrophobicContact CZ-CB 3.98Å; A679-A682 WeakPolarHBondContact O-CA 3.22Å; A679-A682 WeakPolarHBondContact O-CB 3.48Å; A679-A682 PolarHBondContact O-N 3.18Å; Y680-A682 PolarHBondContact O-N 3.43Å; A682-A685 CarbonylContact O-C 3.55Å; A682-A685 WeakPolarHBondContact O-CA 3.35Å; A682-A685 WeakPolarHBondContact O-CB 3.44Å; A682-A685 PolarHBondContact O-N 3.17Å; A682-L687 HydrophobicContact CB-CB 4.17Å; A682-L687 HydrophobicContact CB-CD1 4.07Å; A682-L687 VanDerWaalsContact O-CB 3.25Å; A682-L687 WeakPolarHBondContact O-CB 3.41Å; A682-L687 PolarHBondContact O-N 3.43Å; A682-L687 VanDerWaalsContact O-N 3.15Å; A682-L712 HydrophobicContact CB-CD1 3.91Å; A682-L712 HydrophobicContact CB-CD2 4.03Å; A682-L712 HydrophobicContact CB-CG 4.38Å
683	D	91.9	Very high	93	Very high	66 Å²	66	28.7 Å²	28.7	35%	0.353	14%	0.143	S	C	.	.	H	α-helix	trans	-55.1	-58.9	-179.8	-172.2	58.9	0	0	0	111.4	A679 Y680 A685 Q686	A679-D683 PolarHBondContact O-N 3.36Å; Y680-D683 PolarHBondContact O-N 3.31Å; D683-A685 PolarHBondContact O-N 3.27Å; D683-Q686 PolarHBondContact O-N 3.14Å
684	V	92.3	Very high	92.6	Very high	18 Å²	18	27.4 Å²	27.4	11%	0.109	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-8.1	174.8	-52.2	0	0	0	0	114.2	W402 I487 N599 Y680	W402-V684 HydrophobicContact CH2-CB 3.7Å; W402-V684 HydrophobicContact CH2-CG1 4.46Å; W402-V684 HydrophobicContact CH2-CG2 4.34Å; W402-V684 HydrophobicContact CZ2-CB 3.67Å; W402-V684 HydrophobicContact CZ2-CG1 4.38Å; W402-V684 HydrophobicContact CZ2-CG2 3.87Å; I487-V684 WeakPolarHBondContact CD1-O 3.19Å; I487-V684 WeakPolarHBondContact CG2-O 3.47Å; N599-V684 WeakPolarHBondContact ND2-CG2 3.44Å; Y680-V684 HydrophobicContact CD1-CG1 4.08Å; Y680-V684 HydrophobicContact CD2-CG1 4.31Å; Y680-V684 HydrophobicContact CE1-CG1 3.48Å; Y680-V684 VanDerWaalsContact CE1-CG1 3.48Å; Y680-V684 HydrophobicContact CE2-CG1 3.75Å; Y680-V684 HydrophobicContact CG-CG1 4.47Å; Y680-V684 WeakPolarHBondContact O-CG2 3.3Å; Y680-V684 PolarHBondContact O-N 3.11Å; Y680-V684 VanDerWaalsContact O-N 3.15Å
685	A	94.4	Very high	92	Very high	4 Å²	4	26.3 Å²	26.3	3%	0.033	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	20.2	172.5	0	0	0	0	0	113	F601 I602 E681 A682 D683	F601-A685 VanDerWaalsContact C-CB 3.47Å; F601-A685 HydrophobicContact CB-CB 3.68Å; I602-A685 HydrophobicContact CG1-CB 4.38Å; E681-A685 VanDerWaalsContact O-CB 3.28Å; E681-A685 WeakPolarHBondContact O-CB 3.46Å; A682-A685 CarbonylContact O-C 3.55Å; A682-A685 WeakPolarHBondContact O-CA 3.35Å; A682-A685 WeakPolarHBondContact O-CB 3.44Å; A682-A685 PolarHBondContact O-N 3.17Å; D683-A685 PolarHBondContact O-N 3.27Å
686	Q	93.5	Very high	91.5	Very high	41 Å²	41	27.3 Å²	27.3	19%	0.192	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.3	46.4	179.6	-61.3	-68.8	-19.7	0	0	111.9	I487 E491 D683 G704 F705	I487-Q686 HydrophobicContact CG2-CG 3.92Å; E491-Q686 HydrophobicContact CB-CG 4.45Å; E491-Q686 PolarHBondContact OE2-NE2 3.1Å; D683-Q686 PolarHBondContact O-N 3.14Å; Q686-G704 WeakPolarHBondContact O-CA 3.34Å; Q686-F705 HydrophobicContact CB-CD2 3.99Å; Q686-F705 HydrophobicContact CB-CE2 3.8Å; Q686-F705 HydrophobicContact CG-CE2 4.48Å; Q686-F705 PolarHBondContact O-N 2.82Å
687	L	95.3	Very high	91.5	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.132	C	C	.	.			trans	-133.5	75	175.8	-50.8	167.5	0	0	0	110.4	F601 A682 K703 F705 K708 L709 L712	F601-L687 HydrophobicContact CB-CD1 3.84Å; F601-L687 HydrophobicContact CD1-CD1 3.7Å; F601-L687 HydrophobicContact CG-CD1 4.21Å; A682-L687 HydrophobicContact CB-CB 4.17Å; A682-L687 HydrophobicContact CB-CD1 4.07Å; A682-L687 VanDerWaalsContact O-CB 3.25Å; A682-L687 WeakPolarHBondContact O-CB 3.41Å; A682-L687 PolarHBondContact O-N 3.43Å; A682-L687 VanDerWaalsContact O-N 3.15Å; L687-K703 CarbonylContact C-O 3.51Å; L687-K703 WeakPolarHBondContact CA-O 2.98Å; L687-F705 HydrophobicContact CD2-CB 4.15Å; L687-F705 WeakPolarHBondContact CD2-O 3.35Å; L687-K708 HydrophobicContact CD1-CB 3.4Å; L687-K708 VanDerWaalsContact CD1-CB 3.4Å; L687-K708 HydrophobicContact CD1-CG 4.49Å; L687-K708 HydrophobicContact CD2-CB 4.17Å; L687-K708 HydrophobicContact CG-CB 4.43Å; L687-L709 HydrophobicContact CB-CD2 4.45Å; L687-L709 HydrophobicContact CD2-CD2 4.08Å; L687-L709 HydrophobicContact CD2-CG 4.1Å; L687-L712 HydrophobicContact CB-CD2 3.98Å; L687-L712 WeakPolarHBondContact O-CD2 3.23Å
688	E	93.8	Very high	91.5	Very high	70 Å²	70	25.1 Å²	25.1	33%	0.327	12%	0.124	S	C	.	.			trans	-69.1	146.1	-179.1	-61.7	164.5	-100.4	0	0	112.3	L702 K703	E688-L702 WeakPolarHBondContact O-CA 3.43Å; E688-K703 HydrophobicContact CB-CG 4Å; E688-K703 PolarHBondContact N-O 3.04Å; E688-K703 VanDerWaalsContact N-O 3.14Å; E688-K703 PolarHBondContact O-N 3Å; E688-K703 WeakPolarHBondContact OE1-CE 3.34Å; E688-K703 IonicContact OE1-NZ 3.66Å; E688-K703 PolarHBondContact OE1-NZ 2.79Å; E688-K703 WeakPolarHBondContact OE2-CE 3.48Å; E688-K703 IonicContact OE2-NZ 2.67Å; E688-K703 PolarHBondContact OE2-NZ 3.15Å
689	Y	94.8	Very high	91.6	Very high	42 Å²	42	23.1 Å²	23.1	17%	0.165	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	144.4	167.5	73.8	-76.4	0	0	0	110.6	L675 A679 L691 R701 L712 I716	L675-Y689 HydrophobicContact CB-CE2 4.4Å; A679-Y689 HydrophobicContact CB-CD1 4.4Å; A679-Y689 HydrophobicContact CB-CE1 3.57Å; Y689-L691 HydrophobicContact CD2-CG 4.24Å; Y689-L691 HydrophobicContact CE2-CD1 4.47Å; Y689-L691 HydrophobicContact CE2-CG 4.36Å; Y689-R701 CarbonylContact C-O 3.11Å; Y689-R701 VanDerWaalsContact CA-O 3.24Å; Y689-R701 WeakPolarHBondContact CA-O 3.42Å; Y689-L712 HydrophobicContact CD1-CD1 4.21Å; Y689-L712 HydrophobicContact CD1-CD2 4.28Å; Y689-I716 HydrophobicContact CD2-CD1 3.87Å; Y689-I716 HydrophobicContact CD2-CG1 4.48Å; Y689-I716 HydrophobicContact CG-CD1 3.96Å
690	K	94.1	Very high	91.7	Very high	90 Å²	90	23.1 Å²	23.1	39%	0.391	11%	0.111	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	139.2	170	-73.9	-165	167.4	-168.8	0	110.5	E131 M692 R701	E131-K690 IonicContact OE1-NZ 3.01Å; E131-K690 PolarHBondContact OE1-NZ 3.27Å; K690-M692 HydrophobicContact CB-CE 3.86Å; K690-R701 PolarHBondContact N-O 3.31Å; K690-R701 PolarHBondContact O-N 3.32Å
691	L	93.1	Very high	91.8	Very high	19 Å²	19	24.2 Å²	24.2	10%	0.099	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	101.1	175.7	-61.5	-178	0	0	0	109.6	I668 L671 A672 L675 Y689 I700 I716	I668-L691 HydrophobicContact CG2-CB 4.42Å; I668-L691 WeakPolarHBondContact CG2-O 2.97Å; L671-L691 HydrophobicContact CD2-CD1 4.22Å; L671-L691 HydrophobicContact CG-CD1 4.06Å; A672-L691 HydrophobicContact CB-CD1 4.47Å; L675-L691 HydrophobicContact CD1-CD1 3.7Å; Y689-L691 HydrophobicContact CD2-CG 4.24Å; Y689-L691 HydrophobicContact CE2-CD1 4.47Å; Y689-L691 HydrophobicContact CE2-CG 4.36Å; L691-I700 HydrophobicContact CD2-CB 4.24Å; L691-I700 HydrophobicContact CD2-CG1 3.87Å; L691-I700 HydrophobicContact CD2-CG2 3.92Å; L691-I716 HydrophobicContact CD2-CG2 4.13Å
692	M	87.9	Confident	92	Very high	10 Å²	10	22.9 Å²	22.9	5%	0.049	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	140.9	-178.8	-66.7	136.7	-74.5	0	0	112.2	E131 M133 K690 G694 V699 R701	E131-M692 HydrophobicContact CB-CG 4.44Å; M133-M692 HydrophobicContact CG-CB 3.92Å; M133-M692 HydrophobicContact CG-CG 4.25Å; M133-M692 HydrophobicContact CG-SD 4.02Å; M133-M692 HydrophobicContact SD-CB 4.41Å; M133-M692 HydrophobicContact SD-SD 4.02Å; K690-M692 HydrophobicContact CB-CE 3.86Å; M692-G694 PolarHBondContact O-N 3.06Å; M692-V699 HydrophobicContact CE-CB 4.36Å; M692-V699 HydrophobicContact CE-CG1 3.89Å; M692-V699 PolarHBondContact N-O 3.36Å; M692-V699 PolarHBondContact O-N 2.97Å; M692-R701 HydrophobicContact CE-CB 4.24Å; M692-R701 HydrophobicContact CE-CG 3.74Å
693	A	88.5	Confident	92	Very high	9 Å²	9	26.5 Å²	26.5	7%	0.074	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	105.3	162.9	0	0	0	0	0	109.6	F664 I668	F664-A693 HydrophobicContact CD1-CB 4.12Å; F664-A693 HydrophobicContact CE1-CB 3.72Å; I668-A693 HydrophobicContact CG1-CB 4.2Å
694	G	83.4	Confident	92.1	Very high	4 Å²	4	23.7 Å²	23.7	4%	0.041	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	156.9	168.6	0	0	0	0	0	111.5	M692 H696 G697	M692-G694 PolarHBondContact O-N 3.06Å; G694-H696 PolarHBondContact O-N 3.01Å; G694-H696 VanDerWaalsContact O-N 3.07Å; G694-G697 CarbonylContact C-O 3.46Å; G694-G697 WeakPolarHBondContact CA-O 3Å; G694-G697 PolarHBondContact N-O 2.82Å; G694-G697 PolarHBondContact O-N 2.94Å; G694-G697 VanDerWaalsContact O-O 3.08Å
695	E	81.1	Confident	92.3	Very high	20 Å²	20	23 Å²	23	9%	0.093	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-24.7	-177.4	-66.7	-75.1	-174	0	0	113.7	Q655 R764 F833	Q655-E695 WeakPolarHBondContact CG-O 3.41Å; Q655-E695 PolarHBondContact NE2-O 2.64Å; Q655-E695 PolarHBondContact NE2-OE2 2.98Å; E695-R764 IonicContact OE1-CZ 2.78Å; E695-R764 IonicContact OE1-NH1 2.73Å; E695-R764 PolarHBondContact OE1-NH1 3.03Å; E695-R764 IonicContact OE1-NH2 2.97Å; E695-R764 PolarHBondContact OE1-NH2 3.13Å; E695-F833 HydrophobicContact CB-CE2 3.75Å; E695-F833 HydrophobicContact CB-CZ 4.03Å; E695-F833 HydrophobicContact CG-CE2 3.71Å; E695-F833 HydrophobicContact CG-CZ 4.25Å
696	H	84	Confident	92.4	Very high	22 Å²	22	23 Å²	23	10%	0.102	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.3	7.5	-179.2	-60.1	-51.9	0	0	0	114.2	I650 S651 G694 V831 F833	I650-H696 CarbonylContact C-O 3.45Å; I650-H696 VanDerWaalsContact CA-O 3.3Å; I650-H696 WeakPolarHBondContact CA-O 3.42Å; S651-H696 PolarHBondContact N-O 3.05Å; G694-H696 PolarHBondContact O-N 3.01Å; G694-H696 VanDerWaalsContact O-N 3.07Å; H696-V831 PolarHBondContact CD2-O 2.63Å; H696-F833 AromaticContact CE1-CE1 3.94Å
697	G	90.3	Very high	92.6	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171	172.6	-174.6	0	0	0	0	0	114.3	L649 G694	L649-G697 CarbonylContact O-C 3.58Å; L649-G697 WeakPolarHBondContact O-CA 3.29Å; G694-G697 CarbonylContact C-O 3.46Å; G694-G697 WeakPolarHBondContact CA-O 3Å; G694-G697 PolarHBondContact N-O 2.82Å; G694-G697 PolarHBondContact O-N 2.94Å; G694-G697 VanDerWaalsContact O-O 3.08Å
698	M	93.4	Very high	92.6	Very high	7 Å²	7	25.2 Å²	25.2	3%	0.034	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	133.9	171.5	179.5	177.4	57.7	0	0	109.6	H648 L649 F664 I668 L671 I700 L720	H648-M698 WeakPolarHBondContact CA-O 3.41Å; L649-M698 HydrophobicContact CD1-CE 3.62Å; L649-M698 HydrophobicContact CG-CE 4.37Å; L649-M698 PolarHBondContact N-O 3.38Å; L649-M698 PolarHBondContact O-N 3.22Å; F664-M698 HydrophobicContact CE2-CB 4.25Å; F664-M698 HydrophobicContact CZ-CB 3.96Å; I668-M698 HydrophobicContact CD1-CB 3.97Å; I668-M698 HydrophobicContact CD1-CG 3.53Å; I668-M698 HydrophobicContact CD1-SD 3.35Å; I668-M698 WeakPolarHBondContact CD1-SD 3.39Å; L671-M698 HydrophobicContact CD2-SD 3.99Å; M698-I700 HydrophobicContact CE-CD1 3.84Å; M698-I700 HydrophobicContact CE-CG1 3.98Å; M698-I700 HydrophobicContact CG-CG1 4.38Å; M698-I700 HydrophobicContact SD-CG1 4.39Å; M698-L720 HydrophobicContact CE-CD1 3.8Å; M698-L720 HydrophobicContact CE-CD2 3.81Å; M698-L720 HydrophobicContact CE-CG 4.45Å
699	V	94.3	Very high	92.8	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	129	167.5	169.5	0	0	0	0	111.1	M133 F647 H648 M692 R701 W979	M133-V699 HydrophobicContact CE-CB 3.84Å; M133-V699 HydrophobicContact CE-CG2 3.3Å; M133-V699 HydrophobicContact SD-CB 3.96Å; M133-V699 HydrophobicContact SD-CG1 4.16Å; M133-V699 HydrophobicContact SD-CG2 4.03Å; F647-V699 CarbonylContact O-C 3.57Å; F647-V699 WeakPolarHBondContact O-CA 3.46Å; H648-V699 HydrophobicContact CB-CG2 3.85Å; M692-V699 HydrophobicContact CE-CB 4.36Å; M692-V699 HydrophobicContact CE-CG1 3.89Å; M692-V699 PolarHBondContact N-O 3.36Å; M692-V699 PolarHBondContact O-N 2.97Å; V699-R701 HydrophobicContact CG1-CG 4.04Å; V699-W979 HydrophobicContact CG1-CZ2 3.97Å; V699-W979 HydrophobicContact CG2-CZ2 4.21Å
700	I	96.2	Very high	92.9	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	117.7	173.8	-51	174.6	0	0	0	106.6	R646 F647 L649 L691 M698 L702 I716 F816	R646-I700 CarbonylContact C-O 3.52Å; R646-I700 WeakPolarHBondContact CA-O 3.16Å; F647-I700 PolarHBondContact N-O 3.07Å; F647-I700 PolarHBondContact O-N 2.89Å; L649-I700 HydrophobicContact CD1-CD1 4.35Å; L691-I700 HydrophobicContact CD2-CB 4.24Å; L691-I700 HydrophobicContact CD2-CG1 3.87Å; L691-I700 HydrophobicContact CD2-CG2 3.92Å; M698-I700 HydrophobicContact CE-CD1 3.84Å; M698-I700 HydrophobicContact CE-CG1 3.98Å; M698-I700 HydrophobicContact CG-CG1 4.38Å; M698-I700 HydrophobicContact SD-CG1 4.39Å; I700-L702 HydrophobicContact CG2-CD1 3.67Å; I700-I716 HydrophobicContact CD1-CG2 4.2Å; I700-I716 HydrophobicContact CG2-CD1 4.4Å; I700-I716 HydrophobicContact CG2-CG2 4.25Å; I700-F816 HydrophobicContact CD1-CE1 3.75Å; I700-F816 HydrophobicContact CD1-CZ 3.79Å
701	R	96.8	Very high	93	Very high	54 Å²	54	21.2 Å²	21.2	20%	0.204	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	137.7	168.6	-66.2	177.6	-156.5	-166.8	11.5	108.4	R646 Y689 K690 M692 V699 D976	R646-R701 HydrophobicContact CG-CG 4.25Å; Y689-R701 CarbonylContact C-O 3.11Å; Y689-R701 VanDerWaalsContact CA-O 3.24Å; Y689-R701 WeakPolarHBondContact CA-O 3.42Å; K690-R701 PolarHBondContact N-O 3.31Å; K690-R701 PolarHBondContact O-N 3.32Å; M692-R701 HydrophobicContact CE-CB 4.24Å; M692-R701 HydrophobicContact CE-CG 3.74Å; V699-R701 HydrophobicContact CG1-CG 4.04Å; R701-D976 IonicContact NH1-OD1 2.63Å
702	L	97	Very high	93.2	Very high	4 Å²	4	20.3 Å²	20.3	2%	0.021	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	140.8	166.6	-53.6	85.4	0	0	0	109.4	Y644 I645 E688 I700 L709 L712 L713 I716	Y644-L702 WeakPolarHBondContact CA-O 3.25Å; I645-L702 HydrophobicContact CB-CB 4.34Å; I645-L702 HydrophobicContact CB-CD1 4.13Å; I645-L702 HydrophobicContact CG2-CD1 4.15Å; I645-L702 PolarHBondContact N-O 3.31Å; I645-L702 PolarHBondContact O-N 2.97Å; E688-L702 WeakPolarHBondContact O-CA 3.43Å; I700-L702 HydrophobicContact CG2-CD1 3.67Å; L702-L709 HydrophobicContact CB-CD2 4.01Å; L702-L709 HydrophobicContact CD2-CD2 4.48Å; L702-L712 HydrophobicContact CD2-CB 4.2Å; L702-L712 HydrophobicContact CD2-CD2 4.09Å; L702-L712 HydrophobicContact CD2-CG 3.88Å; L702-L713 HydrophobicContact CD1-CD1 3.86Å; L702-L713 HydrophobicContact CD2-CB 4.06Å; L702-L713 HydrophobicContact CD2-CD1 4.42Å; L702-I716 HydrophobicContact CD2-CD1 4.05Å; L702-I716 HydrophobicContact CG-CD1 4.28Å
703	K	95.4	Very high	93.6	Very high	77 Å²	77	19.9 Å²	19.9	34%	0.335	10%	0.098	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	164	170.1	61.7	168.5	159.4	127.3	0	111.4	A643 Y644 L687 E688 L709	A643-K703 WeakPolarHBondContact O-CA 3.33Å; Y644-K703 HydrophobicContact CD1-CB 3.6Å; Y644-K703 HydrophobicContact CE1-CB 3.54Å; Y644-K703 HydrophobicContact CE1-CD 3.78Å; Y644-K703 HydrophobicContact CE1-CG 4.24Å; Y644-K703 HydrophobicContact CG-CB 4.15Å; L687-K703 CarbonylContact C-O 3.51Å; L687-K703 WeakPolarHBondContact CA-O 2.98Å; E688-K703 HydrophobicContact CB-CG 4Å; E688-K703 PolarHBondContact N-O 3.04Å; E688-K703 VanDerWaalsContact N-O 3.14Å; E688-K703 PolarHBondContact O-N 3Å; E688-K703 WeakPolarHBondContact OE1-CE 3.34Å; E688-K703 IonicContact OE1-NZ 3.66Å; E688-K703 PolarHBondContact OE1-NZ 2.79Å; E688-K703 WeakPolarHBondContact OE2-CE 3.48Å; E688-K703 IonicContact OE2-NZ 2.67Å; E688-K703 PolarHBondContact OE2-NZ 3.15Å; K703-L709 WeakPolarHBondContact O-CD2 3.47Å
704	G	95.6	Very high	94	Very high	6 Å²	6	23.3 Å²	23.3	6%	0.062	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	126.3	-161.2	177	0	0	0	0	0	114	K642 A643 Q686 N706 L709	K642-G704 CarbonylContact C-O 3.53Å; K642-G704 VanDerWaalsContact CA-O 3.23Å; K642-G704 WeakPolarHBondContact CA-O 3.45Å; A643-G704 PolarHBondContact N-O 2.9Å; A643-G704 PolarHBondContact O-N 2.96Å; Q686-G704 WeakPolarHBondContact O-CA 3.34Å; G704-N706 PolarHBondContact O-N 2.92Å; G704-L709 WeakPolarHBondContact O-CD1 3.37Å
705	F	96.4	Very high	94.7	Very high	4 Å²	4	24.8 Å²	24.8	2%	0.018	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	121.3	-173.9	-67.7	-65.5	0	0	0	113.7	N490 Y494 A603 F606 P641 K642 Q686 L687 H707 K708	N490-F705 HydrophobicContact CB-CE2 4.32Å; N490-F705 HydrophobicContact CB-CZ 4.19Å; Y494-F705 AromaticContact CD2-CE1 3.68Å; Y494-F705 HydrophobicContact CD2-CE1 3.68Å; Y494-F705 HydrophobicContact CD2-CZ 4.06Å; Y494-F705 HydrophobicContact CG-CE1 4.12Å; A603-F705 HydrophobicContact CB-CB 3.67Å; A603-F705 HydrophobicContact CB-CD2 3.95Å; A603-F705 HydrophobicContact CB-CG 3.83Å; F606-F705 AromaticContact CD1-CD1 3.92Å; F606-F705 HydrophobicContact CD1-CD1 3.92Å; F606-F705 HydrophobicContact CD1-CE1 4.02Å; F606-F705 AromaticContact CE1-CD1 3.68Å; F606-F705 HydrophobicContact CE1-CD1 3.68Å; F606-F705 AromaticContact CE1-CE1 3.69Å; F606-F705 HydrophobicContact CE1-CE1 3.69Å; F606-F705 HydrophobicContact CE1-CG 4.15Å; F606-F705 HydrophobicContact CE1-CZ 4.14Å; P641-F705 HydrophobicContact CG-CD1 4.14Å; P641-F705 HydrophobicContact CG-CE1 4.1Å; P641-F705 WeakPolarHBondContact O-CA 3.49Å; K642-F705 HydrophobicContact CG-CD1 4.19Å; K642-F705 HydrophobicContact CG-CE1 4.34Å; Q686-F705 HydrophobicContact CB-CD2 3.99Å; Q686-F705 HydrophobicContact CB-CE2 3.8Å; Q686-F705 HydrophobicContact CG-CE2 4.48Å; Q686-F705 PolarHBondContact O-N 2.82Å; L687-F705 HydrophobicContact CD2-CB 4.15Å; L687-F705 WeakPolarHBondContact CD2-O 3.35Å; F705-H707 PolarHBondContact O-N 2.96Å; F705-K708 PolarHBondContact O-N 3.04Å
706	N	95.9	Very high	95.4	Very high	3 Å²	3	23.9 Å²	23.9	2%	0.016	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-17.2	-168.4	75.4	-96.9	0	0	0	115.1	K609 P641 A643 G704 K708 N803 F804	K609-N706 WeakPolarHBondContact CE-ND2 3.34Å; P641-N706 PolarHBondContact O-N 2.86Å; P641-N706 PolarHBondContact O-OD1 2.95Å; A643-N706 HydrophobicContact CB-CB 3.99Å; G704-N706 PolarHBondContact O-N 2.92Å; N706-K708 VanDerWaalsContact C-N 3.31Å; N706-N803 HydrophobicContact CB-CB 4.07Å; N706-N803 PolarHBondContact ND2-O 3.48Å; N706-N803 WeakPolarHBondContact OD1-CB 3.23Å; N706-N803 PolarHBondContact OD1-ND2 2.87Å; N706-F804 HydrophobicContact CB-CE1 4.46Å; N706-F804 HydrophobicContact CB-CE2 4.27Å; N706-F804 HydrophobicContact CB-CZ 4.1Å; N706-F804 WeakPolarHBondContact O-CE1 3.36Å; N706-F804 WeakPolarHBondContact O-CZ 3.25Å
707	H	96.6	Very high	96	Very high	57 Å²	57	22.8 Å²	22.8	26%	0.264	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-35.4	179.1	170.6	-163.9	0	0	0	111.6	T604 D605 F705	T604-H707 PolarHBondContact N-ND1 2.78Å; T604-H707 PolarHBondContact OG1-CE1 3.43Å; D605-H707 HydrophobicContact CB-CB 4.27Å; D605-H707 PolarHBondContact N-ND1 2.74Å; F705-H707 PolarHBondContact O-N 2.96Å
708	K	96.8	Very high	96.3	Very high	32 Å²	32	25.1 Å²	25.1	14%	0.139	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.1	-17.6	-166.4	-62.2	-66.1	-162.6	-162.3	0	114.3	R600 F601 I602 L687 F705 N706 P710 L711 L712	R600-K708 WeakPolarHBondContact O-CE 3.45Å; F601-K708 HydrophobicContact CD1-CB 4.41Å; F601-K708 WeakPolarHBondContact O-CG 3.38Å; I602-K708 WeakPolarHBondContact O-CE 3.4Å; L687-K708 HydrophobicContact CD1-CB 3.4Å; L687-K708 VanDerWaalsContact CD1-CB 3.4Å; L687-K708 HydrophobicContact CD1-CG 4.49Å; L687-K708 HydrophobicContact CD2-CB 4.17Å; L687-K708 HydrophobicContact CG-CB 4.43Å; F705-K708 PolarHBondContact O-N 3.04Å; N706-K708 VanDerWaalsContact C-N 3.31Å; K708-P710 VanDerWaalsContact C-N 3.29Å; K708-P710 VanDerWaalsContact O-N 3.16Å; K708-L711 HydrophobicContact CD-CD1 4Å; K708-L711 WeakPolarHBondContact O-CB 3.09Å; K708-L711 PolarHBondContact O-N 2.74Å; K708-L712 PolarHBondContact O-N 2.69Å
709	L	96.8	Very high	96.4	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-47.4	-38.5	170.8	-70.2	172.6	0	0	0	115.1	A643 I645 L687 L702 K703 G704 L711 L712 L713 F804	A643-L709 HydrophobicContact CB-CD1 4.11Å; A643-L709 VanDerWaalsContact O-CD1 3.25Å; A643-L709 WeakPolarHBondContact O-CD1 3.41Å; I645-L709 HydrophobicContact CD1-CB 4.06Å; L687-L709 HydrophobicContact CB-CD2 4.45Å; L687-L709 HydrophobicContact CD2-CD2 4.08Å; L687-L709 HydrophobicContact CD2-CG 4.1Å; L702-L709 HydrophobicContact CB-CD2 4.01Å; L702-L709 HydrophobicContact CD2-CD2 4.48Å; K703-L709 WeakPolarHBondContact O-CD2 3.47Å; G704-L709 WeakPolarHBondContact O-CD1 3.37Å; L709-L711 PolarHBondContact O-N 3.03Å; L709-L712 PolarHBondContact O-N 3.18Å; L709-L713 PolarHBondContact O-N 3.4Å; L709-F804 HydrophobicContact CB-CZ 4.19Å; L709-F804 HydrophobicContact CD1-CE2 4.23Å
710	P	97.2	Very high	96.5	Very high	30 Å²	30	27.8 Å²	27.8	20%	0.195	13%	0.134	C	C	.	.	H	α-helix	trans	-65.4	-20	177.5	-23.7	36.3	0	0	0	114.4	K708 K714 F804 F812	K708-P710 VanDerWaalsContact C-N 3.29Å; K708-P710 VanDerWaalsContact O-N 3.16Å; P710-K714 WeakPolarHBondContact O-CD 3.43Å; P710-K714 VanDerWaalsContact O-CG 3.23Å; P710-K714 WeakPolarHBondContact O-CG 3.5Å; P710-F804 HydrophobicContact CG-CE1 3.79Å; P710-F804 HydrophobicContact CG-CZ 3.92Å; P710-F812 HydrophobicContact CB-CE1 4.07Å; P710-F812 HydrophobicContact CG-CE1 4.17Å; P710-F812 HydrophobicContact CG-CZ 4.15Å
711	L	96.7	Very high	96.4	Very high	87 Å²	87	28.7 Å²	28.7	46%	0.455	14%	0.142	S	C	.	.	H	α-helix	trans	-80.2	-43.1	173.7	-58.7	179.3	0	0	0	110.7	F601 K708 L709 K714 L715	F601-L711 HydrophobicContact CE1-CB 3.87Å; K708-L711 HydrophobicContact CD-CD1 4Å; K708-L711 WeakPolarHBondContact O-CB 3.09Å; K708-L711 PolarHBondContact O-N 2.74Å; L709-L711 PolarHBondContact O-N 3.03Å; L711-K714 PolarHBondContact O-N 3.32Å; L711-L715 PolarHBondContact O-N 3.4Å
712	L	97.1	Very high	96.3	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-64.4	-44.6	177.6	-178.6	55.9	0	0	0	111.4	F601 A679 A682 L687 Y689 L702 K708 L709 K714 L715 I716	F601-L712 HydrophobicContact CE1-CB 4.38Å; A679-L712 HydrophobicContact CB-CD1 4.02Å; A682-L712 HydrophobicContact CB-CD1 3.91Å; A682-L712 HydrophobicContact CB-CD2 4.03Å; A682-L712 HydrophobicContact CB-CG 4.38Å; L687-L712 HydrophobicContact CB-CD2 3.98Å; L687-L712 WeakPolarHBondContact O-CD2 3.23Å; Y689-L712 HydrophobicContact CD1-CD1 4.21Å; Y689-L712 HydrophobicContact CD1-CD2 4.28Å; L702-L712 HydrophobicContact CD2-CB 4.2Å; L702-L712 HydrophobicContact CD2-CD2 4.09Å; L702-L712 HydrophobicContact CD2-CG 3.88Å; K708-L712 PolarHBondContact O-N 2.69Å; L709-L712 PolarHBondContact O-N 3.18Å; L712-K714 VanDerWaalsContact C-N 3.31Å; L712-K714 PolarHBondContact O-N 2.82Å; L712-L715 HydrophobicContact CD1-CD2 4.47Å; L712-L715 WeakPolarHBondContact O-CB 3.48Å; L712-L715 PolarHBondContact O-N 2.8Å; L712-I716 HydrophobicContact CD1-CD1 4.29Å; L712-I716 HydrophobicContact CD1-CG1 4.44Å; L712-I716 HydrophobicContact CG-CD1 4.19Å; L712-I716 WeakPolarHBondContact O-CG1 3.41Å; L712-I716 PolarHBondContact O-N 3.39Å
713	L	97.1	Very high	96.2	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-57.7	-44.2	174.8	-177.4	69.7	0	0	0	111.9	I645 L702 L709 I716 V717 F812 F816	I645-L713 HydrophobicContact CG2-CD1 4.4Å; I645-L713 HydrophobicContact CG2-CD2 4.45Å; L702-L713 HydrophobicContact CD1-CD1 3.86Å; L702-L713 HydrophobicContact CD2-CB 4.06Å; L702-L713 HydrophobicContact CD2-CD1 4.42Å; L709-L713 PolarHBondContact O-N 3.4Å; L713-I716 PolarHBondContact O-N 3.43Å; L713-V717 HydrophobicContact CD1-CG2 4.41Å; L713-V717 WeakPolarHBondContact O-CG2 3.24Å; L713-V717 PolarHBondContact O-N 2.98Å; L713-F812 HydrophobicContact CD2-CB 3.6Å; L713-F812 HydrophobicContact CD2-CD1 3.6Å; L713-F812 HydrophobicContact CD2-CD2 4.2Å; L713-F812 HydrophobicContact CD2-CE1 4.35Å; L713-F812 HydrophobicContact CD2-CG 3.53Å; L713-F816 HydrophobicContact CD1-CE2 3.96Å; L713-F816 HydrophobicContact CD1-CZ 4.02Å
714	K	96.8	Very high	96.2	Very high	82 Å²	82	31.3 Å²	31.3	36%	0.357	17%	0.169	S	C	.	.	H	α-helix	trans	-64.5	-41	178.8	-73.2	175.1	-177.3	176	0	111.6	P710 L711 L712 I716 V717 D718 Y815	P710-K714 WeakPolarHBondContact O-CD 3.43Å; P710-K714 VanDerWaalsContact O-CG 3.23Å; P710-K714 WeakPolarHBondContact O-CG 3.5Å; L711-K714 PolarHBondContact O-N 3.32Å; L712-K714 VanDerWaalsContact C-N 3.31Å; L712-K714 PolarHBondContact O-N 2.82Å; K714-I716 PolarHBondContact O-N 2.67Å; K714-V717 PolarHBondContact O-N 2.86Å; K714-D718 VanDerWaalsContact O-CB 3.27Å; K714-D718 WeakPolarHBondContact O-CB 3.45Å; K714-D718 VanDerWaalsContact O-CG 3.29Å; K714-D718 PolarHBondContact O-N 2.86Å; K714-Y815 HydrophobicContact CB-CE1 3.93Å; K714-Y815 HydrophobicContact CD-CE2 4.45Å; K714-Y815 HydrophobicContact CG-CD1 4.01Å; K714-Y815 HydrophobicContact CG-CE1 3.69Å; K714-Y815 HydrophobicContact CG-CE2 4.24Å; K714-Y815 HydrophobicContact CG-CG 4.4Å
715	L	96.7	Very high	96.1	Very high	34 Å²	34	32.1 Å²	32.1	18%	0.178	17%	0.172	C	C	.	.	H	α-helix	trans	-58.3	-46.6	173.9	176.7	63.8	0	0	0	112	L675 P678 A679 L711 L712 D718 Q719	L675-L715 HydrophobicContact CD2-CD2 4.42Å; L675-L715 HydrophobicContact CD2-CG 3.93Å; P678-L715 HydrophobicContact CB-CD1 4.22Å; P678-L715 HydrophobicContact CB-CD2 4.25Å; P678-L715 WeakPolarHBondContact O-CD2 3.22Å; A679-L715 HydrophobicContact CB-CD2 3.95Å; L711-L715 PolarHBondContact O-N 3.4Å; L712-L715 HydrophobicContact CD1-CD2 4.47Å; L712-L715 WeakPolarHBondContact O-CB 3.48Å; L712-L715 PolarHBondContact O-N 2.8Å; L715-D718 PolarHBondContact O-N 2.91Å; L715-Q719 HydrophobicContact CD1-CG 4.35Å; L715-Q719 WeakPolarHBondContact O-CG 3.35Å; L715-Q719 PolarHBondContact O-N 2.98Å
716	I	96.9	Very high	95.9	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-61.7	-48.1	178.1	-66	168.9	0	0	0	111	L675 Y689 L691 I700 L702 L712 L713 K714 D718 Q719 L720	L675-I716 HydrophobicContact CD1-CB 4.4Å; L675-I716 HydrophobicContact CD1-CG1 4.13Å; L675-I716 HydrophobicContact CD1-CG2 4.23Å; L675-I716 HydrophobicContact CD2-CG1 4.06Å; Y689-I716 HydrophobicContact CD2-CD1 3.87Å; Y689-I716 HydrophobicContact CD2-CG1 4.48Å; Y689-I716 HydrophobicContact CG-CD1 3.96Å; L691-I716 HydrophobicContact CD2-CG2 4.13Å; I700-I716 HydrophobicContact CD1-CG2 4.2Å; I700-I716 HydrophobicContact CG2-CD1 4.4Å; I700-I716 HydrophobicContact CG2-CG2 4.25Å; L702-I716 HydrophobicContact CD2-CD1 4.05Å; L702-I716 HydrophobicContact CG-CD1 4.28Å; L712-I716 HydrophobicContact CD1-CD1 4.29Å; L712-I716 HydrophobicContact CD1-CG1 4.44Å; L712-I716 HydrophobicContact CG-CD1 4.19Å; L712-I716 WeakPolarHBondContact O-CG1 3.41Å; L712-I716 PolarHBondContact O-N 3.39Å; L713-I716 PolarHBondContact O-N 3.43Å; K714-I716 PolarHBondContact O-N 2.67Å; I716-D718 VanDerWaalsContact C-N 3.35Å; I716-D718 PolarHBondContact O-N 2.86Å; I716-Q719 PolarHBondContact O-N 3.29Å; I716-L720 WeakPolarHBondContact O-CB 3.42Å; I716-L720 PolarHBondContact O-N 3.08Å
717	V	96.6	Very high	95.8	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-68.5	-33.9	-179.2	177.4	0	0	0	0	112	L713 K714 A721 Y815 F816 K819	L713-V717 HydrophobicContact CD1-CG2 4.41Å; L713-V717 WeakPolarHBondContact O-CG2 3.24Å; L713-V717 PolarHBondContact O-N 2.98Å; K714-V717 PolarHBondContact O-N 2.86Å; V717-A721 WeakPolarHBondContact O-CB 3.46Å; V717-A721 PolarHBondContact O-N 3.11Å; V717-Y815 HydrophobicContact CB-CD1 3.83Å; V717-Y815 HydrophobicContact CB-CE1 3.82Å; V717-Y815 HydrophobicContact CG1-CD1 3.67Å; V717-Y815 HydrophobicContact CG1-CE1 3.81Å; V717-Y815 HydrophobicContact CG2-CD1 4.32Å; V717-F816 HydrophobicContact CG1-CD1 4.31Å; V717-F816 HydrophobicContact CG2-CD1 3.78Å; V717-F816 HydrophobicContact CG2-CD2 4.28Å; V717-F816 HydrophobicContact CG2-CE1 3.39Å; V717-F816 HydrophobicContact CG2-CE2 3.92Å; V717-F816 HydrophobicContact CG2-CG 4.21Å; V717-F816 HydrophobicContact CG2-CZ 3.45Å; V717-F816 VanDerWaalsContact CG2-CZ 3.45Å; V717-K819 HydrophobicContact CG1-CB 4.11Å; V717-K819 HydrophobicContact CG1-CG 4.13Å
718	D	96.5	Very high	95.6	Very high	48 Å²	48	42.6 Å²	42.6	26%	0.257	24%	0.236	S	C	.	.	H	α-helix	trans	-64.4	-48.7	172.4	-79.9	-25.1	0	0	0	111.4	K714 L715 I716 L720 A721 D722 Y815 K819	K714-D718 VanDerWaalsContact O-CB 3.27Å; K714-D718 WeakPolarHBondContact O-CB 3.45Å; K714-D718 VanDerWaalsContact O-CG 3.29Å; K714-D718 PolarHBondContact O-N 2.86Å; L715-D718 PolarHBondContact O-N 2.91Å; I716-D718 VanDerWaalsContact C-N 3.35Å; I716-D718 PolarHBondContact O-N 2.86Å; D718-L720 VanDerWaalsContact C-N 3.33Å; D718-L720 PolarHBondContact O-N 3.4Å; D718-A721 PolarHBondContact O-N 2.87Å; D718-D722 WeakPolarHBondContact O-CB 3.35Å; D718-D722 PolarHBondContact O-N 2.96Å; D718-Y815 PolarHBondContact OD1-OH 3.01Å; D718-Y815 PolarHBondContact OD2-OH 3.43Å; D718-K819 WeakPolarHBondContact OD1-CD 3.47Å; D718-K819 WeakPolarHBondContact OD1-CE 3.27Å; D718-K819 IonicContact OD1-NZ 3.43Å; D718-K819 PolarHBondContact OD1-NZ 3.07Å
719	Q	95.4	Very high	95.4	Very high	58 Å²	58	42 Å²	42	27%	0.271	24%	0.235	S	C	.	.	H	α-helix	trans	-64	-35.2	176.7	-69.6	-59.3	-37.8	0	0	113	L671 L675 L715 I716 F723	L671-Q719 HydrophobicContact CD1-CB 4.08Å; L675-Q719 HydrophobicContact CD1-CB 4.3Å; L675-Q719 HydrophobicContact CD2-CB 3.88Å; L675-Q719 HydrophobicContact CD2-CG 3.56Å; L675-Q719 HydrophobicContact CG-CB 3.88Å; L675-Q719 HydrophobicContact CG-CG 3.92Å; L715-Q719 HydrophobicContact CD1-CG 4.35Å; L715-Q719 WeakPolarHBondContact O-CG 3.35Å; L715-Q719 PolarHBondContact O-N 2.98Å; I716-Q719 PolarHBondContact O-N 3.29Å; Q719-F723 VanDerWaalsContact O-CA 3.28Å; Q719-F723 WeakPolarHBondContact O-CA 3.21Å; Q719-F723 PolarHBondContact O-N 3.13Å
720	L	95.4	Very high	95.4	Very high	5 Å²	5	42.6 Å²	42.6	3%	0.026	24%	0.237	C	C	.	.	H	α-helix	trans	-64.4	-45.2	174.1	177.1	65.1	0	0	0	111.9	L649 F667 L671 M698 I716 D718 F723 K791 L820	L649-L720 HydrophobicContact CD1-CD2 3.75Å; F667-L720 HydrophobicContact CE1-CD1 4.06Å; F667-L720 HydrophobicContact CZ-CD1 3.64Å; L671-L720 HydrophobicContact CD2-CB 4.49Å; L671-L720 HydrophobicContact CD2-CD1 3.76Å; M698-L720 HydrophobicContact CE-CD1 3.8Å; M698-L720 HydrophobicContact CE-CD2 3.81Å; M698-L720 HydrophobicContact CE-CG 4.45Å; I716-L720 WeakPolarHBondContact O-CB 3.42Å; I716-L720 PolarHBondContact O-N 3.08Å; D718-L720 VanDerWaalsContact C-N 3.33Å; D718-L720 PolarHBondContact O-N 3.4Å; L720-F723 WeakPolarHBondContact O-CB 3.41Å; L720-K791 WeakPolarHBondContact O-CD 3.24Å; L720-K791 PolarHBondContact O-NZ 3.14Å; L720-L820 HydrophobicContact CD2-CD1 3.85Å; L720-L820 HydrophobicContact CD2-CD2 4.2Å; L720-L820 HydrophobicContact CG-CD2 4.07Å
721	A	94.6	Very high	95.2	Very high	20 Å²	20	42.9 Å²	42.9	17%	0.165	25%	0.246	C	C	.	.	H	α-helix	trans	-64.3	-49.6	177.7	0	0	0	0	0	111.4	V717 D718 F723 K791 K819 L820	V717-A721 WeakPolarHBondContact O-CB 3.46Å; V717-A721 PolarHBondContact O-N 3.11Å; D718-A721 PolarHBondContact O-N 2.87Å; A721-F723 VanDerWaalsContact C-N 3.27Å; A721-F723 PolarHBondContact O-N 3.39Å; A721-K791 PolarHBondContact O-NZ 2.79Å; A721-K819 HydrophobicContact CB-CD 4.23Å; A721-K819 HydrophobicContact CB-CG 3.7Å; A721-L820 HydrophobicContact CB-CD2 3.74Å
722	D	94.6	Very high	94.9	Very high	107 Å²	107	39.6 Å²	39.6	57%	0.572	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.4	12.4	-174.7	-61.6	-46.5	0	0	0	112.8	D718 S724 K819	D718-D722 WeakPolarHBondContact O-CB 3.35Å; D718-D722 PolarHBondContact O-N 2.96Å; D722-S724 PolarHBondContact O-N 3Å; D722-K819 IonicContact OD2-NZ 2.72Å; D722-K819 PolarHBondContact OD2-NZ 2.94Å
723	F	96.1	Very high	94.8	Very high	10 Å²	10	40.6 Å²	40.6	4%	0.044	23%	0.233	C	C	.	.			trans	-47.5	126.1	-177.6	177	-87.8	0	0	0	113.1	F667 I670 L671 Q719 L720 A721 L783 M784 A787	F667-F723 AromaticContact CD2-CD1 3.96Å; F667-F723 HydrophobicContact CD2-CD1 3.96Å; F667-F723 HydrophobicContact CD2-CD2 4.01Å; F667-F723 AromaticContact CD2-CE1 3.69Å; F667-F723 HydrophobicContact CD2-CE1 3.69Å; F667-F723 AromaticContact CD2-CE2 3.72Å; F667-F723 HydrophobicContact CD2-CE2 3.72Å; F667-F723 HydrophobicContact CD2-CG 4.13Å; F667-F723 AromaticContact CD2-CZ 3.56Å; F667-F723 HydrophobicContact CD2-CZ 3.56Å; F667-F723 HydrophobicContact CE2-CB 4.23Å; F667-F723 AromaticContact CE2-CD1 3.72Å; F667-F723 HydrophobicContact CE2-CD1 3.72Å; F667-F723 AromaticContact CE2-CD2 3.71Å; F667-F723 HydrophobicContact CE2-CD2 3.71Å; F667-F723 AromaticContact CE2-CE1 3.96Å; F667-F723 HydrophobicContact CE2-CE1 3.96Å; F667-F723 AromaticContact CE2-CE2 3.93Å; F667-F723 HydrophobicContact CE2-CE2 3.93Å; F667-F723 AromaticContact CE2-CG 3.6Å; F667-F723 HydrophobicContact CE2-CG 3.6Å; F667-F723 HydrophobicContact CE2-CZ 4.06Å; F667-F723 HydrophobicContact CG-CZ 4.49Å; I670-F723 HydrophobicContact CB-CE2 4.16Å; I670-F723 HydrophobicContact CB-CZ 4.24Å; I670-F723 HydrophobicContact CG2-CE2 3.82Å; I670-F723 HydrophobicContact CG2-CZ 3.88Å; L671-F723 HydrophobicContact CB-CD2 4.11Å; L671-F723 HydrophobicContact CB-CE2 4.1Å; L671-F723 HydrophobicContact CD1-CD2 4.2Å; Q719-F723 VanDerWaalsContact O-CA 3.28Å; Q719-F723 WeakPolarHBondContact O-CA 3.21Å; Q719-F723 PolarHBondContact O-N 3.13Å; L720-F723 WeakPolarHBondContact O-CB 3.41Å; A721-F723 VanDerWaalsContact C-N 3.27Å; A721-F723 PolarHBondContact O-N 3.39Å; F723-L783 HydrophobicContact CZ-CD2 4.44Å; F723-M784 HydrophobicContact CD1-SD 4.43Å; F723-M784 HydrophobicContact CE1-SD 4.12Å; F723-A787 HydrophobicContact CD1-CB 3.97Å; F723-A787 HydrophobicContact CE1-CB 4.02Å
724	S	94.1	Very high	94.6	Very high	73 Å²	73	41.4 Å²	41.4	51%	0.51	24%	0.24	S	C	.	.			trans	-150.3	163	174.4	55.9	0	0	0	0	110.3	N674 D722	N674-S724 PolarHBondContact ND2-O 2.76Å; D722-S724 PolarHBondContact O-N 3Å
725	T	94.4	Very high	94.4	Very high	23 Å²	23	40.5 Å²	40.5	14%	0.141	24%	0.237	C	C	.	.			trans	-149.3	144.2	178.4	-172.5	0	0	0	0	111.4	V780 L783 M784	T725-V780 HydrophobicContact CG2-CG2 3.67Å; T725-L783 HydrophobicContact CG2-CD2 4.02Å; T725-M784 HydrophobicContact CG2-SD 3.99Å
726	E	92.4	Very high	94.1	Very high	133 Å²	133	40 Å²	40	62%	0.621	23%	0.234	S	C	*	.			trans	-83.2	149.2	171.2	-74.1	-64.9	160.8	0	0	110.6	S728 V729 F730	E726-S728 PolarHBondContact O-N 2.88Å; E726-S728 VanDerWaalsContact O-N 3.11Å; E726-V729 HydrophobicContact CB-CG2 4.31Å; E726-V729 PolarHBondContact O-N 3.04Å; E726-F730 PolarHBondContact O-N 3.02Å
727	P	93.9	Very high	93.9	Very high	79 Å²	79	40 Å²	40	51%	0.513	23%	0.234	S	C	.	.	H	α-helix	trans	-58.2	-28.1	-179.5	-24.8	34.2	0	0	0	114.5	G731 V780	P727-G731 PolarHBondContact O-N 3.18Å; P727-V780 HydrophobicContact CB-CG1 4.46Å; P727-V780 HydrophobicContact CG-CG1 4.38Å
728	S	91.8	Very high	93.7	Very high	71 Å²	71	42.2 Å²	42.2	50%	0.497	24%	0.243	S	C	.	.	H	α-helix	trans	-71.4	-40.8	175.6	50.7	0	0	0	0	112.6	E726 G731 M732	E726-S728 PolarHBondContact O-N 2.88Å; E726-S728 VanDerWaalsContact O-N 3.11Å; S728-G731 PolarHBondContact O-N 2.94Å; S728-M732 WeakPolarHBondContact O-CB 3.36Å; S728-M732 PolarHBondContact O-N 3.49Å
729	V	92.9	Very high	93.4	Very high	19 Å²	19	40.6 Å²	40.6	12%	0.115	23%	0.234	C	C	.	.	H	α-helix	trans	-67.4	-44.2	176.3	177.8	0	0	0	0	109.7	I670 E726 G731 M732 F733	I670-V729 HydrophobicContact CG1-CG1 4.47Å; I670-V729 HydrophobicContact CG2-CG1 4.38Å; E726-V729 HydrophobicContact CB-CG2 4.31Å; E726-V729 PolarHBondContact O-N 3.04Å; V729-G731 PolarHBondContact O-N 2.92Å; V729-M732 HydrophobicContact CG1-CE 4.42Å; V729-M732 WeakPolarHBondContact O-CB 3.39Å; V729-M732 PolarHBondContact O-N 3.09Å; V729-F733 HydrophobicContact CG1-CD2 3.83Å; V729-F733 HydrophobicContact CG1-CE2 3.94Å; V729-F733 WeakPolarHBondContact O-CD2 3.37Å; V729-F733 PolarHBondContact O-N 3.27Å
730	F	95.4	Very high	93.2	Very high	13 Å²	13	38.2 Å²	38.2	6%	0.057	22%	0.223	C	C	.	.	H	α-helix	trans	-56	-49.2	172.1	173.9	-96.8	0	0	0	112.6	L666 I670 E726 M732 F733 A734 L778 V780 L783	L666-F730 HydrophobicContact CD1-CE2 3.95Å; L666-F730 HydrophobicContact CD1-CZ 4.47Å; I670-F730 HydrophobicContact CD1-CD2 4.39Å; E726-F730 PolarHBondContact O-N 3.02Å; F730-M732 VanDerWaalsContact C-N 3.33Å; F730-M732 PolarHBondContact O-N 3.01Å; F730-F733 PolarHBondContact O-N 2.77Å; F730-A734 VanDerWaalsContact O-CB 3.28Å; F730-A734 WeakPolarHBondContact O-CB 3.39Å; F730-A734 PolarHBondContact O-N 2.65Å; F730-L778 WeakPolarHBondContact CE1-O 3.4Å; F730-L778 HydrophobicContact CZ-CB 3.97Å; F730-V780 HydrophobicContact CB-CB 4.06Å; F730-V780 HydrophobicContact CB-CG2 3.82Å; F730-V780 HydrophobicContact CD1-CB 3.81Å; F730-V780 HydrophobicContact CD1-CG2 4.48Å; F730-V780 HydrophobicContact CD2-CB 4.24Å; F730-V780 HydrophobicContact CD2-CG2 4.27Å; F730-V780 HydrophobicContact CE1-CB 4.34Å; F730-V780 HydrophobicContact CG-CB 3.74Å; F730-V780 HydrophobicContact CG-CG2 3.93Å; F730-L783 HydrophobicContact CD2-CB 4.24Å; F730-L783 HydrophobicContact CD2-CD2 3.61Å; F730-L783 HydrophobicContact CE2-CB 3.97Å; F730-L783 HydrophobicContact CE2-CD2 4.01Å
731	G	92.9	Very high	93.1	Very high	36 Å²	36	38.1 Å²	38.1	37%	0.371	22%	0.223	S	C	.	.	H	α-helix	trans	-63	-37.9	179.1	0	0	0	0	0	113.3	P727 S728 V729 E735	P727-G731 PolarHBondContact O-N 3.18Å; S728-G731 PolarHBondContact O-N 2.94Å; V729-G731 PolarHBondContact O-N 2.92Å; G731-E735 PolarHBondContact O-N 2.93Å
732	M	92.2	Very high	92.9	Very high	18 Å²	18	37.4 Å²	37.4	9%	0.089	22%	0.216	C	C	.	.	H	α-helix	trans	-61.4	-51.7	175.1	-179.8	-177.5	80.2	0	0	111.6	C420 L423 T450 S728 V729 F730 E735 Q736	C420-M732 HydrophobicContact CB-SD 3.67Å; L423-M732 HydrophobicContact CD2-CE 3.82Å; L423-M732 HydrophobicContact CD2-CG 4.01Å; L423-M732 HydrophobicContact CD2-SD 3.93Å; T450-M732 HydrophobicContact CG2-CG 3.61Å; T450-M732 HydrophobicContact CG2-SD 3.58Å; T450-M732 VanDerWaalsContact CG2-SD 3.58Å; S728-M732 WeakPolarHBondContact O-CB 3.36Å; S728-M732 PolarHBondContact O-N 3.49Å; V729-M732 HydrophobicContact CG1-CE 4.42Å; V729-M732 WeakPolarHBondContact O-CB 3.39Å; V729-M732 PolarHBondContact O-N 3.09Å; F730-M732 VanDerWaalsContact C-N 3.33Å; F730-M732 PolarHBondContact O-N 3.01Å; M732-E735 PolarHBondContact O-N 3.12Å; M732-Q736 PolarHBondContact O-N 3.35Å
733	F	93.4	Very high	92.7	Very high	21 Å²	21	32.3 Å²	32.3	9%	0.092	19%	0.189	C	C	.	.	H	α-helix	trans	-71.1	-29.8	179	-80.7	-72.4	0	0	0	113.5	L423 L666 N669 I670 H673 V729 F730 Q736 L737	L423-F733 HydrophobicContact CD2-CE1 4.34Å; L423-F733 HydrophobicContact CD2-CZ 4.33Å; L666-F733 HydrophobicContact CD2-CB 4.13Å; N669-F733 HydrophobicContact CB-CD1 3.87Å; N669-F733 HydrophobicContact CB-CE1 4.21Å; I670-F733 HydrophobicContact CD1-CB 4.26Å; I670-F733 HydrophobicContact CG1-CB 3.97Å; I670-F733 HydrophobicContact CG1-CD2 3.59Å; I670-F733 HydrophobicContact CG1-CE2 4.34Å; I670-F733 HydrophobicContact CG1-CG 3.88Å; H673-F733 HydrophobicContact CB-CE2 3.62Å; H673-F733 HydrophobicContact CB-CZ 3.53Å; H673-F733 AromaticContact CD2-CE2 3.92Å; H673-F733 AromaticContact CG-CE2 3.5Å; H673-F733 VanDerWaalsContact CG-CE2 3.5Å; H673-F733 AromaticContact CG-CZ 3.65Å; H673-F733 AromaticContact ND1-CE2 3.73Å; H673-F733 AromaticContact ND1-CZ 3.64Å; V729-F733 HydrophobicContact CG1-CD2 3.83Å; V729-F733 HydrophobicContact CG1-CE2 3.94Å; V729-F733 WeakPolarHBondContact O-CD2 3.37Å; V729-F733 PolarHBondContact O-N 3.27Å; F730-F733 PolarHBondContact O-N 2.77Å; F733-Q736 PolarHBondContact O-N 3.37Å; F733-L737 VanDerWaalsContact O-CB 3.23Å; F733-L737 WeakPolarHBondContact O-CB 2.96Å; F733-L737 PolarHBondContact O-N 3.16Å
734	A	94.4	Very high	92.4	Very high	19 Å²	19	32.9 Å²	32.9	16%	0.157	19%	0.192	C	C	.	.	H	α-helix	trans	-64.5	-38.3	173.6	0	0	0	0	0	112.8	L666 F730 K738	L666-A734 HydrophobicContact CD2-CB 4.41Å; F730-A734 VanDerWaalsContact O-CB 3.28Å; F730-A734 WeakPolarHBondContact O-CB 3.39Å; F730-A734 PolarHBondContact O-N 2.65Å; A734-K738 WeakPolarHBondContact O-CB 3.46Å; A734-K738 PolarHBondContact O-N 3.13Å
735	E	91.6	Very high	92.3	Very high	63 Å²	63	29.4 Å²	29.4	29%	0.294	17%	0.168	S	C	.	.	H	α-helix	trans	-77.6	-37.1	174.4	-170.4	57.8	-142.5	0	0	111.9	G731 M732 K738 K739	G731-E735 PolarHBondContact O-N 2.93Å; M732-E735 PolarHBondContact O-N 3.12Å; E735-K738 WeakPolarHBondContact O-CB 3.27Å; E735-K738 PolarHBondContact O-N 3.43Å; E735-K738 IonicContact OE1-NZ 3.74Å; E735-K738 PolarHBondContact OE1-NZ 3.21Å; E735-K738 IonicContact OE2-NZ 2.73Å; E735-K738 PolarHBondContact OE2-NZ 3.11Å; E735-K739 WeakPolarHBondContact O-CG 3.43Å; E735-K739 PolarHBondContact O-N 3.06Å
736	Q	90.9	Very high	91.9	Very high	23 Å²	23	28.8 Å²	28.8	11%	0.107	16%	0.163	C	C	.	.	H	α-helix	trans	-62.6	-50.1	174.4	-175.6	63.9	10.8	0	0	111.7	E127 L423 M732 F733 K738 K739 T740	E127-Q736 PolarHBondContact OE1-NE2 2.99Å; E127-Q736 VanDerWaalsContact OE1-NE2 3.08Å; L423-Q736 HydrophobicContact CD1-CB 4.16Å; L423-Q736 HydrophobicContact CD1-CG 3.58Å; M732-Q736 PolarHBondContact O-N 3.35Å; F733-Q736 PolarHBondContact O-N 3.37Å; Q736-K738 PolarHBondContact O-N 3.26Å; Q736-K738 VanDerWaalsContact O-N 3.14Å; Q736-K739 CarbonylContact O-C 3.53Å; Q736-K739 WeakPolarHBondContact O-CA 3.45Å; Q736-K739 VanDerWaalsContact O-CB 3.31Å; Q736-K739 WeakPolarHBondContact O-CB 3.35Å; Q736-K739 PolarHBondContact O-N 2.81Å; Q736-T740 PolarHBondContact O-N 3.11Å; Q736-T740 PolarHBondContact O-OG1 2.92Å; Q736-T740 VanDerWaalsContact O-OG1 3.11Å
737	L	92.6	Very high	91.7	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.005	15%	0.147	C	C	.	.	H	α-helix	trans	-59.8	-29.7	178.1	-173.2	64	0	0	0	112.2	V662 D665 L666 F733 T740 Y741 L774	V662-L737 HydrophobicContact CG1-CD2 4.29Å; D665-L737 HydrophobicContact CB-CD1 4.35Å; D665-L737 HydrophobicContact CB-CD2 3.89Å; L666-L737 HydrophobicContact CD2-CB 4.14Å; L666-L737 HydrophobicContact CD2-CD2 3.62Å; L666-L737 HydrophobicContact CG-CD2 3.65Å; F733-L737 VanDerWaalsContact O-CB 3.23Å; F733-L737 WeakPolarHBondContact O-CB 2.96Å; F733-L737 PolarHBondContact O-N 3.16Å; L737-T740 PolarHBondContact O-N 3.38Å; L737-Y741 HydrophobicContact CD1-CD1 4.4Å; L737-Y741 HydrophobicContact CD1-CE1 3.74Å; L737-Y741 HydrophobicContact CD1-CE2 4.27Å; L737-Y741 HydrophobicContact CD2-CE2 4.08Å; L737-Y741 HydrophobicContact CG-CD2 4.36Å; L737-Y741 HydrophobicContact CG-CE1 4.14Å; L737-Y741 HydrophobicContact CG-CE2 3.74Å; L737-Y741 WeakPolarHBondContact O-CD2 2.92Å; L737-Y741 VanDerWaalsContact O-CG 3.32Å; L737-Y741 PolarHBondContact O-N 3.37Å; L737-L774 HydrophobicContact CB-CD1 4.03Å; L737-L774 HydrophobicContact CD2-CD1 4.15Å; L737-L774 HydrophobicContact CG-CD1 3.93Å
738	K	92.1	Very high	91.4	Very high	47 Å²	47	22.6 Å²	22.6	20%	0.204	13%	0.126	C	C	.	.	H	α-helix	trans	-70.8	-33.8	172.5	172.2	166.7	153.5	-91.2	0	112.6	A734 E735 Q736 F742 Y771 L774 T775	A734-K738 WeakPolarHBondContact O-CB 3.46Å; A734-K738 PolarHBondContact O-N 3.13Å; E735-K738 WeakPolarHBondContact O-CB 3.27Å; E735-K738 PolarHBondContact O-N 3.43Å; E735-K738 IonicContact OE1-NZ 3.74Å; E735-K738 PolarHBondContact OE1-NZ 3.21Å; E735-K738 IonicContact OE2-NZ 2.73Å; E735-K738 PolarHBondContact OE2-NZ 3.11Å; Q736-K738 PolarHBondContact O-N 3.26Å; Q736-K738 VanDerWaalsContact O-N 3.14Å; K738-F742 WeakPolarHBondContact O-CB 3.43Å; K738-F742 PolarHBondContact O-N 3.32Å; K738-Y771 HydrophobicContact CG-CD2 4.29Å; K738-Y771 HydrophobicContact CG-CE2 3.75Å; K738-Y771 WeakPolarHBondContact O-CE2 3.11Å; K738-L774 HydrophobicContact CB-CB 4.18Å; K738-L774 HydrophobicContact CB-CD1 3.77Å; K738-L774 HydrophobicContact CD-CB 4.3Å; K738-T775 HydrophobicContact CD-CG2 4.42Å
739	K	90.5	Very high	91.1	Very high	14 Å²	14	21.3 Å²	21.3	6%	0.061	11%	0.114	C	C	.	.	H	α-helix	trans	-68.7	-46	168.4	-66.2	169.6	179.7	-179.2	0	111	K375 H377 D451 E735 Q736 Y741 F742 N743	K375-K739 HydrophobicContact CB-CB 4.37Å; K375-K739 HydrophobicContact CB-CG 4.24Å; K375-K739 WeakPolarHBondContact O-CD 3.33Å; H377-K739 PolarHBondContact CE1-NZ 3.16Å; H377-K739 PolarHBondContact ND1-NZ 2.81Å; D451-K739 WeakPolarHBondContact OD1-CE 3.05Å; D451-K739 IonicContact OD1-NZ 3.25Å; D451-K739 PolarHBondContact OD1-NZ 2.86Å; E735-K739 WeakPolarHBondContact O-CG 3.43Å; E735-K739 PolarHBondContact O-N 3.06Å; Q736-K739 CarbonylContact O-C 3.53Å; Q736-K739 WeakPolarHBondContact O-CA 3.45Å; Q736-K739 VanDerWaalsContact O-CB 3.31Å; Q736-K739 WeakPolarHBondContact O-CB 3.35Å; Q736-K739 PolarHBondContact O-N 2.81Å; K739-Y741 PolarHBondContact O-N 3.32Å; K739-F742 CarbonylContact O-C 3.54Å; K739-F742 WeakPolarHBondContact O-CA 3.39Å; K739-F742 WeakPolarHBondContact O-CB 3.28Å; K739-F742 PolarHBondContact O-N 3.2Å; K739-N743 VanDerWaalsContact O-CG 3.31Å; K739-N743 PolarHBondContact O-N 2.92Å
740	T	91.1	Very high	91	Very high	7 Å²	7	23.4 Å²	23.4	4%	0.043	12%	0.12	C	C	.	.	H	α-helix	trans	-56.6	-52.3	176.8	-50.7	0	0	0	0	111.9	P130 Q736 L737 F742 N743 I744	P130-T740 HydrophobicContact CG-CG2 4.16Å; Q736-T740 PolarHBondContact O-N 3.11Å; Q736-T740 PolarHBondContact O-OG1 2.92Å; Q736-T740 VanDerWaalsContact O-OG1 3.11Å; L737-T740 PolarHBondContact O-N 3.38Å; T740-F742 PolarHBondContact O-N 3.39Å; T740-N743 PolarHBondContact O-N 3.2Å; T740-N743 VanDerWaalsContact O-N 3.11Å; T740-I744 HydrophobicContact CG2-CD1 4.07Å; T740-I744 WeakPolarHBondContact O-CG1 2.94Å; T740-I744 PolarHBondContact O-N 3.26Å
741	Y	92.5	Very high	90.8	Very high	4 Å²	4	22.9 Å²	22.9	2%	0.016	12%	0.118	C	C	.	.	H	α-helix	trans	-61.1	-31.9	175	-66.1	-23.6	0	0	0	113.5	V662 D665 L737 K739 L745 V767 K770 L774	V662-Y741 HydrophobicContact CG2-CE2 4.14Å; D665-Y741 PolarHBondContact OD2-OH 3.33Å; L737-Y741 HydrophobicContact CD1-CD1 4.4Å; L737-Y741 HydrophobicContact CD1-CE1 3.74Å; L737-Y741 HydrophobicContact CD1-CE2 4.27Å; L737-Y741 HydrophobicContact CD2-CE2 4.08Å; L737-Y741 HydrophobicContact CG-CD2 4.36Å; L737-Y741 HydrophobicContact CG-CE1 4.14Å; L737-Y741 HydrophobicContact CG-CE2 3.74Å; L737-Y741 WeakPolarHBondContact O-CD2 2.92Å; L737-Y741 VanDerWaalsContact O-CG 3.32Å; L737-Y741 PolarHBondContact O-N 3.37Å; K739-Y741 PolarHBondContact O-N 3.32Å; Y741-L745 WeakPolarHBondContact O-CB 3.42Å; Y741-L745 WeakPolarHBondContact O-CD1 3.45Å; Y741-L745 WeakPolarHBondContact O-CG 2.85Å; Y741-L745 PolarHBondContact O-N 3.34Å; Y741-L745 VanDerWaalsContact O-N 3.15Å; Y741-V767 HydrophobicContact CD1-CG1 3.99Å; Y741-V767 HydrophobicContact CG-CG1 4.12Å; Y741-K770 HydrophobicContact CD2-CB 3.96Å; Y741-K770 HydrophobicContact CE1-CB 4.41Å; Y741-K770 HydrophobicContact CE1-CD 4Å; Y741-K770 HydrophobicContact CE2-CB 3.54Å; Y741-K770 HydrophobicContact CE2-CD 4.37Å; Y741-L774 HydrophobicContact CD2-CD1 3.66Å; Y741-L774 HydrophobicContact CE2-CD1 3.57Å; Y741-L774 HydrophobicContact CE2-CG 4.38Å
742	F	91.5	Very high	90.8	Very high	4 Å²	4	21.2 Å²	21.2	2%	0.018	10%	0.101	C	C	.	.	H	α-helix	trans	-68.8	-44.3	174.1	175.6	-82.8	0	0	0	111.3	K375 K738 K739 T740 L745 I746 Y771 Y1049 V1052	K375-F742 HydrophobicContact CB-CD1 4.08Å; K375-F742 HydrophobicContact CB-CE1 4.37Å; K375-F742 HydrophobicContact CD-CD1 3.49Å; K375-F742 VanDerWaalsContact CD-CD1 3.49Å; K375-F742 HydrophobicContact CD-CD2 4.2Å; K375-F742 HydrophobicContact CD-CE1 3.58Å; K375-F742 HydrophobicContact CD-CE2 4.27Å; K375-F742 HydrophobicContact CD-CG 3.82Å; K375-F742 HydrophobicContact CD-CZ 3.97Å; K375-F742 HydrophobicContact CG-CD1 3.71Å; K375-F742 HydrophobicContact CG-CE1 3.59Å; K375-F742 HydrophobicContact CG-CZ 4.31Å; K738-F742 WeakPolarHBondContact O-CB 3.43Å; K738-F742 PolarHBondContact O-N 3.32Å; K739-F742 CarbonylContact O-C 3.54Å; K739-F742 WeakPolarHBondContact O-CA 3.39Å; K739-F742 WeakPolarHBondContact O-CB 3.28Å; K739-F742 PolarHBondContact O-N 3.2Å; T740-F742 PolarHBondContact O-N 3.39Å; F742-L745 PolarHBondContact O-N 3.18Å; F742-I746 HydrophobicContact CD1-CG2 4.38Å; F742-I746 HydrophobicContact CE1-CD1 4.13Å; F742-I746 HydrophobicContact CE1-CG2 3.9Å; F742-I746 HydrophobicContact CE2-CG2 4.45Å; F742-I746 HydrophobicContact CZ-CG2 3.94Å; F742-I746 PolarHBondContact O-N 2.89Å; F742-Y771 HydrophobicContact CB-CE2 4.01Å; F742-Y1049 HydrophobicContact CE1-CD1 4.24Å; F742-Y1049 HydrophobicContact CE1-CE1 4.12Å; F742-Y1049 HydrophobicContact CE1-CE2 4.46Å; F742-Y1049 HydrophobicContact CE1-CG 4.48Å; F742-Y1049 HydrophobicContact CE2-CG 4.26Å; F742-Y1049 AromaticContact CZ-CD1 3.6Å; F742-Y1049 HydrophobicContact CZ-CD1 3.6Å; F742-Y1049 AromaticContact CZ-CD2 3.72Å; F742-Y1049 HydrophobicContact CZ-CD2 3.72Å; F742-Y1049 AromaticContact CZ-CE1 3.92Å; F742-Y1049 HydrophobicContact CZ-CE1 3.92Å; F742-Y1049 HydrophobicContact CZ-CE2 4.02Å; F742-Y1049 AromaticContact CZ-CG 3.51Å; F742-Y1049 HydrophobicContact CZ-CG 3.51Å; F742-V1052 HydrophobicContact CD2-CB 4.06Å; F742-V1052 HydrophobicContact CD2-CG1 3.97Å; F742-V1052 HydrophobicContact CD2-CG2 3.8Å; F742-V1052 HydrophobicContact CE2-CB 4.17Å; F742-V1052 HydrophobicContact CE2-CG1 4.44Å; F742-V1052 HydrophobicContact CE2-CG2 3.41Å; F742-V1052 VanDerWaalsContact CE2-CG2 3.41Å; F742-V1052 HydrophobicContact CZ-CG2 4.34Å
743	N	90.7	Very high	90.9	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.005	11%	0.11	C	C	.	.	H	α-helix	trans	-62.8	-42.6	178.3	-67.7	-12.9	0	0	0	111.1	R374 K375 K739 T740 L745 I746	R374-N743 HydrophobicContact CG-CB 4.47Å; K375-N743 PolarHBondContact N-OD1 3.49Å; K739-N743 VanDerWaalsContact O-CG 3.31Å; K739-N743 PolarHBondContact O-N 2.92Å; T740-N743 PolarHBondContact O-N 3.2Å; T740-N743 VanDerWaalsContact O-N 3.11Å; N743-L745 VanDerWaalsContact C-N 3.32Å; N743-L745 PolarHBondContact O-N 3.18Å; N743-I746 WeakPolarHBondContact O-CG1 3.18Å; N743-I746 PolarHBondContact O-N 2.89Å
744	I	89.5	Confident	90.9	Very high	21 Å²	21	23.3 Å²	23.3	11%	0.108	11%	0.108	C	C	.	.	H	α-helix	trans	-59.3	-41.9	172.8	-67.9	167.5	0	0	0	111.4	T740 I746 R750 V767	T740-I744 HydrophobicContact CG2-CD1 4.07Å; T740-I744 WeakPolarHBondContact O-CG1 2.94Å; T740-I744 PolarHBondContact O-N 3.26Å; I744-I746 PolarHBondContact O-N 2.87Å; I744-R750 HydrophobicContact CG2-CB 4.12Å; I744-R750 WeakPolarHBondContact O-CB 3.46Å; I744-V767 HydrophobicContact CB-CG1 4.49Å; I744-V767 HydrophobicContact CG2-CG1 4.14Å; I744-V767 HydrophobicContact CG2-CG2 4.28Å
745	L	90.9	Very high	90.9	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.005	10%	0.1	C	C	.	.	H	α-helix	trans	-77.4	-14.4	-176	-75.5	171.6	0	0	0	115	Y741 F742 N743 L751 V767 V768 L850 V1052	Y741-L745 WeakPolarHBondContact O-CB 3.42Å; Y741-L745 WeakPolarHBondContact O-CD1 3.45Å; Y741-L745 WeakPolarHBondContact O-CG 2.85Å; Y741-L745 PolarHBondContact O-N 3.34Å; Y741-L745 VanDerWaalsContact O-N 3.15Å; F742-L745 PolarHBondContact O-N 3.18Å; N743-L745 VanDerWaalsContact C-N 3.32Å; N743-L745 PolarHBondContact O-N 3.18Å; L745-L751 HydrophobicContact CD2-CD1 3.88Å; L745-V767 HydrophobicContact CD1-CG1 4.02Å; L745-V767 HydrophobicContact CD2-CB 3.96Å; L745-V767 HydrophobicContact CD2-CG1 4.1Å; L745-V767 HydrophobicContact CG-CB 4.21Å; L745-V767 HydrophobicContact CG-CG1 3.76Å; L745-V768 HydrophobicContact CD1-CG2 4.06Å; L745-V768 HydrophobicContact CD2-CG2 3.55Å; L745-V768 HydrophobicContact CG-CG2 4.49Å; L745-L850 HydrophobicContact CB-CD1 4.11Å; L745-L850 HydrophobicContact CD2-CD1 4.43Å; L745-V1052 HydrophobicContact CB-CG1 3.65Å; L745-V1052 HydrophobicContact CD1-CG1 3.62Å; L745-V1052 HydrophobicContact CG-CG1 4.29Å
746	I	87.6	Confident	91.1	Very high	10 Å²	10	19.7 Å²	19.7	5%	0.051	9%	0.087	C	C	.	.	H	α-helix	trans	-91.7	-19.3	176.7	59.2	167.2	0	0	0	113.6	F742 N743 I744 N851 Y1049	F742-I746 HydrophobicContact CD1-CG2 4.38Å; F742-I746 HydrophobicContact CE1-CD1 4.13Å; F742-I746 HydrophobicContact CE1-CG2 3.9Å; F742-I746 HydrophobicContact CE2-CG2 4.45Å; F742-I746 HydrophobicContact CZ-CG2 3.94Å; F742-I746 PolarHBondContact O-N 2.89Å; N743-I746 WeakPolarHBondContact O-CG1 3.18Å; N743-I746 PolarHBondContact O-N 2.89Å; I744-I746 PolarHBondContact O-N 2.87Å; I746-N851 HydrophobicContact CB-CB 4.19Å; I746-Y1049 HydrophobicContact CD1-CE1 4.32Å; I746-Y1049 HydrophobicContact CG2-CD1 4.01Å; I746-Y1049 HydrophobicContact CG2-CE1 4.34Å
747	K	88.2	Confident	91.2	Very high	63 Å²	63	18.8 Å²	18.8	27%	0.274	8%	0.083	S	C	.	.	S	Bend	trans	-75.9	132.2	171.4	-67.5	179.9	175.1	173.1	0	109.5	E129 D749 R750 L751	E129-K747 IonicContact OE1-NZ 3.85Å; K747-D749 WeakPolarHBondContact CB-OD1 3.2Å; K747-R750 HydrophobicContact CB-CB 4.16Å; K747-R750 HydrophobicContact CB-CG 4.02Å; K747-R750 HydrophobicContact CD-CG 4.08Å; K747-L751 WeakPolarHBondContact O-CB 3.39Å; K747-L751 PolarHBondContact O-N 3.48Å
748	H	87.6	Confident	91.3	Very high	18 Å²	18	19.5 Å²	19.5	8%	0.083	9%	0.087	C	C	.	.	H	α-helix	trans	-70.5	-45.6	-173.6	47.9	-82.4	0	0	0	112.7	L751 G752 E919 V1026	H748-L751 PolarHBondContact O-N 2.89Å; H748-G752 PolarHBondContact O-N 3.08Å; H748-E919 IonicContact CD2-OE1 3.72Å; H748-E919 PolarHBondContact CD2-OE1 3.19Å; H748-E919 VanDerWaalsContact CD2-OE1 3.24Å; H748-E919 IonicContact CD2-OE2 3.47Å; H748-E919 IonicContact CE1-OE2 3.7Å; H748-E919 IonicContact NE2-OE1 2.66Å; H748-E919 PolarHBondContact NE2-OE1 3.23Å; H748-E919 IonicContact NE2-OE2 2.77Å; H748-E919 PolarHBondContact NE2-OE2 3.05Å; H748-V1026 HydrophobicContact CB-CB 4.36Å; H748-V1026 HydrophobicContact CB-CG1 3.88Å
749	D	85.5	Confident	91.5	Very high	44 Å²	44	17.2 Å²	17.2	24%	0.235	8%	0.077	C	C	.	.	H	α-helix	trans	-56.5	-48.8	177	73.2	-55.9	0	0	0	112.3	K747 L751 G752 R753 E858	K747-D749 WeakPolarHBondContact CB-OD1 3.2Å; D749-L751 VanDerWaalsContact C-N 3.3Å; D749-L751 PolarHBondContact O-N 2.81Å; D749-G752 PolarHBondContact O-N 2.63Å; D749-R753 WeakPolarHBondContact O-CB 3.18Å; D749-R753 PolarHBondContact O-N 3.05Å; D749-E858 WeakPolarHBondContact CA-OE2 3.5Å
750	R	90.1	Very high	91.7	Very high	63 Å²	63	16.6 Å²	16.6	24%	0.238	7%	0.074	C	C	.	.	H	α-helix	trans	-66.1	-36.7	-178.5	-63.1	-52.7	-161.2	-157.6	13.6	110.5	E138 I744 K747 D754	E138-R750 IonicContact OE1-CZ 3.82Å; E138-R750 IonicContact OE1-NH1 2.69Å; E138-R750 PolarHBondContact OE1-NH1 2.76Å; E138-R750 IonicContact OE1-NH2 2.78Å; I744-R750 HydrophobicContact CG2-CB 4.12Å; I744-R750 WeakPolarHBondContact O-CB 3.46Å; K747-R750 HydrophobicContact CB-CB 4.16Å; K747-R750 HydrophobicContact CB-CG 4.02Å; K747-R750 HydrophobicContact CD-CG 4.08Å; R750-D754 PolarHBondContact O-N 3.5Å
751	L	92	Very high	91.8	Very high	2 Å²	2	16.7 Å²	16.7	1%	0.01	7%	0.074	C	C	.	.	H	α-helix	trans	-70.4	-41.2	175.9	-179.6	59.9	0	0	0	112.4	L745 K747 H748 D749 R753 D754 V755 L850 V1026 L1055	L745-L751 HydrophobicContact CD2-CD1 3.88Å; K747-L751 WeakPolarHBondContact O-CB 3.39Å; K747-L751 PolarHBondContact O-N 3.48Å; H748-L751 PolarHBondContact O-N 2.89Å; D749-L751 VanDerWaalsContact C-N 3.3Å; D749-L751 PolarHBondContact O-N 2.81Å; L751-R753 VanDerWaalsContact C-N 3.34Å; L751-D754 PolarHBondContact O-N 2.81Å; L751-V755 HydrophobicContact CD1-CG2 4.29Å; L751-V755 WeakPolarHBondContact O-CB 3.23Å; L751-V755 VanDerWaalsContact O-CG2 3.31Å; L751-V755 WeakPolarHBondContact O-CG2 3.37Å; L751-V755 PolarHBondContact O-N 3.4Å; L751-L850 HydrophobicContact CD1-CD1 4.45Å; L751-L850 HydrophobicContact CD2-CD1 4.12Å; L751-L850 HydrophobicContact CD2-CG 4.06Å; L751-V1026 HydrophobicContact CB-CG2 4.37Å; L751-V1026 HydrophobicContact CD2-CG1 3.96Å; L751-V1026 HydrophobicContact CD2-CG2 4.5Å; L751-V1026 HydrophobicContact CG-CG1 4.49Å; L751-V1026 HydrophobicContact CG-CG2 4.21Å; L751-L1055 HydrophobicContact CD1-CD2 3.91Å
752	G	92.9	Very high	91.7	Very high	2 Å²	2	18.5 Å²	18.5	2%	0.021	8%	0.083	C	C	.	.	H	α-helix	trans	-67.2	-37.1	177.3	0	0	0	0	0	111.9	H748 D749 V755 R756 E858 V1026	H748-G752 PolarHBondContact O-N 3.08Å; D749-G752 PolarHBondContact O-N 2.63Å; G752-V755 PolarHBondContact O-N 3.28Å; G752-R756 WeakPolarHBondContact O-CB 3.47Å; G752-R756 PolarHBondContact O-N 2.94Å; G752-E858 VanDerWaalsContact CA-OE2 3.28Å; G752-E858 WeakPolarHBondContact CA-OE2 3.44Å; G752-V1026 VanDerWaalsContact CA-CG2 3.5Å
753	R	92.5	Very high	91.3	Very high	73 Å²	73	24 Å²	24	28%	0.275	11%	0.109	S	C	.	.	H	α-helix	trans	-59.4	-53.4	169.1	-173.8	168.2	76	-174.3	3.3	112.5	E138 D749 L751 V755 R756 L757	E138-R753 IonicContact OE1-CZ 2.67Å; E138-R753 IonicContact OE1-NH1 2.84Å; E138-R753 PolarHBondContact OE1-NH1 3.2Å; E138-R753 IonicContact OE1-NH2 3.2Å; E138-R753 IonicContact OE2-NH1 3.09Å; D749-R753 WeakPolarHBondContact O-CB 3.18Å; D749-R753 PolarHBondContact O-N 3.05Å; L751-R753 VanDerWaalsContact C-N 3.34Å; R753-V755 VanDerWaalsContact C-N 3.3Å; R753-V755 PolarHBondContact O-N 3.23Å; R753-R756 PolarHBondContact O-N 3.37Å; R753-L757 HydrophobicContact CG-CD1 3.6Å; R753-L757 HydrophobicContact CG-CG 4.42Å; R753-L757 WeakPolarHBondContact O-CB 3.39Å; R753-L757 WeakPolarHBondContact O-CD1 3.22Å; R753-L757 VanDerWaalsContact O-CG 3.32Å; R753-L757 WeakPolarHBondContact O-CG 3.45Å; R753-L757 PolarHBondContact O-N 3.15Å
754	D	93.8	Very high	91.3	Very high	10 Å²	10	24.9 Å²	24.9	5%	0.053	11%	0.112	C	C	.	.	H	α-helix	trans	-56.2	-43.3	177.2	-178.3	53.3	0	0	0	111.3	R750 L751 L758 S766 V767	R750-D754 PolarHBondContact O-N 3.5Å; L751-D754 PolarHBondContact O-N 2.81Å; D754-L758 WeakPolarHBondContact O-CB 3.31Å; D754-L758 PolarHBondContact O-N 2.86Å; D754-S766 WeakPolarHBondContact OD1-CA 3.26Å; D754-S766 WeakPolarHBondContact OD2-CB 3.39Å; D754-V767 HydrophobicContact CB-CG2 4.47Å; D754-V767 PolarHBondContact OD1-N 3.43Å; D754-V767 PolarHBondContact OD2-N 2.94Å
755	V	95.2	Very high	91.4	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-66.7	-44.3	178.1	171.5	0	0	0	0	112.3	L751 G752 R753 L758 I759 V847 V1024 L1055 I1074	L751-V755 HydrophobicContact CD1-CG2 4.29Å; L751-V755 WeakPolarHBondContact O-CB 3.23Å; L751-V755 VanDerWaalsContact O-CG2 3.31Å; L751-V755 WeakPolarHBondContact O-CG2 3.37Å; L751-V755 PolarHBondContact O-N 3.4Å; G752-V755 PolarHBondContact O-N 3.28Å; R753-V755 VanDerWaalsContact C-N 3.3Å; R753-V755 PolarHBondContact O-N 3.23Å; V755-L758 PolarHBondContact O-N 2.71Å; V755-I759 HydrophobicContact CG1-CD1 4.02Å; V755-I759 WeakPolarHBondContact O-CD1 3.19Å; V755-I759 VanDerWaalsContact O-CG1 3.3Å; V755-I759 WeakPolarHBondContact O-CG1 3.47Å; V755-I759 PolarHBondContact O-N 3.08Å; V755-I759 VanDerWaalsContact O-N 3.17Å; V755-V847 HydrophobicContact CG2-CG2 4.48Å; V755-V1024 HydrophobicContact CB-CG1 4.06Å; V755-V1024 HydrophobicContact CG1-CG1 3.69Å; V755-L1055 HydrophobicContact CG2-CD1 4.04Å; V755-I1074 HydrophobicContact CG1-CD1 4.19Å
756	R	95.3	Very high	91.4	Very high	6 Å²	6	26.5 Å²	26.5	2%	0.023	12%	0.117	C	C	.	.	H	α-helix	trans	-58.8	-50.1	176.1	178.1	177.6	59	107.4	-3.4	110.5	E137 G752 R753 I759 L760 V1024	E137-R756 IonicContact OE1-CZ 2.78Å; E137-R756 IonicContact OE1-NH1 3.96Å; E137-R756 PolarHBondContact OE1-NH1 3.4Å; E137-R756 IonicContact OE1-NH2 3.69Å; E137-R756 PolarHBondContact OE1-NH2 3.29Å; E137-R756 IonicContact OE2-CZ 3.52Å; E137-R756 IonicContact OE2-NH1 2.76Å; E137-R756 IonicContact OE2-NH2 2.79Å; E137-R756 PolarHBondContact OE2-NH2 2.89Å; G752-R756 WeakPolarHBondContact O-CB 3.47Å; G752-R756 PolarHBondContact O-N 2.94Å; R753-R756 PolarHBondContact O-N 3.37Å; R756-I759 PolarHBondContact O-N 3.48Å; R756-L760 HydrophobicContact CG-CD1 3.81Å; R756-L760 HydrophobicContact CG-CG 4.44Å; R756-L760 WeakPolarHBondContact O-CG 3.38Å; R756-L760 PolarHBondContact O-N 3.29Å; R756-V1024 HydrophobicContact CB-CG2 4.19Å
757	L	94.1	Very high	91.6	Very high	3 Å²	3	26.6 Å²	26.6	2%	0.016	12%	0.118	C	C	.	.	H	α-helix	trans	-68.7	-36.2	-177.5	-64.7	162.5	0	0	0	112	E134 R753 I759 L760 E761 T908	E134-L757 WeakPolarHBondContact OE1-CD1 3.14Å; E134-L757 WeakPolarHBondContact OE2-CD1 3.22Å; E134-L757 WeakPolarHBondContact OE2-CD2 3.41Å; R753-L757 HydrophobicContact CG-CD1 3.6Å; R753-L757 HydrophobicContact CG-CG 4.42Å; R753-L757 WeakPolarHBondContact O-CB 3.39Å; R753-L757 WeakPolarHBondContact O-CD1 3.22Å; R753-L757 VanDerWaalsContact O-CG 3.32Å; R753-L757 WeakPolarHBondContact O-CG 3.45Å; R753-L757 PolarHBondContact O-N 3.15Å; L757-I759 PolarHBondContact O-N 2.8Å; L757-L760 PolarHBondContact O-N 2.65Å; L757-L760 VanDerWaalsContact O-N 3.13Å; L757-E761 WeakPolarHBondContact O-CB 3.48Å; L757-E761 PolarHBondContact O-N 2.89Å; L757-T908 HydrophobicContact CD2-CG2 4.05Å
758	L	94.2	Very high	91.8	Very high	16 Å²	16	23.7 Å²	23.7	8%	0.084	11%	0.105	C	C	.	.	H	α-helix	trans	-63.6	-27.2	173.4	-170.4	69.4	0	0	0	113.1	D754 V755 R764 I1074	D754-L758 WeakPolarHBondContact O-CB 3.31Å; D754-L758 PolarHBondContact O-N 2.86Å; V755-L758 PolarHBondContact O-N 2.71Å; L758-R764 WeakPolarHBondContact CD1-O 3.38Å; L758-I1074 HydrophobicContact CB-CG2 4.42Å; L758-I1074 HydrophobicContact CD2-CB 4.43Å; L758-I1074 HydrophobicContact CD2-CD1 3.97Å; L758-I1074 HydrophobicContact CD2-CG2 4.12Å; L758-I1074 HydrophobicContact CG-CG2 3.88Å; L758-I1074 WeakPolarHBondContact O-CG2 3.43Å
759	I	95.9	Very high	92	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-80.5	-35.3	173	-65.8	164.3	0	0	0	111.2	V755 R756 L757 V836 C845 L1022 V1024 I1071 I1074 F1077 T1078	V755-I759 HydrophobicContact CG1-CD1 4.02Å; V755-I759 WeakPolarHBondContact O-CD1 3.19Å; V755-I759 VanDerWaalsContact O-CG1 3.3Å; V755-I759 WeakPolarHBondContact O-CG1 3.47Å; V755-I759 PolarHBondContact O-N 3.08Å; V755-I759 VanDerWaalsContact O-N 3.17Å; R756-I759 PolarHBondContact O-N 3.48Å; L757-I759 PolarHBondContact O-N 2.8Å; I759-V836 WeakPolarHBondContact O-CG2 3.15Å; I759-C845 HydrophobicContact CD1-CB 3.79Å; I759-L1022 HydrophobicContact CB-CD2 4.19Å; I759-L1022 HydrophobicContact CD1-CD1 4.16Å; I759-L1022 HydrophobicContact CD1-CD2 4.43Å; I759-L1022 HydrophobicContact CG2-CD1 4.23Å; I759-L1022 HydrophobicContact CG2-CD2 3.67Å; I759-V1024 HydrophobicContact CD1-CG2 4.38Å; I759-I1071 HydrophobicContact CD1-CD1 4.21Å; I759-I1071 HydrophobicContact CG2-CD1 4.25Å; I759-I1074 HydrophobicContact CB-CG2 4.39Å; I759-I1074 HydrophobicContact CD1-CD1 4.33Å; I759-I1074 HydrophobicContact CD1-CG1 4.36Å; I759-I1074 HydrophobicContact CG1-CB 4.38Å; I759-I1074 HydrophobicContact CG1-CD1 4.04Å; I759-I1074 HydrophobicContact CG1-CG1 3.9Å; I759-I1074 HydrophobicContact CG1-CG2 3.62Å; I759-F1077 HydrophobicContact CG2-CD1 4.26Å; I759-F1077 HydrophobicContact CG2-CE1 3.98Å; I759-T1078 WeakPolarHBondContact O-CG2 3.24Å
760	L	95.1	Very high	92.4	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-88	-44.7	-174.1	-66.3	179.5	0	0	0	113.8	R756 L757 V835 V836 L838 Y862 T908 L1022	R756-L760 HydrophobicContact CG-CD1 3.81Å; R756-L760 HydrophobicContact CG-CG 4.44Å; R756-L760 WeakPolarHBondContact O-CG 3.38Å; R756-L760 PolarHBondContact O-N 3.29Å; L757-L760 PolarHBondContact O-N 2.65Å; L757-L760 VanDerWaalsContact O-N 3.13Å; L760-V835 HydrophobicContact CB-CG1 4.3Å; L760-V835 CarbonylContact O-C 3.57Å; L760-V835 VanDerWaalsContact O-CA 3.25Å; L760-V835 WeakPolarHBondContact O-CA 3.19Å; L760-V836 HydrophobicContact CD2-CG2 4.46Å; L760-V836 PolarHBondContact O-N 3.06Å; L760-L838 HydrophobicContact CD2-CD1 3.94Å; L760-L838 HydrophobicContact CD2-CD2 4.49Å; L760-L838 HydrophobicContact CD2-CG 4.26Å; L760-Y862 HydrophobicContact CD1-CD1 4.08Å; L760-Y862 HydrophobicContact CD1-CE1 3.6Å; L760-Y862 HydrophobicContact CD2-CD1 4.35Å; L760-Y862 HydrophobicContact CD2-CE1 3.79Å; L760-Y862 HydrophobicContact CG-CE1 4.36Å; L760-T908 HydrophobicContact CB-CG2 4.18Å; L760-T908 HydrophobicContact CD1-CG2 4.43Å; L760-L1022 HydrophobicContact CD2-CD2 4.15Å; L760-L1022 HydrophobicContact CG-CD2 4.39Å
761	E	93.1	Very high	92.6	Very high	10 Å²	10	20.9 Å²	20.9	5%	0.047	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	119.7	-171.3	-60.7	-159.7	123.9	0	0	112.9	L757 R764 F833 T908 S909	L757-E761 WeakPolarHBondContact O-CB 3.48Å; L757-E761 PolarHBondContact O-N 2.89Å; E761-R764 HydrophobicContact CB-CB 4.01Å; E761-R764 WeakPolarHBondContact O-CB 3.42Å; E761-R764 PolarHBondContact O-N 3.29Å; E761-R764 IonicContact OE2-CZ 3.48Å; E761-R764 IonicContact OE2-NE 3.87Å; E761-R764 IonicContact OE2-NH1 2.98Å; E761-R764 PolarHBondContact OE2-NH1 3Å; E761-F833 HydrophobicContact CB-CB 4.07Å; E761-F833 HydrophobicContact CB-CD2 4.35Å; E761-F833 HydrophobicContact CB-CG 4.22Å; E761-F833 VanDerWaalsContact CD-CD2 3.5Å; E761-F833 HydrophobicContact CG-CB 4.34Å; E761-F833 WeakPolarHBondContact OE1-CD2 3.46Å; E761-F833 VanDerWaalsContact OE2-CD2 3.27Å; E761-F833 WeakPolarHBondContact OE2-CD2 3.4Å; E761-T908 HydrophobicContact CG-CG2 3.62Å; E761-S909 WeakPolarHBondContact OE1-CB 3.35Å; E761-S909 PolarHBondContact OE1-OG 3Å
762	H	89.3	Confident	92.6	Very high	41 Å²	41	25.1 Å²	25.1	19%	0.19	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	129.7	-175	-171.4	-80.3	0	0	0	112.4	R764 R834 L1083	H762-R764 VanDerWaalsContact C-N 3.35Å; H762-R834 VanDerWaalsContact CB-O 3.3Å; H762-R834 WeakPolarHBondContact CB-O 3.46Å; H762-R834 PolarHBondContact N-O 3.19Å; H762-L1083 HydrophobicContact CB-CD1 3.97Å; H762-L1083 HydrophobicContact CB-CD2 3.68Å; H762-L1083 HydrophobicContact CB-CG 4.49Å
763	H	84.9	Confident	92.6	Very high	121 Å²	121	25.4 Å²	25.4	56%	0.56	11%	0.11	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.3	6.2	-169.5	-51.4	126.5	0	0	0	116.2	W765	H763-W765 PolarHBondContact O-NE1 2.96Å
764	R	89.8	Confident	92.6	Very high	19 Å²	19	22.7 Å²	22.7	7%	0.072	10%	0.1	C	C	.	.			trans	-59.8	142	170.8	-169	178	-171.7	75.6	14.9	111.2	E134 E695 L758 E761 H762	E134-R764 IonicContact OE1-CZ 2.64Å; E134-R764 IonicContact OE1-NH1 3.88Å; E134-R764 PolarHBondContact OE1-NH1 3.39Å; E134-R764 IonicContact OE1-NH2 2.72Å; E134-R764 PolarHBondContact OE1-NH2 2.88Å; E695-R764 IonicContact OE1-CZ 2.78Å; E695-R764 IonicContact OE1-NH1 2.73Å; E695-R764 PolarHBondContact OE1-NH1 3.03Å; E695-R764 IonicContact OE1-NH2 2.97Å; E695-R764 PolarHBondContact OE1-NH2 3.13Å; L758-R764 WeakPolarHBondContact CD1-O 3.38Å; E761-R764 HydrophobicContact CB-CB 4.01Å; E761-R764 WeakPolarHBondContact O-CB 3.42Å; E761-R764 PolarHBondContact O-N 3.29Å; E761-R764 IonicContact OE2-CZ 3.48Å; E761-R764 IonicContact OE2-NE 3.87Å; E761-R764 IonicContact OE2-NH1 2.98Å; E761-R764 PolarHBondContact OE2-NH1 3Å; H762-R764 VanDerWaalsContact C-N 3.35Å
765	W	91.1	Very high	92.4	Very high	53 Å²	53	25.7 Å²	25.7	20%	0.201	12%	0.119	C	C	.	.			trans	-108.5	125.4	174.9	-55.9	90.8	0	0	0	109.5	Q655 P658 L661 H763	Q655-W765 PolarHBondContact O-NE1 3.08Å; Q655-W765 VanDerWaalsContact O-NE1 3.15Å; P658-W765 HydrophobicContact CB-CB 4.43Å; P658-W765 HydrophobicContact CB-CD2 4.06Å; P658-W765 HydrophobicContact CB-CE3 3.8Å; P658-W765 HydrophobicContact CB-CG 4.33Å; P658-W765 HydrophobicContact CB-CZ3 4.45Å; P658-W765 HydrophobicContact CG-CD2 4.33Å; P658-W765 HydrophobicContact CG-CE3 3.74Å; P658-W765 HydrophobicContact CG-CZ3 3.88Å; L661-W765 HydrophobicContact CD1-CB 3.75Å; L661-W765 VanDerWaalsContact CD1-CD1 3.41Å; L661-W765 HydrophobicContact CD1-CG 3.84Å; H763-W765 PolarHBondContact O-NE1 2.96Å
766	S	91.4	Very high	92.1	Very high	3 Å²	3	33.1 Å²	33.1	2%	0.021	15%	0.154	C	C	.	.			trans	-75.5	157.9	-173	70.3	0	0	0	0	113.5	D754 V768 Q769 K770	D754-S766 WeakPolarHBondContact OD1-CA 3.26Å; D754-S766 WeakPolarHBondContact OD2-CB 3.39Å; S766-V768 PolarHBondContact O-N 3.3Å; S766-Q769 WeakPolarHBondContact O-CA 3.37Å; S766-Q769 WeakPolarHBondContact O-CB 3.35Å; S766-Q769 PolarHBondContact O-N 2.78Å; S766-Q769 WeakPolarHBondContact OG-CG 3.36Å; S766-Q769 PolarHBondContact OG-N 3.03Å; S766-Q769 PolarHBondContact OG-NE2 3.07Å; S766-K770 PolarHBondContact O-N 3.18Å
767	V	92	Very high	91.7	Very high	11 Å²	11	34.9 Å²	34.9	7%	0.067	17%	0.174	C	C	.	.	H	α-helix	trans	-59.2	-35.2	176.3	-176.3	0	0	0	0	111	Y741 I744 L745 D754 Q769 K770 Y771	Y741-V767 HydrophobicContact CD1-CG1 3.99Å; Y741-V767 HydrophobicContact CG-CG1 4.12Å; I744-V767 HydrophobicContact CB-CG1 4.49Å; I744-V767 HydrophobicContact CG2-CG1 4.14Å; I744-V767 HydrophobicContact CG2-CG2 4.28Å; L745-V767 HydrophobicContact CD1-CG1 4.02Å; L745-V767 HydrophobicContact CD2-CB 3.96Å; L745-V767 HydrophobicContact CD2-CG1 4.1Å; L745-V767 HydrophobicContact CG-CB 4.21Å; L745-V767 HydrophobicContact CG-CG1 3.76Å; D754-V767 HydrophobicContact CB-CG2 4.47Å; D754-V767 PolarHBondContact OD1-N 3.43Å; D754-V767 PolarHBondContact OD2-N 2.94Å; V767-Q769 VanDerWaalsContact C-N 3.26Å; V767-Q769 PolarHBondContact O-N 3.07Å; V767-K770 PolarHBondContact O-N 3.22Å; V767-Y771 WeakPolarHBondContact O-CB 3.27Å; V767-Y771 PolarHBondContact O-N 3.19Å
768	V	92.3	Very high	91.6	Very high	3 Å²	3	35.6 Å²	35.6	2%	0.018	18%	0.178	C	C	.	.	H	α-helix	trans	-57.5	-37.1	171.2	-179.5	0	0	0	0	112.4	L745 S766 R772 S1053 L1055	L745-V768 HydrophobicContact CD1-CG2 4.06Å; L745-V768 HydrophobicContact CD2-CG2 3.55Å; L745-V768 HydrophobicContact CG-CG2 4.49Å; S766-V768 PolarHBondContact O-N 3.3Å; V768-R772 VanDerWaalsContact O-CG 3.32Å; V768-R772 WeakPolarHBondContact O-CG 3.42Å; V768-R772 PolarHBondContact O-N 2.97Å; V768-R772 VanDerWaalsContact O-N 3.15Å; V768-S1053 WeakPolarHBondContact CG1-O 3.47Å; V768-L1055 HydrophobicContact CG2-CD2 3.92Å; V768-L1055 HydrophobicContact CG2-CG 4.25Å
769	Q	92.4	Very high	91.5	Very high	29 Å²	29	40 Å²	40	14%	0.136	20%	0.198	C	C	.	.	H	α-helix	trans	-74.8	-41.5	177.6	-66.4	158.2	25.9	0	0	111.1	S766 V767 Y771 R772 V773 R1075	S766-Q769 WeakPolarHBondContact O-CA 3.37Å; S766-Q769 WeakPolarHBondContact O-CB 3.35Å; S766-Q769 PolarHBondContact O-N 2.78Å; S766-Q769 WeakPolarHBondContact OG-CG 3.36Å; S766-Q769 PolarHBondContact OG-N 3.03Å; S766-Q769 PolarHBondContact OG-NE2 3.07Å; V767-Q769 VanDerWaalsContact C-N 3.26Å; V767-Q769 PolarHBondContact O-N 3.07Å; Q769-Y771 PolarHBondContact O-N 3.25Å; Q769-R772 WeakPolarHBondContact O-CB 3.27Å; Q769-R772 PolarHBondContact O-N 2.91Å; Q769-V773 PolarHBondContact O-N 3.47Å; Q769-R1075 VanDerWaalsContact CD-NH2 3.34Å
770	K	93.3	Very high	91.5	Very high	9 Å²	9	40.8 Å²	40.8	4%	0.039	20%	0.202	C	C	.	.	H	α-helix	trans	-57.4	-46	172.1	-63.9	-166.4	177.2	-163.5	0	111.6	V662 D665 Y741 S766 V767 R772 V773 L774	V662-K770 HydrophobicContact CG2-CB 3.71Å; V662-K770 HydrophobicContact CG2-CG 4.06Å; D665-K770 IonicContact OD1-NZ 3.16Å; D665-K770 IonicContact OD2-NZ 3.6Å; D665-K770 PolarHBondContact OD2-NZ 2.68Å; Y741-K770 HydrophobicContact CD2-CB 3.96Å; Y741-K770 HydrophobicContact CE1-CB 4.41Å; Y741-K770 HydrophobicContact CE1-CD 4Å; Y741-K770 HydrophobicContact CE2-CB 3.54Å; Y741-K770 HydrophobicContact CE2-CD 4.37Å; S766-K770 PolarHBondContact O-N 3.18Å; V767-K770 PolarHBondContact O-N 3.22Å; K770-R772 PolarHBondContact O-N 2.85Å; K770-V773 PolarHBondContact O-N 2.97Å; K770-L774 PolarHBondContact O-N 2.81Å
771	Y	93.3	Very high	91.6	Very high	28 Å²	28	46.9 Å²	46.9	11%	0.11	23%	0.231	C	C	.	.	H	α-helix	trans	-59.4	-42.5	175.4	-176.9	-97.3	0	0	0	112.6	K738 F742 V767 Q769 V773 L774 T775	K738-Y771 HydrophobicContact CG-CD2 4.29Å; K738-Y771 HydrophobicContact CG-CE2 3.75Å; K738-Y771 WeakPolarHBondContact O-CE2 3.11Å; F742-Y771 HydrophobicContact CB-CE2 4.01Å; V767-Y771 WeakPolarHBondContact O-CB 3.27Å; V767-Y771 PolarHBondContact O-N 3.19Å; Q769-Y771 PolarHBondContact O-N 3.25Å; Y771-V773 VanDerWaalsContact C-N 3.34Å; Y771-V773 PolarHBondContact O-N 2.9Å; Y771-L774 PolarHBondContact O-N 2.94Å; Y771-T775 HydrophobicContact CD1-CG2 4.08Å; Y771-T775 HydrophobicContact CE1-CG2 3.67Å; Y771-T775 WeakPolarHBondContact O-CG2 3.37Å; Y771-T775 PolarHBondContact O-N 3.04Å; Y771-T775 VanDerWaalsContact O-N 3.08Å
772	R	92.6	Very high	91.7	Very high	91 Å²	91	50 Å²	50	34%	0.343	25%	0.246	S	C	.	.	H	α-helix	trans	-59.1	-41.6	176.4	-75	172.6	-167.8	-178.3	3.5	112.7	V768 Q769 K770 L774 T775 Q776 S1053	V768-R772 VanDerWaalsContact O-CG 3.32Å; V768-R772 WeakPolarHBondContact O-CG 3.42Å; V768-R772 PolarHBondContact O-N 2.97Å; V768-R772 VanDerWaalsContact O-N 3.15Å; Q769-R772 WeakPolarHBondContact O-CB 3.27Å; Q769-R772 PolarHBondContact O-N 2.91Å; K770-R772 PolarHBondContact O-N 2.85Å; R772-L774 PolarHBondContact O-N 3.31Å; R772-T775 WeakPolarHBondContact CA-OG1 3.4Å; R772-T775 PolarHBondContact O-N 2.7Å; R772-T775 PolarHBondContact O-OG1 3.25Å; R772-Q776 WeakPolarHBondContact O-CG 3.48Å; R772-Q776 PolarHBondContact O-N 3.34Å; R772-Q776 VanDerWaalsContact O-N 3.13Å; R772-S1053 PolarHBondContact NE-O 2.82Å; R772-S1053 PolarHBondContact NH2-O 3.47Å
773	V	93.8	Very high	92.1	Very high	8 Å²	8	48.1 Å²	48.1	5%	0.048	24%	0.237	C	C	.	.	H	α-helix	trans	-58.1	-48.2	177.7	171.3	0	0	0	0	110.5	P658 V662 Q769 K770 Y771 T775 Q776 G777 L778	P658-V773 HydrophobicContact CB-CG2 3.99Å; P658-V773 HydrophobicContact CG-CG2 4.14Å; V662-V773 HydrophobicContact CB-CG1 4.12Å; V662-V773 HydrophobicContact CG1-CG1 4.24Å; V662-V773 HydrophobicContact CG2-CB 4.14Å; V662-V773 HydrophobicContact CG2-CG1 4.23Å; Q769-V773 PolarHBondContact O-N 3.47Å; K770-V773 PolarHBondContact O-N 2.97Å; Y771-V773 VanDerWaalsContact C-N 3.34Å; Y771-V773 PolarHBondContact O-N 2.9Å; V773-T775 VanDerWaalsContact C-N 3.33Å; V773-T775 PolarHBondContact O-N 2.92Å; V773-Q776 PolarHBondContact O-N 3.16Å; V773-Q776 VanDerWaalsContact O-N 3.07Å; V773-G777 PolarHBondContact O-N 2.84Å; V773-L778 HydrophobicContact CG1-CD1 3.85Å; V773-L778 HydrophobicContact CG1-CD2 3.87Å; V773-L778 HydrophobicContact CG1-CG 3.92Å
774	L	91.9	Very high	92.6	Very high	15 Å²	15	45.7 Å²	45.7	8%	0.079	23%	0.227	C	C	.	.	H	α-helix	trans	-61.2	-39.6	176.8	-69	176.6	0	0	0	112.4	V662 L666 L737 K738 Y741 K770 Y771 R772 Q776 G777 L778	V662-L774 HydrophobicContact CG1-CD1 4.32Å; V662-L774 HydrophobicContact CG1-CD2 3.43Å; V662-L774 VanDerWaalsContact CG1-CD2 3.43Å; V662-L774 HydrophobicContact CG1-CG 3.7Å; L666-L774 HydrophobicContact CD1-CD2 4.27Å; L737-L774 HydrophobicContact CB-CD1 4.03Å; L737-L774 HydrophobicContact CD2-CD1 4.15Å; L737-L774 HydrophobicContact CG-CD1 3.93Å; K738-L774 HydrophobicContact CB-CB 4.18Å; K738-L774 HydrophobicContact CB-CD1 3.77Å; K738-L774 HydrophobicContact CD-CB 4.3Å; Y741-L774 HydrophobicContact CD2-CD1 3.66Å; Y741-L774 HydrophobicContact CE2-CD1 3.57Å; Y741-L774 HydrophobicContact CE2-CG 4.38Å; K770-L774 PolarHBondContact O-N 2.81Å; Y771-L774 PolarHBondContact O-N 2.94Å; R772-L774 PolarHBondContact O-N 3.31Å; L774-Q776 PolarHBondContact O-N 2.96Å; L774-G777 PolarHBondContact O-N 3.19Å; L774-L778 HydrophobicContact CD2-CD1 4.2Å
775	T	88.8	Confident	93	Very high	73 Å²	73	47.8 Å²	47.8	45%	0.448	25%	0.248	S	C	.	.	H	α-helix	trans	-67.7	-17.6	176	63.2	0	0	0	0	114.7	K738 Y771 R772 V773	K738-T775 HydrophobicContact CD-CG2 4.42Å; Y771-T775 HydrophobicContact CD1-CG2 4.08Å; Y771-T775 HydrophobicContact CE1-CG2 3.67Å; Y771-T775 WeakPolarHBondContact O-CG2 3.37Å; Y771-T775 PolarHBondContact O-N 3.04Å; Y771-T775 VanDerWaalsContact O-N 3.08Å; R772-T775 WeakPolarHBondContact CA-OG1 3.4Å; R772-T775 PolarHBondContact O-N 2.7Å; R772-T775 PolarHBondContact O-OG1 3.25Å; V773-T775 VanDerWaalsContact C-N 3.33Å; V773-T775 PolarHBondContact O-N 2.92Å
776	Q	88.8	Confident	93.2	Very high	156 Å²	156	45.6 Å²	45.6	73%	0.729	24%	0.24	S	C	*	.	H	α-helix	trans	-84.2	-18.6	175	-69.7	172.4	33.7	0	0	112.8	R772 V773 L774	R772-Q776 WeakPolarHBondContact O-CG 3.48Å; R772-Q776 PolarHBondContact O-N 3.34Å; R772-Q776 VanDerWaalsContact O-N 3.13Å; V773-Q776 PolarHBondContact O-N 3.16Å; V773-Q776 VanDerWaalsContact O-N 3.07Å; L774-Q776 PolarHBondContact O-N 2.96Å
777	G	86.9	Confident	93.4	Very high	43 Å²	43	45.5 Å²	45.5	44%	0.443	24%	0.239	S	C	.	.			trans	90.7	86.6	171.5	0	0	0	0	0	114.6	V773 L774 Q779	V773-G777 PolarHBondContact O-N 2.84Å; L774-G777 PolarHBondContact O-N 3.19Å; G777-Q779 PolarHBondContact O-NE2 3.05Å
778	L	92.5	Very high	93.5	Very high	18 Å²	18	47.4 Å²	47.4	9%	0.094	26%	0.256	C	S	.	.			trans	-69.2	155.6	170.9	-67.3	176.5	0	0	0	112.4	V662 L663 L666 F730 V773 L774	V662-L778 HydrophobicContact CB-CD1 4.27Å; V662-L778 HydrophobicContact CG1-CD1 3.57Å; L663-L778 HydrophobicContact CD2-CD1 3.87Å; L663-L778 HydrophobicContact CG-CD1 4.22Å; L666-L778 HydrophobicContact CD1-CD1 4.06Å; F730-L778 WeakPolarHBondContact CE1-O 3.4Å; F730-L778 HydrophobicContact CZ-CB 3.97Å; V773-L778 HydrophobicContact CG1-CD1 3.85Å; V773-L778 HydrophobicContact CG1-CD2 3.87Å; V773-L778 HydrophobicContact CG1-CG 3.92Å; L774-L778 HydrophobicContact CD2-CD1 4.2Å
779	Q	92.6	Very high	93.6	Very high	108 Å²	108	49 Å²	49	51%	0.505	27%	0.27	S	S	.	.			trans	-115.7	145	178.1	-55.8	-58.6	-55.9	0	0	111.6	G777 Q781 Q782 L783	G777-Q779 PolarHBondContact O-NE2 3.05Å; Q779-Q781 PolarHBondContact O-N 3.48Å; Q779-Q781 VanDerWaalsContact O-N 3.09Å; Q779-Q782 HydrophobicContact CB-CG 4.45Å; Q779-Q782 WeakPolarHBondContact O-CB 3.4Å; Q779-Q782 PolarHBondContact O-N 2.64Å; Q779-L783 PolarHBondContact O-N 3.04Å
780	V	95.8	Very high	93.6	Very high	17 Å²	17	48.1 Å²	48.1	10%	0.103	27%	0.266	C	S	.	.	H	α-helix	trans	-57	-29.2	-179.9	67.2	0	0	0	0	113.3	T725 P727 F730 Q782 L783 M784	T725-V780 HydrophobicContact CG2-CG2 3.67Å; P727-V780 HydrophobicContact CB-CG1 4.46Å; P727-V780 HydrophobicContact CG-CG1 4.38Å; F730-V780 HydrophobicContact CB-CB 4.06Å; F730-V780 HydrophobicContact CB-CG2 3.82Å; F730-V780 HydrophobicContact CD1-CB 3.81Å; F730-V780 HydrophobicContact CD1-CG2 4.48Å; F730-V780 HydrophobicContact CD2-CB 4.24Å; F730-V780 HydrophobicContact CD2-CG2 4.27Å; F730-V780 HydrophobicContact CE1-CB 4.34Å; F730-V780 HydrophobicContact CG-CB 3.74Å; F730-V780 HydrophobicContact CG-CG2 3.93Å; V780-Q782 VanDerWaalsContact C-N 3.3Å; V780-Q782 PolarHBondContact O-N 2.77Å; V780-L783 PolarHBondContact O-N 2.99Å; V780-M784 WeakPolarHBondContact O-CG 3.44Å; V780-M784 PolarHBondContact O-N 2.93Å
781	Q	96.3	Very high	93.5	Very high	129 Å²	129	49.7 Å²	49.7	60%	0.603	27%	0.273	S	S	*	.	H	α-helix	trans	-67.4	-29	175.4	-63.9	77.2	15.7	0	0	112.8	Q779 A785	Q779-Q781 PolarHBondContact O-N 3.48Å; Q779-Q781 VanDerWaalsContact O-N 3.09Å; Q781-A785 WeakPolarHBondContact O-CB 3.43Å; Q781-A785 PolarHBondContact O-N 3.28Å
782	Q	96.3	Very high	93.4	Very high	76 Å²	76	53 Å²	53	36%	0.355	29%	0.289	S	S	.	.	H	α-helix	trans	-69.5	-42.3	173.6	-63.2	171	-95.5	0	0	110.3	L663 Q779 V780 A785 F786	L663-Q782 HydrophobicContact CD1-CB 4.1Å; L663-Q782 HydrophobicContact CD2-CB 4.19Å; Q779-Q782 HydrophobicContact CB-CG 4.45Å; Q779-Q782 WeakPolarHBondContact O-CB 3.4Å; Q779-Q782 PolarHBondContact O-N 2.64Å; V780-Q782 VanDerWaalsContact C-N 3.3Å; V780-Q782 PolarHBondContact O-N 2.77Å; Q782-A785 PolarHBondContact O-N 3.1Å; Q782-F786 VanDerWaalsContact O-CB 3.3Å; Q782-F786 WeakPolarHBondContact O-CB 3.39Å; Q782-F786 PolarHBondContact O-N 3.02Å
783	L	96.9	Very high	93.4	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-62	-46.1	174.7	177.5	64.1	0	0	0	111.9	L663 L666 F667 I670 F723 T725 F730 Q779 V780 A785 F786 A787	L663-L783 HydrophobicContact CD2-CB 4Å; L663-L783 HydrophobicContact CD2-CD1 4.48Å; L663-L783 WeakPolarHBondContact O-CD1 3.2Å; L666-L783 HydrophobicContact CB-CD1 4.39Å; F667-L783 HydrophobicContact CB-CD1 3.86Å; I670-L783 HydrophobicContact CD1-CD2 3.61Å; F723-L783 HydrophobicContact CZ-CD2 4.44Å; T725-L783 HydrophobicContact CG2-CD2 4.02Å; F730-L783 HydrophobicContact CD2-CB 4.24Å; F730-L783 HydrophobicContact CD2-CD2 3.61Å; F730-L783 HydrophobicContact CE2-CB 3.97Å; F730-L783 HydrophobicContact CE2-CD2 4.01Å; Q779-L783 PolarHBondContact O-N 3.04Å; V780-L783 PolarHBondContact O-N 2.99Å; L783-A785 VanDerWaalsContact C-N 3.32Å; L783-A785 PolarHBondContact O-N 3.03Å; L783-F786 PolarHBondContact O-N 3.42Å; L783-A787 VanDerWaalsContact O-CB 3.29Å; L783-A787 WeakPolarHBondContact O-CB 3.48Å; L783-A787 PolarHBondContact O-N 2.75Å
784	M	96.8	Very high	93.3	Very high	71 Å²	71	51.9 Å²	51.9	35%	0.35	29%	0.287	S	S	.	.	H	α-helix	trans	-65.5	-34.5	178	-67.3	-55	-59.4	0	0	112.7	F723 T725 V780 A788	F723-M784 HydrophobicContact CD1-SD 4.43Å; F723-M784 HydrophobicContact CE1-SD 4.12Å; T725-M784 HydrophobicContact CG2-SD 3.99Å; V780-M784 WeakPolarHBondContact O-CG 3.44Å; V780-M784 PolarHBondContact O-N 2.93Å; M784-A788 WeakPolarHBondContact O-CB 3.4Å; M784-A788 PolarHBondContact O-N 2.76Å; M784-A788 VanDerWaalsContact O-N 3.15Å
785	A	96.5	Very high	93.4	Very high	62 Å²	62	53.9 Å²	53.9	51%	0.512	29%	0.294	S	S	.	.	H	α-helix	trans	-69.9	-42.2	173.8	0	0	0	0	0	112.1	Q781 Q782 L783 A788 A789	Q781-A785 WeakPolarHBondContact O-CB 3.43Å; Q781-A785 PolarHBondContact O-N 3.28Å; Q782-A785 PolarHBondContact O-N 3.1Å; L783-A785 VanDerWaalsContact C-N 3.32Å; L783-A785 PolarHBondContact O-N 3.03Å; A785-A788 PolarHBondContact O-N 2.68Å; A785-A789 PolarHBondContact O-N 3.49Å
786	F	96.3	Very high	93.7	Very high	7 Å²	7	50.4 Å²	50.4	3%	0.031	27%	0.273	C	S	.	.	H	α-helix	trans	-62.1	-49	174.8	172.9	-94.3	0	0	0	111.5	I653 I654 N660 L663 F664 F667 Q782 L783 A788 A789 L790	I653-F786 HydrophobicContact CG2-CE2 4.12Å; I654-F786 HydrophobicContact CG1-CZ 4.37Å; N660-F786 HydrophobicContact CB-CD2 4.28Å; N660-F786 HydrophobicContact CB-CE2 3.91Å; L663-F786 HydrophobicContact CB-CB 4.16Å; L663-F786 HydrophobicContact CB-CD1 3.91Å; L663-F786 HydrophobicContact CB-CD2 4.29Å; L663-F786 HydrophobicContact CB-CE1 4.46Å; L663-F786 HydrophobicContact CB-CG 3.83Å; L663-F786 HydrophobicContact CD1-CB 4.05Å; L663-F786 HydrophobicContact CD1-CG 4.41Å; F664-F786 HydrophobicContact CB-CE1 3.89Å; F664-F786 HydrophobicContact CB-CZ 3.71Å; F664-F786 HydrophobicContact CD2-CE1 4.14Å; F664-F786 HydrophobicContact CD2-CZ 4.15Å; F664-F786 HydrophobicContact CG-CZ 4.35Å; F667-F786 HydrophobicContact CB-CE1 4.48Å; Q782-F786 VanDerWaalsContact O-CB 3.3Å; Q782-F786 WeakPolarHBondContact O-CB 3.39Å; Q782-F786 PolarHBondContact O-N 3.02Å; L783-F786 PolarHBondContact O-N 3.42Å; F786-A788 VanDerWaalsContact C-N 3.25Å; F786-A788 PolarHBondContact O-N 3Å; F786-A789 PolarHBondContact O-N 3.36Å; F786-A789 VanDerWaalsContact O-N 3.14Å; F786-L790 HydrophobicContact CE1-CB 4.41Å; F786-L790 HydrophobicContact CE1-CD2 3.99Å; F786-L790 HydrophobicContact CZ-CB 4.49Å; F786-L790 HydrophobicContact CZ-CD1 4.38Å; F786-L790 HydrophobicContact CZ-CD2 4.34Å; F786-L790 VanDerWaalsContact O-CB 3.29Å; F786-L790 WeakPolarHBondContact O-CB 3.3Å; F786-L790 PolarHBondContact O-N 2.79Å
787	A	95.3	Very high	93.9	Very high	2 Å²	2	43.1 Å²	43.1	2%	0.017	24%	0.239	C	C	.	.	H	α-helix	trans	-62.4	-30.2	178.1	0	0	0	0	0	113.1	F667 F723 L783 K791	F667-A787 HydrophobicContact CD2-CB 3.67Å; F667-A787 HydrophobicContact CE2-CB 3.7Å; F723-A787 HydrophobicContact CD1-CB 3.97Å; F723-A787 HydrophobicContact CE1-CB 4.02Å; L783-A787 VanDerWaalsContact O-CB 3.29Å; L783-A787 WeakPolarHBondContact O-CB 3.48Å; L783-A787 PolarHBondContact O-N 2.75Å; A787-K791 VanDerWaalsContact O-CE 3.28Å; A787-K791 WeakPolarHBondContact O-CE 3.36Å; A787-K791 WeakPolarHBondContact O-CG 3.04Å; A787-K791 PolarHBondContact O-N 2.87Å
788	A	94.3	Very high	94.4	Very high	51 Å²	51	41 Å²	41	42%	0.421	22%	0.218	S	C	.	.	H	α-helix	trans	-70.4	-50	171.1	0	0	0	0	0	111.4	M784 A785 F786 L790 K791 E792	M784-A788 WeakPolarHBondContact O-CB 3.4Å; M784-A788 PolarHBondContact O-N 2.76Å; M784-A788 VanDerWaalsContact O-N 3.15Å; A785-A788 PolarHBondContact O-N 2.68Å; F786-A788 VanDerWaalsContact C-N 3.25Å; F786-A788 PolarHBondContact O-N 3Å; A788-L790 PolarHBondContact O-N 3.27Å; A788-K791 PolarHBondContact O-N 2.94Å; A788-K791 VanDerWaalsContact O-N 3.16Å; A788-E792 PolarHBondContact O-N 2.87Å
789	A	94	Very high	94.7	Very high	36 Å²	36	40.2 Å²	40.2	30%	0.298	21%	0.213	S	C	.	.	H	α-helix	trans	-62.4	-41.4	179.3	0	0	0	0	0	112.6	I653 A785 F786 K791 E792	I653-A789 HydrophobicContact CD1-CB 3.68Å; A785-A789 PolarHBondContact O-N 3.49Å; F786-A789 PolarHBondContact O-N 3.36Å; F786-A789 VanDerWaalsContact O-N 3.14Å; A789-K791 PolarHBondContact O-N 2.7Å; A789-E792 PolarHBondContact O-N 2.97Å
790	L	92.8	Very high	94.9	Very high	10 Å²	10	35 Å²	35	5%	0.052	19%	0.189	C	C	.	.	H	α-helix	trans	-56.6	-37.8	174.6	-178.4	68.9	0	0	0	111.5	I653 I654 F664 F667 F786 A788 L794	I653-L790 HydrophobicContact CG2-CD1 4.02Å; I654-L790 HydrophobicContact CD1-CD1 4.22Å; I654-L790 HydrophobicContact CG1-CD1 4.15Å; F664-L790 HydrophobicContact CD2-CD2 4.07Å; F664-L790 HydrophobicContact CE2-CD2 4.16Å; F667-L790 HydrophobicContact CD1-CD2 3.91Å; F667-L790 HydrophobicContact CE1-CD2 3.71Å; F667-L790 HydrophobicContact CZ-CD2 4.15Å; F786-L790 HydrophobicContact CE1-CB 4.41Å; F786-L790 HydrophobicContact CE1-CD2 3.99Å; F786-L790 HydrophobicContact CZ-CB 4.49Å; F786-L790 HydrophobicContact CZ-CD1 4.38Å; F786-L790 HydrophobicContact CZ-CD2 4.34Å; F786-L790 VanDerWaalsContact O-CB 3.29Å; F786-L790 WeakPolarHBondContact O-CB 3.3Å; F786-L790 PolarHBondContact O-N 2.79Å; A788-L790 PolarHBondContact O-N 3.27Å; L790-L794 HydrophobicContact CD1-CD2 4.35Å; L790-L794 WeakPolarHBondContact O-CD2 3.36Å; L790-L794 WeakPolarHBondContact O-CG 3.34Å
791	K	90.8	Very high	95	Very high	42 Å²	42	34.3 Å²	34.3	18%	0.183	19%	0.185	C	C	.	.	H	α-helix	trans	-80.6	-10.2	177.7	-72.3	-172.2	-73.2	-166.7	0	114.3	L720 A721 A787 A788 A789 L820 F822	L720-K791 WeakPolarHBondContact O-CD 3.24Å; L720-K791 PolarHBondContact O-NZ 3.14Å; A721-K791 PolarHBondContact O-NZ 2.79Å; A787-K791 VanDerWaalsContact O-CE 3.28Å; A787-K791 WeakPolarHBondContact O-CE 3.36Å; A787-K791 WeakPolarHBondContact O-CG 3.04Å; A787-K791 PolarHBondContact O-N 2.87Å; A788-K791 PolarHBondContact O-N 2.94Å; A788-K791 VanDerWaalsContact O-N 3.16Å; A789-K791 PolarHBondContact O-N 2.7Å; K791-L820 HydrophobicContact CD-CD2 4.38Å; K791-F822 WeakPolarHBondContact O-CB 3.44Å
792	E	91.6	Very high	95	Very high	97 Å²	97	28.1 Å²	28.1	45%	0.453	16%	0.156	S	C	.	.	H	α-helix	trans	-78.1	-37.1	176.1	-73	-160	-151.6	0	0	113	A788 A789 R823	A788-E792 PolarHBondContact O-N 2.87Å; A789-E792 PolarHBondContact O-N 2.97Å; E792-R823 WeakPolarHBondContact O-CB 3.44Å; E792-R823 PolarHBondContact O-N 2.92Å; E792-R823 IonicContact OE2-CZ 3.91Å; E792-R823 IonicContact OE2-NH1 3.29Å; E792-R823 PolarHBondContact OE2-NH1 3.28Å; E792-R823 IonicContact OE2-NH2 3.2Å; E792-R823 PolarHBondContact OE2-NH2 3.18Å
793	E	91.9	Very high	95	Very high	69 Å²	69	24.6 Å²	24.6	32%	0.322	14%	0.139	S	C	.	.	B	Isolated β-bridge	trans	-132.2	105.3	-174.9	-64	-170.8	-177.3	0	0	111.7	S651 R823 P826	S651-E793 PolarHBondContact OG-O 2.97Å; E793-R823 WeakPolarHBondContact CA-O 3.48Å; E793-P826 WeakPolarHBondContact OE2-CD 3.41Å
794	L	93.1	Very high	95	Very high	7 Å²	7	24.7 Å²	24.7	4%	0.037	14%	0.14	C	C	.	.			trans	-139.1	152.1	-178.1	-65.3	173.4	0	0	0	111.3	L649 I650 L790 F822 R823 P825	L649-L794 HydrophobicContact CB-CD2 4.5Å; I650-L794 WeakPolarHBondContact O-CA 3.49Å; L790-L794 HydrophobicContact CD1-CD2 4.35Å; L790-L794 WeakPolarHBondContact O-CD2 3.36Å; L790-L794 WeakPolarHBondContact O-CG 3.34Å; L794-F822 HydrophobicContact CB-CB 4.07Å; L794-F822 HydrophobicContact CB-CD1 4.2Å; L794-F822 HydrophobicContact CB-CD2 3.61Å; L794-F822 HydrophobicContact CB-CE2 3.97Å; L794-F822 HydrophobicContact CB-CG 3.72Å; L794-F822 HydrophobicContact CB-CZ 4.47Å; L794-F822 HydrophobicContact CD1-CB 4.27Å; L794-F822 HydrophobicContact CD1-CD1 4.02Å; L794-F822 HydrophobicContact CD1-CG 4.17Å; L794-F822 HydrophobicContact CG-CB 4.32Å; L794-F822 HydrophobicContact CG-CG 4.35Å; L794-F822 WeakPolarHBondContact O-CD2 3.29Å; L794-F822 WeakPolarHBondContact O-CE2 3.28Å; L794-R823 PolarHBondContact N-O 3.14Å; L794-R823 VanDerWaalsContact O-O 3.13Å; L794-P825 WeakPolarHBondContact O-CD 3.06Å
795	Y	93.7	Very high	94.9	Very high	57 Å²	57	22.4 Å²	22.4	22%	0.224	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	124	162.5	-175.7	-97.5	0	0	0	109.4	Q627 G628 I650 E797	Q627-Y795 WeakPolarHBondContact O-CA 3.24Å; G628-Y795 VanDerWaalsContact CA-CE2 3.48Å; I650-Y795 HydrophobicContact CD1-CD1 4.23Å; I650-Y795 PolarHBondContact N-O 2.85Å; I650-Y795 PolarHBondContact O-N 3.45Å; Y795-E797 HydrophobicContact CD1-CB 4.34Å; Y795-E797 HydrophobicContact CE1-CB 3.97Å
796	A	94.4	Very high	94.9	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	108.2	-176.8	0	0	0	0	0	111.1	Q627 G628 A629 L649 L813 F822	Q627-A796 PolarHBondContact O-N 2.93Å; G628-A796 CarbonylContact C-O 3.54Å; G628-A796 WeakPolarHBondContact CA-O 3.47Å; A629-A796 PolarHBondContact N-O 2.95Å; L649-A796 HydrophobicContact CD2-CB 3.58Å; A796-L813 HydrophobicContact CB-CD1 3.78Å; A796-F822 HydrophobicContact CB-CZ 3.86Å
797	E	94.2	Very high	94.9	Very high	3 Å²	3	22.4 Å²	22.4	1%	0.014	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	128.8	175	-175.2	150.9	-150.8	0	0	110.6	A629 W631 F647 H648 Y795 V982 Q985 Y987	A629-E797 WeakPolarHBondContact O-CA 3.22Å; W631-E797 PolarHBondContact NE1-OE1 2.88Å; F647-E797 CarbonylContact C-O 3.55Å; F647-E797 WeakPolarHBondContact CA-O 3.12Å; H648-E797 PolarHBondContact N-O 3.04Å; H648-E797 PolarHBondContact O-N 3Å; Y795-E797 HydrophobicContact CD1-CB 4.34Å; Y795-E797 HydrophobicContact CE1-CB 3.97Å; E797-V982 HydrophobicContact CG-CG1 3.72Å; E797-Q985 PolarHBondContact OE2-NE2 2.87Å; E797-Y987 WeakPolarHBondContact OE1-CE1 3.18Å; E797-Y987 PolarHBondContact OE1-OH 2.97Å; E797-Y987 VanDerWaalsContact OE1-OH 3.04Å; E797-Y987 PolarHBondContact OE2-OH 2.95Å
798	G	96.1	Very high	94.9	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	159.9	-174.1	0	0	0	0	0	115.6	A629 W631 R646	A629-G798 PolarHBondContact O-N 2.85Å; W631-G798 PolarHBondContact N-O 3.03Å; R646-G798 CarbonylContact O-C 3.58Å; R646-G798 WeakPolarHBondContact O-CA 3.21Å
799	L	98.1	Very high	95.1	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	128.3	172.5	175.4	62.9	0	0	0	109	P619 W631 R646 V975 N978 W979	P619-L799 HydrophobicContact CB-CD1 3.97Å; P619-L799 HydrophobicContact CG-CD1 4.12Å; W631-L799 HydrophobicContact CB-CD1 3.83Å; W631-L799 WeakPolarHBondContact O-CA 3.34Å; R646-L799 PolarHBondContact N-O 2.86Å; R646-L799 PolarHBondContact O-N 3Å; L799-V975 HydrophobicContact CD2-CG1 4.2Å; L799-N978 HydrophobicContact CD2-CB 3.84Å; L799-W979 HydrophobicContact CB-CE3 3.71Å; L799-W979 HydrophobicContact CB-CZ3 3.99Å; L799-W979 HydrophobicContact CD2-CB 4.15Å; L799-W979 HydrophobicContact CD2-CE3 4.31Å
800	V	98.1	Very high	95.2	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	119.7	170.2	-179.7	0	0	0	0	108.8	L630 W631 Y632 K633 I645 F804 S809 F812	L630-V800 HydrophobicContact CD1-CG2 4.04Å; W631-V800 PolarHBondContact O-N 3.21Å; Y632-V800 VanDerWaalsContact CA-O 3.31Å; Y632-V800 WeakPolarHBondContact CA-O 3.43Å; Y632-V800 HydrophobicContact CD2-CB 4.46Å; Y632-V800 WeakPolarHBondContact CD2-O 3.34Å; K633-V800 PolarHBondContact N-O 2.92Å; K633-V800 VanDerWaalsContact N-O 3.08Å; I645-V800 HydrophobicContact CG1-CG1 4.46Å; I645-V800 HydrophobicContact CG2-CG2 4.34Å; V800-F804 HydrophobicContact CG1-CB 4.15Å; V800-F804 HydrophobicContact CG1-CD2 3.86Å; V800-F804 HydrophobicContact CG1-CG 4.32Å; V800-S809 VanDerWaalsContact CG1-OG 3.31Å; V800-S809 WeakPolarHBondContact CG1-OG 3.33Å; V800-F812 HydrophobicContact CG1-CE2 4.19Å; V800-F812 HydrophobicContact CG2-CD2 3.79Å; V800-F812 HydrophobicContact CG2-CE2 4.28Å
801	Q	97.5	Very high	95.4	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.005	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	137.1	-176.9	176.4	174	-22.2	0	0	110.9	K633 Y644 L971 E974 V975 N978	K633-Q801 HydrophobicContact CB-CB 4.34Å; K633-Q801 HydrophobicContact CB-CG 4.01Å; K633-Q801 HydrophobicContact CG-CG 4.28Å; K633-Q801 VanDerWaalsContact O-CA 3.25Å; K633-Q801 WeakPolarHBondContact O-CA 3.28Å; Y644-Q801 PolarHBondContact N-O 2.94Å; Y644-Q801 PolarHBondContact O-N 3.03Å; Q801-L971 HydrophobicContact CG-CD1 4.3Å; Q801-E974 PolarHBondContact NE2-O 3.02Å; Q801-E974 PolarHBondContact NE2-OE2 2.92Å; Q801-V975 HydrophobicContact CB-CG2 3.97Å; Q801-V975 HydrophobicContact CG-CG2 3.71Å; Q801-N978 PolarHBondContact NE2-ND2 3.35Å; Q801-N978 PolarHBondContact OE1-ND2 3.18Å
802	G	95.9	Very high	95.7	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	121.9	-147	-175.9	0	0	0	0	0	114.7	K633 D635 F804	K633-G802 PolarHBondContact O-N 3.11Å; D635-G802 PolarHBondContact N-O 3.39Å; G802-F804 VanDerWaalsContact C-N 3.25Å; G802-F804 PolarHBondContact O-N 3.02Å
803	N	96.3	Very high	95.9	Very high	2 Å²	2	21.5 Å²	21.5	1%	0.011	11%	0.112	C	C	.	.	S	Bend	trans	-81.3	48.6	-174.2	-164	32	0	0	0	115.7	N607 K609 K634 K642 N706	N607-N803 PolarHBondContact O-ND2 3.28Å; K609-N803 PolarHBondContact N-OD1 3.3Å; K634-N803 PolarHBondContact NZ-OD1 3.14Å; K642-N803 WeakPolarHBondContact O-CB 3.48Å; K642-N803 PolarHBondContact O-N 2.85Å; N706-N803 HydrophobicContact CB-CB 4.07Å; N706-N803 PolarHBondContact ND2-O 3.48Å; N706-N803 WeakPolarHBondContact OD1-CB 3.23Å; N706-N803 PolarHBondContact OD1-ND2 2.87Å
804	F	96.6	Very high	96	Very high	1 Å²	1	22.3 Å²	22.3	0%	0.004	12%	0.116	C	C	.	.			trans	-115.9	164.4	168.9	-76.4	-66.7	0	0	0	112.1	Y632 A643 I645 N706 L709 P710 V800 G802 E808 F812	Y632-F804 PolarHBondContact OH-O 3.05Å; A643-F804 HydrophobicContact CB-CD2 3.47Å; A643-F804 VanDerWaalsContact CB-CD2 3.47Å; A643-F804 HydrophobicContact CB-CE2 3.42Å; A643-F804 VanDerWaalsContact CB-CE2 3.42Å; I645-F804 HydrophobicContact CD1-CE2 3.91Å; I645-F804 HydrophobicContact CD1-CZ 4.31Å; I645-F804 HydrophobicContact CG1-CE2 4.14Å; N706-F804 HydrophobicContact CB-CE1 4.46Å; N706-F804 HydrophobicContact CB-CE2 4.27Å; N706-F804 HydrophobicContact CB-CZ 4.1Å; N706-F804 WeakPolarHBondContact O-CE1 3.36Å; N706-F804 WeakPolarHBondContact O-CZ 3.25Å; L709-F804 HydrophobicContact CB-CZ 4.19Å; L709-F804 HydrophobicContact CD1-CE2 4.23Å; P710-F804 HydrophobicContact CG-CE1 3.79Å; P710-F804 HydrophobicContact CG-CZ 3.92Å; V800-F804 HydrophobicContact CG1-CB 4.15Å; V800-F804 HydrophobicContact CG1-CD2 3.86Å; V800-F804 HydrophobicContact CG1-CG 4.32Å; G802-F804 VanDerWaalsContact C-N 3.25Å; G802-F804 PolarHBondContact O-N 3.02Å; F804-E808 HydrophobicContact CD1-CB 4.2Å; F804-F812 HydrophobicContact CD1-CE2 4.47Å; F804-F812 HydrophobicContact CD1-CZ 4.1Å; F804-F812 HydrophobicContact CD2-CE2 4.25Å; F804-F812 HydrophobicContact CE1-CE2 4.44Å; F804-F812 AromaticContact CE1-CZ 3.8Å; F804-F812 HydrophobicContact CE1-CZ 3.8Å; F804-F812 HydrophobicContact CE2-CE2 4.18Å; F804-F812 HydrophobicContact CE2-CZ 4.22Å; F804-F812 HydrophobicContact CG-CE2 4.41Å; F804-F812 HydrophobicContact CG-CZ 4.48Å; F804-F812 HydrophobicContact CZ-CE2 4.29Å; F804-F812 AromaticContact CZ-CZ 3.87Å; F804-F812 HydrophobicContact CZ-CZ 3.87Å
805	T	96.3	Very high	96.2	Very high	23 Å²	23	24.9 Å²	24.9	14%	0.141	13%	0.125	C	C	.	.			trans	-92.2	162.1	164.5	65.1	0	0	0	0	111.1	K609 D612 A807 E808 S809	K609-T805 HydrophobicContact CB-CG2 4.33Å; K609-T805 HydrophobicContact CD-CG2 4.35Å; D612-T805 WeakPolarHBondContact OD1-CB 3.47Å; T805-A807 VanDerWaalsContact C-N 3.3Å; T805-A807 PolarHBondContact O-N 3.16Å; T805-E808 PolarHBondContact N-OE2 2.97Å; T805-E808 VanDerWaalsContact N-OE2 3.09Å; T805-E808 PolarHBondContact O-N 2.97Å; T805-E808 WeakPolarHBondContact OG1-CB 3.36Å; T805-E808 WeakPolarHBondContact OG1-CG 3.39Å; T805-E808 PolarHBondContact OG1-N 2.86Å; T805-E808 PolarHBondContact OG1-OE2 3.45Å; T805-S809 WeakPolarHBondContact O-CB 3.31Å; T805-S809 PolarHBondContact O-N 3.31Å; T805-S809 PolarHBondContact O-OG 2.86Å
806	S	96.1	Very high	96.2	Very high	18 Å²	18	22.1 Å²	22.1	13%	0.126	11%	0.114	C	C	.	.	H	α-helix	trans	-63.5	-37.4	175.6	78.7	0	0	0	0	111.7	D612 I622 S809 I810	D612-S806 PolarHBondContact OD1-N 3.26Å; D612-S806 PolarHBondContact OD1-OG 3.26Å; D612-S806 PolarHBondContact OD2-N 3.04Å; D612-S806 PolarHBondContact OD2-OG 3.44Å; I622-S806 WeakPolarHBondContact CD1-O 3.37Å; S806-S809 WeakPolarHBondContact O-CB 3.32Å; S806-S809 PolarHBondContact O-N 2.91Å; S806-I810 WeakPolarHBondContact O-CG1 3.5Å; S806-I810 PolarHBondContact O-N 3.34Å
807	A	96.1	Very high	96.1	Very high	51 Å²	51	23.2 Å²	23.2	42%	0.421	12%	0.121	S	C	.	.	H	α-helix	trans	-62.1	-47.7	175.1	0	0	0	0	0	112.7	D612 T805 S809 I810 E811	D612-A807 PolarHBondContact OD2-N 3.3Å; T805-A807 VanDerWaalsContact C-N 3.3Å; T805-A807 PolarHBondContact O-N 3.16Å; A807-S809 VanDerWaalsContact C-N 3.28Å; A807-S809 PolarHBondContact O-N 2.71Å; A807-I810 PolarHBondContact O-N 3.39Å; A807-E811 PolarHBondContact O-N 2.92Å
808	E	95.8	Very high	96.1	Very high	56 Å²	56	28.5 Å²	28.5	26%	0.262	15%	0.149	S	C	.	.	H	α-helix	trans	-63.1	-36.4	176.3	-70.9	169.5	148.9	0	0	111.8	K609 F804 T805 I810 E811	K609-E808 WeakPolarHBondContact CD-OE2 3.46Å; K609-E808 IonicContact NZ-OE1 3.16Å; K609-E808 PolarHBondContact NZ-OE1 3.44Å; K609-E808 IonicContact NZ-OE2 3.94Å; K609-E808 PolarHBondContact NZ-OE2 3.4Å; F804-E808 HydrophobicContact CD1-CB 4.2Å; T805-E808 PolarHBondContact N-OE2 2.97Å; T805-E808 VanDerWaalsContact N-OE2 3.09Å; T805-E808 PolarHBondContact O-N 2.97Å; T805-E808 WeakPolarHBondContact OG1-CB 3.36Å; T805-E808 WeakPolarHBondContact OG1-CG 3.39Å; T805-E808 PolarHBondContact OG1-N 2.86Å; T805-E808 PolarHBondContact OG1-OE2 3.45Å; E808-I810 VanDerWaalsContact C-N 3.35Å; E808-I810 PolarHBondContact O-N 2.75Å; E808-E811 WeakPolarHBondContact O-CB 3.47Å; E808-E811 PolarHBondContact O-N 2.89Å
809	S	96.9	Very high	96	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-64.7	-39.8	178.1	-54.5	0	0	0	0	111.5	L630 Y632 V800 T805 S806 A807 E811 F812	L630-S809 VanDerWaalsContact CD2-C 3.43Å; L630-S809 WeakPolarHBondContact CD2-O 3.48Å; Y632-S809 WeakPolarHBondContact CD2-OG 3.29Å; Y632-S809 WeakPolarHBondContact CE2-OG 3.35Å; V800-S809 VanDerWaalsContact CG1-OG 3.31Å; V800-S809 WeakPolarHBondContact CG1-OG 3.33Å; T805-S809 WeakPolarHBondContact O-CB 3.31Å; T805-S809 PolarHBondContact O-N 3.31Å; T805-S809 PolarHBondContact O-OG 2.86Å; S806-S809 WeakPolarHBondContact O-CB 3.32Å; S806-S809 PolarHBondContact O-N 2.91Å; A807-S809 VanDerWaalsContact C-N 3.28Å; A807-S809 PolarHBondContact O-N 2.71Å; S809-E811 VanDerWaalsContact C-N 3.3Å; S809-E811 PolarHBondContact O-N 3.06Å; S809-F812 WeakPolarHBondContact O-CB 3.42Å; S809-F812 PolarHBondContact O-N 3.2Å; S809-F812 VanDerWaalsContact O-N 3.15Å
810	I	96.9	Very high	95.8	Very high	42 Å²	42	32.9 Å²	32.9	22%	0.215	17%	0.169	C	C	.	.	H	α-helix	trans	-60.3	-38.4	176.1	-77.5	163.8	0	0	0	111.9	I622 L623 L630 S806 A807 E808 F812 L813 Q814	I622-I810 HydrophobicContact CD1-CD1 4.28Å; I622-I810 HydrophobicContact CD1-CG1 3.89Å; I622-I810 HydrophobicContact CG1-CG1 4.39Å; L623-I810 HydrophobicContact CB-CG1 4.39Å; L623-I810 HydrophobicContact CD2-CG1 4.42Å; L623-I810 HydrophobicContact CD2-CG2 4.16Å; L630-I810 HydrophobicContact CD2-CG1 4.43Å; S806-I810 WeakPolarHBondContact O-CG1 3.5Å; S806-I810 PolarHBondContact O-N 3.34Å; A807-I810 PolarHBondContact O-N 3.39Å; E808-I810 VanDerWaalsContact C-N 3.35Å; E808-I810 PolarHBondContact O-N 2.75Å; I810-F812 PolarHBondContact O-N 3.14Å; I810-L813 PolarHBondContact O-N 3.46Å; I810-Q814 HydrophobicContact CG2-CG 4.19Å; I810-Q814 WeakPolarHBondContact O-CG 3.32Å; I810-Q814 PolarHBondContact O-N 2.99Å; I810-Q814 VanDerWaalsContact O-N 3.1Å
811	E	96.6	Very high	95.5	Very high	113 Å²	113	40.3 Å²	40.3	53%	0.528	20%	0.204	S	C	.	.	H	α-helix	trans	-59.6	-28.2	177.6	-64.5	-175.6	-171.1	0	0	112.3	A807 E808 S809 Y815	A807-E811 PolarHBondContact O-N 2.92Å; E808-E811 WeakPolarHBondContact O-CB 3.47Å; E808-E811 PolarHBondContact O-N 2.89Å; S809-E811 VanDerWaalsContact C-N 3.3Å; S809-E811 PolarHBondContact O-N 3.06Å; E811-Y815 WeakPolarHBondContact O-CB 3.28Å; E811-Y815 PolarHBondContact O-N 3.14Å
812	F	96.9	Very high	95.4	Very high	9 Å²	9	40.7 Å²	40.7	4%	0.039	21%	0.206	C	C	.	.	H	α-helix	trans	-67.6	-52.6	178.6	-58.7	-21.5	0	0	0	112	I645 F647 P710 L713 V800 F804 S809 I810 Q814 Y815 F816	I645-F812 HydrophobicContact CD1-CD2 3.98Å; I645-F812 HydrophobicContact CD1-CE2 3.47Å; I645-F812 VanDerWaalsContact CD1-CE2 3.47Å; I645-F812 HydrophobicContact CD1-CZ 3.91Å; I645-F812 HydrophobicContact CG1-CD2 4.33Å; I645-F812 HydrophobicContact CG1-CE2 3.98Å; I645-F812 HydrophobicContact CG2-CD2 4.33Å; F647-F812 HydrophobicContact CE2-CB 4.09Å; F647-F812 HydrophobicContact CZ-CB 3.96Å; P710-F812 HydrophobicContact CB-CE1 4.07Å; P710-F812 HydrophobicContact CG-CE1 4.17Å; P710-F812 HydrophobicContact CG-CZ 4.15Å; L713-F812 HydrophobicContact CD2-CB 3.6Å; L713-F812 HydrophobicContact CD2-CD1 3.6Å; L713-F812 HydrophobicContact CD2-CD2 4.2Å; L713-F812 HydrophobicContact CD2-CE1 4.35Å; L713-F812 HydrophobicContact CD2-CG 3.53Å; V800-F812 HydrophobicContact CG1-CE2 4.19Å; V800-F812 HydrophobicContact CG2-CD2 3.79Å; V800-F812 HydrophobicContact CG2-CE2 4.28Å; F804-F812 HydrophobicContact CD1-CE2 4.47Å; F804-F812 HydrophobicContact CD1-CZ 4.1Å; F804-F812 HydrophobicContact CD2-CE2 4.25Å; F804-F812 HydrophobicContact CE1-CE2 4.44Å; F804-F812 AromaticContact CE1-CZ 3.8Å; F804-F812 HydrophobicContact CE1-CZ 3.8Å; F804-F812 HydrophobicContact CE2-CE2 4.18Å; F804-F812 HydrophobicContact CE2-CZ 4.22Å; F804-F812 HydrophobicContact CG-CE2 4.41Å; F804-F812 HydrophobicContact CG-CZ 4.48Å; F804-F812 HydrophobicContact CZ-CE2 4.29Å; F804-F812 AromaticContact CZ-CZ 3.87Å; F804-F812 HydrophobicContact CZ-CZ 3.87Å; S809-F812 WeakPolarHBondContact O-CB 3.42Å; S809-F812 PolarHBondContact O-N 3.2Å; S809-F812 VanDerWaalsContact O-N 3.15Å; I810-F812 PolarHBondContact O-N 3.14Å; F812-Q814 VanDerWaalsContact C-N 3.3Å; F812-Q814 PolarHBondContact O-N 3.44Å; F812-Y815 WeakPolarHBondContact O-CB 3.2Å; F812-Y815 PolarHBondContact O-N 3.15Å; F812-Y815 VanDerWaalsContact O-N 3.14Å; F812-F816 VanDerWaalsContact O-CD2 3.31Å; F812-F816 WeakPolarHBondContact O-CD2 3.5Å; F812-F816 PolarHBondContact O-N 3.3Å
813	L	96	Very high	95.2	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-64.5	-37	177.1	178.6	56	0	0	0	111.3	L623 L630 F647 A796 I810 Y815 F816 T817	L623-L813 HydrophobicContact CD2-CD2 4.01Å; L623-L813 HydrophobicContact CD2-CG 4.45Å; L623-L813 HydrophobicContact CG-CD2 4.35Å; L630-L813 HydrophobicContact CB-CD2 3.92Å; L630-L813 HydrophobicContact CD2-CB 4.43Å; F647-L813 HydrophobicContact CE1-CB 4.15Å; F647-L813 HydrophobicContact CE1-CD1 4.15Å; F647-L813 HydrophobicContact CZ-CB 4.37Å; A796-L813 HydrophobicContact CB-CD1 3.78Å; I810-L813 PolarHBondContact O-N 3.46Å; L813-Y815 VanDerWaalsContact C-N 3.3Å; L813-Y815 PolarHBondContact O-N 3.01Å; L813-F816 PolarHBondContact O-N 2.98Å; L813-T817 PolarHBondContact O-N 3.02Å; L813-T817 VanDerWaalsContact O-N 3.11Å; L813-T817 PolarHBondContact O-OG1 2.71Å
814	Q	95.1	Very high	95	Very high	86 Å²	86	49 Å²	49	40%	0.402	24%	0.243	S	C	.	.	H	α-helix	trans	-60.7	-38.7	173.4	-72.6	176.6	-15.1	0	0	112.2	I810 F812 F816 T817 D818	I810-Q814 HydrophobicContact CG2-CG 4.19Å; I810-Q814 WeakPolarHBondContact O-CG 3.32Å; I810-Q814 PolarHBondContact O-N 2.99Å; I810-Q814 VanDerWaalsContact O-N 3.1Å; F812-Q814 VanDerWaalsContact C-N 3.3Å; F812-Q814 PolarHBondContact O-N 3.44Å; Q814-F816 PolarHBondContact O-N 3.07Å; Q814-T817 WeakPolarHBondContact CA-OG1 3.4Å; Q814-T817 PolarHBondContact O-N 3.07Å; Q814-T817 PolarHBondContact O-OG1 2.96Å; Q814-D818 VanDerWaalsContact O-CB 3.29Å; Q814-D818 WeakPolarHBondContact O-CB 3.29Å; Q814-D818 VanDerWaalsContact O-CG 3.3Å; Q814-D818 PolarHBondContact O-N 3.39Å
815	Y	95.9	Very high	94.5	Very high	60 Å²	60	49.9 Å²	49.9	24%	0.235	25%	0.249	C	C	.	.	H	α-helix	trans	-63.5	-41.6	177.3	-162.8	-106.1	0	0	0	112.3	K714 V717 D718 E811 F812 L813 K819	K714-Y815 HydrophobicContact CB-CE1 3.93Å; K714-Y815 HydrophobicContact CD-CE2 4.45Å; K714-Y815 HydrophobicContact CG-CD1 4.01Å; K714-Y815 HydrophobicContact CG-CE1 3.69Å; K714-Y815 HydrophobicContact CG-CE2 4.24Å; K714-Y815 HydrophobicContact CG-CG 4.4Å; V717-Y815 HydrophobicContact CB-CD1 3.83Å; V717-Y815 HydrophobicContact CB-CE1 3.82Å; V717-Y815 HydrophobicContact CG1-CD1 3.67Å; V717-Y815 HydrophobicContact CG1-CE1 3.81Å; V717-Y815 HydrophobicContact CG2-CD1 4.32Å; D718-Y815 PolarHBondContact OD1-OH 3.01Å; D718-Y815 PolarHBondContact OD2-OH 3.43Å; E811-Y815 WeakPolarHBondContact O-CB 3.28Å; E811-Y815 PolarHBondContact O-N 3.14Å; F812-Y815 WeakPolarHBondContact O-CB 3.2Å; F812-Y815 PolarHBondContact O-N 3.15Å; F812-Y815 VanDerWaalsContact O-N 3.14Å; L813-Y815 VanDerWaalsContact C-N 3.3Å; L813-Y815 PolarHBondContact O-N 3.01Å; Y815-K819 WeakPolarHBondContact O-CB 3.23Å; Y815-K819 PolarHBondContact O-N 3.4Å
816	F	94.5	Very high	93.8	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-58.4	-50.7	171.6	-79.1	-84.9	0	0	0	111.6	F647 L649 I700 L713 V717 F812 L813 Q814 L820	F647-F816 HydrophobicContact CB-CE2 4.39Å; F647-F816 HydrophobicContact CB-CZ 4.21Å; F647-F816 HydrophobicContact CD1-CD2 4.3Å; F647-F816 HydrophobicContact CD1-CE2 4.02Å; F647-F816 HydrophobicContact CD2-CD2 4.44Å; F647-F816 AromaticContact CD2-CE2 3.5Å; F647-F816 HydrophobicContact CD2-CE2 3.5Å; F647-F816 VanDerWaalsContact CD2-CE2 3.5Å; F647-F816 AromaticContact CD2-CZ 3.98Å; F647-F816 HydrophobicContact CD2-CZ 3.98Å; F647-F816 HydrophobicContact CE1-CD2 4.18Å; F647-F816 HydrophobicContact CE1-CE2 4.15Å; F647-F816 HydrophobicContact CE2-CD2 4.31Å; F647-F816 AromaticContact CE2-CE2 3.63Å; F647-F816 HydrophobicContact CE2-CE2 3.63Å; F647-F816 HydrophobicContact CG-CD2 4.43Å; F647-F816 AromaticContact CG-CE2 3.71Å; F647-F816 HydrophobicContact CG-CE2 3.71Å; F647-F816 HydrophobicContact CG-CZ 4.02Å; F647-F816 HydrophobicContact CZ-CD2 4.19Å; F647-F816 AromaticContact CZ-CE2 3.96Å; F647-F816 HydrophobicContact CZ-CE2 3.96Å; L649-F816 HydrophobicContact CD1-CD1 4.27Å; L649-F816 HydrophobicContact CD1-CE1 4.04Å; L649-F816 HydrophobicContact CD2-CD1 4.15Å; L649-F816 HydrophobicContact CD2-CE1 4.18Å; I700-F816 HydrophobicContact CD1-CE1 3.75Å; I700-F816 HydrophobicContact CD1-CZ 3.79Å; L713-F816 HydrophobicContact CD1-CE2 3.96Å; L713-F816 HydrophobicContact CD1-CZ 4.02Å; V717-F816 HydrophobicContact CG1-CD1 4.31Å; V717-F816 HydrophobicContact CG2-CD1 3.78Å; V717-F816 HydrophobicContact CG2-CD2 4.28Å; V717-F816 HydrophobicContact CG2-CE1 3.39Å; V717-F816 HydrophobicContact CG2-CE2 3.92Å; V717-F816 HydrophobicContact CG2-CG 4.21Å; V717-F816 HydrophobicContact CG2-CZ 3.45Å; V717-F816 VanDerWaalsContact CG2-CZ 3.45Å; F812-F816 VanDerWaalsContact O-CD2 3.31Å; F812-F816 WeakPolarHBondContact O-CD2 3.5Å; F812-F816 PolarHBondContact O-N 3.3Å; L813-F816 PolarHBondContact O-N 2.98Å; Q814-F816 PolarHBondContact O-N 3.07Å; F816-L820 HydrophobicContact CD1-CD1 3.97Å; F816-L820 VanDerWaalsContact O-CB 3.26Å; F816-L820 WeakPolarHBondContact O-CB 3.39Å; F816-L820 WeakPolarHBondContact O-CG 3.4Å; F816-L820 PolarHBondContact O-N 3.46Å
817	T	92.7	Very high	92.9	Very high	23 Å²	23	56.9 Å²	56.9	14%	0.141	30%	0.3	C	S	.	.	H	α-helix	trans	-66.5	-40.8	-176.7	54.9	0	0	0	0	112.7	L625 Q627 L813 Q814 Q821 F822	L625-T817 HydrophobicContact CD1-CG2 4.41Å; Q627-T817 HydrophobicContact CB-CG2 4.04Å; L813-T817 PolarHBondContact O-N 3.02Å; L813-T817 VanDerWaalsContact O-N 3.11Å; L813-T817 PolarHBondContact O-OG1 2.71Å; Q814-T817 WeakPolarHBondContact CA-OG1 3.4Å; Q814-T817 PolarHBondContact O-N 3.07Å; Q814-T817 PolarHBondContact O-OG1 2.96Å; T817-Q821 WeakPolarHBondContact O-CA 3.5Å; T817-Q821 PolarHBondContact O-N 3.43Å; T817-F822 HydrophobicContact CG2-CE1 4.5Å; T817-F822 HydrophobicContact CG2-CZ 4.1Å
818	D	93.5	Very high	92.1	Very high	113 Å²	113	61.8 Å²	61.8	60%	0.604	31%	0.314	S	S	*	.	H	α-helix	trans	-74.7	-37.4	-175.7	-73.6	-0.7	0	0	0	112.6	Q814 Q821	Q814-D818 VanDerWaalsContact O-CB 3.29Å; Q814-D818 WeakPolarHBondContact O-CB 3.29Å; Q814-D818 VanDerWaalsContact O-CG 3.3Å; Q814-D818 PolarHBondContact O-N 3.39Å; D818-Q821 VanDerWaalsContact O-CG 3.29Å; D818-Q821 WeakPolarHBondContact O-CG 3.3Å; D818-Q821 PolarHBondContact O-NE2 3.39Å; D818-Q821 VanDerWaalsContact O-NE2 3.14Å
819	K	95.3	Very high	90.9	Very high	71 Å²	71	60.4 Å²	60.4	31%	0.309	31%	0.309	S	S	.	.	H	α-helix	trans	-80.2	-42.7	-179.3	-176.6	79.7	-169.3	-151.1	0	112.2	V717 D718 A721 D722 Y815	V717-K819 HydrophobicContact CG1-CB 4.11Å; V717-K819 HydrophobicContact CG1-CG 4.13Å; D718-K819 WeakPolarHBondContact OD1-CD 3.47Å; D718-K819 WeakPolarHBondContact OD1-CE 3.27Å; D718-K819 IonicContact OD1-NZ 3.43Å; D718-K819 PolarHBondContact OD1-NZ 3.07Å; A721-K819 HydrophobicContact CB-CD 4.23Å; A721-K819 HydrophobicContact CB-CG 3.7Å; D722-K819 IonicContact OD2-NZ 2.72Å; D722-K819 PolarHBondContact OD2-NZ 2.94Å; Y815-K819 WeakPolarHBondContact O-CB 3.23Å; Y815-K819 PolarHBondContact O-N 3.4Å
820	L	92.8	Very high	90	Very high	21 Å²	21	62.2 Å²	62.2	11%	0.11	32%	0.321	C	S	.	.	H	α-helix	trans	-89.3	-28.6	-175.5	-61.2	173.8	0	0	0	113.8	L720 A721 K791 F816 F822	L720-L820 HydrophobicContact CD2-CD1 3.85Å; L720-L820 HydrophobicContact CD2-CD2 4.2Å; L720-L820 HydrophobicContact CG-CD2 4.07Å; A721-L820 HydrophobicContact CB-CD2 3.74Å; K791-L820 HydrophobicContact CD-CD2 4.38Å; F816-L820 HydrophobicContact CD1-CD1 3.97Å; F816-L820 VanDerWaalsContact O-CB 3.26Å; F816-L820 WeakPolarHBondContact O-CB 3.39Å; F816-L820 WeakPolarHBondContact O-CG 3.4Å; F816-L820 PolarHBondContact O-N 3.46Å; L820-F822 HydrophobicContact CB-CD1 3.69Å; L820-F822 HydrophobicContact CB-CE1 4.26Å; L820-F822 HydrophobicContact CD1-CD1 4.18Å; L820-F822 HydrophobicContact CD1-CE1 4.21Å; L820-F822 PolarHBondContact O-N 3.38Å
821	Q	92.8	Very high	89.2	Confident	156 Å²	156	61.2 Å²	61.2	73%	0.729	32%	0.317	S	S	*	.			trans	56.2	30.3	175.4	-53	-171.7	-4.9	0	0	115.2	T817 D818	T817-Q821 WeakPolarHBondContact O-CA 3.5Å; T817-Q821 PolarHBondContact O-N 3.43Å; D818-Q821 VanDerWaalsContact O-CG 3.29Å; D818-Q821 WeakPolarHBondContact O-CG 3.3Å; D818-Q821 PolarHBondContact O-NE2 3.39Å; D818-Q821 VanDerWaalsContact O-NE2 3.14Å
822	F	93.5	Very high	88.5	Confident	9 Å²	9	56.9 Å²	56.9	4%	0.039	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-70.4	159.3	178.8	60.7	-98.9	0	0	0	113	Q627 K791 L794 A796 T817 L820	Q627-F822 HydrophobicContact CB-CD2 4.39Å; Q627-F822 HydrophobicContact CB-CE2 3.66Å; Q627-F822 HydrophobicContact CB-CZ 4.25Å; Q627-F822 HydrophobicContact CG-CD2 4.41Å; Q627-F822 HydrophobicContact CG-CE2 4.14Å; Q627-F822 WeakPolarHBondContact O-CE2 3.44Å; K791-F822 WeakPolarHBondContact O-CB 3.44Å; L794-F822 HydrophobicContact CB-CB 4.07Å; L794-F822 HydrophobicContact CB-CD1 4.2Å; L794-F822 HydrophobicContact CB-CD2 3.61Å; L794-F822 HydrophobicContact CB-CE2 3.97Å; L794-F822 HydrophobicContact CB-CG 3.72Å; L794-F822 HydrophobicContact CB-CZ 4.47Å; L794-F822 HydrophobicContact CD1-CB 4.27Å; L794-F822 HydrophobicContact CD1-CD1 4.02Å; L794-F822 HydrophobicContact CD1-CG 4.17Å; L794-F822 HydrophobicContact CG-CB 4.32Å; L794-F822 HydrophobicContact CG-CG 4.35Å; L794-F822 WeakPolarHBondContact O-CD2 3.29Å; L794-F822 WeakPolarHBondContact O-CE2 3.28Å; A796-F822 HydrophobicContact CB-CZ 3.86Å; T817-F822 HydrophobicContact CG2-CE1 4.5Å; T817-F822 HydrophobicContact CG2-CZ 4.1Å; L820-F822 HydrophobicContact CB-CD1 3.69Å; L820-F822 HydrophobicContact CB-CE1 4.26Å; L820-F822 HydrophobicContact CD1-CD1 4.18Å; L820-F822 HydrophobicContact CD1-CE1 4.21Å; L820-F822 PolarHBondContact O-N 3.38Å
823	R	93.3	Very high	88.1	Confident	133 Å²	133	57.1 Å²	57.1	50%	0.502	30%	0.298	S	S	.	.	B	Isolated β-bridge	trans	-97.7	152.3	173.6	-54.1	-178.4	-145.1	122.6	16.1	109.9	E792 E793 L794	E792-R823 WeakPolarHBondContact O-CB 3.44Å; E792-R823 PolarHBondContact O-N 2.92Å; E792-R823 IonicContact OE2-CZ 3.91Å; E792-R823 IonicContact OE2-NH1 3.29Å; E792-R823 PolarHBondContact OE2-NH1 3.28Å; E792-R823 IonicContact OE2-NH2 3.2Å; E792-R823 PolarHBondContact OE2-NH2 3.18Å; E793-R823 WeakPolarHBondContact CA-O 3.48Å; L794-R823 PolarHBondContact N-O 3.14Å; L794-R823 VanDerWaalsContact O-O 3.13Å
824	P	91.2	Very high	87.9	Confident	44 Å²	44	60.7 Å²	60.7	29%	0.286	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-67.1	146.2	170.6	30.5	-35.6	0	0	0	110.8	E626	E626-P824 HydrophobicContact CB-CG 4.25Å; E626-P824 WeakPolarHBondContact O-CB 3.17Å
825	P	87.1	Confident	87.9	Confident	20 Å²	20	56.7 Å²	56.7	13%	0.13	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-59.1	149	173.8	-24.2	35.3	0	0	0	111.9	L794 A827 V829	L794-P825 WeakPolarHBondContact O-CD 3.06Å; P825-A827 PolarHBondContact O-N 2.69Å; P825-A827 VanDerWaalsContact O-N 3.14Å; P825-V829 HydrophobicContact CB-CG2 3.9Å; P825-V829 HydrophobicContact CG-CG2 4.3Å
826	P	80.6	Confident	87.9	Confident	117 Å²	117	53.8 Å²	53.8	76%	0.76	28%	0.281	S	S	*	.	S	Bend	trans	-69.7	-12.3	-173.1	27.2	-36.2	0	0	0	114.8	E793	E793-P826 WeakPolarHBondContact OE2-CD 3.41Å
827	A	78.1	Confident	87.9	Confident	70 Å²	70	56 Å²	56	58%	0.579	29%	0.293	S	S	*	.	S	Bend	trans	-144.4	157.8	173.2	0	0	0	0	0	109.5	P825 V829	P825-A827 PolarHBondContact O-N 2.69Å; P825-A827 VanDerWaalsContact O-N 3.14Å; A827-V829 PolarHBondContact O-N 2.74Å; A827-V829 VanDerWaalsContact O-N 3.11Å
828	E	78.1	Confident	88	Confident	155 Å²	155	55 Å²	55	72%	0.724	29%	0.287	S	S	*	.			trans	-60.7	113.7	171.5	-171.4	-177.4	159.1	0	0	109.4	K1088	E828-K1088 IonicContact OE1-NZ 3.14Å; E828-K1088 PolarHBondContact OE1-NZ 2.95Å
829	V	72.3	Confident	88	Confident	27 Å²	27	51.3 Å²	51.3	16%	0.164	27%	0.269	C	S	.	.			trans	-83.8	128.2	-179.7	-175.7	0	0	0	0	108.4	I650 P652 P825 A827	I650-V829 HydrophobicContact CG2-CB 4.09Å; I650-V829 HydrophobicContact CG2-CG1 4.14Å; P652-V829 HydrophobicContact CB-CG1 4.24Å; P652-V829 HydrophobicContact CB-CG2 3.99Å; P652-V829 HydrophobicContact CG-CG2 4.12Å; P825-V829 HydrophobicContact CB-CG2 3.9Å; P825-V829 HydrophobicContact CG-CG2 4.3Å; A827-V829 PolarHBondContact O-N 2.74Å; A827-V829 VanDerWaalsContact O-N 3.11Å
830	P	77.9	Confident	87.8	Confident	38 Å²	38	55.1 Å²	55.1	25%	0.247	28%	0.281	C	S	.	.			trans	-68.7	138.7	175.6	29.7	-34.8	0	0	0	110.7	Q832 Y1086	P830-Q832 VanDerWaalsContact C-N 3.31Å; P830-Y1086 HydrophobicContact CB-CD1 3.46Å; P830-Y1086 VanDerWaalsContact CB-CD1 3.46Å; P830-Y1086 HydrophobicContact CB-CE1 3.36Å; P830-Y1086 HydrophobicContact CB-CG 4.09Å; P830-Y1086 HydrophobicContact CG-CD1 4.04Å; P830-Y1086 HydrophobicContact CG-CE1 3.39Å; P830-Y1086 HydrophobicContact CG-CE2 4.31Å
831	V	78.7	Confident	87.7	Confident	20 Å²	20	59.7 Å²	59.7	12%	0.121	30%	0.297	C	S	.	.	S	Bend	trans	-89.4	9.6	177.7	-63	0	0	0	0	113.8	I650 H696 Q985	I650-V831 HydrophobicContact CD1-CG1 3.6Å; I650-V831 HydrophobicContact CG1-CG1 4.41Å; H696-V831 PolarHBondContact CD2-O 2.63Å; V831-Q985 HydrophobicContact CG1-CG 4.1Å; V831-Q985 HydrophobicContact CG2-CB 4.15Å; V831-Q985 HydrophobicContact CG2-CG 3.92Å
832	Q	83.4	Confident	87.7	Confident	22 Å²	22	53.8 Å²	53.8	10%	0.103	27%	0.269	C	S	.	.	S	Bend	trans	-145.4	156.7	177.3	-69.7	-171.2	-34.3	0	0	110.1	P830 Y1086	P830-Q832 VanDerWaalsContact C-N 3.31Å; Q832-Y1086 WeakPolarHBondContact O-CD1 3.42Å; Q832-Y1086 VanDerWaalsContact O-CE1 3.27Å; Q832-Y1086 WeakPolarHBondContact O-CE1 3.41Å
833	F	88.1	Confident	87.8	Confident	15 Å²	15	53.4 Å²	53.4	7%	0.066	27%	0.268	C	S	.	.			trans	-71.2	174.1	173.1	-69	-75.4	0	0	0	112.1	Q655 E695 H696 E761 S909	Q655-F833 HydrophobicContact CG-CE1 4.46Å; E695-F833 HydrophobicContact CB-CE2 3.75Å; E695-F833 HydrophobicContact CB-CZ 4.03Å; E695-F833 HydrophobicContact CG-CE2 3.71Å; E695-F833 HydrophobicContact CG-CZ 4.25Å; H696-F833 AromaticContact CE1-CE1 3.94Å; E761-F833 HydrophobicContact CB-CB 4.07Å; E761-F833 HydrophobicContact CB-CD2 4.35Å; E761-F833 HydrophobicContact CB-CG 4.22Å; E761-F833 VanDerWaalsContact CD-CD2 3.5Å; E761-F833 HydrophobicContact CG-CB 4.34Å; E761-F833 WeakPolarHBondContact OE1-CD2 3.46Å; E761-F833 VanDerWaalsContact OE2-CD2 3.27Å; E761-F833 WeakPolarHBondContact OE2-CD2 3.4Å; F833-S909 PolarHBondContact N-OG 2.81Å
834	R	91.2	Very high	87.9	Confident	75 Å²	75	47.1 Å²	47.1	28%	0.283	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	135.1	162.8	-78	-178.7	-67.6	152.3	4.3	109.4	H762 L1083 H1084 Y1086	H762-R834 VanDerWaalsContact CB-O 3.3Å; H762-R834 WeakPolarHBondContact CB-O 3.46Å; H762-R834 PolarHBondContact N-O 3.19Å; R834-L1083 HydrophobicContact CB-CB 4.42Å; R834-L1083 HydrophobicContact CB-CD1 4.42Å; R834-H1084 WeakPolarHBondContact CD-O 3.43Å; R834-H1084 WeakPolarHBondContact CG-O 3.47Å; R834-Y1086 VanDerWaalsContact CD-CE2 3.49Å; R834-Y1086 HydrophobicContact CG-CD1 3.68Å; R834-Y1086 HydrophobicContact CG-CD2 4.03Å; R834-Y1086 HydrophobicContact CG-CE1 3.55Å; R834-Y1086 HydrophobicContact CG-CE2 3.88Å; R834-Y1086 HydrophobicContact CG-CG 3.91Å; R834-Y1086 PolarHBondContact NE-OH 2.99Å
835	V	94.8	Very high	88.2	Confident	1 Å²	1	45 Å²	45	1%	0.006	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	143.6	179.7	177.4	0	0	0	0	111	L760 T908 V911 H1084	L760-V835 HydrophobicContact CB-CG1 4.3Å; L760-V835 CarbonylContact O-C 3.57Å; L760-V835 VanDerWaalsContact O-CA 3.25Å; L760-V835 WeakPolarHBondContact O-CA 3.19Å; V835-T908 HydrophobicContact CG2-CG2 3.84Å; V835-T908 VanDerWaalsContact CG2-O 3.23Å; V835-T908 WeakPolarHBondContact CG2-O 3.46Å; V835-V911 HydrophobicContact CB-CB 4.03Å; V835-V911 HydrophobicContact CB-CG2 3.87Å; V835-V911 HydrophobicContact CG1-CB 4.07Å; V835-V911 HydrophobicContact CG1-CG1 4.1Å; V835-V911 HydrophobicContact CG1-CG2 4.32Å; V835-V911 HydrophobicContact CG2-CB 4.22Å; V835-V911 HydrophobicContact CG2-CG2 4.32Å; V835-H1084 PolarHBondContact O-N 3.32Å
836	V	95.4	Very high	88.6	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-67.8	139.2	173.5	-55.6	0	0	0	0	111	I759 L760 L838 Q864 T1078 L1081 L1083	I759-V836 WeakPolarHBondContact O-CG2 3.15Å; L760-V836 HydrophobicContact CD2-CG2 4.46Å; L760-V836 PolarHBondContact O-N 3.06Å; V836-L838 HydrophobicContact CG2-CD2 3.88Å; V836-L838 HydrophobicContact CG2-CG 4.26Å; V836-L838 PolarHBondContact O-N 3.5Å; V836-Q864 PolarHBondContact O-NE2 2.93Å; V836-Q864 PolarHBondContact O-OE1 2.89Å; V836-T1078 HydrophobicContact CG1-CG2 4.26Å; V836-L1081 HydrophobicContact CB-CB 4.18Å; V836-L1081 HydrophobicContact CB-CD1 3.93Å; V836-L1081 HydrophobicContact CG1-CB 4.44Å; V836-L1081 HydrophobicContact CG1-CD1 4.41Å; V836-L1081 HydrophobicContact CG2-CD1 3.96Å; V836-L1083 HydrophobicContact CB-CD2 4.37Å; V836-L1083 HydrophobicContact CG1-CD2 3.8Å
837	D	95.4	Very high	89.3	Confident	47 Å²	47	38.9 Å²	38.9	25%	0.251	19%	0.19	S	C	.	.			trans	-83.3	102.4	168	175.6	18.1	0	0	0	107.9	R1020 P1082	D837-R1020 IonicContact OD1-CZ 3.06Å; D837-R1020 IonicContact OD1-NE 3.1Å; D837-R1020 PolarHBondContact OD1-NE 3.4Å; D837-R1020 IonicContact OD1-NH2 3.19Å; D837-R1020 PolarHBondContact OD1-NH2 2.8Å; D837-R1020 IonicContact OD2-NH2 3.89Å; D837-P1082 HydrophobicContact CB-CG 4.13Å; D837-P1082 PolarHBondContact N-O 2.92Å
838	L	95.1	Very high	90	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.01	17%	0.166	C	C	.	.			trans	-64.8	138.8	-175.1	-72.7	176.1	0	0	0	110.7	L760 V836 Y862 Q864 R1020 L1022 F1077 L1081	L760-L838 HydrophobicContact CD2-CD1 3.94Å; L760-L838 HydrophobicContact CD2-CD2 4.49Å; L760-L838 HydrophobicContact CD2-CG 4.26Å; V836-L838 HydrophobicContact CG2-CD2 3.88Å; V836-L838 HydrophobicContact CG2-CG 4.26Å; V836-L838 PolarHBondContact O-N 3.5Å; L838-Y862 HydrophobicContact CD1-CE1 4.4Å; L838-Q864 HydrophobicContact CD1-CB 4.12Å; L838-R1020 HydrophobicContact CB-CB 4.03Å; L838-R1020 HydrophobicContact CB-CG 4.39Å; L838-R1020 WeakPolarHBondContact O-CD 3.36Å; L838-R1020 VanDerWaalsContact O-CG 3.31Å; L838-R1020 WeakPolarHBondContact O-CG 3.4Å; L838-R1020 PolarHBondContact O-NE 3.36Å; L838-L1022 HydrophobicContact CD1-CB 3.99Å; L838-F1077 HydrophobicContact CD2-CE1 4.13Å; L838-F1077 HydrophobicContact CD2-CZ 4.27Å; L838-L1081 HydrophobicContact CD2-CD1 4.36Å
839	P	92.9	Very high	90.6	Very high	35 Å²	35	29.3 Å²	29.3	23%	0.227	13%	0.133	C	C	.	.			trans	-61.6	148.9	173.9	-20.5	30.4	0	0	0	112.1	R841 H843 L1081	P839-R841 HydrophobicContact CB-CG 4.37Å; P839-R841 PolarHBondContact O-N 3.08Å; P839-H843 PolarHBondContact O-CE1 2.91Å; P839-L1081 HydrophobicContact CG-CD2 3.59Å
840	R	92.1	Very high	91.5	Very high	150 Å²	150	28.2 Å²	28.2	57%	0.566	13%	0.126	S	C	*	.	S	Bend	trans	-73.4	70.3	178.6	-66.5	-174.7	179.4	-157.3	-7	112.9	C1018 S1019 R1020	R840-C1018 WeakPolarHBondContact CB-O 3.32Å; R840-C1018 WeakPolarHBondContact CD-O 3.41Å; R840-C1018 VanDerWaalsContact CG-O 3.3Å; R840-C1018 WeakPolarHBondContact CG-O 3.48Å; R840-S1019 CarbonylContact C-O 3.53Å; R840-S1019 WeakPolarHBondContact CA-O 3.39Å; R840-R1020 HydrophobicContact CG-CG 4.36Å
841	R	90.6	Very high	91.8	Very high	118 Å²	118	27 Å²	27	45%	0.445	12%	0.118	S	C	.	.	S	Bend	trans	-164.4	163.1	175.1	63.2	-173	172.5	-175.6	-8.5	109	P839 H843 S1019 T1069	P839-R841 HydrophobicContact CB-CG 4.37Å; P839-R841 PolarHBondContact O-N 3.08Å; R841-H843 WeakPolarHBondContact CG-CE1 3.28Å; R841-H843 PolarHBondContact NE-NE2 2.92Å; R841-H843 PolarHBondContact NH2-NE2 2.86Å; R841-H843 PolarHBondContact O-CE1 2.95Å; R841-H843 PolarHBondContact O-N 2.97Å; R841-H843 PolarHBondContact O-ND1 3.18Å; R841-S1019 PolarHBondContact N-O 2.85Å; R841-S1019 VanDerWaalsContact N-O 3.12Å; R841-T1069 WeakPolarHBondContact CD-OG1 3.49Å; R841-T1069 PolarHBondContact NE-OG1 3.38Å
842	H	92.6	Very high	92	Very high	32 Å²	32	31 Å²	31	15%	0.148	13%	0.13	C	C	.	.			trans	-69.7	125.8	170.5	-176.1	-166.2	0	0	0	111.4	E931 K1021 S1023 A1068 T1069	H842-E931 IonicContact CE1-OE1 3.86Å; H842-E931 PolarHBondContact CE1-OE1 2.95Å; H842-E931 IonicContact NE2-OE1 2.76Å; H842-E931 PolarHBondContact NE2-OE1 3.2Å; H842-K1021 HydrophobicContact CB-CD 4.26Å; H842-K1021 PolarHBondContact CE1-NZ 2.72Å; H842-K1021 VanDerWaalsContact CE1-NZ 3.26Å; H842-K1021 WeakPolarHBondContact NE2-CE 2.94Å; H842-K1021 PolarHBondContact NE2-NZ 3.26Å; H842-S1023 PolarHBondContact NE2-OG 3.22Å; H842-A1068 HydrophobicContact CB-CB 4.28Å; H842-A1068 WeakPolarHBondContact ND1-CB 3.35Å; H842-A1068 WeakPolarHBondContact O-CA 3.3Å; H842-T1069 PolarHBondContact O-N 3.49Å
843	H	95.1	Very high	91.7	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	144.7	167.5	-53.7	81.6	0	0	0	109.8	P839 R841 K1021 L1022 S1023 T1069 I1071 F1077	P839-H843 PolarHBondContact O-CE1 2.91Å; R841-H843 WeakPolarHBondContact CG-CE1 3.28Å; R841-H843 PolarHBondContact NE-NE2 2.92Å; R841-H843 PolarHBondContact NH2-NE2 2.86Å; R841-H843 PolarHBondContact O-CE1 2.95Å; R841-H843 PolarHBondContact O-N 2.97Å; R841-H843 PolarHBondContact O-ND1 3.18Å; H843-K1021 PolarHBondContact N-O 2.64Å; H843-L1022 HydrophobicContact CB-CD1 4.25Å; H843-L1022 WeakPolarHBondContact O-CA 3.34Å; H843-S1023 PolarHBondContact O-N 2.73Å; H843-T1069 WeakPolarHBondContact CA-O 3.44Å; H843-I1071 HydrophobicContact CB-CD1 3.95Å; H843-I1071 HydrophobicContact CB-CG1 4.35Å; H843-F1077 AromaticContact CD2-CE2 3.42Å; H843-F1077 VanDerWaalsContact CD2-CE2 3.42Å; H843-F1077 WeakPolarHBondContact CD2-CE2 3.32Å; H843-F1077 AromaticContact CD2-CZ 3.43Å; H843-F1077 VanDerWaalsContact CD2-CZ 3.43Å; H843-F1077 WeakPolarHBondContact CD2-CZ 3.45Å; H843-F1077 AromaticContact CG-CZ 3.97Å; H843-F1077 AromaticContact NE2-CE2 3.67Å; H843-F1077 AromaticContact NE2-CZ 3.72Å
844	L	95.9	Very high	91.5	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	128.2	-174.6	174.1	62.7	0	0	0	109.9	R846 A1060 L1065 A1068 T1069 L1070 I1071	L844-R846 HydrophobicContact CD1-CG 3.73Å; L844-R846 HydrophobicContact CD2-CG 4.14Å; L844-R846 HydrophobicContact CG-CG 3.88Å; L844-A1060 HydrophobicContact CD2-CB 4.01Å; L844-L1065 HydrophobicContact CD2-CB 4.15Å; L844-L1065 HydrophobicContact CD2-CD1 4.39Å; L844-A1068 HydrophobicContact CB-CB 3.86Å; L844-A1068 HydrophobicContact CD2-CB 4.47Å; L844-T1069 PolarHBondContact N-O 3.48Å; L844-L1070 HydrophobicContact CD2-CD1 4.37Å; L844-L1070 HydrophobicContact CG-CD1 4.25Å; L844-L1070 CarbonylContact O-C 3.57Å; L844-L1070 WeakPolarHBondContact O-CA 3.36Å; L844-I1071 PolarHBondContact O-N 2.81Å
845	C	96.8	Very high	91.4	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	99	173.4	-174.9	0	0	0	0	109.1	I759 S1023 V1024 H1025 I1071	I759-C845 HydrophobicContact CD1-CB 3.79Å; C845-S1023 PolarHBondContact N-O 2.78Å; C845-V1024 WeakPolarHBondContact O-CA 3.14Å; C845-H1025 PolarHBondContact O-N 3.37Å; C845-I1071 HydrophobicContact CB-CB 4.24Å
846	R	95.2	Very high	91.2	Very high	9 Å²	9	30.1 Å²	30.1	3%	0.034	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	124	173.7	-57.6	-173	69.4	-147.1	-6.7	109.6	L844 S927 E928 H1025 E1033 F1057 L1058 P1059	L844-R846 HydrophobicContact CD1-CG 3.73Å; L844-R846 HydrophobicContact CD2-CG 4.14Å; L844-R846 HydrophobicContact CG-CG 3.88Å; R846-S927 PolarHBondContact NH2-OG 3.21Å; R846-E928 IonicContact CZ-OE1 3.46Å; R846-E928 IonicContact NE-OE1 3.56Å; R846-E928 IonicContact NH1-OE1 3.7Å; R846-E928 PolarHBondContact NH1-OE1 2.92Å; R846-H1025 HydrophobicContact CB-CB 4.43Å; R846-H1025 HydrophobicContact CG-CB 4.1Å; R846-E1033 IonicContact CZ-OE2 3.23Å; R846-E1033 VanDerWaalsContact NH2-CD 3.3Å; R846-E1033 IonicContact NH2-OE1 3.94Å; R846-E1033 PolarHBondContact NH2-OE1 3.39Å; R846-E1033 VanDerWaalsContact NH2-OE1 3.1Å; R846-E1033 IonicContact NH2-OE2 3.14Å; R846-E1033 PolarHBondContact NH2-OE2 2.71Å; R846-F1057 WeakPolarHBondContact O-CA 3.46Å; R846-L1058 HydrophobicContact CB-CB 3.93Å; R846-L1058 PolarHBondContact O-N 3.43Å; R846-P1059 PolarHBondContact NH1-O 2.76Å; R846-P1059 VanDerWaalsContact NH1-O 3.12Å
847	V	95.1	Very high	91.1	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	143.9	173	-64.2	0	0	0	0	110.1	V755 H1025 V1026 V1027 L1055 T1056 F1057	V755-V847 HydrophobicContact CG2-CG2 4.48Å; V847-H1025 PolarHBondContact N-O 2.89Å; V847-V1026 HydrophobicContact CG2-CG2 4.05Å; V847-V1027 PolarHBondContact O-N 2.91Å; V847-L1055 HydrophobicContact CG1-CB 4.35Å; V847-T1056 CarbonylContact C-O 3.35Å; V847-T1056 WeakPolarHBondContact CA-O 2.96Å; V847-F1057 HydrophobicContact CG1-CD1 3.89Å; V847-F1057 HydrophobicContact CG1-CE1 3.93Å
848	K	93.8	Very high	91.1	Very high	19 Å²	19	28.4 Å²	28.4	8%	0.083	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	139.8	171.3	-163.7	71.6	-177.8	172.7	0	109.7	V1027 G1028 F1029 D1035 T1056 L1058	K848-V1027 HydrophobicContact CD-CB 4.42Å; K848-V1027 HydrophobicContact CD-CG1 4.41Å; K848-V1027 WeakPolarHBondContact CD-O 3.39Å; K848-G1028 PolarHBondContact NZ-O 3.12Å; K848-F1029 HydrophobicContact CD-CE1 4.4Å; K848-F1029 HydrophobicContact CD-CE2 4.47Å; K848-F1029 HydrophobicContact CD-CZ 4.19Å; K848-F1029 VanDerWaalsContact CE-CZ 3.49Å; K848-F1029 HydrophobicContact CG-CE1 4.23Å; K848-F1029 HydrophobicContact CG-CE2 4.03Å; K848-F1029 HydrophobicContact CG-CZ 3.64Å; K848-D1035 IonicContact NZ-OD1 3.87Å; K848-D1035 PolarHBondContact NZ-OD1 3Å; K848-D1035 IonicContact NZ-OD2 3.94Å; K848-D1035 PolarHBondContact NZ-OD2 3.41Å; K848-T1056 HydrophobicContact CB-CG2 4.42Å; K848-T1056 PolarHBondContact N-O 3.21Å; K848-L1058 HydrophobicContact CB-CD1 4.13Å; K848-L1058 HydrophobicContact CB-CD2 4.32Å; K848-L1058 HydrophobicContact CB-CG 4.35Å; K848-L1058 HydrophobicContact CD-CD1 3.95Å
849	S	91.1	Very high	91.1	Very high	5 Å²	5	28.3 Å²	28.3	4%	0.035	14%	0.137	C	C	.	.			trans	-53.7	148.8	169.5	178.1	0	0	0	0	111	N851 V1027 F1029	S849-N851 PolarHBondContact OG-N 2.83Å; S849-V1027 WeakPolarHBondContact CB-O 3.09Å; S849-V1027 PolarHBondContact N-O 2.97Å; S849-F1029 WeakPolarHBondContact O-CE2 3.19Å
850	L	89.6	Confident	91.3	Very high	4 Å²	4	26.8 Å²	26.8	2%	0.021	13%	0.128	C	C	.	.	S	Bend	trans	-90.1	-12.8	-179.1	-60.3	177.4	0	0	0	112.2	L745 L751 G1050 V1052	L745-L850 HydrophobicContact CB-CD1 4.11Å; L745-L850 HydrophobicContact CD2-CD1 4.43Å; L751-L850 HydrophobicContact CD1-CD1 4.45Å; L751-L850 HydrophobicContact CD2-CD1 4.12Å; L751-L850 HydrophobicContact CD2-CG 4.06Å; L850-G1050 PolarHBondContact O-N 3.02Å; L850-V1052 HydrophobicContact CB-CG2 4.28Å; L850-V1052 HydrophobicContact CD1-CG1 4.12Å
851	N	85.6	Confident	91.6	Very high	13 Å²	13	19.7 Å²	19.7	7%	0.07	10%	0.101	C	C	.	.	B	Isolated β-bridge	trans	-95	117.1	171.4	-171.7	-6.1	0	0	0	110.7	I746 S849 G853 D854 F1029	I746-N851 HydrophobicContact CB-CB 4.19Å; S849-N851 PolarHBondContact OG-N 2.83Å; N851-G853 PolarHBondContact OD1-N 2.97Å; N851-G853 VanDerWaalsContact OD1-N 3.17Å; N851-D854 HydrophobicContact CB-CB 3.89Å; N851-F1029 WeakPolarHBondContact O-CD2 3.36Å; N851-F1029 WeakPolarHBondContact O-CE2 3.44Å
852	R	82.2	Confident	91.8	Very high	102 Å²	102	14.1 Å²	14.1	39%	0.385	8%	0.08	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-12.1	-177.6	-54.5	171.1	163.3	163.2	-5.3	114.1	D854 F1029 S1047 S1048 Y1049	R852-D854 VanDerWaalsContact C-N 3.31Å; R852-F1029 HydrophobicContact CB-CE1 4.42Å; R852-F1029 HydrophobicContact CB-CE2 4.33Å; R852-F1029 HydrophobicContact CB-CZ 4.27Å; R852-F1029 HydrophobicContact CG-CE1 4.22Å; R852-F1029 HydrophobicContact CG-CE2 4.24Å; R852-F1029 HydrophobicContact CG-CZ 3.86Å; R852-S1047 PolarHBondContact NH1-O 2.87Å; R852-S1048 WeakPolarHBondContact CB-O 3.35Å; R852-S1048 PolarHBondContact N-O 2.99Å; R852-Y1049 PolarHBondContact NH1-O 2.98Å
853	G	77.3	Confident	92	Very high	55 Å²	55	12.7 Å²	12.7	57%	0.567	7%	0.073	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-7.7	174.8	0	0	0	0	0	113.2	N851	N851-G853 PolarHBondContact OD1-N 2.97Å; N851-G853 VanDerWaalsContact OD1-N 3.17Å
854	D	82.9	Confident	92	Very high	11 Å²	11	12.8 Å²	12.8	6%	0.059	7%	0.073	C	C	.	.			trans	-101.3	118.1	-169.3	-157.7	-22.6	0	0	0	111.9	N851 R852 N856 F1029	N851-D854 HydrophobicContact CB-CB 3.89Å; R852-D854 VanDerWaalsContact C-N 3.31Å; D854-N856 VanDerWaalsContact C-N 3.32Å; D854-N856 WeakPolarHBondContact OD1-CB 3.31Å; D854-N856 VanDerWaalsContact OD1-CG 3.31Å; D854-N856 PolarHBondContact OD1-N 2.81Å; D854-N856 PolarHBondContact OD1-ND2 3.07Å; D854-N856 VanDerWaalsContact OD1-ND2 3.17Å; D854-F1029 PolarHBondContact O-N 2.95Å
855	P	89.3	Confident	91.8	Very high	26 Å²	26	13.3 Å²	13.3	17%	0.169	8%	0.077	C	C	.	.			trans	-79	-14.2	172.4	34.7	-35.5	0	0	0	113	A922 T923 F1029	P855-A922 VanDerWaalsContact O-CB 3.31Å; P855-A922 WeakPolarHBondContact O-CB 3.21Å; P855-A922 PolarHBondContact O-N 3.36Å; P855-T923 HydrophobicContact CB-CG2 3.95Å; P855-F1029 WeakPolarHBondContact CA-O 3.35Å
856	N	90.6	Very high	91.5	Very high	4 Å²	4	13.9 Å²	13.9	2%	0.021	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	141.5	-172.5	-59.6	-33	0	0	0	111.5	D854 T920 G1028	D854-N856 VanDerWaalsContact C-N 3.32Å; D854-N856 WeakPolarHBondContact OD1-CB 3.31Å; D854-N856 VanDerWaalsContact OD1-CG 3.31Å; D854-N856 PolarHBondContact OD1-N 2.81Å; D854-N856 PolarHBondContact OD1-ND2 3.07Å; D854-N856 VanDerWaalsContact OD1-ND2 3.17Å; N856-T920 CarbonylContact C-O 3.56Å; N856-T920 WeakPolarHBondContact CA-O 3.03Å; N856-G1028 WeakPolarHBondContact O-CA 3.48Å; N856-G1028 PolarHBondContact O-N 2.94Å
857	S	93.4	Very high	91.2	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	137.1	-175.9	-53.1	0	0	0	0	109.4	E919 T920 V1026 G1028	S857-E919 CarbonylContact O-C 3.59Å; S857-E919 WeakPolarHBondContact O-CA 3.4Å; S857-T920 PolarHBondContact N-O 2.96Å; S857-T920 PolarHBondContact O-N 3.47Å; S857-V1026 CarbonylContact C-O 3.53Å; S857-V1026 WeakPolarHBondContact CA-O 3.38Å; S857-V1026 VanDerWaalsContact CB-O 3.32Å; S857-V1026 WeakPolarHBondContact CB-O 3.22Å; S857-G1028 WeakPolarHBondContact OG-CA 3.17Å; S857-G1028 PolarHBondContact OG-N 3.43Å
858	E	95	Very high	90.8	Very high	10 Å²	10	16.8 Å²	16.8	5%	0.047	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	133.5	172.8	-163.9	-147.8	144.5	0	0	109.4	D749 G752 T860 T917 H1025 V1026	D749-E858 WeakPolarHBondContact CA-OE2 3.5Å; G752-E858 VanDerWaalsContact CA-OE2 3.28Å; G752-E858 WeakPolarHBondContact CA-OE2 3.44Å; E858-T860 WeakPolarHBondContact OE1-CB 3.17Å; E858-T860 PolarHBondContact OE1-OG1 3.22Å; E858-T917 HydrophobicContact CG-CG2 4.09Å; E858-H1025 CarbonylContact O-C 3.25Å; E858-H1025 WeakPolarHBondContact O-CA 3.31Å; E858-V1026 HydrophobicContact CB-CB 4.26Å; E858-V1026 PolarHBondContact N-O 2.94Å; E858-V1026 PolarHBondContact O-N 2.55Å
859	V	96.9	Very high	90.6	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	104.6	171.5	-179.1	0	0	0	0	109.1	V861 T917 V918 V930 E931 I934	V859-V861 HydrophobicContact CG1-CG2 4.36Å; V859-T917 WeakPolarHBondContact O-CA 3.39Å; V859-V918 PolarHBondContact N-O 2.89Å; V859-V918 PolarHBondContact O-N 3.46Å; V859-V930 HydrophobicContact CB-CG1 3.89Å; V859-V930 HydrophobicContact CG1-CG1 4.17Å; V859-V930 HydrophobicContact CG2-CB 4.19Å; V859-V930 HydrophobicContact CG2-CG1 4.05Å; V859-E931 HydrophobicContact CG1-CB 4.12Å; V859-I934 HydrophobicContact CG1-CD1 3.95Å
860	T	97.1	Very high	90.5	Very high	4 Å²	4	20.2 Å²	20.2	3%	0.025	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	121	176.9	-79.2	0	0	0	0	110.5	E858 T917 S1023 V1024	E858-T860 WeakPolarHBondContact OE1-CB 3.17Å; E858-T860 PolarHBondContact OE1-OG1 3.22Å; T860-T917 WeakPolarHBondContact OG1-CB 3.48Å; T860-T917 VanDerWaalsContact OG1-CG2 3.25Å; T860-T917 WeakPolarHBondContact OG1-CG2 3.47Å; T860-T917 PolarHBondContact OG1-OG1 3.42Å; T860-S1023 WeakPolarHBondContact O-CA 3.48Å; T860-V1024 PolarHBondContact N-O 2.72Å; T860-V1024 PolarHBondContact O-N 2.9Å
861	V	96.6	Very high	90.5	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	110	178.5	-173.4	0	0	0	0	109.4	V859 Y863 S915 V916 E931 I934 K1021	V859-V861 HydrophobicContact CG1-CG2 4.36Å; V861-Y863 HydrophobicContact CG1-CE2 3.71Å; V861-Y863 WeakPolarHBondContact CG1-OH 3.19Å; V861-S915 CarbonylContact O-C 3.46Å; V861-S915 WeakPolarHBondContact O-CA 3.48Å; V861-S915 WeakPolarHBondContact O-CB 3.29Å; V861-V916 PolarHBondContact N-O 3.09Å; V861-V916 PolarHBondContact O-N 2.88Å; V861-V916 VanDerWaalsContact O-N 3.09Å; V861-E931 HydrophobicContact CG2-CG 4.08Å; V861-I934 HydrophobicContact CB-CG2 4.04Å; V861-I934 HydrophobicContact CG2-CB 4.35Å; V861-I934 HydrophobicContact CG2-CD1 3.87Å; V861-I934 HydrophobicContact CG2-CG2 3.91Å; V861-K1021 HydrophobicContact CG1-CD 4.33Å; V861-K1021 HydrophobicContact CG1-CG 4.31Å
862	Y	96.4	Very high	90.7	Very high	1 Å²	1	27.3 Å²	27.3	0%	0.004	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	137.5	-172.4	172	-110.5	0	0	0	113.1	L760 L838 Q864 R906 F914 K1021 L1022	L760-Y862 HydrophobicContact CD1-CD1 4.08Å; L760-Y862 HydrophobicContact CD1-CE1 3.6Å; L760-Y862 HydrophobicContact CD2-CD1 4.35Å; L760-Y862 HydrophobicContact CD2-CE1 3.79Å; L760-Y862 HydrophobicContact CG-CE1 4.36Å; L838-Y862 HydrophobicContact CD1-CE1 4.4Å; Y862-Q864 HydrophobicContact CE1-CB 3.78Å; Y862-Q864 HydrophobicContact CE1-CG 4.46Å; Y862-R906 HydrophobicContact CD2-CB 4.48Å; Y862-R906 HydrophobicContact CD2-CG 4.24Å; Y862-R906 HydrophobicContact CE2-CB 3.97Å; Y862-R906 HydrophobicContact CE2-CG 4.24Å; Y862-F914 WeakPolarHBondContact CA-O 3.26Å; Y862-F914 WeakPolarHBondContact CD2-O 3.17Å; Y862-K1021 WeakPolarHBondContact O-CA 3.09Å; Y862-L1022 HydrophobicContact CD1-CB 4.29Å; Y862-L1022 HydrophobicContact CD1-CD2 4.48Å; Y862-L1022 PolarHBondContact N-O 3.4Å; Y862-L1022 PolarHBondContact O-N 2.96Å
863	Y	95.9	Very high	91	Very high	2 Å²	2	22.5 Å²	22.5	1%	0.008	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	108.7	179.2	-58.7	-92.5	0	0	0	110.5	V861 G913 F914 E935 L938 H1015 K1021	V861-Y863 HydrophobicContact CG1-CE2 3.71Å; V861-Y863 WeakPolarHBondContact CG1-OH 3.19Å; Y863-G913 CarbonylContact O-C 3.57Å; Y863-G913 WeakPolarHBondContact O-CA 3.27Å; Y863-F914 HydrophobicContact CD1-CZ 4.48Å; Y863-F914 AromaticContact CD2-CD2 3.99Å; Y863-F914 HydrophobicContact CD2-CD2 3.99Å; Y863-F914 HydrophobicContact CD2-CE1 4.24Å; Y863-F914 AromaticContact CD2-CE2 3.43Å; Y863-F914 HydrophobicContact CD2-CE2 3.43Å; Y863-F914 VanDerWaalsContact CD2-CE2 3.43Å; Y863-F914 AromaticContact CD2-CZ 3.57Å; Y863-F914 HydrophobicContact CD2-CZ 3.57Å; Y863-F914 AromaticContact CE2-CE2 3.96Å; Y863-F914 HydrophobicContact CE2-CE2 3.96Å; Y863-F914 HydrophobicContact CE2-CZ 4.28Å; Y863-F914 HydrophobicContact CG-CE1 4.07Å; Y863-F914 HydrophobicContact CG-CE2 4.06Å; Y863-F914 AromaticContact CG-CZ 3.7Å; Y863-F914 HydrophobicContact CG-CZ 3.7Å; Y863-F914 PolarHBondContact N-O 3.49Å; Y863-F914 PolarHBondContact O-N 3.28Å; Y863-F914 VanDerWaalsContact O-N 3.13Å; Y863-E935 VanDerWaalsContact OH-CD 3.32Å; Y863-E935 PolarHBondContact OH-OE1 2.96Å; Y863-E935 PolarHBondContact OH-OE2 3.13Å; Y863-L938 HydrophobicContact CE2-CD1 3.57Å; Y863-L938 VanDerWaalsContact OH-CD1 3.24Å; Y863-L938 WeakPolarHBondContact OH-CD1 3.25Å; Y863-H1015 AromaticContact CE1-CD2 3.96Å; Y863-K1021 HydrophobicContact CD1-CB 4.19Å; Y863-K1021 HydrophobicContact CD1-CG 4.27Å; Y863-K1021 HydrophobicContact CE1-CB 4.1Å; Y863-K1021 HydrophobicContact CE1-CD 3.95Å; Y863-K1021 HydrophobicContact CE1-CG 3.83Å
864	Q	95.4	Very high	91.7	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.009	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	126.8	180	-174.6	-176.8	60.8	0	0	112.2	V836 L838 Y862 V911 R1020	V836-Q864 PolarHBondContact O-NE2 2.93Å; V836-Q864 PolarHBondContact O-OE1 2.89Å; L838-Q864 HydrophobicContact CD1-CB 4.12Å; Y862-Q864 HydrophobicContact CE1-CB 3.78Å; Y862-Q864 HydrophobicContact CE1-CG 4.46Å; Q864-V911 HydrophobicContact CG-CG1 3.96Å; Q864-R1020 HydrophobicContact CB-CB 3.91Å; Q864-R1020 PolarHBondContact N-O 3.25Å; Q864-R1020 WeakPolarHBondContact O-CB 3.18Å; Q864-R1020 VanDerWaalsContact OE1-CD 3.26Å
865	S	91.7	Very high	92	Very high	13 Å²	13	19.7 Å²	19.7	9%	0.091	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	-72.5	172.3	168.4	0	0	0	0	111.7	L912 H1014 R1020	S865-L912 PolarHBondContact N-O 3.38Å; S865-H1014 PolarHBondContact OG-NE2 3.13Å; S865-R1020 PolarHBondContact O-NH1 2.7Å
866	G	89.5	Confident	92.1	Very high	11 Å²	11	18.4 Å²	18.4	11%	0.113	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	164.7	-164.1	-171.9	0	0	0	0	0	113.3	K868 V911 L912	G866-K868 PolarHBondContact O-N 2.85Å; G866-V911 CarbonylContact O-C 3.54Å; G866-V911 WeakPolarHBondContact O-CA 3.35Å; G866-L912 PolarHBondContact N-O 3Å; G866-L912 PolarHBondContact O-N 3.34Å
867	L	89.9	Confident	92	Very high	66 Å²	66	20 Å²	20	35%	0.346	10%	0.1	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59	135.1	179.7	-70	168.6	0	0	0	111.1	V911 H1084 P1085 Y1087	L867-V911 HydrophobicContact CD2-CG2 4.14Å; L867-H1084 HydrophobicContact CD2-CB 4.11Å; L867-P1085 HydrophobicContact CD1-CG 3.74Å; L867-P1085 HydrophobicContact CD2-CG 4.13Å; L867-Y1087 HydrophobicContact CD2-CD2 4.38Å
868	K	86.7	Confident	91.9	Very high	4 Å²	4	20 Å²	20	2%	0.017	10%	0.1	C	C	.	.			trans	-54.7	138.9	176.3	-178.2	174.3	-173	173.2	0	110.4	G866 N907 G910 L912 Y980 Y1087	G866-K868 PolarHBondContact O-N 2.85Å; K868-N907 PolarHBondContact NZ-ND2 2.6Å; K868-G910 VanDerWaalsContact CB-O 3.28Å; K868-G910 WeakPolarHBondContact CB-O 3.38Å; K868-G910 PolarHBondContact N-O 2.84Å; K868-L912 HydrophobicContact CB-CD1 4.12Å; K868-L912 HydrophobicContact CB-CD2 3.84Å; K868-L912 HydrophobicContact CB-CG 3.78Å; K868-L912 HydrophobicContact CD-CD2 4.04Å; K868-L912 HydrophobicContact CG-CD1 4.12Å; K868-L912 HydrophobicContact CG-CD2 3.85Å; K868-L912 HydrophobicContact CG-CG 4.12Å; K868-Y980 PolarHBondContact NZ-OH 2.83Å; K868-Y1087 HydrophobicContact CB-CD1 4.47Å; K868-Y1087 HydrophobicContact CB-CD2 4.48Å; K868-Y1087 HydrophobicContact CB-CE1 3.86Å; K868-Y1087 HydrophobicContact CB-CE2 3.9Å; K868-Y1087 WeakPolarHBondContact CB-OH 3.37Å; K868-Y1087 HydrophobicContact CD-CE1 3.83Å; K868-Y1087 HydrophobicContact CG-CE1 4.04Å; K868-Y1087 WeakPolarHBondContact CG-OH 3.26Å; K868-Y1087 WeakPolarHBondContact O-CE2 3.26Å; K868-Y1087 PolarHBondContact O-OH 3.35Å
869	T	89.4	Confident	91.8	Very high	63 Å²	63	19.6 Å²	19.6	39%	0.387	10%	0.098	S	C	.	.			trans	-140	159.8	162.7	71.1	0	0	0	0	106.5	R871 E872 H873	T869-R871 PolarHBondContact O-N 3.38Å; T869-E872 PolarHBondContact O-N 3.35Å; T869-E872 WeakPolarHBondContact OG1-CB 3.26Å; T869-E872 VanDerWaalsContact OG1-CG 3.28Å; T869-E872 WeakPolarHBondContact OG1-CG 3.1Å; T869-E872 PolarHBondContact OG1-N 2.95Å; T869-H873 VanDerWaalsContact O-CB 3.24Å; T869-H873 WeakPolarHBondContact O-CB 3.39Å; T869-H873 PolarHBondContact O-N 3.1Å
870	L	88.5	Confident	91.5	Very high	34 Å²	34	20.3 Å²	20.3	18%	0.178	10%	0.103	C	C	.	.	H	α-helix	trans	-56.7	-35.5	178.1	-60.8	171.3	0	0	0	111.6	A874 L988 R991 R994 E995 I1089	L870-A874 WeakPolarHBondContact O-CB 3.3Å; L870-A874 PolarHBondContact O-N 3.37Å; L870-L988 HydrophobicContact CD1-CD2 4.15Å; L870-L988 HydrophobicContact CD2-CD2 3.65Å; L870-L988 HydrophobicContact CG-CD2 4.41Å; L870-R991 HydrophobicContact CD2-CG 4.12Å; L870-R994 HydrophobicContact CD1-CB 3.84Å; L870-E995 HydrophobicContact CB-CG 4.27Å; L870-E995 HydrophobicContact CD2-CG 3.94Å; L870-I1089 HydrophobicContact CD2-CD1 4.46Å
871	R	89.9	Confident	91	Very high	118 Å²	118	22 Å²	22	45%	0.445	11%	0.111	S	C	.	.	H	α-helix	trans	-68.9	-51.3	176.1	-177.4	164.8	-171.7	-140.1	7	113.7	T869 H873 L875 V998 F1002	T869-R871 PolarHBondContact O-N 3.38Å; R871-H873 PolarHBondContact O-N 3.25Å; R871-L875 WeakPolarHBondContact O-CB 3.46Å; R871-L875 PolarHBondContact O-N 2.68Å; R871-V998 HydrophobicContact CB-CG1 3.81Å; R871-V998 HydrophobicContact CG-CG1 4.07Å; R871-F1002 HydrophobicContact CG-CE1 3.8Å; R871-F1002 HydrophobicContact CG-CZ 4Å
872	E	89.4	Confident	90.7	Very high	47 Å²	47	23 Å²	23	22%	0.22	12%	0.116	C	C	.	.	H	α-helix	trans	-65.2	-32.6	179.3	-64.8	-70	138	0	0	111.4	T869 M876 L912 W1010	T869-E872 PolarHBondContact O-N 3.35Å; T869-E872 WeakPolarHBondContact OG1-CB 3.26Å; T869-E872 VanDerWaalsContact OG1-CG 3.28Å; T869-E872 WeakPolarHBondContact OG1-CG 3.1Å; T869-E872 PolarHBondContact OG1-N 2.95Å; E872-M876 VanDerWaalsContact O-CB 3.27Å; E872-M876 WeakPolarHBondContact O-CB 3.24Å; E872-M876 PolarHBondContact O-N 2.89Å; E872-L912 HydrophobicContact CB-CD1 3.84Å; E872-W1010 PolarHBondContact OE2-NE1 3.36Å
873	H	89.9	Confident	90.4	Very high	1 Å²	1	23 Å²	23	1%	0.005	12%	0.116	C	C	.	.	H	α-helix	trans	-66.6	-58	176	-170.4	45.8	0	0	0	111.4	R140 T869 R871 L875 M876 E877 F905 L912 E995	R140-H873 PolarHBondContact NH1-CE1 3.44Å; R140-H873 VanDerWaalsContact NH1-CE1 3.29Å; R140-H873 PolarHBondContact NH1-NE2 3.28Å; T869-H873 VanDerWaalsContact O-CB 3.24Å; T869-H873 WeakPolarHBondContact O-CB 3.39Å; T869-H873 PolarHBondContact O-N 3.1Å; R871-H873 PolarHBondContact O-N 3.25Å; H873-L875 VanDerWaalsContact C-N 3.29Å; H873-L875 PolarHBondContact O-N 2.73Å; H873-M876 PolarHBondContact O-N 2.75Å; H873-E877 WeakPolarHBondContact O-CB 3.29Å; H873-E877 PolarHBondContact O-N 2.69Å; H873-F905 AromaticContact CE1-CE1 3.46Å; H873-F905 VanDerWaalsContact CE1-CE1 3.46Å; H873-F905 WeakPolarHBondContact CE1-CE1 3.27Å; H873-F905 AromaticContact CE1-CE2 3.91Å; H873-F905 AromaticContact CE1-CZ 3.2Å; H873-F905 WeakPolarHBondContact CE1-CZ 3.26Å; H873-F905 AromaticContact ND1-CE1 3.75Å; H873-F905 AromaticContact ND1-CE2 3.33Å; H873-F905 VanDerWaalsContact ND1-CE2 3.33Å; H873-F905 WeakPolarHBondContact ND1-CE2 2.98Å; H873-F905 AromaticContact ND1-CZ 2.98Å; H873-F905 WeakPolarHBondContact ND1-CZ 3.33Å; H873-L912 HydrophobicContact CB-CD1 4.16Å; H873-E995 IonicContact CD2-OE1 3.24Å; H873-E995 PolarHBondContact CD2-OE1 3.14Å; H873-E995 VanDerWaalsContact CD2-OE1 3.29Å; H873-E995 IonicContact CD2-OE2 3.03Å
874	A	90.5	Very high	90	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-63.9	-32	-178.2	0	0	0	0	0	113	L870 L878 E995 L999 F1002	L870-A874 WeakPolarHBondContact O-CB 3.3Å; L870-A874 PolarHBondContact O-N 3.37Å; A874-L878 WeakPolarHBondContact O-CB 3.27Å; A874-L878 PolarHBondContact O-N 3.2Å; A874-L878 VanDerWaalsContact O-N 3.08Å; A874-E995 HydrophobicContact CB-CB 4.48Å; A874-L999 HydrophobicContact CB-CD2 3.98Å; A874-L999 HydrophobicContact CB-CG 4Å; A874-F1002 HydrophobicContact CB-CE2 4.3Å; A874-F1002 HydrophobicContact CB-CZ 4.31Å
875	L	90.4	Very high	89.5	Confident	7 Å²	7	29.5 Å²	29.5	4%	0.037	15%	0.147	C	C	.	.	H	α-helix	trans	-68.3	-43.5	175.4	-173.6	156.5	0	0	0	111.5	R871 H873 L878 M879 F1002 L1007 W1010	R871-L875 WeakPolarHBondContact O-CB 3.46Å; R871-L875 PolarHBondContact O-N 2.68Å; H873-L875 VanDerWaalsContact C-N 3.29Å; H873-L875 PolarHBondContact O-N 2.73Å; L875-L878 PolarHBondContact O-N 3.29Å; L875-M879 WeakPolarHBondContact O-CB 3.44Å; L875-M879 PolarHBondContact O-N 3.42Å; L875-F1002 HydrophobicContact CB-CE2 3.69Å; L875-F1002 HydrophobicContact CB-CZ 3.89Å; L875-F1002 HydrophobicContact CG-CE2 4.37Å; L875-L1007 HydrophobicContact CD2-CD1 3.74Å; L875-L1007 HydrophobicContact CG-CD1 4.06Å; L875-W1010 HydrophobicContact CD1-CB 4.19Å; L875-W1010 HydrophobicContact CD1-CG 4.09Å; L875-W1010 HydrophobicContact CD2-CB 3.92Å; L875-W1010 HydrophobicContact CD2-CD2 3.39Å; L875-W1010 HydrophobicContact CD2-CE3 3.76Å; L875-W1010 HydrophobicContact CD2-CG 3.44Å; L875-W1010 VanDerWaalsContact CD2-CG 3.44Å; L875-W1010 HydrophobicContact CG-CG 4.46Å
876	M	90.9	Very high	89.4	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-72.9	-32.9	-178.6	-165.5	-176.9	-66.3	0	0	112.2	E872 H873 M879 V880 F905 L912 F914 W1010	E872-M876 VanDerWaalsContact O-CB 3.27Å; E872-M876 WeakPolarHBondContact O-CB 3.24Å; E872-M876 PolarHBondContact O-N 2.89Å; H873-M876 PolarHBondContact O-N 2.75Å; M876-M879 HydrophobicContact CG-CE 4.45Å; M876-M879 WeakPolarHBondContact O-CB 3.47Å; M876-M879 PolarHBondContact O-N 3.03Å; M876-V880 VanDerWaalsContact O-CG2 3.31Å; M876-V880 WeakPolarHBondContact O-CG2 3.18Å; M876-V880 PolarHBondContact O-N 3.24Å; M876-F905 HydrophobicContact CB-CD2 4.02Å; M876-F905 HydrophobicContact CB-CE2 4.31Å; M876-F905 HydrophobicContact CG-CD2 3.83Å; M876-F905 HydrophobicContact CG-CE2 4.37Å; M876-F905 HydrophobicContact SD-CD2 3.62Å; M876-F905 HydrophobicContact SD-CE2 3.79Å; M876-L912 HydrophobicContact CE-CB 3.58Å; M876-L912 HydrophobicContact CE-CD1 4.43Å; M876-L912 HydrophobicContact SD-CB 4.1Å; M876-F914 HydrophobicContact CG-CB 4.37Å; M876-F914 HydrophobicContact SD-CB 4.37Å; M876-W1010 HydrophobicContact CE-CH2 3.6Å; M876-W1010 HydrophobicContact CE-CZ2 3.52Å; M876-W1010 HydrophobicContact CG-CH2 4.28Å
877	E	89.5	Confident	89.4	Confident	37 Å²	37	29 Å²	29	17%	0.173	14%	0.141	C	C	.	.	H	α-helix	trans	-63.7	-49	171.4	-169.6	177	-165.2	0	0	111	H873 M879 V880 M881 L960 K964	H873-E877 WeakPolarHBondContact O-CB 3.29Å; H873-E877 PolarHBondContact O-N 2.69Å; E877-M879 VanDerWaalsContact C-N 3.29Å; E877-M879 PolarHBondContact O-N 3.42Å; E877-V880 PolarHBondContact O-N 2.67Å; E877-M881 WeakPolarHBondContact O-CB 3.02Å; E877-M881 PolarHBondContact O-N 2.95Å; E877-L960 HydrophobicContact CB-CD2 4.49Å; E877-L960 HydrophobicContact CG-CD1 4.1Å; E877-L960 HydrophobicContact CG-CD2 4.37Å; E877-K964 IonicContact OE1-NZ 3.87Å; E877-K964 PolarHBondContact OE1-NZ 3.42Å; E877-K964 WeakPolarHBondContact OE2-CE 3.42Å; E877-K964 IonicContact OE2-NZ 2.62Å; E877-K964 PolarHBondContact OE2-NZ 3.24Å
878	L	90.8	Very high	89.1	Confident	1 Å²	1	26.2 Å²	26.2	1%	0.005	13%	0.126	C	C	.	.	H	α-helix	trans	-58.8	-39.4	171.9	-178.3	64.4	0	0	0	112.4	A874 L875 L882 F953 Q956 V957 L960 F1002 L1007	A874-L878 WeakPolarHBondContact O-CB 3.27Å; A874-L878 PolarHBondContact O-N 3.2Å; A874-L878 VanDerWaalsContact O-N 3.08Å; L875-L878 PolarHBondContact O-N 3.29Å; L878-L882 HydrophobicContact CD1-CD1 4.39Å; L878-L882 HydrophobicContact CG-CD1 4.19Å; L878-L882 WeakPolarHBondContact O-CB 3.48Å; L878-L882 WeakPolarHBondContact O-CD1 3.28Å; L878-L882 WeakPolarHBondContact O-CG 3.4Å; L878-L882 PolarHBondContact O-N 3.17Å; L878-L882 VanDerWaalsContact O-N 3.08Å; L878-F953 HydrophobicContact CD2-CE2 3.95Å; L878-F953 HydrophobicContact CD2-CZ 4.31Å; L878-Q956 HydrophobicContact CD1-CB 4.39Å; L878-V957 HydrophobicContact CD1-CG2 4.33Å; L878-V957 HydrophobicContact CD2-CG2 3.69Å; L878-L960 HydrophobicContact CB-CD2 3.68Å; L878-L960 HydrophobicContact CD1-CB 4.43Å; L878-L960 HydrophobicContact CD1-CD2 4.14Å; L878-L960 HydrophobicContact CG-CD2 4.49Å; L878-F1002 HydrophobicContact CD2-CD2 4.22Å; L878-L1007 HydrophobicContact CD2-CD2 4.36Å; L878-L1007 HydrophobicContact CG-CD2 4.5Å
879	M	91.8	Very high	88.9	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-65.1	-42.7	177.5	-168.6	-157.1	67.6	0	0	111.9	L875 M876 E877 L882 M883 F914 F941 L1007 W1010 F1011	L875-M879 WeakPolarHBondContact O-CB 3.44Å; L875-M879 PolarHBondContact O-N 3.42Å; M876-M879 HydrophobicContact CG-CE 4.45Å; M876-M879 WeakPolarHBondContact O-CB 3.47Å; M876-M879 PolarHBondContact O-N 3.03Å; E877-M879 VanDerWaalsContact C-N 3.29Å; E877-M879 PolarHBondContact O-N 3.42Å; M879-L882 PolarHBondContact O-N 2.87Å; M879-M883 HydrophobicContact CE-CE 3.65Å; M879-M883 HydrophobicContact CG-CE 4.42Å; M879-M883 WeakPolarHBondContact O-CB 3.32Å; M879-M883 PolarHBondContact O-N 3.39Å; M879-M883 HydrophobicContact SD-CE 4.12Å; M879-F914 HydrophobicContact CE-CB 3.82Å; M879-F914 HydrophobicContact CE-CD1 3.69Å; M879-F914 HydrophobicContact CE-CD2 3.83Å; M879-F914 HydrophobicContact CE-CE1 4.15Å; M879-F914 HydrophobicContact CE-CE2 4.28Å; M879-F914 HydrophobicContact CE-CG 3.5Å; M879-F914 HydrophobicContact CE-CZ 4.43Å; M879-F914 HydrophobicContact SD-CD1 4.46Å; M879-F914 HydrophobicContact SD-CE1 4.46Å; M879-F941 HydrophobicContact CG-CE1 4.48Å; M879-L1007 HydrophobicContact CB-CD1 3.8Å; M879-L1007 HydrophobicContact CG-CD1 4.07Å; M879-W1010 HydrophobicContact CE-CZ3 4.35Å; M879-W1010 HydrophobicContact SD-CE3 3.98Å; M879-W1010 HydrophobicContact SD-CZ3 3.51Å; M879-W1010 VanDerWaalsContact SD-CZ3 3.51Å; M879-F1011 HydrophobicContact SD-CB 4.47Å; M879-F1011 HydrophobicContact SD-CD2 3.69Å
880	V	90.9	Very high	89	Confident	16 Å²	16	25.2 Å²	25.2	10%	0.097	12%	0.116	C	C	.	.	H	α-helix	trans	-70.5	-42.4	-179.7	169.5	0	0	0	0	110.4	M876 E877 L882 M883 E884 P903 F905 F914	M876-V880 VanDerWaalsContact O-CG2 3.31Å; M876-V880 WeakPolarHBondContact O-CG2 3.18Å; M876-V880 PolarHBondContact O-N 3.24Å; E877-V880 PolarHBondContact O-N 2.67Å; V880-L882 PolarHBondContact O-N 3.11Å; V880-M883 CarbonylContact O-C 3.58Å; V880-M883 WeakPolarHBondContact O-CA 3.25Å; V880-M883 WeakPolarHBondContact O-CB 3.32Å; V880-M883 PolarHBondContact O-N 2.78Å; V880-E884 PolarHBondContact O-N 2.82Å; V880-P903 HydrophobicContact CG1-CB 4.31Å; V880-P903 HydrophobicContact CG1-CG 4.32Å; V880-F905 HydrophobicContact CG2-CB 4.16Å; V880-F914 HydrophobicContact CG2-CB 4.32Å
881	M	87.3	Confident	89.1	Confident	40 Å²	40	23.6 Å²	23.6	20%	0.197	11%	0.108	C	C	.	.	H	α-helix	trans	-58	-34.1	172.5	-175.6	-175.8	-178.4	0	0	113	E877 A959 L960	E877-M881 WeakPolarHBondContact O-CB 3.02Å; E877-M881 PolarHBondContact O-N 2.95Å; M881-A959 HydrophobicContact CE-CB 3.93Å; M881-L960 HydrophobicContact SD-CB 4.11Å; M881-L960 HydrophobicContact SD-CD1 4.48Å
882	L	89.8	Confident	88.9	Confident	21 Å²	21	18.8 Å²	18.8	11%	0.11	9%	0.09	C	C	.	.	H	α-helix	trans	-78.8	-24.1	172.5	-77.5	166.4	0	0	0	113.6	L878 M879 V880 F941 L945 L948 Q956 L1007	L878-L882 HydrophobicContact CD1-CD1 4.39Å; L878-L882 HydrophobicContact CG-CD1 4.19Å; L878-L882 WeakPolarHBondContact O-CB 3.48Å; L878-L882 WeakPolarHBondContact O-CD1 3.28Å; L878-L882 WeakPolarHBondContact O-CG 3.4Å; L878-L882 PolarHBondContact O-N 3.17Å; L878-L882 VanDerWaalsContact O-N 3.08Å; M879-L882 PolarHBondContact O-N 2.87Å; V880-L882 PolarHBondContact O-N 3.11Å; L882-F941 HydrophobicContact CB-CZ 4.3Å; L882-F941 VanDerWaalsContact O-CE2 3.28Å; L882-F941 WeakPolarHBondContact O-CE2 3.39Å; L882-L945 HydrophobicContact CD1-CD1 4.23Å; L882-L948 HydrophobicContact CD1-CD2 4.48Å; L882-L948 HydrophobicContact CD2-CD2 4.38Å; L882-Q956 HydrophobicContact CD2-CB 4.02Å; L882-Q956 HydrophobicContact CD2-CG 3.71Å; L882-L1007 HydrophobicContact CD1-CD2 3.54Å
883	M	90.7	Very high	88.4	Confident	0 Å²	0	17 Å²	17	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-87.9	-20.8	-177.5	-174.5	-178.7	-67.7	0	0	112.4	M879 V880 C887 P903 F914 V916 F937 L938 F941 F1011	M879-M883 HydrophobicContact CE-CE 3.65Å; M879-M883 HydrophobicContact CG-CE 4.42Å; M879-M883 WeakPolarHBondContact O-CB 3.32Å; M879-M883 PolarHBondContact O-N 3.39Å; M879-M883 HydrophobicContact SD-CE 4.12Å; V880-M883 CarbonylContact O-C 3.58Å; V880-M883 WeakPolarHBondContact O-CA 3.25Å; V880-M883 WeakPolarHBondContact O-CB 3.32Å; V880-M883 PolarHBondContact O-N 2.78Å; M883-C887 WeakPolarHBondContact O-CB 3.41Å; M883-C887 PolarHBondContact O-N 2.84Å; M883-P903 HydrophobicContact CB-CB 4.39Å; M883-P903 HydrophobicContact CB-CG 4.45Å; M883-P903 HydrophobicContact CG-CB 3.97Å; M883-P903 HydrophobicContact CG-CG 4.33Å; M883-P903 HydrophobicContact SD-CB 3.83Å; M883-F914 HydrophobicContact CE-CD2 4.22Å; M883-F914 HydrophobicContact CE-CE2 4.05Å; M883-F914 HydrophobicContact SD-CD2 4.41Å; M883-V916 HydrophobicContact SD-CG2 4.08Å; M883-F937 HydrophobicContact CG-CE1 3.93Å; M883-F937 HydrophobicContact CG-CZ 3.87Å; M883-F937 HydrophobicContact SD-CE1 4.4Å; M883-L938 HydrophobicContact CE-CD2 3.86Å; M883-L938 HydrophobicContact SD-CD2 4.02Å; M883-F941 HydrophobicContact CB-CE1 4.05Å; M883-F941 HydrophobicContact CB-CE2 4.02Å; M883-F941 HydrophobicContact CB-CZ 3.7Å; M883-F941 HydrophobicContact CE-CD1 3.7Å; M883-F941 HydrophobicContact CE-CE1 3.49Å; M883-F941 VanDerWaalsContact CE-CE1 3.49Å; M883-F941 HydrophobicContact CE-CZ 4.31Å; M883-F941 HydrophobicContact CG-CD1 4.35Å; M883-F941 HydrophobicContact CG-CE1 4.21Å; M883-F941 HydrophobicContact CG-CE2 4.43Å; M883-F941 HydrophobicContact CG-CG 4.5Å; M883-F941 HydrophobicContact CG-CZ 4.25Å; M883-F1011 HydrophobicContact CE-CD2 4.3Å; M883-F1011 HydrophobicContact CE-CE2 3.77Å
884	E	86.4	Confident	88.1	Confident	91 Å²	91	21.1 Å²	21.1	43%	0.425	10%	0.1	S	C	.	.	S	Bend	trans	-49.7	-91	177.5	-159.4	152.5	-155.2	0	0	109.8	E110 V880 P886 C887 P903	E110-E884 VanDerWaalsContact CD-O 3.28Å; E110-E884 WeakPolarHBondContact OE2-CG 3.4Å; V880-E884 PolarHBondContact O-N 2.82Å; E884-P886 VanDerWaalsContact C-CD 3.48Å; E884-P886 WeakPolarHBondContact O-CD 3.47Å; E884-C887 WeakPolarHBondContact O-CA 3.04Å; E884-C887 WeakPolarHBondContact O-CB 3.36Å; E884-C887 PolarHBondContact O-N 3.42Å; E884-P903 HydrophobicContact CB-CG 4.35Å
885	E	84.9	Confident	87.9	Confident	50 Å²	50	24.1 Å²	24.1	23%	0.234	11%	0.114	C	C	.	.	H	α-helix	trans	-40.2	-45.8	-176.1	-177.7	-104.7	-145.3	0	0	117.8	D108 E110 K196 C887 D889	D108-E885 HydrophobicContact CB-CG 4.27Å; E110-E885 HydrophobicContact CG-CB 4.42Å; K196-E885 HydrophobicContact CD-CB 3.85Å; K196-E885 HydrophobicContact CD-CG 4.29Å; E885-C887 PolarHBondContact O-N 3.47Å; E885-C887 VanDerWaalsContact O-N 3.15Å; E885-D889 PolarHBondContact O-N 3.14Å
886	P	89.5	Confident	87.7	Confident	12 Å²	12	27.8 Å²	27.8	8%	0.078	13%	0.132	C	C	.	.	H	α-helix	trans	-64.5	-17.3	176.7	-27.2	38.7	0	0	0	115.8	E884 F890 F937 F941	E884-P886 VanDerWaalsContact C-CD 3.48Å; E884-P886 WeakPolarHBondContact O-CD 3.47Å; P886-F890 VanDerWaalsContact O-CB 3.27Å; P886-F890 WeakPolarHBondContact O-CB 3.38Å; P886-F890 PolarHBondContact O-N 2.93Å; P886-F937 VanDerWaalsContact C-CE2 3.47Å; P886-F937 HydrophobicContact CB-CE2 3.87Å; P886-F937 HydrophobicContact CB-CZ 4.32Å; P886-F937 WeakPolarHBondContact O-CE2 3.26Å; P886-F941 HydrophobicContact CB-CD2 4.38Å; P886-F941 HydrophobicContact CG-CD2 4.45Å
887	C	90.7	Very high	87.4	Confident	0 Å²	0	28 Å²	28	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-83.4	-56.1	-171.3	-178	0	0	0	0	112.5	M883 E884 E885 D889 F890 L891 P903 F937	M883-C887 WeakPolarHBondContact O-CB 3.41Å; M883-C887 PolarHBondContact O-N 2.84Å; E884-C887 WeakPolarHBondContact O-CA 3.04Å; E884-C887 WeakPolarHBondContact O-CB 3.36Å; E884-C887 PolarHBondContact O-N 3.42Å; E885-C887 PolarHBondContact O-N 3.47Å; E885-C887 VanDerWaalsContact O-N 3.15Å; C887-D889 VanDerWaalsContact C-N 3.32Å; C887-F890 PolarHBondContact O-N 2.72Å; C887-L891 VanDerWaalsContact O-CB 3.26Å; C887-L891 WeakPolarHBondContact O-CB 3.43Å; C887-L891 WeakPolarHBondContact O-CG 3.44Å; C887-L891 PolarHBondContact O-N 3.15Å; C887-P903 HydrophobicContact CB-CG 4.3Å; C887-F937 HydrophobicContact CB-CE1 3.85Å; C887-F937 HydrophobicContact CB-CE2 4.28Å; C887-F937 HydrophobicContact CB-CZ 3.61Å
888	F	84.1	Confident	87	Confident	9 Å²	9	26.8 Å²	26.8	4%	0.039	13%	0.13	C	C	.	.	H	α-helix	trans	-66.8	-35.1	175.6	178.6	-63.7	0	0	0	110.5	E109 E110 R892 T893	E109-F888 HydrophobicContact CB-CE1 4.26Å; E109-F888 WeakPolarHBondContact O-CD1 3.49Å; E109-F888 WeakPolarHBondContact O-CE1 3.19Å; E110-F888 HydrophobicContact CB-CB 3.66Å; E110-F888 HydrophobicContact CB-CD1 4.08Å; E110-F888 HydrophobicContact CB-CD2 3.66Å; E110-F888 HydrophobicContact CB-CE1 4.4Å; E110-F888 HydrophobicContact CB-CE2 4.03Å; E110-F888 HydrophobicContact CB-CG 3.64Å; E110-F888 HydrophobicContact CB-CZ 4.33Å; E110-F888 HydrophobicContact CG-CB 3.51Å; E110-F888 HydrophobicContact CG-CD2 4.46Å; E110-F888 HydrophobicContact CG-CG 4.06Å; E110-F888 WeakPolarHBondContact OE1-CA 3.42Å; E110-F888 WeakPolarHBondContact OE1-CB 3.1Å; E110-F888 PolarHBondContact OE1-N 3.1Å; F888-R892 HydrophobicContact CD1-CB 3.75Å; F888-R892 HydrophobicContact CD1-CG 3.69Å; F888-R892 HydrophobicContact CD2-CB 4.46Å; F888-R892 HydrophobicContact CE1-CB 4.26Å; F888-R892 HydrophobicContact CE1-CG 3.66Å; F888-R892 VanDerWaalsContact CE1-NE 3.3Å; F888-R892 VanDerWaalsContact CE2-CD 3.49Å; F888-R892 HydrophobicContact CG-CB 3.91Å; F888-R892 HydrophobicContact CG-CG 4.19Å; F888-R892 HydrophobicContact CZ-CG 4.14Å; F888-R892 CarbonylContact O-C 3.48Å; F888-R892 WeakPolarHBondContact O-CA 3.2Å; F888-R892 WeakPolarHBondContact O-CB 3.44Å; F888-R892 PolarHBondContact O-N 3.11Å; F888-T893 PolarHBondContact O-N 3.3Å
889	D	82.3	Confident	86.2	Confident	1 Å²	1	27.3 Å²	27.3	1%	0.005	13%	0.132	C	C	.	.	I	π-helix	trans	-51.1	-64.2	169.1	166.6	-115.7	0	0	0	111	D108 E109 E885 C887 L891 T893 K894	D108-D889 HydrophobicContact CB-CB 3.49Å; D108-D889 VanDerWaalsContact CB-CB 3.49Å; D108-D889 VanDerWaalsContact CG-OD1 3.28Å; D108-D889 VanDerWaalsContact OD1-CG 3.31Å; D108-D889 WeakPolarHBondContact OD2-CB 3.37Å; D108-D889 VanDerWaalsContact OD2-CG 3.32Å; E109-D889 PolarHBondContact O-N 2.71Å; E885-D889 PolarHBondContact O-N 3.14Å; C887-D889 VanDerWaalsContact C-N 3.32Å; D889-L891 PolarHBondContact O-N 3.2Å; D889-T893 PolarHBondContact O-N 3.07Å; D889-K894 PolarHBondContact O-N 2.74Å; D889-K894 WeakPolarHBondContact OD1-CD 3.15Å; D889-K894 WeakPolarHBondContact OD1-CE 3.45Å; D889-K894 IonicContact OD1-NZ 3.91Å; D889-K894 PolarHBondContact OD1-NZ 2.79Å; D889-K894 WeakPolarHBondContact OD2-CD 3.17Å; D889-K894 WeakPolarHBondContact OD2-CE 3.34Å; D889-K894 WeakPolarHBondContact OD2-CG 3.38Å; D889-K894 IonicContact OD2-NZ 2.72Å; D889-K894 PolarHBondContact OD2-NZ 2.88Å
890	F	89.9	Confident	85.7	Confident	44 Å²	44	31.1 Å²	31.1	19%	0.193	15%	0.15	C	C	.	.	I	π-helix	trans	-64.1	-37.3	-167.3	-171.9	-79.2	0	0	0	110.1	P886 C887 E895 D936 F937	P886-F890 VanDerWaalsContact O-CB 3.27Å; P886-F890 WeakPolarHBondContact O-CB 3.38Å; P886-F890 PolarHBondContact O-N 2.93Å; C887-F890 PolarHBondContact O-N 2.72Å; F890-E895 HydrophobicContact CD1-CG 4.39Å; F890-E895 HydrophobicContact CE1-CG 4.34Å; F890-E895 WeakPolarHBondContact O-CB 3.37Å; F890-E895 WeakPolarHBondContact O-CG 3.34Å; F890-E895 PolarHBondContact O-N 3.42Å; F890-D936 HydrophobicContact CZ-CB 4.44Å; F890-F937 HydrophobicContact CB-CD2 3.81Å; F890-F937 HydrophobicContact CB-CE2 4.5Å; F890-F937 HydrophobicContact CD1-CB 3.65Å; F890-F937 HydrophobicContact CD1-CD2 4.3Å; F890-F937 HydrophobicContact CD1-CG 4.38Å; F890-F937 HydrophobicContact CE1-CB 3.92Å; F890-F937 HydrophobicContact CG-CB 4.17Å; F890-F937 AromaticContact CG-CD2 3.97Å; F890-F937 HydrophobicContact CG-CD2 3.97Å; F890-F937 HydrophobicContact CG-CG 4.5Å
891	L	90.6	Very high	85.5	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.147	C	C	.	.	I	π-helix	trans	-99.5	-31.3	-171	-61	171.1	0	0	0	114.1	C887 D889 L897 V901 V916 V918 K933 I934 F937	C887-L891 VanDerWaalsContact O-CB 3.26Å; C887-L891 WeakPolarHBondContact O-CB 3.43Å; C887-L891 WeakPolarHBondContact O-CG 3.44Å; C887-L891 PolarHBondContact O-N 3.15Å; D889-L891 PolarHBondContact O-N 3.2Å; L891-L897 HydrophobicContact CB-CD1 4.21Å; L891-L897 HydrophobicContact CD2-CD1 3.66Å; L891-L897 VanDerWaalsContact O-CB 3.27Å; L891-L897 WeakPolarHBondContact O-CB 3.49Å; L891-L897 VanDerWaalsContact O-CG 3.29Å; L891-L897 WeakPolarHBondContact O-CG 3.45Å; L891-L897 PolarHBondContact O-N 2.92Å; L891-V901 HydrophobicContact CB-CB 4.41Å; L891-V901 HydrophobicContact CB-CG1 3.6Å; L891-V901 HydrophobicContact CB-CG2 4.18Å; L891-V901 HydrophobicContact CD1-CG1 3.65Å; L891-V901 HydrophobicContact CG-CG1 4.25Å; L891-V916 HydrophobicContact CD1-CG1 3.89Å; L891-V918 HydrophobicContact CD1-CG2 4.02Å; L891-K933 HydrophobicContact CD2-CB 3.95Å; L891-I934 HydrophobicContact CD1-CG1 4.21Å; L891-F937 HydrophobicContact CD1-CB 4.46Å; L891-F937 HydrophobicContact CD1-CD1 4.28Å; L891-F937 HydrophobicContact CD1-CG 4.39Å; L891-F937 HydrophobicContact CD2-CB 4.22Å; L891-F937 HydrophobicContact CG-CB 4.4Å
892	R	86.4	Confident	85.6	Confident	17 Å²	17	32.9 Å²	32.9	6%	0.064	15%	0.154	C	C	.	.	I	π-helix	trans	-99.6	-61.7	174.4	161.3	165.1	166.2	179.6	-4.3	111.8	E112 F888 M896 G898 Y899 V901	E112-R892 IonicContact OE1-NH2 3.64Å; E112-R892 IonicContact OE2-CZ 2.68Å; E112-R892 IonicContact OE2-NH1 2.73Å; E112-R892 IonicContact OE2-NH2 3.55Å; E112-R892 PolarHBondContact OE2-NH2 3.49Å; F888-R892 HydrophobicContact CD1-CB 3.75Å; F888-R892 HydrophobicContact CD1-CG 3.69Å; F888-R892 HydrophobicContact CD2-CB 4.46Å; F888-R892 HydrophobicContact CE1-CB 4.26Å; F888-R892 HydrophobicContact CE1-CG 3.66Å; F888-R892 VanDerWaalsContact CE1-NE 3.3Å; F888-R892 VanDerWaalsContact CE2-CD 3.49Å; F888-R892 HydrophobicContact CG-CB 3.91Å; F888-R892 HydrophobicContact CG-CG 4.19Å; F888-R892 HydrophobicContact CZ-CG 4.14Å; F888-R892 CarbonylContact O-C 3.48Å; F888-R892 WeakPolarHBondContact O-CA 3.2Å; F888-R892 WeakPolarHBondContact O-CB 3.44Å; F888-R892 PolarHBondContact O-N 3.11Å; R892-M896 WeakPolarHBondContact O-CA 3.37Å; R892-M896 PolarHBondContact O-N 2.85Å; R892-G898 WeakPolarHBondContact CB-O 3.34Å; R892-Y899 VanDerWaalsContact CD-O 3.23Å; R892-Y899 WeakPolarHBondContact CD-O 3.41Å; R892-Y899 VanDerWaalsContact NH1-CD2 3.3Å; R892-Y899 PolarHBondContact NH1-O 2.83Å; R892-V901 HydrophobicContact CB-CB 4.5Å; R892-V901 HydrophobicContact CB-CG2 4.03Å
893	T	79.3	Confident	85.8	Confident	9 Å²	9	32.4 Å²	32.4	6%	0.055	15%	0.152	C	C	.	.	I	π-helix	trans	-67.8	-46	-170.9	-53.7	0	0	0	0	112.8	F888 D889	F888-T893 PolarHBondContact O-N 3.3Å; D889-T893 PolarHBondContact O-N 3.07Å
894	K	83.4	Confident	85.8	Confident	89 Å²	89	32.8 Å²	32.8	39%	0.387	16%	0.155	S	C	.	.	I	π-helix	trans	-88.9	-48.8	-177.7	-72.1	172.9	-170.1	144.4	0	113.8	D107 D108 D889	D107-K894 WeakPolarHBondContact O-CE 3.46Å; D107-K894 PolarHBondContact O-NZ 2.72Å; D108-K894 IonicContact OD1-NZ 3.74Å; D108-K894 PolarHBondContact OD1-NZ 3.25Å; D889-K894 PolarHBondContact O-N 2.74Å; D889-K894 WeakPolarHBondContact OD1-CD 3.15Å; D889-K894 WeakPolarHBondContact OD1-CE 3.45Å; D889-K894 IonicContact OD1-NZ 3.91Å; D889-K894 PolarHBondContact OD1-NZ 2.79Å; D889-K894 WeakPolarHBondContact OD2-CD 3.17Å; D889-K894 WeakPolarHBondContact OD2-CE 3.34Å; D889-K894 WeakPolarHBondContact OD2-CG 3.38Å; D889-K894 IonicContact OD2-NZ 2.72Å; D889-K894 PolarHBondContact OD2-NZ 2.88Å
895	E	86.2	Confident	86.1	Confident	62 Å²	62	29.9 Å²	29.9	29%	0.29	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-12.3	-177.9	-66.6	-82.4	177.4	0	0	114.1	F890 L897 K933	F890-E895 HydrophobicContact CD1-CG 4.39Å; F890-E895 HydrophobicContact CE1-CG 4.34Å; F890-E895 WeakPolarHBondContact O-CB 3.37Å; F890-E895 WeakPolarHBondContact O-CG 3.34Å; F890-E895 PolarHBondContact O-N 3.42Å; E895-L897 VanDerWaalsContact C-N 3.25Å; E895-L897 HydrophobicContact CB-CD1 4.26Å; E895-L897 HydrophobicContact CB-CD2 4.16Å; E895-L897 HydrophobicContact CB-CG 3.83Å; E895-L897 PolarHBondContact O-N 3.39Å; E895-K933 HydrophobicContact CG-CD 4.28Å; E895-K933 IonicContact OE1-NZ 3.22Å; E895-K933 PolarHBondContact OE1-NZ 2.86Å; E895-K933 WeakPolarHBondContact OE2-CE 3.2Å; E895-K933 IonicContact OE2-NZ 3.12Å; E895-K933 PolarHBondContact OE2-NZ 3.07Å
896	M	85.4	Confident	86.4	Confident	85 Å²	85	28.6 Å²	28.6	42%	0.419	13%	0.134	S	C	.	.			trans	53.4	35.7	176.2	-63.6	170.1	-82.4	0	0	114.2	R245 R892 G898 F925	R245-M896 HydrophobicContact CG-SD 4.01Å; R892-M896 WeakPolarHBondContact O-CA 3.37Å; R892-M896 PolarHBondContact O-N 2.85Å; M896-G898 VanDerWaalsContact C-N 3.31Å; M896-G898 PolarHBondContact O-N 3.39Å; M896-F925 WeakPolarHBondContact O-CE2 3.3Å; M896-F925 WeakPolarHBondContact O-CZ 3.2Å
897	L	86.5	Confident	86.4	Confident	3 Å²	3	28.1 Å²	28.1	2%	0.016	13%	0.13	C	C	.	.			trans	-71.1	-27.1	-174.5	-57.7	177.6	0	0	0	113	L891 E895 V918 T920 F925 V930 K933	L891-L897 HydrophobicContact CB-CD1 4.21Å; L891-L897 HydrophobicContact CD2-CD1 3.66Å; L891-L897 VanDerWaalsContact O-CB 3.27Å; L891-L897 WeakPolarHBondContact O-CB 3.49Å; L891-L897 VanDerWaalsContact O-CG 3.29Å; L891-L897 WeakPolarHBondContact O-CG 3.45Å; L891-L897 PolarHBondContact O-N 2.92Å; E895-L897 VanDerWaalsContact C-N 3.25Å; E895-L897 HydrophobicContact CB-CD1 4.26Å; E895-L897 HydrophobicContact CB-CD2 4.16Å; E895-L897 HydrophobicContact CB-CG 3.83Å; E895-L897 PolarHBondContact O-N 3.39Å; L897-V918 HydrophobicContact CB-CG1 4.07Å; L897-T920 VanDerWaalsContact O-CB 3.3Å; L897-T920 WeakPolarHBondContact O-CB 3.18Å; L897-T920 PolarHBondContact O-OG1 3.29Å; L897-F925 HydrophobicContact CD2-CD1 4.21Å; L897-F925 HydrophobicContact CD2-CE1 4.13Å; L897-F925 HydrophobicContact CD2-CE2 4.47Å; L897-F925 HydrophobicContact CD2-CG 4.39Å; L897-F925 HydrophobicContact CD2-CZ 4.26Å; L897-V930 HydrophobicContact CD2-CG2 4.43Å; L897-K933 HydrophobicContact CD1-CB 3.61Å; L897-K933 HydrophobicContact CD1-CG 4.02Å; L897-K933 HydrophobicContact CD2-CG 4.37Å
898	G	79.6	Confident	86.5	Confident	12 Å²	12	28.2 Å²	28.2	12%	0.124	13%	0.131	C	C	.	.			trans	171.3	176.5	173.6	0	0	0	0	0	112.6	R892 M896 E919	R892-G898 WeakPolarHBondContact CB-O 3.34Å; M896-G898 VanDerWaalsContact C-N 3.31Å; M896-G898 PolarHBondContact O-N 3.39Å; G898-E919 WeakPolarHBondContact CA-O 2.97Å
899	Y	73.6	Confident	86.7	Confident	12 Å²	12	28.6 Å²	28.6	5%	0.047	14%	0.135	C	C	.	.	S	Bend	trans	-77.9	-38.5	-176	-177.2	-94.5	0	0	0	113.2	E112 S114 S252 E253 L256 R892	E112-Y899 HydrophobicContact CB-CE2 4.45Å; E112-Y899 WeakPolarHBondContact CB-OH 3.4Å; E112-Y899 WeakPolarHBondContact O-CE1 3.29Å; E112-Y899 PolarHBondContact O-OH 3.29Å; E112-Y899 WeakPolarHBondContact OE2-CE2 3.24Å; E112-Y899 PolarHBondContact OE2-OH 3.35Å; E112-Y899 VanDerWaalsContact OE2-OH 3.09Å; S114-Y899 WeakPolarHBondContact CB-OH 3.24Å; S114-Y899 PolarHBondContact N-OH 2.96Å; S114-Y899 PolarHBondContact OG-OH 3.35Å; S114-Y899 VanDerWaalsContact OG-OH 3.06Å; S252-Y899 PolarHBondContact OG-N 2.8Å; E253-Y899 HydrophobicContact CB-CD2 3.92Å; E253-Y899 HydrophobicContact CB-CE2 3.9Å; E253-Y899 HydrophobicContact CB-CG 4.37Å; E253-Y899 HydrophobicContact CG-CD2 4.47Å; E253-Y899 HydrophobicContact CG-CE1 4.42Å; E253-Y899 HydrophobicContact CG-CE2 4.04Å; L256-Y899 HydrophobicContact CD1-CD1 3.89Å; L256-Y899 HydrophobicContact CD1-CG 4.24Å; R892-Y899 VanDerWaalsContact CD-O 3.23Å; R892-Y899 WeakPolarHBondContact CD-O 3.41Å; R892-Y899 VanDerWaalsContact NH1-CD2 3.3Å; R892-Y899 PolarHBondContact NH1-O 2.83Å
900	Q	82.6	Confident	87	Confident	80 Å²	80	28.6 Å²	28.6	37%	0.374	14%	0.135	S	C	.	.			trans	-99.7	110.5	176.8	-64.5	-169.7	-3	0	0	110.6	L256 E919	L256-Q900 HydrophobicContact CD1-CG 4.09Å; Q900-E919 HydrophobicContact CB-CB 4.15Å; Q900-E919 HydrophobicContact CB-CG 4.02Å; Q900-E919 PolarHBondContact O-N 2.95Å
901	V	86.8	Confident	87.2	Confident	6 Å²	6	26.6 Å²	26.6	4%	0.036	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	129.8	172.5	-178	0	0	0	0	108.2	L891 R892 T917 V918	L891-V901 HydrophobicContact CB-CB 4.41Å; L891-V901 HydrophobicContact CB-CG1 3.6Å; L891-V901 HydrophobicContact CB-CG2 4.18Å; L891-V901 HydrophobicContact CD1-CG1 3.65Å; L891-V901 HydrophobicContact CG-CG1 4.25Å; R892-V901 HydrophobicContact CB-CB 4.5Å; R892-V901 HydrophobicContact CB-CG2 4.03Å; V901-T917 WeakPolarHBondContact CA-O 3.39Å; V901-V918 HydrophobicContact CB-CG2 4.44Å; V901-V918 HydrophobicContact CG1-CG2 3.76Å; V901-V918 HydrophobicContact CG2-CB 4.48Å; V901-V918 HydrophobicContact CG2-CG1 4.11Å; V901-V918 HydrophobicContact CG2-CG2 4.1Å
902	Y	89.3	Confident	87.3	Confident	87 Å²	87	26.6 Å²	26.6	34%	0.341	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	144.3	179.6	50.7	-90	0	0	0	112.5	T917	Y902-T917 HydrophobicContact CE1-CG2 4.27Å; Y902-T917 HydrophobicContact CE2-CG2 4.11Å; Y902-T917 PolarHBondContact N-O 3.28Å; Y902-T917 PolarHBondContact O-N 2.93Å
903	P	93.9	Very high	87.7	Confident	11 Å²	11	25.8 Å²	25.8	7%	0.071	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	165.2	161	33	-29.5	0	0	0	110.1	V880 M883 E884 C887 S915 V916	V880-P903 HydrophobicContact CG1-CB 4.31Å; V880-P903 HydrophobicContact CG1-CG 4.32Å; M883-P903 HydrophobicContact CB-CB 4.39Å; M883-P903 HydrophobicContact CB-CG 4.45Å; M883-P903 HydrophobicContact CG-CB 3.97Å; M883-P903 HydrophobicContact CG-CG 4.33Å; M883-P903 HydrophobicContact SD-CB 3.83Å; E884-P903 HydrophobicContact CB-CG 4.35Å; C887-P903 HydrophobicContact CB-CG 4.3Å; P903-S915 CarbonylContact C-O 3.57Å; P903-S915 VanDerWaalsContact CA-O 3.3Å; P903-S915 WeakPolarHBondContact CA-O 3.23Å; P903-V916 HydrophobicContact CB-CG2 4.48Å
904	T	91.1	Very high	88.4	Confident	8 Å²	8	25.4 Å²	25.4	5%	0.049	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	132.4	176.4	-24.6	0	0	0	0	112	T141 R906 F914 S915	T141-T904 HydrophobicContact CG2-CG2 4.4Å; T904-R906 PolarHBondContact OG1-NH2 3.47Å; T904-R906 VanDerWaalsContact OG1-NH2 3.1Å; T904-F914 CarbonylContact O-C 3.59Å; T904-F914 VanDerWaalsContact O-CA 3.26Å; T904-F914 WeakPolarHBondContact O-CA 3.35Å; T904-S915 PolarHBondContact N-O 3.06Å; T904-S915 PolarHBondContact O-N 3.25Å; T904-S915 PolarHBondContact OG1-OG 3.49Å
905	F	91.4	Very high	89	Confident	30 Å²	30	21.1 Å²	21.1	13%	0.132	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	126.2	159.8	165.5	-92	0	0	0	109.2	H873 M876 V880 N907 L912	H873-F905 AromaticContact CE1-CE1 3.46Å; H873-F905 VanDerWaalsContact CE1-CE1 3.46Å; H873-F905 WeakPolarHBondContact CE1-CE1 3.27Å; H873-F905 AromaticContact CE1-CE2 3.91Å; H873-F905 AromaticContact CE1-CZ 3.2Å; H873-F905 WeakPolarHBondContact CE1-CZ 3.26Å; H873-F905 AromaticContact ND1-CE1 3.75Å; H873-F905 AromaticContact ND1-CE2 3.33Å; H873-F905 VanDerWaalsContact ND1-CE2 3.33Å; H873-F905 WeakPolarHBondContact ND1-CE2 2.98Å; H873-F905 AromaticContact ND1-CZ 2.98Å; H873-F905 WeakPolarHBondContact ND1-CZ 3.33Å; M876-F905 HydrophobicContact CB-CD2 4.02Å; M876-F905 HydrophobicContact CB-CE2 4.31Å; M876-F905 HydrophobicContact CG-CD2 3.83Å; M876-F905 HydrophobicContact CG-CE2 4.37Å; M876-F905 HydrophobicContact SD-CD2 3.62Å; M876-F905 HydrophobicContact SD-CE2 3.79Å; V880-F905 HydrophobicContact CG2-CB 4.16Å; F905-N907 HydrophobicContact CE1-CB 3.76Å; F905-N907 HydrophobicContact CZ-CB 3.8Å; F905-L912 HydrophobicContact CE2-CD1 4.43Å; F905-L912 HydrophobicContact CE2-CD2 3.82Å; F905-L912 HydrophobicContact CZ-CD2 3.57Å
906	R	91.6	Very high	89.5	Confident	23 Å²	23	18.2 Å²	18.2	9%	0.087	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	125.9	-178.9	-54.1	-69.8	-170.7	176.8	-7.3	110.1	E137 Y862 T904 L912 G913 S915 T917	E137-R906 VanDerWaalsContact CD-CD 3.46Å; E137-R906 VanDerWaalsContact OE1-CD 3.32Å; E137-R906 WeakPolarHBondContact OE1-CD 3.32Å; E137-R906 VanDerWaalsContact OE2-CD 3.25Å; E137-R906 WeakPolarHBondContact OE2-CD 3.32Å; E137-R906 IonicContact OE2-CZ 2.73Å; E137-R906 IonicContact OE2-NE 2.89Å; E137-R906 IonicContact OE2-NH1 2.66Å; E137-R906 PolarHBondContact OE2-NH1 3.47Å; Y862-R906 HydrophobicContact CD2-CB 4.48Å; Y862-R906 HydrophobicContact CD2-CG 4.24Å; Y862-R906 HydrophobicContact CE2-CB 3.97Å; Y862-R906 HydrophobicContact CE2-CG 4.24Å; T904-R906 PolarHBondContact OG1-NH2 3.47Å; T904-R906 VanDerWaalsContact OG1-NH2 3.1Å; R906-L912 WeakPolarHBondContact O-CA 3.22Å; R906-G913 WeakPolarHBondContact CA-O 3.41Å; R906-G913 WeakPolarHBondContact CB-O 3.49Å; R906-G913 PolarHBondContact N-O 3.02Å; R906-G913 PolarHBondContact O-N 2.98Å; R906-G913 VanDerWaalsContact O-O 3.05Å; R906-S915 PolarHBondContact NE-OG 3.43Å; R906-S915 PolarHBondContact NH2-OG 2.79Å; R906-T917 PolarHBondContact NH2-OG1 3.28Å
907	N	90.6	Very high	90	Very high	2 Å²	2	14.1 Å²	14.1	1%	0.011	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	88	171	178.9	29.4	0	0	0	109.8	D136 K868 F905 S909 G910 L912 Y980	D136-N907 HydrophobicContact CB-CB 4.16Å; D136-N907 VanDerWaalsContact CB-O 3.26Å; D136-N907 WeakPolarHBondContact CB-O 3.45Å; D136-N907 PolarHBondContact OD1-ND2 2.87Å; D136-N907 PolarHBondContact OD2-ND2 3.18Å; K868-N907 PolarHBondContact NZ-ND2 2.6Å; F905-N907 HydrophobicContact CE1-CB 3.76Å; F905-N907 HydrophobicContact CZ-CB 3.8Å; N907-S909 PolarHBondContact O-N 3.14Å; N907-G910 VanDerWaalsContact OD1-CA 3.28Å; N907-G910 WeakPolarHBondContact OD1-CA 3.42Å; N907-G910 PolarHBondContact OD1-N 2.79Å; N907-L912 HydrophobicContact CB-CD2 3.99Å; N907-Y980 PolarHBondContact ND2-OH 2.68Å
908	T	91.9	Very high	90.4	Very high	3 Å²	3	14 Å²	14	2%	0.018	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	106.7	177.8	-47.8	0	0	0	0	109.1	L757 L760 E761 V835 G910 V911	L757-T908 HydrophobicContact CD2-CG2 4.05Å; L760-T908 HydrophobicContact CB-CG2 4.18Å; L760-T908 HydrophobicContact CD1-CG2 4.43Å; E761-T908 HydrophobicContact CG-CG2 3.62Å; V835-T908 HydrophobicContact CG2-CG2 3.84Å; V835-T908 VanDerWaalsContact CG2-O 3.23Å; V835-T908 WeakPolarHBondContact CG2-O 3.46Å; T908-G910 PolarHBondContact O-N 3.3Å; T908-V911 PolarHBondContact N-O 3.04Å; T908-V911 PolarHBondContact O-N 3.42Å
909	S	88.9	Confident	91	Very high	16 Å²	16	14 Å²	14	11%	0.112	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.3	42.9	175.2	-77.3	0	0	0	0	114.3	E761 F833 N907	E761-S909 WeakPolarHBondContact OE1-CB 3.35Å; E761-S909 PolarHBondContact OE1-OG 3Å; F833-S909 PolarHBondContact N-OG 2.81Å; N907-S909 PolarHBondContact O-N 3.14Å
910	G	88.5	Confident	91.8	Very high	1 Å²	1	13.5 Å²	13.5	1%	0.01	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	82	8.5	179.5	0	0	0	0	0	116.1	K868 N907 T908	K868-G910 VanDerWaalsContact CB-O 3.28Å; K868-G910 WeakPolarHBondContact CB-O 3.38Å; K868-G910 PolarHBondContact N-O 2.84Å; N907-G910 VanDerWaalsContact OD1-CA 3.28Å; N907-G910 WeakPolarHBondContact OD1-CA 3.42Å; N907-G910 PolarHBondContact OD1-N 2.79Å; T908-G910 PolarHBondContact O-N 3.3Å
911	V	92.9	Very high	92.2	Very high	2 Å²	2	10.2 Å²	10.2	1%	0.012	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	128.5	168.1	173	0	0	0	0	109.3	V835 Q864 G866 L867 T908 H1084	V835-V911 HydrophobicContact CB-CB 4.03Å; V835-V911 HydrophobicContact CB-CG2 3.87Å; V835-V911 HydrophobicContact CG1-CB 4.07Å; V835-V911 HydrophobicContact CG1-CG1 4.1Å; V835-V911 HydrophobicContact CG1-CG2 4.32Å; V835-V911 HydrophobicContact CG2-CB 4.22Å; V835-V911 HydrophobicContact CG2-CG2 4.32Å; Q864-V911 HydrophobicContact CG-CG1 3.96Å; G866-V911 CarbonylContact O-C 3.54Å; G866-V911 WeakPolarHBondContact O-CA 3.35Å; L867-V911 HydrophobicContact CD2-CG2 4.14Å; T908-V911 PolarHBondContact N-O 3.04Å; T908-V911 PolarHBondContact O-N 3.42Å; V911-H1084 HydrophobicContact CG2-CB 3.86Å
912	L	93.3	Very high	92.3	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	148.5	-175.5	-55.1	-175.1	0	0	0	112.5	S865 G866 K868 E872 H873 M876 F905 R906 N907	S865-L912 PolarHBondContact N-O 3.38Å; G866-L912 PolarHBondContact N-O 3Å; G866-L912 PolarHBondContact O-N 3.34Å; K868-L912 HydrophobicContact CB-CD1 4.12Å; K868-L912 HydrophobicContact CB-CD2 3.84Å; K868-L912 HydrophobicContact CB-CG 3.78Å; K868-L912 HydrophobicContact CD-CD2 4.04Å; K868-L912 HydrophobicContact CG-CD1 4.12Å; K868-L912 HydrophobicContact CG-CD2 3.85Å; K868-L912 HydrophobicContact CG-CG 4.12Å; E872-L912 HydrophobicContact CB-CD1 3.84Å; H873-L912 HydrophobicContact CB-CD1 4.16Å; M876-L912 HydrophobicContact CE-CB 3.58Å; M876-L912 HydrophobicContact CE-CD1 4.43Å; M876-L912 HydrophobicContact SD-CB 4.1Å; F905-L912 HydrophobicContact CE2-CD1 4.43Å; F905-L912 HydrophobicContact CE2-CD2 3.82Å; F905-L912 HydrophobicContact CZ-CD2 3.57Å; R906-L912 WeakPolarHBondContact O-CA 3.22Å; N907-L912 HydrophobicContact CB-CD2 3.99Å
913	G	94	Very high	92.3	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.2	174.3	163.8	0	0	0	0	0	110.5	Y863 R906	Y863-G913 CarbonylContact O-C 3.57Å; Y863-G913 WeakPolarHBondContact O-CA 3.27Å; R906-G913 WeakPolarHBondContact CA-O 3.41Å; R906-G913 WeakPolarHBondContact CB-O 3.49Å; R906-G913 PolarHBondContact N-O 3.02Å; R906-G913 PolarHBondContact O-N 2.98Å; R906-G913 VanDerWaalsContact O-O 3.05Å
914	F	94.8	Very high	92.1	Very high	1 Å²	1	11.9 Å²	11.9	0%	0.004	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	159.5	173.2	70.4	-85.9	0	0	0	110.2	Y862 Y863 M876 M879 V880 M883 T904 L938 W1010 F1011 H1014	Y862-F914 WeakPolarHBondContact CA-O 3.26Å; Y862-F914 WeakPolarHBondContact CD2-O 3.17Å; Y863-F914 HydrophobicContact CD1-CZ 4.48Å; Y863-F914 AromaticContact CD2-CD2 3.99Å; Y863-F914 HydrophobicContact CD2-CD2 3.99Å; Y863-F914 HydrophobicContact CD2-CE1 4.24Å; Y863-F914 AromaticContact CD2-CE2 3.43Å; Y863-F914 HydrophobicContact CD2-CE2 3.43Å; Y863-F914 VanDerWaalsContact CD2-CE2 3.43Å; Y863-F914 AromaticContact CD2-CZ 3.57Å; Y863-F914 HydrophobicContact CD2-CZ 3.57Å; Y863-F914 AromaticContact CE2-CE2 3.96Å; Y863-F914 HydrophobicContact CE2-CE2 3.96Å; Y863-F914 HydrophobicContact CE2-CZ 4.28Å; Y863-F914 HydrophobicContact CG-CE1 4.07Å; Y863-F914 HydrophobicContact CG-CE2 4.06Å; Y863-F914 AromaticContact CG-CZ 3.7Å; Y863-F914 HydrophobicContact CG-CZ 3.7Å; Y863-F914 PolarHBondContact N-O 3.49Å; Y863-F914 PolarHBondContact O-N 3.28Å; Y863-F914 VanDerWaalsContact O-N 3.13Å; M876-F914 HydrophobicContact CG-CB 4.37Å; M876-F914 HydrophobicContact SD-CB 4.37Å; M879-F914 HydrophobicContact CE-CB 3.82Å; M879-F914 HydrophobicContact CE-CD1 3.69Å; M879-F914 HydrophobicContact CE-CD2 3.83Å; M879-F914 HydrophobicContact CE-CE1 4.15Å; M879-F914 HydrophobicContact CE-CE2 4.28Å; M879-F914 HydrophobicContact CE-CG 3.5Å; M879-F914 HydrophobicContact CE-CZ 4.43Å; M879-F914 HydrophobicContact SD-CD1 4.46Å; M879-F914 HydrophobicContact SD-CE1 4.46Å; V880-F914 HydrophobicContact CG2-CB 4.32Å; M883-F914 HydrophobicContact CE-CD2 4.22Å; M883-F914 HydrophobicContact CE-CE2 4.05Å; M883-F914 HydrophobicContact SD-CD2 4.41Å; T904-F914 CarbonylContact O-C 3.59Å; T904-F914 VanDerWaalsContact O-CA 3.26Å; T904-F914 WeakPolarHBondContact O-CA 3.35Å; F914-L938 HydrophobicContact CE2-CD2 4.24Å; F914-W1010 HydrophobicContact CD1-CH2 4.04Å; F914-W1010 HydrophobicContact CD1-CZ3 4.16Å; F914-W1010 HydrophobicContact CE1-CH2 4.19Å; F914-W1010 HydrophobicContact CE1-CZ3 4.02Å; F914-F1011 HydrophobicContact CE2-CE2 4.43Å; F914-F1011 HydrophobicContact CZ-CD2 4.39Å; F914-F1011 HydrophobicContact CZ-CE2 4.12Å; F914-H1014 HydrophobicContact CE1-CB 4.21Å
915	S	95.4	Very high	92.1	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	161.6	171.4	59.1	0	0	0	0	112.2	V861 P903 T904 R906	V861-S915 CarbonylContact O-C 3.46Å; V861-S915 WeakPolarHBondContact O-CA 3.48Å; V861-S915 WeakPolarHBondContact O-CB 3.29Å; P903-S915 CarbonylContact C-O 3.57Å; P903-S915 VanDerWaalsContact CA-O 3.3Å; P903-S915 WeakPolarHBondContact CA-O 3.23Å; T904-S915 PolarHBondContact N-O 3.06Å; T904-S915 PolarHBondContact O-N 3.25Å; T904-S915 PolarHBondContact OG1-OG 3.49Å; R906-S915 PolarHBondContact NE-OG 3.43Å; R906-S915 PolarHBondContact NH2-OG 2.79Å
916	V	96.5	Very high	92.2	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	134.2	156.4	177	0	0	0	0	107.3	V861 M883 L891 P903 I934 F937 L938	V861-V916 PolarHBondContact N-O 3.09Å; V861-V916 PolarHBondContact O-N 2.88Å; V861-V916 VanDerWaalsContact O-N 3.09Å; M883-V916 HydrophobicContact SD-CG2 4.08Å; L891-V916 HydrophobicContact CD1-CG1 3.89Å; P903-V916 HydrophobicContact CB-CG2 4.48Å; V916-I934 HydrophobicContact CB-CG2 3.73Å; V916-I934 HydrophobicContact CG1-CD1 4.35Å; V916-I934 HydrophobicContact CG1-CG1 4.02Å; V916-I934 HydrophobicContact CG1-CG2 3.9Å; V916-I934 HydrophobicContact CG2-CG2 4.37Å; V916-F937 HydrophobicContact CG2-CE1 4.29Å; V916-L938 HydrophobicContact CG2-CD2 4.16Å
917	T	95.9	Very high	92.3	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	133.8	-179	-63.2	0	0	0	0	109.2	E858 V859 T860 V901 Y902 R906	E858-T917 HydrophobicContact CG-CG2 4.09Å; V859-T917 WeakPolarHBondContact O-CA 3.39Å; T860-T917 WeakPolarHBondContact OG1-CB 3.48Å; T860-T917 VanDerWaalsContact OG1-CG2 3.25Å; T860-T917 WeakPolarHBondContact OG1-CG2 3.47Å; T860-T917 PolarHBondContact OG1-OG1 3.42Å; V901-T917 WeakPolarHBondContact CA-O 3.39Å; Y902-T917 HydrophobicContact CE1-CG2 4.27Å; Y902-T917 HydrophobicContact CE2-CG2 4.11Å; Y902-T917 PolarHBondContact N-O 3.28Å; Y902-T917 PolarHBondContact O-N 2.93Å; R906-T917 PolarHBondContact NH2-OG1 3.28Å
918	V	95	Very high	92.4	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	125.7	175.2	173.9	0	0	0	0	108.9	V859 L891 L897 V901 V930 I934	V859-V918 PolarHBondContact N-O 2.89Å; V859-V918 PolarHBondContact O-N 3.46Å; L891-V918 HydrophobicContact CD1-CG2 4.02Å; L897-V918 HydrophobicContact CB-CG1 4.07Å; V901-V918 HydrophobicContact CB-CG2 4.44Å; V901-V918 HydrophobicContact CG1-CG2 3.76Å; V901-V918 HydrophobicContact CG2-CB 4.48Å; V901-V918 HydrophobicContact CG2-CG1 4.11Å; V901-V918 HydrophobicContact CG2-CG2 4.1Å; V918-V930 HydrophobicContact CB-CG1 3.58Å; V918-V930 HydrophobicContact CG1-CG1 3.52Å; V918-V930 HydrophobicContact CG2-CG1 4.09Å; V918-I934 HydrophobicContact CB-CD1 4.27Å; V918-I934 HydrophobicContact CG2-CD1 3.77Å; V918-I934 HydrophobicContact CG2-CG1 3.87Å
919	E	92.1	Very high	92.5	Very high	11 Å²	11	16.6 Å²	16.6	5%	0.051	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	129.8	165.2	-56	-148.7	153.8	0	0	110.1	H748 S857 G898 Q900	H748-E919 IonicContact CD2-OE1 3.72Å; H748-E919 PolarHBondContact CD2-OE1 3.19Å; H748-E919 VanDerWaalsContact CD2-OE1 3.24Å; H748-E919 IonicContact CD2-OE2 3.47Å; H748-E919 IonicContact CE1-OE2 3.7Å; H748-E919 IonicContact NE2-OE1 2.66Å; H748-E919 PolarHBondContact NE2-OE1 3.23Å; H748-E919 IonicContact NE2-OE2 2.77Å; H748-E919 PolarHBondContact NE2-OE2 3.05Å; S857-E919 CarbonylContact O-C 3.59Å; S857-E919 WeakPolarHBondContact O-CA 3.4Å; G898-E919 WeakPolarHBondContact CA-O 2.97Å; Q900-E919 HydrophobicContact CB-CB 4.15Å; Q900-E919 HydrophobicContact CB-CG 4.02Å; Q900-E919 PolarHBondContact O-N 2.95Å
920	T	92.2	Very high	92.8	Very high	3 Å²	3	15.8 Å²	15.8	2%	0.018	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	164.5	-173.2	-164.8	0	0	0	0	111.9	N856 S857 L897 V930	N856-T920 CarbonylContact C-O 3.56Å; N856-T920 WeakPolarHBondContact CA-O 3.03Å; S857-T920 PolarHBondContact N-O 2.96Å; S857-T920 PolarHBondContact O-N 3.47Å; L897-T920 VanDerWaalsContact O-CB 3.3Å; L897-T920 WeakPolarHBondContact O-CB 3.18Å; L897-T920 PolarHBondContact O-OG1 3.29Å; T920-V930 HydrophobicContact CG2-CG2 3.9Å
921	Q	89.4	Confident	93.1	Very high	11 Å²	11	15.8 Å²	15.8	5%	0.051	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	121.8	178.8	-60	174.9	12.9	0	0	110.7	T923 K924 F925	Q921-T923 PolarHBondContact O-N 3.24Å; Q921-K924 HydrophobicContact CB-CB 4.44Å; Q921-K924 HydrophobicContact CB-CG 4.39Å; Q921-K924 PolarHBondContact O-N 2.94Å; Q921-F925 PolarHBondContact O-N 3.4Å
922	A	90.3	Very high	93.1	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-6.2	175.8	0	0	0	0	0	114.2	P855 F925 G1030 V1031 E1032 E1033	P855-A922 VanDerWaalsContact O-CB 3.31Å; P855-A922 WeakPolarHBondContact O-CB 3.21Å; P855-A922 PolarHBondContact O-N 3.36Å; A922-F925 WeakPolarHBondContact CA-O 3.5Å; A922-G1030 CarbonylContact O-C 3.58Å; A922-G1030 VanDerWaalsContact O-C 3.25Å; A922-G1030 VanDerWaalsContact O-CA 3.27Å; A922-G1030 WeakPolarHBondContact O-CA 3.28Å; A922-V1031 PolarHBondContact O-N 2.98Å; A922-E1032 WeakPolarHBondContact O-CB 3.32Å; A922-E1032 PolarHBondContact O-N 3.46Å; A922-E1032 VanDerWaalsContact O-N 3.14Å; A922-E1033 HydrophobicContact CB-CG 4.1Å
923	T	88.5	Confident	93.2	Very high	67 Å²	67	21.2 Å²	21.2	41%	0.411	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-22.1	172.2	49.8	0	0	0	0	113.7	P855 Q921	P855-T923 HydrophobicContact CB-CG2 3.95Å; Q921-T923 PolarHBondContact O-N 3.24Å
924	K	88.8	Confident	93.3	Very high	72 Å²	72	21.2 Å²	21.2	31%	0.313	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	-40.5	178	-63.2	-168	-175.4	-173.1	0	111.7	E248 D251 Q921	E248-K924 IonicContact OE2-NZ 2.68Å; E248-K924 PolarHBondContact OE2-NZ 2.81Å; D251-K924 IonicContact OD2-NZ 3.64Å; D251-K924 PolarHBondContact OD2-NZ 3.2Å; Q921-K924 HydrophobicContact CB-CB 4.44Å; Q921-K924 HydrophobicContact CB-CG 4.39Å; Q921-K924 PolarHBondContact O-N 2.94Å
925	F	91.9	Very high	93.3	Very high	46 Å²	46	23 Å²	23	20%	0.202	12%	0.115	C	C	.	.			trans	-139.5	160	-176.3	-53.1	-77.3	0	0	0	112.7	M896 L897 Q921 A922 L929 V930	M896-F925 WeakPolarHBondContact O-CE2 3.3Å; M896-F925 WeakPolarHBondContact O-CZ 3.2Å; L897-F925 HydrophobicContact CD2-CD1 4.21Å; L897-F925 HydrophobicContact CD2-CE1 4.13Å; L897-F925 HydrophobicContact CD2-CE2 4.47Å; L897-F925 HydrophobicContact CD2-CG 4.39Å; L897-F925 HydrophobicContact CD2-CZ 4.26Å; Q921-F925 PolarHBondContact O-N 3.4Å; A922-F925 WeakPolarHBondContact CA-O 3.5Å; F925-L929 HydrophobicContact CD1-CD2 4.04Å; F925-V930 HydrophobicContact CB-CG2 4.25Å
926	S	93.4	Very high	93.2	Very high	26 Å²	26	26 Å²	26	18%	0.182	13%	0.131	C	C	.	.			trans	-95.9	146.3	169.1	64	0	0	0	0	111	E928 L929 V930	S926-E928 PolarHBondContact O-N 3.4Å; S926-E928 VanDerWaalsContact O-N 3.16Å; S926-L929 WeakPolarHBondContact O-CB 3.4Å; S926-L929 PolarHBondContact O-N 3Å; S926-L929 PolarHBondContact OG-N 3.4Å; S926-V930 PolarHBondContact O-N 3.21Å; S926-V930 VanDerWaalsContact O-N 3.13Å
927	S	94.1	Very high	93.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-60.5	-25.1	178.1	58.3	0	0	0	0	113.3	R846 E931 H1025 E1033	R846-S927 PolarHBondContact NH2-OG 3.21Å; S927-E931 PolarHBondContact O-N 3Å; S927-E931 VanDerWaalsContact O-N 3.15Å; S927-H1025 PolarHBondContact O-CE1 2.81Å; S927-E1033 WeakPolarHBondContact CB-OE1 3.33Å; S927-E1033 PolarHBondContact N-OE1 3.3Å; S927-E1033 PolarHBondContact OG-OE1 2.89Å
928	E	92.9	Very high	93.1	Very high	19 Å²	19	26.2 Å²	26.2	9%	0.089	13%	0.132	C	C	.	.	H	α-helix	trans	-76.1	-28.6	175.1	-57.1	-168	155.4	0	0	112.9	R846 S926 Q932 A1060 A1061 A1062 L1065	R846-E928 IonicContact CZ-OE1 3.46Å; R846-E928 IonicContact NE-OE1 3.56Å; R846-E928 IonicContact NH1-OE1 3.7Å; R846-E928 PolarHBondContact NH1-OE1 2.92Å; S926-E928 PolarHBondContact O-N 3.4Å; S926-E928 VanDerWaalsContact O-N 3.16Å; E928-Q932 PolarHBondContact O-N 2.74Å; E928-A1060 VanDerWaalsContact OE1-CA 3.26Å; E928-A1060 WeakPolarHBondContact OE1-CA 3.38Å; E928-A1061 PolarHBondContact OE1-N 3.35Å; E928-A1061 WeakPolarHBondContact OE2-CB 3.47Å; E928-A1061 PolarHBondContact OE2-N 2.92Å; E928-A1062 HydrophobicContact CB-CB 4.08Å; E928-A1062 WeakPolarHBondContact OE2-CB 3.37Å; E928-A1062 PolarHBondContact OE2-N 3.32Å; E928-L1065 HydrophobicContact CB-CD1 3.67Å; E928-L1065 HydrophobicContact CG-CD1 3.71Å
929	L	93.8	Very high	93.1	Very high	73 Å²	73	30.9 Å²	30.9	38%	0.382	16%	0.16	S	C	.	.	H	α-helix	trans	-73.2	-41.2	171.6	174.8	62.9	0	0	0	110.8	F925 S926 Q932 K933	F925-L929 HydrophobicContact CD1-CD2 4.04Å; S926-L929 WeakPolarHBondContact O-CB 3.4Å; S926-L929 PolarHBondContact O-N 3Å; S926-L929 PolarHBondContact OG-N 3.4Å; L929-Q932 WeakPolarHBondContact O-CB 3Å; L929-Q932 PolarHBondContact O-N 2.91Å; L929-Q932 VanDerWaalsContact O-N 3.14Å; L929-K933 PolarHBondContact O-N 3.32Å
930	V	94.9	Very high	93.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-63.9	-42.3	178	172.6	0	0	0	0	111.6	V859 L897 V918 T920 F925 S926 Q932 K933 I934	V859-V930 HydrophobicContact CB-CG1 3.89Å; V859-V930 HydrophobicContact CG1-CG1 4.17Å; V859-V930 HydrophobicContact CG2-CB 4.19Å; V859-V930 HydrophobicContact CG2-CG1 4.05Å; L897-V930 HydrophobicContact CD2-CG2 4.43Å; V918-V930 HydrophobicContact CB-CG1 3.58Å; V918-V930 HydrophobicContact CG1-CG1 3.52Å; V918-V930 HydrophobicContact CG2-CG1 4.09Å; T920-V930 HydrophobicContact CG2-CG2 3.9Å; F925-V930 HydrophobicContact CB-CG2 4.25Å; S926-V930 PolarHBondContact O-N 3.21Å; S926-V930 VanDerWaalsContact O-N 3.13Å; V930-Q932 VanDerWaalsContact C-N 3.28Å; V930-Q932 PolarHBondContact O-N 2.85Å; V930-K933 PolarHBondContact O-N 3.06Å; V930-K933 VanDerWaalsContact O-N 3.12Å; V930-I934 HydrophobicContact CG1-CD1 4.12Å; V930-I934 WeakPolarHBondContact O-CG1 3.28Å; V930-I934 PolarHBondContact O-N 3.26Å
931	E	94.8	Very high	93.3	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-59.1	-39.1	172.1	177.2	173.1	-164.1	0	0	112.2	H842 V859 V861 S927 K933 I934 E935 K1021 S1023 H1025 L1065	H842-E931 IonicContact CE1-OE1 3.86Å; H842-E931 PolarHBondContact CE1-OE1 2.95Å; H842-E931 IonicContact NE2-OE1 2.76Å; H842-E931 PolarHBondContact NE2-OE1 3.2Å; V859-E931 HydrophobicContact CG1-CB 4.12Å; V861-E931 HydrophobicContact CG2-CG 4.08Å; S927-E931 PolarHBondContact O-N 3Å; S927-E931 VanDerWaalsContact O-N 3.15Å; E931-K933 VanDerWaalsContact C-N 3.34Å; E931-K933 PolarHBondContact O-N 3.42Å; E931-I934 PolarHBondContact O-N 2.77Å; E931-E935 PolarHBondContact O-N 3.26Å; E931-E935 VanDerWaalsContact O-N 3.1Å; E931-K1021 WeakPolarHBondContact OE1-CE 3.15Å; E931-K1021 IonicContact OE1-NZ 2.71Å; E931-K1021 PolarHBondContact OE1-NZ 3.37Å; E931-S1023 WeakPolarHBondContact OE1-CB 3.43Å; E931-S1023 PolarHBondContact OE1-OG 3.44Å; E931-H1025 IonicContact OE2-CE1 2.77Å; E931-H1025 PolarHBondContact OE2-CE1 3.24Å; E931-H1025 IonicContact OE2-NE2 2.75Å; E931-H1025 PolarHBondContact OE2-NE2 2.9Å; E931-H1025 VanDerWaalsContact OE2-NE2 3.12Å; E931-L1065 HydrophobicContact CG-CD2 4.21Å; E931-L1065 WeakPolarHBondContact OE2-CD1 3.39Å; E931-L1065 WeakPolarHBondContact OE2-CD2 3.47Å
932	Q	94.2	Very high	93.4	Very high	74 Å²	74	32.7 Å²	32.7	35%	0.346	18%	0.176	S	C	.	.	H	α-helix	trans	-63.8	-40.1	176	-177.7	62.2	61	0	0	111.5	E928 L929 V930 E935 D936	E928-Q932 PolarHBondContact O-N 2.74Å; L929-Q932 WeakPolarHBondContact O-CB 3Å; L929-Q932 PolarHBondContact O-N 2.91Å; L929-Q932 VanDerWaalsContact O-N 3.14Å; V930-Q932 VanDerWaalsContact C-N 3.28Å; V930-Q932 PolarHBondContact O-N 2.85Å; Q932-E935 PolarHBondContact O-N 2.76Å; Q932-D936 PolarHBondContact NE2-OD1 2.81Å; Q932-D936 PolarHBondContact O-N 3.09Å
933	K	95.3	Very high	93.5	Very high	41 Å²	41	34.5 Å²	34.5	18%	0.178	20%	0.195	C	C	.	.	H	α-helix	trans	-67.8	-37.5	177.4	-70.2	-69.6	-178.7	173.8	0	113	L891 E895 L897 L929 V930 E931 E935 D936 F937	L891-K933 HydrophobicContact CD2-CB 3.95Å; E895-K933 HydrophobicContact CG-CD 4.28Å; E895-K933 IonicContact OE1-NZ 3.22Å; E895-K933 PolarHBondContact OE1-NZ 2.86Å; E895-K933 WeakPolarHBondContact OE2-CE 3.2Å; E895-K933 IonicContact OE2-NZ 3.12Å; E895-K933 PolarHBondContact OE2-NZ 3.07Å; L897-K933 HydrophobicContact CD1-CB 3.61Å; L897-K933 HydrophobicContact CD1-CG 4.02Å; L897-K933 HydrophobicContact CD2-CG 4.37Å; L929-K933 PolarHBondContact O-N 3.32Å; V930-K933 PolarHBondContact O-N 3.06Å; V930-K933 VanDerWaalsContact O-N 3.12Å; E931-K933 VanDerWaalsContact C-N 3.34Å; E931-K933 PolarHBondContact O-N 3.42Å; K933-E935 VanDerWaalsContact C-N 3.3Å; K933-E935 PolarHBondContact O-N 2.66Å; K933-D936 PolarHBondContact O-N 3.21Å; K933-F937 WeakPolarHBondContact O-CB 3.47Å; K933-F937 PolarHBondContact O-N 2.89Å
934	I	95.5	Very high	93.6	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-60.3	-40.3	171.3	-68.3	167.5	0	0	0	110.9	V859 V861 L891 V916 V918 V930 E931 L938	V859-I934 HydrophobicContact CG1-CD1 3.95Å; V861-I934 HydrophobicContact CB-CG2 4.04Å; V861-I934 HydrophobicContact CG2-CB 4.35Å; V861-I934 HydrophobicContact CG2-CD1 3.87Å; V861-I934 HydrophobicContact CG2-CG2 3.91Å; L891-I934 HydrophobicContact CD1-CG1 4.21Å; V916-I934 HydrophobicContact CB-CG2 3.73Å; V916-I934 HydrophobicContact CG1-CD1 4.35Å; V916-I934 HydrophobicContact CG1-CG1 4.02Å; V916-I934 HydrophobicContact CG1-CG2 3.9Å; V916-I934 HydrophobicContact CG2-CG2 4.37Å; V918-I934 HydrophobicContact CB-CD1 4.27Å; V918-I934 HydrophobicContact CG2-CD1 3.77Å; V918-I934 HydrophobicContact CG2-CG1 3.87Å; V930-I934 HydrophobicContact CG1-CD1 4.12Å; V930-I934 WeakPolarHBondContact O-CG1 3.28Å; V930-I934 PolarHBondContact O-N 3.26Å; E931-I934 PolarHBondContact O-N 2.77Å; I934-L938 HydrophobicContact CG2-CD1 4.05Å; I934-L938 VanDerWaalsContact O-CG 3.28Å; I934-L938 WeakPolarHBondContact O-CG 3.11Å; I934-L938 PolarHBondContact O-N 2.7Å
935	E	93.6	Very high	93.7	Very high	38 Å²	38	31.9 Å²	31.9	18%	0.178	18%	0.176	C	C	.	.	H	α-helix	trans	-71.2	-39.3	175.6	-74.1	-78.6	-158.6	0	0	113	Y863 E931 Q932 K933 F937 L938 V939 H1015 K1021	Y863-E935 VanDerWaalsContact OH-CD 3.32Å; Y863-E935 PolarHBondContact OH-OE1 2.96Å; Y863-E935 PolarHBondContact OH-OE2 3.13Å; E931-E935 PolarHBondContact O-N 3.26Å; E931-E935 VanDerWaalsContact O-N 3.1Å; Q932-E935 PolarHBondContact O-N 2.76Å; K933-E935 VanDerWaalsContact C-N 3.3Å; K933-E935 PolarHBondContact O-N 2.66Å; E935-F937 VanDerWaalsContact C-N 3.32Å; E935-F937 PolarHBondContact O-N 3.45Å; E935-L938 PolarHBondContact O-N 3Å; E935-V939 WeakPolarHBondContact O-CG2 3.45Å; E935-V939 PolarHBondContact O-N 2.92Å; E935-H1015 IonicContact OE2-CD2 2.64Å; E935-H1015 IonicContact OE2-CE1 2.94Å; E935-H1015 IonicContact OE2-NE2 2.9Å; E935-H1015 PolarHBondContact OE2-NE2 3.2Å; E935-K1021 WeakPolarHBondContact OE1-CD 3.2Å; E935-K1021 WeakPolarHBondContact OE1-CE 3.32Å; E935-K1021 IonicContact OE1-NZ 2.76Å; E935-K1021 PolarHBondContact OE1-NZ 2.84Å
936	D	95.1	Very high	93.6	Very high	65 Å²	65	32.1 Å²	32.1	35%	0.348	19%	0.187	S	C	.	.	H	α-helix	trans	-61.4	-42.2	174.3	-65	-18	0	0	0	110.5	F890 Q932 K933 V939 S940	F890-D936 HydrophobicContact CZ-CB 4.44Å; Q932-D936 PolarHBondContact NE2-OD1 2.81Å; Q932-D936 PolarHBondContact O-N 3.09Å; K933-D936 PolarHBondContact O-N 3.21Å; D936-V939 PolarHBondContact O-N 2.98Å; D936-S940 PolarHBondContact O-N 2.92Å
937	F	95.6	Very high	93.5	Very high	3 Å²	3	35.5 Å²	35.5	1%	0.013	21%	0.21	C	C	.	.	H	α-helix	trans	-58.2	-53.4	170.7	165.5	-113.6	0	0	0	111.7	M883 P886 C887 F890 L891 V916 K933 E935 V939 S940 F941	M883-F937 HydrophobicContact CG-CE1 3.93Å; M883-F937 HydrophobicContact CG-CZ 3.87Å; M883-F937 HydrophobicContact SD-CE1 4.4Å; P886-F937 VanDerWaalsContact C-CE2 3.47Å; P886-F937 HydrophobicContact CB-CE2 3.87Å; P886-F937 HydrophobicContact CB-CZ 4.32Å; P886-F937 WeakPolarHBondContact O-CE2 3.26Å; C887-F937 HydrophobicContact CB-CE1 3.85Å; C887-F937 HydrophobicContact CB-CE2 4.28Å; C887-F937 HydrophobicContact CB-CZ 3.61Å; F890-F937 HydrophobicContact CB-CD2 3.81Å; F890-F937 HydrophobicContact CB-CE2 4.5Å; F890-F937 HydrophobicContact CD1-CB 3.65Å; F890-F937 HydrophobicContact CD1-CD2 4.3Å; F890-F937 HydrophobicContact CD1-CG 4.38Å; F890-F937 HydrophobicContact CE1-CB 3.92Å; F890-F937 HydrophobicContact CG-CB 4.17Å; F890-F937 AromaticContact CG-CD2 3.97Å; F890-F937 HydrophobicContact CG-CD2 3.97Å; F890-F937 HydrophobicContact CG-CG 4.5Å; L891-F937 HydrophobicContact CD1-CB 4.46Å; L891-F937 HydrophobicContact CD1-CD1 4.28Å; L891-F937 HydrophobicContact CD1-CG 4.39Å; L891-F937 HydrophobicContact CD2-CB 4.22Å; L891-F937 HydrophobicContact CG-CB 4.4Å; V916-F937 HydrophobicContact CG2-CE1 4.29Å; K933-F937 WeakPolarHBondContact O-CB 3.47Å; K933-F937 PolarHBondContact O-N 2.89Å; E935-F937 VanDerWaalsContact C-N 3.32Å; E935-F937 PolarHBondContact O-N 3.45Å; F937-V939 PolarHBondContact O-N 3.03Å; F937-S940 CarbonylContact O-C 3.59Å; F937-S940 WeakPolarHBondContact O-CA 3.38Å; F937-S940 VanDerWaalsContact O-CB 3.29Å; F937-S940 WeakPolarHBondContact O-CB 3.42Å; F937-S940 PolarHBondContact O-N 2.93Å; F937-F941 HydrophobicContact CE2-CB 4.04Å; F937-F941 HydrophobicContact CZ-CB 4.06Å; F937-F941 HydrophobicContact CZ-CD2 4.43Å; F937-F941 HydrophobicContact CZ-CG 4.32Å; F937-F941 WeakPolarHBondContact O-CB 3.23Å; F937-F941 PolarHBondContact O-N 2.87Å
938	L	94.9	Very high	93.3	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-62.7	-30.8	-177.3	-72.6	168.1	0	0	0	112.8	Y863 M883 F914 V916 I934 E935 G942 F1011	Y863-L938 HydrophobicContact CE2-CD1 3.57Å; Y863-L938 VanDerWaalsContact OH-CD1 3.24Å; Y863-L938 WeakPolarHBondContact OH-CD1 3.25Å; M883-L938 HydrophobicContact CE-CD2 3.86Å; M883-L938 HydrophobicContact SD-CD2 4.02Å; F914-L938 HydrophobicContact CE2-CD2 4.24Å; V916-L938 HydrophobicContact CG2-CD2 4.16Å; I934-L938 HydrophobicContact CG2-CD1 4.05Å; I934-L938 VanDerWaalsContact O-CG 3.28Å; I934-L938 WeakPolarHBondContact O-CG 3.11Å; I934-L938 PolarHBondContact O-N 2.7Å; E935-L938 PolarHBondContact O-N 3Å; L938-G942 PolarHBondContact O-N 3.36Å; L938-F1011 HydrophobicContact CB-CZ 4.39Å; L938-F1011 HydrophobicContact CD2-CE2 4.14Å; L938-F1011 HydrophobicContact CD2-CZ 4.16Å; L938-F1011 WeakPolarHBondContact O-CZ 3.33Å
939	V	93.9	Very high	93.2	Very high	98 Å²	98	38.9 Å²	38.9	59%	0.594	23%	0.233	S	C	*	.	H	α-helix	trans	-67.2	-44.1	169.6	172.1	0	0	0	0	111.4	E935 D936 F937 G942 G943	E935-V939 WeakPolarHBondContact O-CG2 3.45Å; E935-V939 PolarHBondContact O-N 2.92Å; D936-V939 PolarHBondContact O-N 2.98Å; F937-V939 PolarHBondContact O-N 3.03Å; V939-G942 PolarHBondContact O-N 2.86Å; V939-G943 PolarHBondContact O-N 3.04Å
940	S	93.7	Very high	93	Very high	47 Å²	47	39.9 Å²	39.9	33%	0.329	24%	0.235	S	C	.	.	H	α-helix	trans	-61	-48.5	175.5	-169.6	0	0	0	0	111.7	D936 F937 G942 G943 R944	D936-S940 PolarHBondContact O-N 2.92Å; F937-S940 CarbonylContact O-C 3.59Å; F937-S940 WeakPolarHBondContact O-CA 3.38Å; F937-S940 VanDerWaalsContact O-CB 3.29Å; F937-S940 WeakPolarHBondContact O-CB 3.42Å; F937-S940 PolarHBondContact O-N 2.93Å; S940-G942 VanDerWaalsContact C-N 3.35Å; S940-G942 PolarHBondContact O-N 2.67Å; S940-G943 CarbonylContact O-C 3.58Å; S940-G943 VanDerWaalsContact O-CA 3.26Å; S940-G943 WeakPolarHBondContact O-CA 3.3Å; S940-G943 PolarHBondContact O-N 2.85Å; S940-R944 PolarHBondContact O-N 2.93Å
941	F	94.1	Very high	92.7	Very high	6 Å²	6	47.9 Å²	47.9	3%	0.026	27%	0.273	C	S	.	.	H	α-helix	trans	-58.8	-42.3	176.4	-179.2	-107.3	0	0	0	112.1	M879 L882 M883 P886 F937 G943 R944 L945 F1011	M879-F941 HydrophobicContact CG-CE1 4.48Å; L882-F941 HydrophobicContact CB-CZ 4.3Å; L882-F941 VanDerWaalsContact O-CE2 3.28Å; L882-F941 WeakPolarHBondContact O-CE2 3.39Å; M883-F941 HydrophobicContact CB-CE1 4.05Å; M883-F941 HydrophobicContact CB-CE2 4.02Å; M883-F941 HydrophobicContact CB-CZ 3.7Å; M883-F941 HydrophobicContact CE-CD1 3.7Å; M883-F941 HydrophobicContact CE-CE1 3.49Å; M883-F941 VanDerWaalsContact CE-CE1 3.49Å; M883-F941 HydrophobicContact CE-CZ 4.31Å; M883-F941 HydrophobicContact CG-CD1 4.35Å; M883-F941 HydrophobicContact CG-CE1 4.21Å; M883-F941 HydrophobicContact CG-CE2 4.43Å; M883-F941 HydrophobicContact CG-CG 4.5Å; M883-F941 HydrophobicContact CG-CZ 4.25Å; P886-F941 HydrophobicContact CB-CD2 4.38Å; P886-F941 HydrophobicContact CG-CD2 4.45Å; F937-F941 HydrophobicContact CE2-CB 4.04Å; F937-F941 HydrophobicContact CZ-CB 4.06Å; F937-F941 HydrophobicContact CZ-CD2 4.43Å; F937-F941 HydrophobicContact CZ-CG 4.32Å; F937-F941 WeakPolarHBondContact O-CB 3.23Å; F937-F941 PolarHBondContact O-N 2.87Å; F941-G943 PolarHBondContact O-N 2.55Å; F941-R944 PolarHBondContact O-N 2.82Å; F941-L945 HydrophobicContact CE1-CD2 4.23Å; F941-L945 HydrophobicContact CZ-CD1 4.24Å; F941-L945 VanDerWaalsContact O-CB 3.22Å; F941-L945 WeakPolarHBondContact O-CB 3.44Å; F941-L945 PolarHBondContact O-N 3.21Å; F941-F1011 HydrophobicContact CD1-CD2 4.44Å; F941-F1011 HydrophobicContact CD1-CE1 4.31Å; F941-F1011 AromaticContact CD1-CE2 3.91Å; F941-F1011 HydrophobicContact CD1-CE2 3.91Å; F941-F1011 AromaticContact CD1-CZ 3.84Å; F941-F1011 HydrophobicContact CD1-CZ 3.84Å; F941-F1011 HydrophobicContact CE1-CD2 4.36Å; F941-F1011 HydrophobicContact CE1-CE2 4.22Å
942	G	92.6	Very high	92.3	Very high	10 Å²	10	49.8 Å²	49.8	10%	0.103	29%	0.286	C	S	.	.	H	α-helix	trans	-59.3	-29.9	172.1	0	0	0	0	0	113.8	L938 V939 S940 A946 F1011	L938-G942 PolarHBondContact O-N 3.36Å; V939-G942 PolarHBondContact O-N 2.86Å; S940-G942 VanDerWaalsContact C-N 3.35Å; S940-G942 PolarHBondContact O-N 2.67Å; G942-A946 WeakPolarHBondContact O-CB 3.12Å; G942-A946 PolarHBondContact O-N 2.78Å; G942-F1011 VanDerWaalsContact CA-CE1 3.48Å
943	G	92.1	Very high	92.1	Very high	39 Å²	39	46.7 Å²	46.7	40%	0.402	27%	0.271	S	S	.	.	H	α-helix	trans	-69.9	-56.8	168.8	0	0	0	0	0	112.4	V939 S940 F941 L945 A946 S947	V939-G943 PolarHBondContact O-N 3.04Å; S940-G943 CarbonylContact O-C 3.58Å; S940-G943 VanDerWaalsContact O-CA 3.26Å; S940-G943 WeakPolarHBondContact O-CA 3.3Å; S940-G943 PolarHBondContact O-N 2.85Å; F941-G943 PolarHBondContact O-N 2.55Å; G943-L945 VanDerWaalsContact C-N 3.29Å; G943-L945 PolarHBondContact O-N 2.66Å; G943-A946 WeakPolarHBondContact O-CB 3.28Å; G943-A946 PolarHBondContact O-N 3.4Å; G943-S947 PolarHBondContact O-N 3.25Å; G943-S947 PolarHBondContact O-OG 2.97Å
944	R	90.3	Very high	91.7	Very high	78 Å²	78	47 Å²	47	29%	0.294	28%	0.282	S	S	.	.	H	α-helix	trans	-52.9	-44.5	178.3	-74.6	-171.7	170.8	-178.3	0.2	111.4	D106 D108 S940 F941 A946 S947 L948	D106-R944 IonicContact OD1-NH2 2.67Å; D106-R944 PolarHBondContact OD1-NH2 2.86Å; D108-R944 IonicContact OD1-NH2 2.93Å; D108-R944 IonicContact OD2-CZ 3.93Å; D108-R944 IonicContact OD2-NH1 3.81Å; D108-R944 PolarHBondContact OD2-NH1 2.76Å; D108-R944 IonicContact OD2-NH2 2.59Å; D108-R944 PolarHBondContact OD2-NH2 2.94Å; S940-R944 PolarHBondContact O-N 2.93Å; F941-R944 PolarHBondContact O-N 2.82Å; R944-A946 VanDerWaalsContact C-N 3.33Å; R944-A946 PolarHBondContact O-N 3.06Å; R944-S947 WeakPolarHBondContact CA-OG 3.44Å; R944-S947 CarbonylContact O-C 3.53Å; R944-S947 PolarHBondContact O-N 3.34Å; R944-S947 PolarHBondContact O-OG 2.87Å; R944-L948 PolarHBondContact O-N 3.44Å
945	L	90.3	Very high	91.2	Very high	6 Å²	6	49.4 Å²	49.4	3%	0.031	30%	0.302	C	S	.	.	H	α-helix	trans	-64.3	-33	177.7	-168	69.9	0	0	0	113.1	L882 F941 G943 L948 L1007 V1008 F1011	L882-L945 HydrophobicContact CD1-CD1 4.23Å; F941-L945 HydrophobicContact CE1-CD2 4.23Å; F941-L945 HydrophobicContact CZ-CD1 4.24Å; F941-L945 VanDerWaalsContact O-CB 3.22Å; F941-L945 WeakPolarHBondContact O-CB 3.44Å; F941-L945 PolarHBondContact O-N 3.21Å; G943-L945 VanDerWaalsContact C-N 3.29Å; G943-L945 PolarHBondContact O-N 2.66Å; L945-L948 HydrophobicContact CD1-CD2 4.43Å; L945-L948 WeakPolarHBondContact O-CB 3.46Å; L945-L1007 HydrophobicContact CD1-CD2 3.9Å; L945-L1007 HydrophobicContact CD1-CG 4.27Å; L945-L1007 HydrophobicContact CD2-CG 4.33Å; L945-V1008 HydrophobicContact CD2-CG2 4.3Å; L945-V1008 HydrophobicContact CG-CG2 3.92Å; L945-V1008 WeakPolarHBondContact O-CG2 3.35Å; L945-F1011 HydrophobicContact CD2-CB 3.87Å; L945-F1011 HydrophobicContact CD2-CD1 4.28Å; L945-F1011 HydrophobicContact CD2-CG 4.1Å
946	A	90.4	Very high	90.8	Very high	51 Å²	51	49.1 Å²	49.1	42%	0.421	30%	0.3	S	S	.	.	H	α-helix	trans	-78.1	-27	176.5	0	0	0	0	0	113.2	G942 G943 R944 R1004 V1008	G942-A946 WeakPolarHBondContact O-CB 3.12Å; G942-A946 PolarHBondContact O-N 2.78Å; G943-A946 WeakPolarHBondContact O-CB 3.28Å; G943-A946 PolarHBondContact O-N 3.4Å; R944-A946 VanDerWaalsContact C-N 3.33Å; R944-A946 PolarHBondContact O-N 3.06Å; A946-R1004 PolarHBondContact O-NH1 2.66Å; A946-V1008 HydrophobicContact CB-CG1 4.38Å
947	S	90.9	Very high	90.5	Very high	96 Å²	96	46.6 Å²	46.6	67%	0.671	29%	0.287	S	S	*	.	H	α-helix	trans	-88.1	-12.4	173.1	51.1	0	0	0	0	114.5	G943 R944 S949	G943-S947 PolarHBondContact O-N 3.25Å; G943-S947 PolarHBondContact O-OG 2.97Å; R944-S947 WeakPolarHBondContact CA-OG 3.44Å; R944-S947 CarbonylContact O-C 3.53Å; R944-S947 PolarHBondContact O-N 3.34Å; R944-S947 PolarHBondContact O-OG 2.87Å; S947-S949 PolarHBondContact O-N 3.27Å
948	L	90.6	Very high	90	Very high	38 Å²	38	50 Å²	50	20%	0.199	31%	0.308	C	S	.	.			trans	-49.5	132.9	176.7	-173.6	66.8	0	0	0	110.9	L882 R944 L945 C952 F953 R1004	L882-L948 HydrophobicContact CD1-CD2 4.48Å; L882-L948 HydrophobicContact CD2-CD2 4.38Å; R944-L948 PolarHBondContact O-N 3.44Å; L945-L948 HydrophobicContact CD1-CD2 4.43Å; L945-L948 WeakPolarHBondContact O-CB 3.46Å; L948-C952 HydrophobicContact CD1-CB 3.62Å; L948-C952 HydrophobicContact CG-CB 4.4Å; L948-F953 HydrophobicContact CD2-CB 3.93Å; L948-F953 HydrophobicContact CD2-CD2 4.19Å; L948-F953 HydrophobicContact CG-CB 4.35Å; L948-R1004 WeakPolarHBondContact O-CD 3.46Å; L948-R1004 PolarHBondContact O-NE 2.98Å; L948-R1004 PolarHBondContact O-NH1 2.9Å
949	S	90.8	Very high	89.4	Confident	52 Å²	52	50.5 Å²	50.5	36%	0.364	31%	0.313	S	S	.	.			trans	-75.5	154.7	176.9	71.3	0	0	0	0	111.3	S947 E951 C952 F953	S947-S949 PolarHBondContact O-N 3.27Å; S949-E951 PolarHBondContact O-N 3.21Å; S949-C952 PolarHBondContact O-N 3.4Å; S949-C952 WeakPolarHBondContact OG-CB 3.27Å; S949-C952 PolarHBondContact OG-N 3.05Å; S949-C952 VanDerWaalsContact OG-N 3.11Å; S949-C952 PolarHBondContact OG-SG 3.37Å; S949-C952 VanDerWaalsContact OG-SG 3.33Å; S949-F953 WeakPolarHBondContact O-CB 3.32Å; S949-F953 PolarHBondContact O-N 3.25Å
950	E	90.4	Very high	88.9	Confident	94 Å²	94	46 Å²	46	44%	0.439	29%	0.285	S	S	.	.	H	α-helix	trans	-61.5	-31.2	174.4	-65.8	-58.5	144.2	0	0	112	A954 R1004	E950-A954 WeakPolarHBondContact O-CB 3.48Å; E950-A954 PolarHBondContact O-N 2.87Å; E950-R1004 IonicContact OE1-CZ 2.6Å; E950-R1004 IonicContact OE1-NE 3.43Å; E950-R1004 PolarHBondContact OE1-NE 3.24Å; E950-R1004 IonicContact OE1-NH2 3.72Å
951	E	88.2	Confident	88.6	Confident	168 Å²	168	44.6 Å²	44.6	79%	0.785	27%	0.274	S	S	*	.	H	α-helix	trans	-69.7	-46	178.2	-66.1	176.5	-174.3	0	0	111.8	S949 A954 A955	S949-E951 PolarHBondContact O-N 3.21Å; E951-A954 PolarHBondContact O-N 3.34Å; E951-A955 WeakPolarHBondContact O-CB 3.31Å; E951-A955 PolarHBondContact O-N 3.17Å
952	C	85.3	Confident	87.9	Confident	42 Å²	42	47.5 Å²	47.5	28%	0.284	29%	0.286	S	S	.	.	H	α-helix	trans	-66.8	-38.4	175.1	-68.3	0	0	0	0	111.6	L948 S949 A955 Q956	L948-C952 HydrophobicContact CD1-CB 3.62Å; L948-C952 HydrophobicContact CG-CB 4.4Å; S949-C952 PolarHBondContact O-N 3.4Å; S949-C952 WeakPolarHBondContact OG-CB 3.27Å; S949-C952 PolarHBondContact OG-N 3.05Å; S949-C952 VanDerWaalsContact OG-N 3.11Å; S949-C952 PolarHBondContact OG-SG 3.37Å; S949-C952 VanDerWaalsContact OG-SG 3.33Å; C952-A955 PolarHBondContact O-N 3.36Å; C952-Q956 WeakPolarHBondContact O-CG 3.48Å; C952-Q956 PolarHBondContact O-N 3.01Å; C952-Q956 VanDerWaalsContact O-N 3.08Å
953	F	89.6	Confident	87.3	Confident	8 Å²	8	50 Å²	50	4%	0.035	30%	0.297	C	S	.	.	H	α-helix	trans	-61.6	-47.9	173	177.4	-102.3	0	0	0	111.8	L878 L948 S949 A955 Q956 V957 F1002 R1004 L1007	L878-F953 HydrophobicContact CD2-CE2 3.95Å; L878-F953 HydrophobicContact CD2-CZ 4.31Å; L948-F953 HydrophobicContact CD2-CB 3.93Å; L948-F953 HydrophobicContact CD2-CD2 4.19Å; L948-F953 HydrophobicContact CG-CB 4.35Å; S949-F953 WeakPolarHBondContact O-CB 3.32Å; S949-F953 PolarHBondContact O-N 3.25Å; F953-A955 VanDerWaalsContact C-N 3.34Å; F953-A955 PolarHBondContact O-N 3.41Å; F953-Q956 PolarHBondContact O-N 3.23Å; F953-V957 HydrophobicContact CD1-CG2 4.26Å; F953-V957 HydrophobicContact CD2-CG2 4.45Å; F953-V957 HydrophobicContact CE1-CG2 3.77Å; F953-V957 HydrophobicContact CE2-CG2 3.98Å; F953-V957 HydrophobicContact CZ-CG2 3.62Å; F953-V957 WeakPolarHBondContact O-CG2 3.27Å; F953-V957 PolarHBondContact O-N 3.17Å; F953-F1002 HydrophobicContact CZ-CB 4.26Å; F953-R1004 HydrophobicContact CB-CB 4.4Å; F953-R1004 HydrophobicContact CB-CG 4.34Å; F953-R1004 HydrophobicContact CD1-CB 3.97Å; F953-R1004 HydrophobicContact CD2-CB 4.12Å; F953-R1004 HydrophobicContact CD2-CG 4.19Å; F953-R1004 HydrophobicContact CE1-CB 4.31Å; F953-R1004 HydrophobicContact CE2-CB 4.43Å; F953-R1004 HydrophobicContact CG-CB 3.88Å; F953-R1004 HydrophobicContact CG-CG 4.16Å; F953-L1007 HydrophobicContact CD2-CD2 4.3Å; F953-L1007 HydrophobicContact CE2-CB 4.37Å; F953-L1007 HydrophobicContact CE2-CD2 3.79Å
954	A	88.4	Confident	86.9	Confident	48 Å²	48	48.6 Å²	48.6	40%	0.397	28%	0.28	S	S	.	.	H	α-helix	trans	-64.2	-37	178.4	0	0	0	0	0	112.6	E950 E951 T958	E950-A954 WeakPolarHBondContact O-CB 3.48Å; E950-A954 PolarHBondContact O-N 2.87Å; E951-A954 PolarHBondContact O-N 3.34Å; A954-T958 WeakPolarHBondContact O-CB 3.48Å; A954-T958 PolarHBondContact O-N 3.3Å; A954-T958 PolarHBondContact O-OG1 3Å
955	A	84.1	Confident	86.6	Confident	51 Å²	51	50.3 Å²	50.3	42%	0.421	29%	0.291	S	S	.	.	H	α-helix	trans	-60.9	-45.4	173.3	0	0	0	0	0	111.5	E951 C952 F953 T958 A959	E951-A955 WeakPolarHBondContact O-CB 3.31Å; E951-A955 PolarHBondContact O-N 3.17Å; C952-A955 PolarHBondContact O-N 3.36Å; F953-A955 VanDerWaalsContact C-N 3.34Å; F953-A955 PolarHBondContact O-N 3.41Å; A955-T958 WeakPolarHBondContact O-CB 3.45Å; A955-T958 PolarHBondContact O-N 2.85Å; A955-A959 PolarHBondContact O-N 2.84Å
956	Q	84.7	Confident	85.8	Confident	31 Å²	31	50.9 Å²	50.9	15%	0.145	30%	0.296	C	S	.	.	H	α-helix	trans	-71.3	-38.4	-179.4	-70	-74.4	17.6	0	0	112.9	L878 L882 C952 F953 T958 A959 L960	L878-Q956 HydrophobicContact CD1-CB 4.39Å; L882-Q956 HydrophobicContact CD2-CB 4.02Å; L882-Q956 HydrophobicContact CD2-CG 3.71Å; C952-Q956 WeakPolarHBondContact O-CG 3.48Å; C952-Q956 PolarHBondContact O-N 3.01Å; C952-Q956 VanDerWaalsContact O-N 3.08Å; F953-Q956 PolarHBondContact O-N 3.23Å; Q956-T958 VanDerWaalsContact C-N 3.28Å; Q956-T958 PolarHBondContact O-N 3.22Å; Q956-A959 PolarHBondContact O-N 2.95Å; Q956-L960 PolarHBondContact O-N 3.15Å
957	V	89.6	Confident	85.1	Confident	13 Å²	13	53.6 Å²	53.6	8%	0.079	30%	0.3	C	S	.	.	H	α-helix	trans	-59.1	-41.4	168.4	171.9	0	0	0	0	110.9	L878 F953 L960 I961 L999	L878-V957 HydrophobicContact CD1-CG2 4.33Å; L878-V957 HydrophobicContact CD2-CG2 3.69Å; F953-V957 HydrophobicContact CD1-CG2 4.26Å; F953-V957 HydrophobicContact CD2-CG2 4.45Å; F953-V957 HydrophobicContact CE1-CG2 3.77Å; F953-V957 HydrophobicContact CE2-CG2 3.98Å; F953-V957 HydrophobicContact CZ-CG2 3.62Å; F953-V957 WeakPolarHBondContact O-CG2 3.27Å; F953-V957 PolarHBondContact O-N 3.17Å; V957-L960 PolarHBondContact O-N 3.36Å; V957-I961 HydrophobicContact CG1-CD1 3.8Å; V957-I961 HydrophobicContact CG1-CG1 4.43Å; V957-I961 WeakPolarHBondContact O-CB 3.5Å; V957-I961 VanDerWaalsContact O-CG1 3.29Å; V957-I961 WeakPolarHBondContact O-CG1 3.31Å; V957-I961 PolarHBondContact O-N 3.43Å; V957-L999 HydrophobicContact CG1-CB 4.46Å
958	T	85.9	Confident	84.7	Confident	74 Å²	74	49.5 Å²	49.5	45%	0.454	27%	0.27	S	S	.	.	H	α-helix	trans	-66.3	-39.4	177.5	-57	0	0	0	0	111.8	A954 A955 Q956 I961 K962	A954-T958 WeakPolarHBondContact O-CB 3.48Å; A954-T958 PolarHBondContact O-N 3.3Å; A954-T958 PolarHBondContact O-OG1 3Å; A955-T958 WeakPolarHBondContact O-CB 3.45Å; A955-T958 PolarHBondContact O-N 2.85Å; Q956-T958 VanDerWaalsContact C-N 3.28Å; Q956-T958 PolarHBondContact O-N 3.22Å; T958-I961 PolarHBondContact O-N 2.81Å; T958-K962 WeakPolarHBondContact O-CB 3.48Å; T958-K962 WeakPolarHBondContact O-CG 3.39Å; T958-K962 PolarHBondContact O-N 3.32Å
959	A	81.3	Confident	84	Confident	11 Å²	11	49.5 Å²	49.5	9%	0.091	28%	0.275	C	S	.	.	H	α-helix	trans	-62.5	-46.3	175.6	0	0	0	0	0	111.8	M881 A955 Q956 K962 L963	M881-A959 HydrophobicContact CE-CB 3.93Å; A955-A959 PolarHBondContact O-N 2.84Å; Q956-A959 PolarHBondContact O-N 2.95Å; A959-K962 WeakPolarHBondContact O-CB 3.1Å; A959-K962 PolarHBondContact O-N 3.04Å; A959-L963 WeakPolarHBondContact O-CB 3.32Å; A959-L963 PolarHBondContact O-N 2.97Å
960	L	84	Confident	83.7	Confident	2 Å²	2	49.9 Å²	49.9	1%	0.01	27%	0.271	C	S	.	.	H	α-helix	trans	-68.9	-35	176.6	-176.8	59.9	0	0	0	113	E877 L878 M881 Q956 V957 L963 K964 L999	E877-L960 HydrophobicContact CB-CD2 4.49Å; E877-L960 HydrophobicContact CG-CD1 4.1Å; E877-L960 HydrophobicContact CG-CD2 4.37Å; L878-L960 HydrophobicContact CB-CD2 3.68Å; L878-L960 HydrophobicContact CD1-CB 4.43Å; L878-L960 HydrophobicContact CD1-CD2 4.14Å; L878-L960 HydrophobicContact CG-CD2 4.49Å; M881-L960 HydrophobicContact SD-CB 4.11Å; M881-L960 HydrophobicContact SD-CD1 4.48Å; Q956-L960 PolarHBondContact O-N 3.15Å; V957-L960 PolarHBondContact O-N 3.36Å; L960-L963 HydrophobicContact CD1-CD2 4.13Å; L960-L963 PolarHBondContact O-N 3.49Å; L960-K964 WeakPolarHBondContact O-CG 3.4Å; L960-K964 PolarHBondContact O-N 3.2Å; L960-K964 VanDerWaalsContact O-N 3.16Å; L960-L999 HydrophobicContact CD2-CD1 4.02Å; L960-L999 HydrophobicContact CD2-CD2 3.81Å; L960-L999 HydrophobicContact CG-CD1 3.88Å
961	I	87	Confident	83.7	Confident	19 Å²	19	45.4 Å²	45.4	10%	0.097	25%	0.251	C	S	.	.	H	α-helix	trans	-60.6	-51.2	171.8	-77.4	169.5	0	0	0	109.8	V957 T958 L963 K964 E965 V996 L999 K1000	V957-I961 HydrophobicContact CG1-CD1 3.8Å; V957-I961 HydrophobicContact CG1-CG1 4.43Å; V957-I961 WeakPolarHBondContact O-CB 3.5Å; V957-I961 VanDerWaalsContact O-CG1 3.29Å; V957-I961 WeakPolarHBondContact O-CG1 3.31Å; V957-I961 PolarHBondContact O-N 3.43Å; T958-I961 PolarHBondContact O-N 2.81Å; I961-L963 VanDerWaalsContact C-N 3.34Å; I961-L963 PolarHBondContact O-N 3.38Å; I961-K964 CarbonylContact O-C 3.55Å; I961-K964 PolarHBondContact O-N 3.48Å; I961-E965 HydrophobicContact CG2-CG 4.14Å; I961-E965 WeakPolarHBondContact O-CG 3.37Å; I961-E965 PolarHBondContact O-N 3.38Å; I961-V996 HydrophobicContact CG2-CG1 4Å; I961-V996 HydrophobicContact CG2-CG2 4.47Å; I961-L999 HydrophobicContact CD1-CB 3.99Å; I961-L999 HydrophobicContact CG1-CB 3.7Å; I961-L999 HydrophobicContact CG1-CD1 3.93Å; I961-L999 HydrophobicContact CG1-CG 4.45Å; I961-K1000 HydrophobicContact CD1-CG 3.73Å
962	K	80	Confident	83.8	Confident	66 Å²	66	37.6 Å²	37.6	29%	0.287	22%	0.215	S	C	.	.	H	α-helix	trans	-52.5	-52.9	175.6	-80.4	177.4	149.7	-131.3	0	110.9	E147 T958 A959 K964 E965 C966	E147-K962 IonicContact OE2-NZ 2.72Å; E147-K962 PolarHBondContact OE2-NZ 3.49Å; T958-K962 WeakPolarHBondContact O-CB 3.48Å; T958-K962 WeakPolarHBondContact O-CG 3.39Å; T958-K962 PolarHBondContact O-N 3.32Å; A959-K962 WeakPolarHBondContact O-CB 3.1Å; A959-K962 PolarHBondContact O-N 3.04Å; K962-K964 PolarHBondContact O-N 3.21Å; K962-E965 CarbonylContact O-C 3.5Å; K962-E965 PolarHBondContact O-N 2.87Å; K962-C966 PolarHBondContact O-N 3.42Å; K962-C966 PolarHBondContact O-SG 3.46Å
963	L	78.4	Confident	83.8	Confident	62 Å²	62	38.4 Å²	38.4	33%	0.325	21%	0.214	S	C	.	.	H	α-helix	trans	-52.8	-31.9	179.7	-171.6	67.6	0	0	0	113.1	A959 L960 I961 C966	A959-L963 WeakPolarHBondContact O-CB 3.32Å; A959-L963 PolarHBondContact O-N 2.97Å; L960-L963 HydrophobicContact CD1-CD2 4.13Å; L960-L963 PolarHBondContact O-N 3.49Å; I961-L963 VanDerWaalsContact C-N 3.34Å; I961-L963 PolarHBondContact O-N 3.38Å; L963-C966 VanDerWaalsContact CA-SG 3.57Å; L963-C966 WeakPolarHBondContact O-CB 3.35Å
964	K	84.4	Confident	83.9	Confident	11 Å²	11	38.6 Å²	38.6	5%	0.048	22%	0.215	C	C	.	.	H	α-helix	trans	-89.4	-24.4	176.3	-68.9	-179.6	-179.3	-66.8	0	114.7	E877 L960 I961 K962 C966 L992 E995 V996 L999	E877-K964 IonicContact OE1-NZ 3.87Å; E877-K964 PolarHBondContact OE1-NZ 3.42Å; E877-K964 WeakPolarHBondContact OE2-CE 3.42Å; E877-K964 IonicContact OE2-NZ 2.62Å; E877-K964 PolarHBondContact OE2-NZ 3.24Å; L960-K964 WeakPolarHBondContact O-CG 3.4Å; L960-K964 PolarHBondContact O-N 3.2Å; L960-K964 VanDerWaalsContact O-N 3.16Å; I961-K964 CarbonylContact O-C 3.55Å; I961-K964 PolarHBondContact O-N 3.48Å; K962-K964 PolarHBondContact O-N 3.21Å; K964-C966 VanDerWaalsContact C-N 3.26Å; K964-L992 HydrophobicContact CB-CD2 4.41Å; K964-L992 HydrophobicContact CG-CD2 4.25Å; K964-E995 HydrophobicContact CD-CB 3.95Å; K964-E995 IonicContact NZ-OE2 3.66Å; K964-E995 PolarHBondContact NZ-OE2 3.41Å; K964-V996 HydrophobicContact CB-CG2 3.54Å; K964-V996 HydrophobicContact CD-CG2 4.38Å; K964-L999 HydrophobicContact CD-CD1 3.75Å
965	E	83.3	Confident	84.2	Confident	113 Å²	113	36.3 Å²	36.3	53%	0.528	20%	0.196	S	C	.	.	H	α-helix	trans	-80.2	-9.6	172.2	-70.1	-177.2	155.5	0	0	112.3	I961 K962 V996 K1000	I961-E965 HydrophobicContact CG2-CG 4.14Å; I961-E965 WeakPolarHBondContact O-CG 3.37Å; I961-E965 PolarHBondContact O-N 3.38Å; K962-E965 CarbonylContact O-C 3.5Å; K962-E965 PolarHBondContact O-N 2.87Å; E965-V996 HydrophobicContact CG-CG1 4.06Å; E965-V996 HydrophobicContact CG-CG2 3.8Å; E965-V996 WeakPolarHBondContact OE1-CG1 3.16Å; E965-K1000 IonicContact OE1-NZ 3.59Å
966	C	74.4	Confident	84.5	Confident	19 Å²	19	36.3 Å²	36.3	13%	0.128	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-55.7	137.9	175.2	-66.9	0	0	0	0	112.5	S146 E147 K962 L963 K964	S146-C966 VanDerWaalsContact C-CB 3.49Å; S146-C966 WeakPolarHBondContact OG-CB 3.13Å; E147-C966 PolarHBondContact N-SG 3.38Å; K962-C966 PolarHBondContact O-N 3.42Å; K962-C966 PolarHBondContact O-SG 3.46Å; L963-C966 VanDerWaalsContact CA-SG 3.57Å; L963-C966 WeakPolarHBondContact O-CB 3.35Å; K964-C966 VanDerWaalsContact C-N 3.26Å
967	E	75.6	Confident	84.9	Confident	108 Å²	108	38.3 Å²	38.3	51%	0.505	20%	0.195	S	C	.	.	P	Polyproline II helix	trans	-91.4	133.4	-179.5	-99.4	-156.8	-129.9	0	0	110.7	S146 K637 A969	S146-E967 WeakPolarHBondContact CB-O 3.4Å; K637-E967 WeakPolarHBondContact CE-OE2 3.46Å; K637-E967 IonicContact NZ-OE2 3.74Å; K637-E967 PolarHBondContact NZ-OE2 3.38Å; E967-A969 PolarHBondContact O-N 3.09Å
968	D	82.3	Confident	85.2	Confident	10 Å²	10	37.7 Å²	37.7	5%	0.053	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-50.9	125.8	-179.9	-25.5	-108.6	0	0	0	111.1	K637 F638 E973 E974 R977	K637-D968 WeakPolarHBondContact CE-O 3.44Å; K637-D968 PolarHBondContact NZ-O 3.04Å; K637-D968 IonicContact NZ-OD2 3.84Å; F638-D968 HydrophobicContact CZ-CB 4.41Å; F638-D968 WeakPolarHBondContact CZ-O 3.48Å; D968-E973 WeakPolarHBondContact CA-OE2 3.43Å; D968-E973 HydrophobicContact CB-CB 4.16Å; D968-E973 HydrophobicContact CB-CG 4.09Å; D968-E974 HydrophobicContact CB-CB 3.88Å; D968-E974 WeakPolarHBondContact OD1-CA 3.39Å; D968-R977 IonicContact OD1-CZ 3.16Å; D968-R977 IonicContact OD1-NE 2.75Å; D968-R977 PolarHBondContact OD1-NE 3.24Å; D968-R977 IonicContact OD1-NH2 3.37Å; D968-R977 PolarHBondContact OD1-NH2 3.03Å; D968-R977 IonicContact OD2-CZ 3.34Å; D968-R977 IonicContact OD2-NH2 3.85Å; D968-R977 PolarHBondContact OD2-NH2 3.08Å
969	A	76.9	Confident	85.6	Confident	37 Å²	37	34.5 Å²	34.5	31%	0.306	17%	0.172	S	C	.	.	S	Bend	trans	-72.6	-33.5	-170.8	0	0	0	0	0	112.2	F638 E967 E973	F638-A969 WeakPolarHBondContact CE1-O 3.48Å; E967-A969 PolarHBondContact O-N 3.09Å; A969-E973 PolarHBondContact N-OE2 3.07Å
970	H	83.8	Confident	86.1	Confident	60 Å²	60	34.9 Å²	34.9	28%	0.278	17%	0.171	S	C	.	.	S	Bend	trans	-142.4	174.6	179.6	72.8	112.6	0	0	0	112.3	E496 F638 G972	E496-H970 HydrophobicContact CB-CB 4.04Å; E496-H970 WeakPolarHBondContact OE2-CB 3.43Å; E496-H970 IonicContact OE2-CE1 2.76Å; E496-H970 IonicContact OE2-CG 3.18Å; E496-H970 IonicContact OE2-ND1 3.96Å; E496-H970 PolarHBondContact OE2-ND1 2.91Å; F638-H970 VanDerWaalsContact CE1-C 3.46Å; F638-H970 WeakPolarHBondContact CZ-O 3.27Å; H970-G972 VanDerWaalsContact C-N 3.34Å; H970-G972 PolarHBondContact ND1-N 3.28Å; H970-G972 PolarHBondContact O-N 3.21Å
971	L	89.8	Confident	86.4	Confident	1 Å²	1	35.1 Å²	35.1	1%	0.005	17%	0.172	C	C	.	.	H	α-helix	trans	-68.7	-34	-172.9	-179.9	60.7	0	0	0	111.9	E496 D635 F638 I640 Y644 Q801 E974 V975	E496-L971 PolarHBondContact OE2-N 3.27Å; D635-L971 HydrophobicContact CB-CD1 4.1Å; D635-L971 HydrophobicContact CB-CD2 4.45Å; F638-L971 HydrophobicContact CD2-CB 3.76Å; F638-L971 HydrophobicContact CD2-CD1 3.86Å; F638-L971 HydrophobicContact CD2-CG 4.39Å; F638-L971 HydrophobicContact CE2-CB 4.22Å; F638-L971 HydrophobicContact CE2-CD1 4.22Å; F638-L971 HydrophobicContact CG-CB 4.16Å; I640-L971 HydrophobicContact CD1-CB 3.98Å; I640-L971 HydrophobicContact CD1-CD2 4.04Å; I640-L971 HydrophobicContact CG1-CD2 4.16Å; Y644-L971 HydrophobicContact CD2-CD2 4Å; Y644-L971 HydrophobicContact CD2-CG 3.97Å; Y644-L971 HydrophobicContact CE2-CB 4.18Å; Y644-L971 HydrophobicContact CE2-CD2 3.91Å; Y644-L971 HydrophobicContact CE2-CG 3.77Å; Q801-L971 HydrophobicContact CG-CD1 4.3Å; L971-E974 PolarHBondContact O-N 3.43Å; L971-V975 HydrophobicContact CD1-CG2 4.19Å; L971-V975 HydrophobicContact CG-CG2 4.24Å; L971-V975 WeakPolarHBondContact O-CG2 3.4Å; L971-V975 PolarHBondContact O-N 3.48Å; L971-V975 VanDerWaalsContact O-N 3.11Å
972	G	90.1	Very high	86.6	Confident	3 Å²	3	34.3 Å²	34.3	3%	0.031	17%	0.168	C	C	.	.	H	α-helix	trans	-55.7	-58	177	0	0	0	0	0	113	Y644 H970 E974 V975 D976	Y644-G972 VanDerWaalsContact CZ-CA 3.48Å; Y644-G972 VanDerWaalsContact OH-CA 3.3Å; Y644-G972 WeakPolarHBondContact OH-CA 3.44Å; Y644-G972 PolarHBondContact OH-N 3.19Å; H970-G972 VanDerWaalsContact C-N 3.34Å; H970-G972 PolarHBondContact ND1-N 3.28Å; H970-G972 PolarHBondContact O-N 3.21Å; G972-E974 VanDerWaalsContact C-N 3.3Å; G972-E974 PolarHBondContact O-N 3.39Å; G972-V975 CarbonylContact O-C 3.57Å; G972-V975 WeakPolarHBondContact O-CA 3.38Å; G972-V975 WeakPolarHBondContact O-CB 3.5Å; G972-V975 PolarHBondContact O-N 3.45Å; G972-D976 PolarHBondContact O-N 3.49Å; G972-D976 VanDerWaalsContact O-OD2 3.1Å
973	E	86.7	Confident	87.1	Confident	60 Å²	60	31.6 Å²	31.6	28%	0.28	16%	0.157	S	C	.	.	H	α-helix	trans	-51.1	-45.7	178.3	-173.5	-168.9	165.4	0	0	112.6	S146 D968 A969 V975 D976 R977	S146-E973 PolarHBondContact OG-OE1 2.88Å; S146-E973 VanDerWaalsContact OG-OE1 3.12Å; D968-E973 WeakPolarHBondContact CA-OE2 3.43Å; D968-E973 HydrophobicContact CB-CB 4.16Å; D968-E973 HydrophobicContact CB-CG 4.09Å; A969-E973 PolarHBondContact N-OE2 3.07Å; E973-V975 VanDerWaalsContact C-N 3.28Å; E973-V975 PolarHBondContact O-N 3.24Å; E973-D976 PolarHBondContact O-N 3.22Å; E973-R977 WeakPolarHBondContact O-CB 3.33Å; E973-R977 PolarHBondContact O-N 3.35Å
974	E	91.8	Very high	87.4	Confident	11 Å²	11	29 Å²	29	5%	0.051	14%	0.144	C	C	.	.	H	α-helix	trans	-63.4	-34.1	177.3	-165.7	-169.2	-135.5	0	0	112.2	K633 F638 Q801 D968 L971 G972 N978	K633-E974 WeakPolarHBondContact CE-OE1 3.11Å; K633-E974 WeakPolarHBondContact CE-OE2 3.33Å; K633-E974 IonicContact NZ-OE1 2.71Å; K633-E974 PolarHBondContact NZ-OE1 3.37Å; K633-E974 IonicContact NZ-OE2 3.99Å; F638-E974 HydrophobicContact CE2-CB 4.25Å; Q801-E974 PolarHBondContact NE2-O 3.02Å; Q801-E974 PolarHBondContact NE2-OE2 2.92Å; D968-E974 HydrophobicContact CB-CB 3.88Å; D968-E974 WeakPolarHBondContact OD1-CA 3.39Å; L971-E974 PolarHBondContact O-N 3.43Å; G972-E974 VanDerWaalsContact C-N 3.3Å; G972-E974 PolarHBondContact O-N 3.39Å; E974-N978 WeakPolarHBondContact O-CB 3.31Å; E974-N978 PolarHBondContact O-N 3.03Å; E974-N978 PolarHBondContact O-ND2 2.84Å
975	V	94.6	Very high	87.5	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-74.6	-41.5	176.3	-178.3	0	0	0	0	110.6	Y644 L799 Q801 L971 G972 E973 N978 W979	Y644-V975 HydrophobicContact CD1-CB 4.33Å; Y644-V975 HydrophobicContact CD1-CG1 4.21Å; Y644-V975 HydrophobicContact CD1-CG2 4.31Å; Y644-V975 HydrophobicContact CD2-CG2 3.73Å; Y644-V975 HydrophobicContact CE2-CG2 4.39Å; Y644-V975 HydrophobicContact CG-CB 4.18Å; Y644-V975 HydrophobicContact CG-CG1 4.04Å; Y644-V975 HydrophobicContact CG-CG2 3.72Å; L799-V975 HydrophobicContact CD2-CG1 4.2Å; Q801-V975 HydrophobicContact CB-CG2 3.97Å; Q801-V975 HydrophobicContact CG-CG2 3.71Å; L971-V975 HydrophobicContact CD1-CG2 4.19Å; L971-V975 HydrophobicContact CG-CG2 4.24Å; L971-V975 WeakPolarHBondContact O-CG2 3.4Å; L971-V975 PolarHBondContact O-N 3.48Å; L971-V975 VanDerWaalsContact O-N 3.11Å; G972-V975 CarbonylContact O-C 3.57Å; G972-V975 WeakPolarHBondContact O-CA 3.38Å; G972-V975 WeakPolarHBondContact O-CB 3.5Å; G972-V975 PolarHBondContact O-N 3.45Å; E973-V975 VanDerWaalsContact C-N 3.28Å; E973-V975 PolarHBondContact O-N 3.24Å; V975-N978 PolarHBondContact O-N 3.47Å; V975-W979 WeakPolarHBondContact O-CB 3.44Å; V975-W979 PolarHBondContact O-N 3.14Å
976	D	91.1	Very high	87.7	Confident	51 Å²	51	24.2 Å²	24.2	27%	0.273	12%	0.122	S	C	.	.	H	α-helix	trans	-63.1	-46.5	178.4	-81	-66	0	0	0	111.7	R646 R701 G972 E973 N978 W979 Y980	R646-D976 IonicContact CZ-OD1 3.04Å; R646-D976 IonicContact CZ-OD2 2.69Å; R646-D976 IonicContact NH1-OD1 3.24Å; R646-D976 PolarHBondContact NH1-OD1 3Å; R646-D976 IonicContact NH1-OD2 2.74Å; R646-D976 IonicContact NH2-OD1 2.6Å; R646-D976 PolarHBondContact NH2-OD1 2.9Å; R646-D976 IonicContact NH2-OD2 2.95Å; R646-D976 PolarHBondContact NH2-OD2 3.39Å; R701-D976 IonicContact NH1-OD1 2.63Å; G972-D976 PolarHBondContact O-N 3.49Å; G972-D976 VanDerWaalsContact O-OD2 3.1Å; E973-D976 PolarHBondContact O-N 3.22Å; D976-N978 VanDerWaalsContact C-N 3.32Å; D976-N978 PolarHBondContact O-N 3Å; D976-W979 PolarHBondContact O-N 3.03Å; D976-W979 VanDerWaalsContact O-N 3.16Å; D976-Y980 PolarHBondContact O-N 2.88Å
977	R	92.3	Very high	88.5	Confident	73 Å²	73	26.8 Å²	26.8	28%	0.275	13%	0.13	S	C	.	.	H	α-helix	trans	-55.4	-44.7	172.7	-179.7	167.9	63.6	105.5	-10.7	112.4	D968 E973	D968-R977 IonicContact OD1-CZ 3.16Å; D968-R977 IonicContact OD1-NE 2.75Å; D968-R977 PolarHBondContact OD1-NE 3.24Å; D968-R977 IonicContact OD1-NH2 3.37Å; D968-R977 PolarHBondContact OD1-NH2 3.03Å; D968-R977 IonicContact OD2-CZ 3.34Å; D968-R977 IonicContact OD2-NH2 3.85Å; D968-R977 PolarHBondContact OD2-NH2 3.08Å; E973-R977 WeakPolarHBondContact O-CB 3.33Å; E973-R977 PolarHBondContact O-N 3.35Å
978	N	95.2	Very high	89.2	Confident	1 Å²	1	22.1 Å²	22.1	1%	0.005	11%	0.108	C	C	.	.	H	α-helix	trans	-72	-35.9	177.4	-74.4	-29.4	0	0	0	112.7	P619 L799 Q801 E974 V975 D976 E981 V982 F989	P619-N978 WeakPolarHBondContact CD-OD1 3.29Å; P619-N978 HydrophobicContact CG-CB 3.73Å; P619-N978 VanDerWaalsContact CG-CG 3.42Å; L799-N978 HydrophobicContact CD2-CB 3.84Å; Q801-N978 PolarHBondContact NE2-ND2 3.35Å; Q801-N978 PolarHBondContact OE1-ND2 3.18Å; E974-N978 WeakPolarHBondContact O-CB 3.31Å; E974-N978 PolarHBondContact O-N 3.03Å; E974-N978 PolarHBondContact O-ND2 2.84Å; V975-N978 PolarHBondContact O-N 3.47Å; D976-N978 VanDerWaalsContact C-N 3.32Å; D976-N978 PolarHBondContact O-N 3Å; N978-E981 PolarHBondContact O-N 3.49Å; N978-V982 PolarHBondContact O-N 3.25Å; N978-F989 HydrophobicContact CB-CD1 4.36Å; N978-F989 HydrophobicContact CB-CE1 4.42Å
979	W	94.9	Very high	89.7	Confident	7 Å²	7	22.5 Å²	22.5	3%	0.027	11%	0.109	C	C	.	.	H	α-helix	trans	-67	-38.5	-180	-179.8	-114.9	0	0	0	111.8	R646 H648 V699 L799 V975 D976 E981 V982 A983	R646-W979 HydrophobicContact CB-CD2 3.77Å; R646-W979 HydrophobicContact CB-CE3 3.54Å; R646-W979 HydrophobicContact CB-CH2 3.84Å; R646-W979 HydrophobicContact CB-CZ2 4.05Å; R646-W979 HydrophobicContact CB-CZ3 3.58Å; R646-W979 HydrophobicContact CG-CD2 4.28Å; R646-W979 HydrophobicContact CG-CE3 4.38Å; H648-W979 HydrophobicContact CB-CH2 3.96Å; H648-W979 HydrophobicContact CB-CZ2 4.16Å; V699-W979 HydrophobicContact CG1-CZ2 3.97Å; V699-W979 HydrophobicContact CG2-CZ2 4.21Å; L799-W979 HydrophobicContact CB-CE3 3.71Å; L799-W979 HydrophobicContact CB-CZ3 3.99Å; L799-W979 HydrophobicContact CD2-CB 4.15Å; L799-W979 HydrophobicContact CD2-CE3 4.31Å; V975-W979 WeakPolarHBondContact O-CB 3.44Å; V975-W979 PolarHBondContact O-N 3.14Å; D976-W979 PolarHBondContact O-N 3.03Å; D976-W979 VanDerWaalsContact O-N 3.16Å; W979-E981 VanDerWaalsContact C-N 3.27Å; W979-E981 PolarHBondContact O-N 2.85Å; W979-V982 HydrophobicContact CE3-CB 4.18Å; W979-V982 HydrophobicContact CE3-CG1 4.16Å; W979-V982 HydrophobicContact CZ3-CB 4.4Å; W979-V982 HydrophobicContact CZ3-CG1 3.88Å; W979-V982 PolarHBondContact O-N 2.87Å; W979-V982 VanDerWaalsContact O-N 3.15Å; W979-A983 HydrophobicContact CD2-CB 4.33Å; W979-A983 HydrophobicContact CZ2-CB 4.16Å; W979-A983 VanDerWaalsContact O-CB 3.3Å; W979-A983 WeakPolarHBondContact O-CB 3.46Å; W979-A983 PolarHBondContact O-N 3.1Å
980	Y	90.7	Very high	90.4	Very high	19 Å²	19	22.9 Å²	22.9	8%	0.075	11%	0.106	C	C	.	.	H	α-helix	trans	-52.2	-46.4	173.6	179.7	-86.1	0	0	0	111.7	V135 D136 K868 N907 D976 V982 T984	V135-Y980 HydrophobicContact CG1-CD2 3.77Å; V135-Y980 HydrophobicContact CG1-CE2 4.19Å; V135-Y980 VanDerWaalsContact O-CE2 3.27Å; V135-Y980 WeakPolarHBondContact O-CE2 3.44Å; D136-Y980 WeakPolarHBondContact OD1-CE2 3.46Å; D136-Y980 PolarHBondContact OD1-OH 2.97Å; K868-Y980 PolarHBondContact NZ-OH 2.83Å; N907-Y980 PolarHBondContact ND2-OH 2.68Å; D976-Y980 PolarHBondContact O-N 2.88Å; Y980-V982 PolarHBondContact O-N 2.77Å; Y980-T984 HydrophobicContact CE1-CG2 4.43Å; Y980-T984 HydrophobicContact CE2-CG2 4.28Å; Y980-T984 WeakPolarHBondContact O-CB 3.28Å; Y980-T984 WeakPolarHBondContact O-CG2 3.42Å; Y980-T984 PolarHBondContact O-N 3.3Å; Y980-T984 PolarHBondContact O-OG1 3.25Å
981	E	91.6	Very high	90.7	Very high	7 Å²	7	20.6 Å²	20.6	3%	0.033	10%	0.095	C	C	.	.	H	α-helix	trans	-68.5	-32.6	-179.5	-64.9	-56.8	141.2	0	0	113.4	N978 W979 Q985 Q986 Y987 L988 F989 R991	N978-E981 PolarHBondContact O-N 3.49Å; W979-E981 VanDerWaalsContact C-N 3.27Å; W979-E981 PolarHBondContact O-N 2.85Å; E981-Q985 PolarHBondContact O-N 3.31Å; E981-Q986 PolarHBondContact O-N 3.14Å; E981-Q986 VanDerWaalsContact OE2-CB 3.22Å; E981-Q986 WeakPolarHBondContact OE2-CB 3.24Å; E981-Y987 PolarHBondContact O-N 3.5Å; E981-L988 WeakPolarHBondContact OE2-CA 3.41Å; E981-L988 WeakPolarHBondContact OE2-CB 3.41Å; E981-L988 PolarHBondContact OE2-N 3.12Å; E981-F989 HydrophobicContact CB-CD1 3.82Å; E981-F989 HydrophobicContact CB-CE1 3.73Å; E981-F989 HydrophobicContact CB-CZ 4.46Å; E981-F989 HydrophobicContact CG-CD1 4.15Å; E981-R991 VanDerWaalsContact CD-NH2 3.3Å; E981-R991 IonicContact OE1-CZ 3.54Å; E981-R991 IonicContact OE1-NE 3.53Å; E981-R991 PolarHBondContact OE1-NE 3.41Å; E981-R991 IonicContact OE1-NH2 2.63Å; E981-R991 PolarHBondContact OE1-NH2 2.79Å; E981-R991 IonicContact OE2-CZ 2.87Å; E981-R991 IonicContact OE2-NH2 3.88Å; E981-R991 PolarHBondContact OE2-NH2 2.99Å
982	V	91.8	Very high	90.8	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.006	10%	0.102	C	C	.	.	H	α-helix	trans	-75.1	-52.6	175.4	174.5	0	0	0	0	110.8	W631 E797 N978 W979 Y980 T984 Q985 F989	W631-V982 HydrophobicContact CB-CG2 4.22Å; W631-V982 HydrophobicContact CD2-CG2 4.28Å; W631-V982 HydrophobicContact CG-CG1 4.48Å; W631-V982 HydrophobicContact CG-CG2 3.81Å; E797-V982 HydrophobicContact CG-CG1 3.72Å; N978-V982 PolarHBondContact O-N 3.25Å; W979-V982 HydrophobicContact CE3-CB 4.18Å; W979-V982 HydrophobicContact CE3-CG1 4.16Å; W979-V982 HydrophobicContact CZ3-CB 4.4Å; W979-V982 HydrophobicContact CZ3-CG1 3.88Å; W979-V982 PolarHBondContact O-N 2.87Å; W979-V982 VanDerWaalsContact O-N 3.15Å; Y980-V982 PolarHBondContact O-N 2.77Å; V982-T984 VanDerWaalsContact C-N 3.32Å; V982-T984 PolarHBondContact O-N 3.45Å; V982-Q985 PolarHBondContact O-N 2.77Å; V982-F989 HydrophobicContact CG2-CE1 3.96Å; V982-F989 HydrophobicContact CG2-CZ 3.93Å
983	A	89	Confident	90.8	Very high	9 Å²	9	25.3 Å²	25.3	7%	0.074	13%	0.125	C	C	.	.	H	α-helix	trans	-63.6	-35.3	-176	0	0	0	0	0	112.9	W979	W979-A983 HydrophobicContact CD2-CB 4.33Å; W979-A983 HydrophobicContact CZ2-CB 4.16Å; W979-A983 VanDerWaalsContact O-CB 3.3Å; W979-A983 WeakPolarHBondContact O-CB 3.46Å; W979-A983 PolarHBondContact O-N 3.1Å
984	T	85.6	Confident	91.1	Very high	7 Å²	7	27 Å²	27	4%	0.043	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-0.8	174.3	66.2	0	0	0	0	113.8	Y980 V982 Q986	Y980-T984 HydrophobicContact CE1-CG2 4.43Å; Y980-T984 HydrophobicContact CE2-CG2 4.28Å; Y980-T984 WeakPolarHBondContact O-CB 3.28Å; Y980-T984 WeakPolarHBondContact O-CG2 3.42Å; Y980-T984 PolarHBondContact O-N 3.3Å; Y980-T984 PolarHBondContact O-OG1 3.25Å; V982-T984 VanDerWaalsContact C-N 3.32Å; V982-T984 PolarHBondContact O-N 3.45Å; T984-Q986 PolarHBondContact O-N 3.42Å; T984-Q986 PolarHBondContact OG1-NE2 3.38Å
985	Q	87	Confident	91	Very high	15 Å²	15	26.6 Å²	26.6	7%	0.07	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	33.1	-177.5	-58.8	-171.2	-23	0	0	114.7	E797 V831 E981 V982 Y987	E797-Q985 PolarHBondContact OE2-NE2 2.87Å; V831-Q985 HydrophobicContact CG1-CG 4.1Å; V831-Q985 HydrophobicContact CG2-CB 4.15Å; V831-Q985 HydrophobicContact CG2-CG 3.92Å; E981-Q985 PolarHBondContact O-N 3.31Å; V982-Q985 PolarHBondContact O-N 2.77Å; Q985-Y987 HydrophobicContact CB-CE1 4.48Å; Q985-Y987 HydrophobicContact CB-CE2 3.97Å; Q985-Y987 WeakPolarHBondContact CG-OH 3.48Å; Q985-Y987 WeakPolarHBondContact O-CE2 3.5Å
986	Q	86.7	Confident	90.8	Very high	10 Å²	10	26.8 Å²	26.8	5%	0.047	13%	0.128	C	C	.	.			trans	-89.6	-30.2	174.4	-74	176.4	74.3	0	0	111.9	E981 T984 L988	E981-Q986 PolarHBondContact O-N 3.14Å; E981-Q986 VanDerWaalsContact OE2-CB 3.22Å; E981-Q986 WeakPolarHBondContact OE2-CB 3.24Å; T984-Q986 PolarHBondContact O-N 3.42Å; T984-Q986 PolarHBondContact OG1-NE2 3.38Å; Q986-L988 PolarHBondContact O-N 2.99Å; Q986-L988 VanDerWaalsContact O-N 3.07Å
987	Y	90.6	Very high	90.9	Very high	72 Å²	72	29.7 Å²	29.7	28%	0.282	14%	0.14	S	C	.	.			trans	52.9	24.7	175.7	-44	-63.2	0	0	0	115.4	W631 E797 E981 Q985 F989	W631-Y987 AromaticContact CE2-CD1 3.79Å; W631-Y987 AromaticContact CE2-CE1 3.73Å; W631-Y987 AromaticContact CH2-CD1 3.9Å; W631-Y987 HydrophobicContact CH2-CD1 3.9Å; W631-Y987 HydrophobicContact CH2-CE1 4.45Å; W631-Y987 HydrophobicContact CH2-CG 4.18Å; W631-Y987 AromaticContact CZ2-CD1 3.28Å; W631-Y987 HydrophobicContact CZ2-CD1 3.28Å; W631-Y987 AromaticContact CZ2-CE1 3.43Å; W631-Y987 HydrophobicContact CZ2-CE1 3.43Å; W631-Y987 VanDerWaalsContact CZ2-CE1 3.43Å; W631-Y987 AromaticContact CZ2-CG 3.9Å; W631-Y987 HydrophobicContact CZ2-CG 3.9Å; W631-Y987 AromaticContact NE1-CE1 3.66Å; E797-Y987 WeakPolarHBondContact OE1-CE1 3.18Å; E797-Y987 PolarHBondContact OE1-OH 2.97Å; E797-Y987 VanDerWaalsContact OE1-OH 3.04Å; E797-Y987 PolarHBondContact OE2-OH 2.95Å; E981-Y987 PolarHBondContact O-N 3.5Å; Q985-Y987 HydrophobicContact CB-CE1 4.48Å; Q985-Y987 HydrophobicContact CB-CE2 3.97Å; Q985-Y987 WeakPolarHBondContact CG-OH 3.48Å; Q985-Y987 WeakPolarHBondContact O-CE2 3.5Å; Y987-F989 WeakPolarHBondContact O-CD2 3.05Å; Y987-F989 PolarHBondContact O-N 3.15Å
988	L	91.3	Very high	90.9	Very high	10 Å²	10	28 Å²	28	5%	0.052	14%	0.138	C	C	.	.			trans	-94.7	65.7	-177.2	-167.7	72.9	0	0	0	110.4	L870 E981 Q986 D990 R991 R994 I1089	L870-L988 HydrophobicContact CD1-CD2 4.15Å; L870-L988 HydrophobicContact CD2-CD2 3.65Å; L870-L988 HydrophobicContact CG-CD2 4.41Å; E981-L988 WeakPolarHBondContact OE2-CA 3.41Å; E981-L988 WeakPolarHBondContact OE2-CB 3.41Å; E981-L988 PolarHBondContact OE2-N 3.12Å; Q986-L988 PolarHBondContact O-N 2.99Å; Q986-L988 VanDerWaalsContact O-N 3.07Å; L988-D990 WeakPolarHBondContact CD1-OD1 3.42Å; L988-D990 PolarHBondContact O-N 3.34Å; L988-R991 HydrophobicContact CD2-CB 3.93Å; L988-R991 HydrophobicContact CD2-CG 4.21Å; L988-R991 HydrophobicContact CG-CB 4.07Å; L988-R991 WeakPolarHBondContact O-CB 3.43Å; L988-R991 PolarHBondContact O-N 2.87Å; L988-R994 VanDerWaalsContact CD1-CZ 3.49Å; L988-I1089 HydrophobicContact CD2-CD1 3.94Å
989	F	92.8	Very high	90.7	Very high	18 Å²	18	28 Å²	28	8%	0.079	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-24.2	-174.9	-54.7	-72.3	0	0	0	113.9	F618 P619 W631 N978 E981 V982 Y987 R991	F618-F989 HydrophobicContact CB-CB 3.72Å; F618-F989 HydrophobicContact CB-CD2 4.3Å; F618-F989 HydrophobicContact CB-CG 4.18Å; F618-F989 HydrophobicContact CD1-CB 3.42Å; F618-F989 VanDerWaalsContact CD1-CB 3.42Å; F618-F989 HydrophobicContact CE1-CB 4.22Å; F618-F989 VanDerWaalsContact CE1-O 3.27Å; F618-F989 WeakPolarHBondContact CE1-O 3.28Å; F618-F989 HydrophobicContact CG-CB 3.69Å; P619-F989 HydrophobicContact CB-CE1 4.05Å; P619-F989 HydrophobicContact CB-CE2 4.42Å; P619-F989 HydrophobicContact CB-CZ 3.98Å; P619-F989 HydrophobicContact CG-CD1 3.88Å; P619-F989 HydrophobicContact CG-CE1 3.71Å; P619-F989 HydrophobicContact CG-CG 4.45Å; P619-F989 HydrophobicContact CG-CZ 4.16Å; W631-F989 HydrophobicContact CD2-CZ 4.26Å; W631-F989 AromaticContact CE3-CE2 3.93Å; W631-F989 HydrophobicContact CE3-CE2 3.93Å; W631-F989 AromaticContact CE3-CZ 3.84Å; W631-F989 HydrophobicContact CE3-CZ 3.84Å; W631-F989 HydrophobicContact CH2-CE2 4.17Å; W631-F989 HydrophobicContact CH2-CZ 4.49Å; W631-F989 AromaticContact CZ3-CE2 3.62Å; W631-F989 HydrophobicContact CZ3-CE2 3.62Å; W631-F989 AromaticContact CZ3-CZ 3.98Å; W631-F989 HydrophobicContact CZ3-CZ 3.98Å; N978-F989 HydrophobicContact CB-CD1 4.36Å; N978-F989 HydrophobicContact CB-CE1 4.42Å; E981-F989 HydrophobicContact CB-CD1 3.82Å; E981-F989 HydrophobicContact CB-CE1 3.73Å; E981-F989 HydrophobicContact CB-CZ 4.46Å; E981-F989 HydrophobicContact CG-CD1 4.15Å; V982-F989 HydrophobicContact CG2-CE1 3.96Å; V982-F989 HydrophobicContact CG2-CZ 3.93Å; Y987-F989 WeakPolarHBondContact O-CD2 3.05Å; Y987-F989 PolarHBondContact O-N 3.15Å; F989-R991 VanDerWaalsContact C-N 3.31Å
990	D	92.1	Very high	90.5	Very high	45 Å²	45	32.5 Å²	32.5	24%	0.241	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	16	175.1	67.1	-26.9	0	0	0	113.6	F618 L988 L992 S993 R994	F618-D990 HydrophobicContact CE1-CB 4.38Å; F618-D990 HydrophobicContact CE2-CB 4.03Å; F618-D990 HydrophobicContact CZ-CB 3.79Å; L988-D990 WeakPolarHBondContact CD1-OD1 3.42Å; L988-D990 PolarHBondContact O-N 3.34Å; D990-L992 PolarHBondContact O-N 3.13Å; D990-S993 PolarHBondContact O-N 3.14Å; D990-R994 VanDerWaalsContact CG-NE 3.26Å; D990-R994 PolarHBondContact O-N 2.89Å; D990-R994 IonicContact OD1-CZ 3.65Å; D990-R994 IonicContact OD1-NE 3.28Å; D990-R994 PolarHBondContact OD1-NE 2.81Å; D990-R994 IonicContact OD1-NH2 3.55Å; D990-R994 PolarHBondContact OD1-NH2 3.03Å; D990-R994 VanDerWaalsContact OD1-NH2 3.14Å; D990-R994 IonicContact OD2-CZ 2.72Å; D990-R994 IonicContact OD2-NE 2.9Å; D990-R994 PolarHBondContact OD2-NE 2.86Å; D990-R994 IonicContact OD2-NH2 3.81Å; D990-R994 PolarHBondContact OD2-NH2 2.82Å
991	R	90.3	Very high	90.5	Very high	13 Å²	13	38 Å²	38	5%	0.049	19%	0.188	C	C	.	.	H	α-helix	trans	-48	-51.6	-176.9	175	-177.5	-56.3	-78.5	-3.6	113.8	L870 E981 L988 F989 S993 R994 E995	L870-R991 HydrophobicContact CD2-CG 4.12Å; E981-R991 VanDerWaalsContact CD-NH2 3.3Å; E981-R991 IonicContact OE1-CZ 3.54Å; E981-R991 IonicContact OE1-NE 3.53Å; E981-R991 PolarHBondContact OE1-NE 3.41Å; E981-R991 IonicContact OE1-NH2 2.63Å; E981-R991 PolarHBondContact OE1-NH2 2.79Å; E981-R991 IonicContact OE2-CZ 2.87Å; E981-R991 IonicContact OE2-NH2 3.88Å; E981-R991 PolarHBondContact OE2-NH2 2.99Å; L988-R991 HydrophobicContact CD2-CB 3.93Å; L988-R991 HydrophobicContact CD2-CG 4.21Å; L988-R991 HydrophobicContact CG-CB 4.07Å; L988-R991 WeakPolarHBondContact O-CB 3.43Å; L988-R991 PolarHBondContact O-N 2.87Å; F989-R991 VanDerWaalsContact C-N 3.31Å; R991-S993 VanDerWaalsContact C-N 3.35Å; R991-S993 PolarHBondContact O-N 2.92Å; R991-R994 PolarHBondContact O-N 2.88Å; R991-R994 VanDerWaalsContact O-N 3.09Å; R991-E995 WeakPolarHBondContact CD-OE1 3.41Å; R991-E995 VanDerWaalsContact CG-CD 3.5Å; R991-E995 HydrophobicContact CG-CG 4.26Å; R991-E995 WeakPolarHBondContact CG-OE1 3.48Å; R991-E995 IonicContact NH1-OE1 2.69Å; R991-E995 WeakPolarHBondContact O-CG 3.36Å; R991-E995 PolarHBondContact O-N 2.95Å
992	L	90.3	Very high	90.5	Very high	27 Å²	27	38.8 Å²	38.8	14%	0.141	19%	0.192	C	C	.	.	H	α-helix	trans	-59.6	-46.1	-174.2	-65.2	178	0	0	0	111.2	K964 D990 R994 E995 V996	K964-L992 HydrophobicContact CB-CD2 4.41Å; K964-L992 HydrophobicContact CG-CD2 4.25Å; D990-L992 PolarHBondContact O-N 3.13Å; L992-R994 VanDerWaalsContact C-N 3.29Å; L992-R994 PolarHBondContact O-N 2.89Å; L992-E995 PolarHBondContact O-N 3.16Å; L992-E995 VanDerWaalsContact O-N 3.15Å; L992-V996 WeakPolarHBondContact O-CG2 3.34Å; L992-V996 PolarHBondContact O-N 3.31Å
993	S	90.7	Very high	90.4	Very high	75 Å²	75	40.5 Å²	40.5	52%	0.524	20%	0.204	S	C	.	.	H	α-helix	trans	-60.5	-37.3	176.1	-47.4	0	0	0	0	112.3	D990 R991 E997	D990-S993 PolarHBondContact O-N 3.14Å; R991-S993 VanDerWaalsContact C-N 3.35Å; R991-S993 PolarHBondContact O-N 2.92Å; S993-E997 WeakPolarHBondContact O-CG 3.25Å; S993-E997 PolarHBondContact O-N 3.31Å
994	R	92.1	Very high	90.6	Very high	96 Å²	96	42.1 Å²	42.1	36%	0.362	21%	0.208	S	C	.	.	H	α-helix	trans	-72.2	-34.7	175.3	-61.4	-173	-171.1	-166.9	11	113.1	L870 L988 D990 R991 L992 V998	L870-R994 HydrophobicContact CD1-CB 3.84Å; L988-R994 VanDerWaalsContact CD1-CZ 3.49Å; D990-R994 VanDerWaalsContact CG-NE 3.26Å; D990-R994 PolarHBondContact O-N 2.89Å; D990-R994 IonicContact OD1-CZ 3.65Å; D990-R994 IonicContact OD1-NE 3.28Å; D990-R994 PolarHBondContact OD1-NE 2.81Å; D990-R994 IonicContact OD1-NH2 3.55Å; D990-R994 PolarHBondContact OD1-NH2 3.03Å; D990-R994 VanDerWaalsContact OD1-NH2 3.14Å; D990-R994 IonicContact OD2-CZ 2.72Å; D990-R994 IonicContact OD2-NE 2.9Å; D990-R994 PolarHBondContact OD2-NE 2.86Å; D990-R994 IonicContact OD2-NH2 3.81Å; D990-R994 PolarHBondContact OD2-NH2 2.82Å; R991-R994 PolarHBondContact O-N 2.88Å; R991-R994 VanDerWaalsContact O-N 3.09Å; L992-R994 VanDerWaalsContact C-N 3.29Å; L992-R994 PolarHBondContact O-N 2.89Å; R994-V998 VanDerWaalsContact O-CG2 3.27Å; R994-V998 WeakPolarHBondContact O-CG2 3.34Å; R994-V998 PolarHBondContact O-N 2.85Å
995	E	91.1	Very high	90.9	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.009	23%	0.228	C	C	.	.	H	α-helix	trans	-69	-38.6	175.3	-74.4	169	-170	0	0	111.3	L870 H873 A874 K964 R991 L992 V998 L999	L870-E995 HydrophobicContact CB-CG 4.27Å; L870-E995 HydrophobicContact CD2-CG 3.94Å; H873-E995 IonicContact CD2-OE1 3.24Å; H873-E995 PolarHBondContact CD2-OE1 3.14Å; H873-E995 VanDerWaalsContact CD2-OE1 3.29Å; H873-E995 IonicContact CD2-OE2 3.03Å; A874-E995 HydrophobicContact CB-CB 4.48Å; K964-E995 HydrophobicContact CD-CB 3.95Å; K964-E995 IonicContact NZ-OE2 3.66Å; K964-E995 PolarHBondContact NZ-OE2 3.41Å; R991-E995 WeakPolarHBondContact CD-OE1 3.41Å; R991-E995 VanDerWaalsContact CG-CD 3.5Å; R991-E995 HydrophobicContact CG-CG 4.26Å; R991-E995 WeakPolarHBondContact CG-OE1 3.48Å; R991-E995 IonicContact NH1-OE1 2.69Å; R991-E995 WeakPolarHBondContact O-CG 3.36Å; R991-E995 PolarHBondContact O-N 2.95Å; L992-E995 PolarHBondContact O-N 3.16Å; L992-E995 VanDerWaalsContact O-N 3.15Å; E995-V998 PolarHBondContact O-N 2.77Å; E995-L999 WeakPolarHBondContact O-CG 3.33Å; E995-L999 PolarHBondContact O-N 3.01Å
996	V	90.8	Very high	91	Very high	4 Å²	4	48.9 Å²	48.9	2%	0.024	24%	0.239	C	C	.	.	H	α-helix	trans	-58	-48.1	171.4	163.3	0	0	0	0	112	I961 K964 E965 L992 V998 L999 K1000	I961-V996 HydrophobicContact CG2-CG1 4Å; I961-V996 HydrophobicContact CG2-CG2 4.47Å; K964-V996 HydrophobicContact CB-CG2 3.54Å; K964-V996 HydrophobicContact CD-CG2 4.38Å; E965-V996 HydrophobicContact CG-CG1 4.06Å; E965-V996 HydrophobicContact CG-CG2 3.8Å; E965-V996 WeakPolarHBondContact OE1-CG1 3.16Å; L992-V996 WeakPolarHBondContact O-CG2 3.34Å; L992-V996 PolarHBondContact O-N 3.31Å; V996-V998 PolarHBondContact O-N 3.13Å; V996-L999 PolarHBondContact O-N 3.3Å; V996-K1000 HydrophobicContact CG1-CD 4.49Å; V996-K1000 VanDerWaalsContact CG1-CE 3.47Å; V996-K1000 WeakPolarHBondContact O-CG 3.27Å; V996-K1000 PolarHBondContact O-N 3.18Å
997	E	92.8	Very high	91.3	Very high	112 Å²	112	48.6 Å²	48.6	52%	0.523	24%	0.238	S	C	.	.	H	α-helix	trans	-63.2	-32.3	176.5	-68	-59.2	104.3	0	0	112.4	S993 K1000	S993-E997 WeakPolarHBondContact O-CG 3.25Å; S993-E997 PolarHBondContact O-N 3.31Å; E997-K1000 IonicContact OE1-NZ 2.66Å; E997-K1000 PolarHBondContact OE1-NZ 3.46Å
998	V	91.6	Very high	91.3	Very high	38 Å²	38	46.1 Å²	46.1	23%	0.23	23%	0.23	C	C	.	.	H	α-helix	trans	-74.9	-35.3	176.6	172.1	0	0	0	0	112.2	R871 R994 E995 V996 K1000 D1001 F1002	R871-V998 HydrophobicContact CB-CG1 3.81Å; R871-V998 HydrophobicContact CG-CG1 4.07Å; R994-V998 VanDerWaalsContact O-CG2 3.27Å; R994-V998 WeakPolarHBondContact O-CG2 3.34Å; R994-V998 PolarHBondContact O-N 2.85Å; E995-V998 PolarHBondContact O-N 2.77Å; V996-V998 PolarHBondContact O-N 3.13Å; V998-K1000 VanDerWaalsContact C-N 3.33Å; V998-K1000 PolarHBondContact O-N 3.17Å; V998-D1001 PolarHBondContact O-N 2.89Å; V998-F1002 HydrophobicContact CG1-CE1 3.53Å; V998-F1002 HydrophobicContact CG1-CZ 3.75Å; V998-F1002 WeakPolarHBondContact O-CD1 3.37Å; V998-F1002 WeakPolarHBondContact O-CE1 3.39Å
999	L	91.3	Very high	91.3	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-63.5	-36.1	175	-77.1	165.8	0	0	0	112.5	A874 V957 L960 I961 K964 E995 V996 D1001 F1002	A874-L999 HydrophobicContact CB-CD2 3.98Å; A874-L999 HydrophobicContact CB-CG 4Å; V957-L999 HydrophobicContact CG1-CB 4.46Å; L960-L999 HydrophobicContact CD2-CD1 4.02Å; L960-L999 HydrophobicContact CD2-CD2 3.81Å; L960-L999 HydrophobicContact CG-CD1 3.88Å; I961-L999 HydrophobicContact CD1-CB 3.99Å; I961-L999 HydrophobicContact CG1-CB 3.7Å; I961-L999 HydrophobicContact CG1-CD1 3.93Å; I961-L999 HydrophobicContact CG1-CG 4.45Å; K964-L999 HydrophobicContact CD-CD1 3.75Å; E995-L999 WeakPolarHBondContact O-CG 3.33Å; E995-L999 PolarHBondContact O-N 3.01Å; V996-L999 PolarHBondContact O-N 3.3Å; L999-D1001 PolarHBondContact O-N 2.9Å; L999-F1002 HydrophobicContact CD2-CD2 3.85Å; L999-F1002 HydrophobicContact CD2-CE2 3.73Å; L999-F1002 WeakPolarHBondContact O-CB 3.43Å; L999-F1002 PolarHBondContact O-N 2.84Å; L999-F1002 VanDerWaalsContact O-N 3.14Å
1000	K	90.6	Very high	91.2	Very high	103 Å²	103	49.6 Å²	49.6	45%	0.448	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-23.5	177.8	-69.8	168.5	-170.5	168.7	0	113.5	I961 E965 V996 E997 V998	I961-K1000 HydrophobicContact CD1-CG 3.73Å; E965-K1000 IonicContact OE1-NZ 3.59Å; V996-K1000 HydrophobicContact CG1-CD 4.49Å; V996-K1000 VanDerWaalsContact CG1-CE 3.47Å; V996-K1000 WeakPolarHBondContact O-CG 3.27Å; V996-K1000 PolarHBondContact O-N 3.18Å; E997-K1000 IonicContact OE1-NZ 2.66Å; E997-K1000 PolarHBondContact OE1-NZ 3.46Å; V998-K1000 VanDerWaalsContact C-N 3.33Å; V998-K1000 PolarHBondContact O-N 3.17Å
1001	D	91.1	Very high	91.2	Very high	134 Å²	134	47.5 Å²	47.5	72%	0.717	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.8	2.6	179.4	-83	-13.8	0	0	0	113.8	V998 L999	V998-D1001 PolarHBondContact O-N 2.89Å; L999-D1001 PolarHBondContact O-N 2.9Å
1002	F	90.8	Very high	91.2	Very high	24 Å²	24	51.3 Å²	51.3	11%	0.105	26%	0.264	C	S	.	.			trans	-81.1	146.4	-176.6	-73.7	3.1	0	0	0	113.3	R871 A874 L875 L878 F953 V998 L999	R871-F1002 HydrophobicContact CG-CE1 3.8Å; R871-F1002 HydrophobicContact CG-CZ 4Å; A874-F1002 HydrophobicContact CB-CE2 4.3Å; A874-F1002 HydrophobicContact CB-CZ 4.31Å; L875-F1002 HydrophobicContact CB-CE2 3.69Å; L875-F1002 HydrophobicContact CB-CZ 3.89Å; L875-F1002 HydrophobicContact CG-CE2 4.37Å; L878-F1002 HydrophobicContact CD2-CD2 4.22Å; F953-F1002 HydrophobicContact CZ-CB 4.26Å; V998-F1002 HydrophobicContact CG1-CE1 3.53Å; V998-F1002 HydrophobicContact CG1-CZ 3.75Å; V998-F1002 WeakPolarHBondContact O-CD1 3.37Å; V998-F1002 WeakPolarHBondContact O-CE1 3.39Å; L999-F1002 HydrophobicContact CD2-CD2 3.85Å; L999-F1002 HydrophobicContact CD2-CE2 3.73Å; L999-F1002 WeakPolarHBondContact O-CB 3.43Å; L999-F1002 PolarHBondContact O-N 2.84Å; L999-F1002 VanDerWaalsContact O-N 3.14Å
1003	S	90.9	Very high	91.1	Very high	37 Å²	37	55.6 Å²	55.6	26%	0.259	28%	0.283	S	S	.	.			trans	-128.1	149.7	171.5	81.8	0	0	0	0	110.6	E1005 Q1006 L1007	S1003-E1005 VanDerWaalsContact C-N 3.26Å; S1003-E1005 PolarHBondContact O-N 2.71Å; S1003-E1005 PolarHBondContact OG-OE2 2.94Å; S1003-Q1006 WeakPolarHBondContact O-CB 3.35Å; S1003-Q1006 PolarHBondContact O-N 3.14Å; S1003-Q1006 WeakPolarHBondContact OG-CG 3.46Å; S1003-Q1006 PolarHBondContact OG-NE2 3.48Å; S1003-L1007 PolarHBondContact O-N 2.83Å
1004	R	92.9	Very high	91	Very high	43 Å²	43	53 Å²	53	16%	0.162	26%	0.263	C	S	.	.	H	α-helix	trans	-55.6	-38.8	-178	-169.3	-175.8	60.8	94.4	25.2	112.8	A946 L948 E950 F953 Q1006 L1007 V1008	A946-R1004 PolarHBondContact O-NH1 2.66Å; L948-R1004 WeakPolarHBondContact O-CD 3.46Å; L948-R1004 PolarHBondContact O-NE 2.98Å; L948-R1004 PolarHBondContact O-NH1 2.9Å; E950-R1004 IonicContact OE1-CZ 2.6Å; E950-R1004 IonicContact OE1-NE 3.43Å; E950-R1004 PolarHBondContact OE1-NE 3.24Å; E950-R1004 IonicContact OE1-NH2 3.72Å; F953-R1004 HydrophobicContact CB-CB 4.4Å; F953-R1004 HydrophobicContact CB-CG 4.34Å; F953-R1004 HydrophobicContact CD1-CB 3.97Å; F953-R1004 HydrophobicContact CD2-CB 4.12Å; F953-R1004 HydrophobicContact CD2-CG 4.19Å; F953-R1004 HydrophobicContact CE1-CB 4.31Å; F953-R1004 HydrophobicContact CE2-CB 4.43Å; F953-R1004 HydrophobicContact CG-CB 3.88Å; F953-R1004 HydrophobicContact CG-CG 4.16Å; R1004-Q1006 VanDerWaalsContact C-N 3.26Å; R1004-Q1006 PolarHBondContact O-N 3.34Å; R1004-L1007 PolarHBondContact O-N 3.47Å; R1004-V1008 WeakPolarHBondContact O-CG2 3.3Å; R1004-V1008 PolarHBondContact O-N 3.15Å
1005	E	91.2	Very high	90.8	Very high	100 Å²	100	50 Å²	50	47%	0.467	25%	0.252	S	S	.	.	H	α-helix	trans	-61.4	-32.7	176.4	-66.4	66.2	-142.9	0	0	112.9	S1003 S1009	S1003-E1005 VanDerWaalsContact C-N 3.26Å; S1003-E1005 PolarHBondContact O-N 2.71Å; S1003-E1005 PolarHBondContact OG-OE2 2.94Å; E1005-S1009 WeakPolarHBondContact O-CB 3.45Å; E1005-S1009 PolarHBondContact O-N 3.24Å
1006	Q	90.1	Very high	90.2	Very high	64 Å²	64	51.2 Å²	51.2	30%	0.299	27%	0.266	S	S	.	.	H	α-helix	trans	-70	-44.1	177.3	-64	171.7	28.7	0	0	110.3	S1003 R1004 S1009 W1010	S1003-Q1006 WeakPolarHBondContact O-CB 3.35Å; S1003-Q1006 PolarHBondContact O-N 3.14Å; S1003-Q1006 WeakPolarHBondContact OG-CG 3.46Å; S1003-Q1006 PolarHBondContact OG-NE2 3.48Å; R1004-Q1006 VanDerWaalsContact C-N 3.26Å; R1004-Q1006 PolarHBondContact O-N 3.34Å; Q1006-S1009 PolarHBondContact O-N 3.41Å; Q1006-W1010 WeakPolarHBondContact O-CB 3.42Å; Q1006-W1010 PolarHBondContact O-N 3.37Å
1007	L	91.3	Very high	89.3	Confident	4 Å²	4	59.3 Å²	59.3	2%	0.021	31%	0.309	C	S	.	.	H	α-helix	trans	-62.7	-49.3	177.3	-179.9	60.5	0	0	0	111.4	L875 L878 M879 L882 L945 F953 S1003 R1004 S1009 W1010 F1011	L875-L1007 HydrophobicContact CD2-CD1 3.74Å; L875-L1007 HydrophobicContact CG-CD1 4.06Å; L878-L1007 HydrophobicContact CD2-CD2 4.36Å; L878-L1007 HydrophobicContact CG-CD2 4.5Å; M879-L1007 HydrophobicContact CB-CD1 3.8Å; M879-L1007 HydrophobicContact CG-CD1 4.07Å; L882-L1007 HydrophobicContact CD1-CD2 3.54Å; L945-L1007 HydrophobicContact CD1-CD2 3.9Å; L945-L1007 HydrophobicContact CD1-CG 4.27Å; L945-L1007 HydrophobicContact CD2-CG 4.33Å; F953-L1007 HydrophobicContact CD2-CD2 4.3Å; F953-L1007 HydrophobicContact CE2-CB 4.37Å; F953-L1007 HydrophobicContact CE2-CD2 3.79Å; S1003-L1007 PolarHBondContact O-N 2.83Å; R1004-L1007 PolarHBondContact O-N 3.47Å; L1007-S1009 PolarHBondContact O-N 3.43Å; L1007-W1010 PolarHBondContact O-N 2.82Å; L1007-F1011 PolarHBondContact O-N 3.3Å
1008	V	92.3	Very high	88.2	Confident	20 Å²	20	57.8 Å²	57.8	12%	0.121	31%	0.31	C	S	.	.	H	α-helix	trans	-59.1	-48.3	175.4	174.2	0	0	0	0	111.2	L945 A946 R1004 W1010 F1011 L1012	L945-V1008 HydrophobicContact CD2-CG2 4.3Å; L945-V1008 HydrophobicContact CG-CG2 3.92Å; L945-V1008 WeakPolarHBondContact O-CG2 3.35Å; A946-V1008 HydrophobicContact CB-CG1 4.38Å; R1004-V1008 WeakPolarHBondContact O-CG2 3.3Å; R1004-V1008 PolarHBondContact O-N 3.15Å; V1008-W1010 VanDerWaalsContact C-N 3.26Å; V1008-W1010 PolarHBondContact O-N 2.89Å; V1008-F1011 PolarHBondContact O-N 2.77Å; V1008-L1012 HydrophobicContact CG1-CD1 3.79Å; V1008-L1012 HydrophobicContact CG1-CG 4.39Å; V1008-L1012 WeakPolarHBondContact O-CB 3.3Å; V1008-L1012 VanDerWaalsContact O-CG 3.31Å; V1008-L1012 WeakPolarHBondContact O-CG 3.18Å; V1008-L1012 PolarHBondContact O-N 3.38Å
1009	S	91.1	Very high	88	Confident	81 Å²	81	56.7 Å²	56.7	57%	0.566	30%	0.304	S	S	*	.	H	α-helix	trans	-64.9	-31.2	178.9	-176.7	0	0	0	0	112.6	E1005 Q1006 L1007 H1013	E1005-S1009 WeakPolarHBondContact O-CB 3.45Å; E1005-S1009 PolarHBondContact O-N 3.24Å; Q1006-S1009 PolarHBondContact O-N 3.41Å; L1007-S1009 PolarHBondContact O-N 3.43Å; S1009-H1013 WeakPolarHBondContact O-CB 3.32Å; S1009-H1013 PolarHBondContact O-N 2.98Å
1010	W	90.6	Very high	88.2	Confident	20 Å²	20	58.7 Å²	58.7	8%	0.076	31%	0.312	C	S	.	.	H	α-helix	trans	-71.7	-48	176.9	-174.8	104.4	0	0	0	110.6	E872 L875 M876 M879 F914 Q1006 L1007 V1008 H1013 H1014	E872-W1010 PolarHBondContact OE2-NE1 3.36Å; L875-W1010 HydrophobicContact CD1-CB 4.19Å; L875-W1010 HydrophobicContact CD1-CG 4.09Å; L875-W1010 HydrophobicContact CD2-CB 3.92Å; L875-W1010 HydrophobicContact CD2-CD2 3.39Å; L875-W1010 HydrophobicContact CD2-CE3 3.76Å; L875-W1010 HydrophobicContact CD2-CG 3.44Å; L875-W1010 VanDerWaalsContact CD2-CG 3.44Å; L875-W1010 HydrophobicContact CG-CG 4.46Å; M876-W1010 HydrophobicContact CE-CH2 3.6Å; M876-W1010 HydrophobicContact CE-CZ2 3.52Å; M876-W1010 HydrophobicContact CG-CH2 4.28Å; M879-W1010 HydrophobicContact CE-CZ3 4.35Å; M879-W1010 HydrophobicContact SD-CE3 3.98Å; M879-W1010 HydrophobicContact SD-CZ3 3.51Å; M879-W1010 VanDerWaalsContact SD-CZ3 3.51Å; F914-W1010 HydrophobicContact CD1-CH2 4.04Å; F914-W1010 HydrophobicContact CD1-CZ3 4.16Å; F914-W1010 HydrophobicContact CE1-CH2 4.19Å; F914-W1010 HydrophobicContact CE1-CZ3 4.02Å; Q1006-W1010 WeakPolarHBondContact O-CB 3.42Å; Q1006-W1010 PolarHBondContact O-N 3.37Å; L1007-W1010 PolarHBondContact O-N 2.82Å; V1008-W1010 VanDerWaalsContact C-N 3.26Å; V1008-W1010 PolarHBondContact O-N 2.89Å; W1010-H1013 WeakPolarHBondContact O-CB 3.39Å; W1010-H1013 PolarHBondContact O-N 3.15Å; W1010-H1014 AromaticContact CD1-CE1 3.81Å; W1010-H1014 AromaticContact CD2-CE1 3.74Å; W1010-H1014 AromaticContact CD2-ND1 3.35Å; W1010-H1014 VanDerWaalsContact CD2-ND1 3.35Å; W1010-H1014 AromaticContact CE2-CE1 3.22Å; W1010-H1014 AromaticContact CE2-ND1 3.26Å; W1010-H1014 VanDerWaalsContact CE2-ND1 3.26Å; W1010-H1014 AromaticContact CE3-ND1 3.69Å; W1010-H1014 AromaticContact CG-ND1 3.86Å; W1010-H1014 HydrophobicContact CH2-CB 4.2Å; W1010-H1014 AromaticContact CH2-CG 3.8Å; W1010-H1014 AromaticContact CH2-ND1 3.72Å; W1010-H1014 AromaticContact CZ2-CE1 3.48Å; W1010-H1014 VanDerWaalsContact CZ2-CE1 3.48Å; W1010-H1014 WeakPolarHBondContact CZ2-CE1 3.35Å; W1010-H1014 AromaticContact CZ2-CG 3.89Å; W1010-H1014 AromaticContact CZ2-ND1 3.47Å; W1010-H1014 WeakPolarHBondContact CZ2-ND1 3.45Å; W1010-H1014 AromaticContact CZ2-NE2 3.95Å; W1010-H1014 HydrophobicContact CZ3-CB 4.14Å; W1010-H1014 AromaticContact CZ3-ND1 3.84Å; W1010-H1014 AromaticContact NE1-CE1 3.32Å; W1010-H1014 PolarHBondContact NE1-CE1 3.32Å; W1010-H1014 VanDerWaalsContact NE1-CE1 3.32Å; W1010-H1014 AromaticContact NE1-ND1 3.77Å; W1010-H1014 PolarHBondContact O-N 2.77Å; W1010-H1014 VanDerWaalsContact O-N 3.14Å; W1010-H1014 PolarHBondContact O-ND1 3.17Å
1011	F	92.3	Very high	88.4	Confident	1 Å²	1	54.2 Å²	54.2	0%	0.004	29%	0.292	C	S	.	.	H	α-helix	trans	-59.4	-52	178.6	175.6	-102.1	0	0	0	111.2	M879 M883 F914 L938 F941 G942 L945 L1007 V1008 H1013 H1014 H1015	M879-F1011 HydrophobicContact SD-CB 4.47Å; M879-F1011 HydrophobicContact SD-CD2 3.69Å; M883-F1011 HydrophobicContact CE-CD2 4.3Å; M883-F1011 HydrophobicContact CE-CE2 3.77Å; F914-F1011 HydrophobicContact CE2-CE2 4.43Å; F914-F1011 HydrophobicContact CZ-CD2 4.39Å; F914-F1011 HydrophobicContact CZ-CE2 4.12Å; L938-F1011 HydrophobicContact CB-CZ 4.39Å; L938-F1011 HydrophobicContact CD2-CE2 4.14Å; L938-F1011 HydrophobicContact CD2-CZ 4.16Å; L938-F1011 WeakPolarHBondContact O-CZ 3.33Å; F941-F1011 HydrophobicContact CD1-CD2 4.44Å; F941-F1011 HydrophobicContact CD1-CE1 4.31Å; F941-F1011 AromaticContact CD1-CE2 3.91Å; F941-F1011 HydrophobicContact CD1-CE2 3.91Å; F941-F1011 AromaticContact CD1-CZ 3.84Å; F941-F1011 HydrophobicContact CD1-CZ 3.84Å; F941-F1011 HydrophobicContact CE1-CD2 4.36Å; F941-F1011 HydrophobicContact CE1-CE2 4.22Å; G942-F1011 VanDerWaalsContact CA-CE1 3.48Å; L945-F1011 HydrophobicContact CD2-CB 3.87Å; L945-F1011 HydrophobicContact CD2-CD1 4.28Å; L945-F1011 HydrophobicContact CD2-CG 4.1Å; L1007-F1011 PolarHBondContact O-N 3.3Å; V1008-F1011 PolarHBondContact O-N 2.77Å; F1011-H1013 PolarHBondContact O-N 3.21Å; F1011-H1014 PolarHBondContact O-N 2.92Å; F1011-H1015 HydrophobicContact CE1-CB 4.3Å; F1011-H1015 HydrophobicContact CE2-CB 4.44Å; F1011-H1015 HydrophobicContact CZ-CB 4.16Å; F1011-H1015 WeakPolarHBondContact O-CB 3.37Å; F1011-H1015 PolarHBondContact O-N 2.74Å
1012	L	90.6	Very high	88.6	Confident	93 Å²	93	47.8 Å²	47.8	49%	0.487	26%	0.258	S	S	.	.	H	α-helix	trans	-62.7	-27.4	179.4	-65.4	175.7	0	0	0	113.1	V1008 G1016	V1008-L1012 HydrophobicContact CG1-CD1 3.79Å; V1008-L1012 HydrophobicContact CG1-CG 4.39Å; V1008-L1012 WeakPolarHBondContact O-CB 3.3Å; V1008-L1012 VanDerWaalsContact O-CG 3.31Å; V1008-L1012 WeakPolarHBondContact O-CG 3.18Å; V1008-L1012 PolarHBondContact O-N 3.38Å; L1012-G1016 PolarHBondContact O-N 3.23Å; L1012-G1016 VanDerWaalsContact O-N 3.16Å
1013	H	88.3	Confident	88.9	Confident	116 Å²	116	46.7 Å²	46.7	54%	0.537	25%	0.253	S	S	.	.	H	α-helix	trans	-70.3	-39.4	173.3	-171.4	78.8	0	0	0	112.5	S1009 W1010 F1011	S1009-H1013 WeakPolarHBondContact O-CB 3.32Å; S1009-H1013 PolarHBondContact O-N 2.98Å; W1010-H1013 WeakPolarHBondContact O-CB 3.39Å; W1010-H1013 PolarHBondContact O-N 3.15Å; F1011-H1013 PolarHBondContact O-N 3.21Å
1014	H	87.9	Confident	89.2	Confident	22 Å²	22	45 Å²	45	10%	0.102	24%	0.241	C	C	.	.	H	α-helix	trans	-86.5	-25.7	-175.8	-70.2	92.8	0	0	0	113.8	S865 F914 W1010 F1011 S1019	S865-H1014 PolarHBondContact OG-NE2 3.13Å; F914-H1014 HydrophobicContact CE1-CB 4.21Å; W1010-H1014 AromaticContact CD1-CE1 3.81Å; W1010-H1014 AromaticContact CD2-CE1 3.74Å; W1010-H1014 AromaticContact CD2-ND1 3.35Å; W1010-H1014 VanDerWaalsContact CD2-ND1 3.35Å; W1010-H1014 AromaticContact CE2-CE1 3.22Å; W1010-H1014 AromaticContact CE2-ND1 3.26Å; W1010-H1014 VanDerWaalsContact CE2-ND1 3.26Å; W1010-H1014 AromaticContact CE3-ND1 3.69Å; W1010-H1014 AromaticContact CG-ND1 3.86Å; W1010-H1014 HydrophobicContact CH2-CB 4.2Å; W1010-H1014 AromaticContact CH2-CG 3.8Å; W1010-H1014 AromaticContact CH2-ND1 3.72Å; W1010-H1014 AromaticContact CZ2-CE1 3.48Å; W1010-H1014 VanDerWaalsContact CZ2-CE1 3.48Å; W1010-H1014 WeakPolarHBondContact CZ2-CE1 3.35Å; W1010-H1014 AromaticContact CZ2-CG 3.89Å; W1010-H1014 AromaticContact CZ2-ND1 3.47Å; W1010-H1014 WeakPolarHBondContact CZ2-ND1 3.45Å; W1010-H1014 AromaticContact CZ2-NE2 3.95Å; W1010-H1014 HydrophobicContact CZ3-CB 4.14Å; W1010-H1014 AromaticContact CZ3-ND1 3.84Å; W1010-H1014 AromaticContact NE1-CE1 3.32Å; W1010-H1014 PolarHBondContact NE1-CE1 3.32Å; W1010-H1014 VanDerWaalsContact NE1-CE1 3.32Å; W1010-H1014 AromaticContact NE1-ND1 3.77Å; W1010-H1014 PolarHBondContact O-N 2.77Å; W1010-H1014 VanDerWaalsContact O-N 3.14Å; W1010-H1014 PolarHBondContact O-ND1 3.17Å; F1011-H1014 PolarHBondContact O-N 2.92Å; H1014-S1019 WeakPolarHBondContact O-CB 3.18Å
1015	H	87.2	Confident	89.4	Confident	31 Å²	31	43 Å²	43	14%	0.144	23%	0.233	C	C	.	.	H	α-helix	trans	-85.7	-38.9	174.3	-177.9	-113.6	0	0	0	113.1	Y863 E935 F1011 S1019	Y863-H1015 AromaticContact CE1-CD2 3.96Å; E935-H1015 IonicContact OE2-CD2 2.64Å; E935-H1015 IonicContact OE2-CE1 2.94Å; E935-H1015 IonicContact OE2-NE2 2.9Å; E935-H1015 PolarHBondContact OE2-NE2 3.2Å; F1011-H1015 HydrophobicContact CE1-CB 4.3Å; F1011-H1015 HydrophobicContact CE2-CB 4.44Å; F1011-H1015 HydrophobicContact CZ-CB 4.16Å; F1011-H1015 WeakPolarHBondContact O-CB 3.37Å; F1011-H1015 PolarHBondContact O-N 2.74Å; H1015-S1019 PolarHBondContact O-OG 3.21Å
1016	G	79.3	Confident	89.7	Confident	28 Å²	28	38.2 Å²	38.2	29%	0.289	21%	0.211	S	C	.	.	S	Bend	trans	-64.4	179	-170.1	0	0	0	0	0	116.7	L1012 C1018 S1019	L1012-G1016 PolarHBondContact O-N 3.23Å; L1012-G1016 VanDerWaalsContact O-N 3.16Å; G1016-C1018 PolarHBondContact O-N 3.16Å; G1016-S1019 WeakPolarHBondContact O-CB 3.12Å; G1016-S1019 PolarHBondContact O-N 2.69Å; G1016-S1019 PolarHBondContact O-OG 3.12Å; G1016-S1019 VanDerWaalsContact O-OG 3.12Å
1017	N	71	Confident	89.9	Confident	174 Å²	174	35.1 Å²	35.1	93%	0.93	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.3	0.2	-170.4	-67.7	-30.9	0	0	0	118.7
1018	C	70.8	Confident	89.9	Confident	80 Å²	80	35 Å²	35	54%	0.541	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.3	17.7	175	-73.2	0	0	0	0	112.5	R840 G1016	R840-C1018 WeakPolarHBondContact CB-O 3.32Å; R840-C1018 WeakPolarHBondContact CD-O 3.41Å; R840-C1018 VanDerWaalsContact CG-O 3.3Å; R840-C1018 WeakPolarHBondContact CG-O 3.48Å; G1016-C1018 PolarHBondContact O-N 3.16Å
1019	S	87.2	Confident	89.8	Confident	16 Å²	16	35.9 Å²	35.9	11%	0.112	20%	0.198	C	C	.	.			trans	-63.7	155.1	179.7	56.7	0	0	0	0	113.2	R840 R841 H1014 H1015 G1016 K1021	R840-S1019 CarbonylContact C-O 3.53Å; R840-S1019 WeakPolarHBondContact CA-O 3.39Å; R841-S1019 PolarHBondContact N-O 2.85Å; R841-S1019 VanDerWaalsContact N-O 3.12Å; H1014-S1019 WeakPolarHBondContact O-CB 3.18Å; H1015-S1019 PolarHBondContact O-OG 3.21Å; G1016-S1019 WeakPolarHBondContact O-CB 3.12Å; G1016-S1019 PolarHBondContact O-N 2.69Å; G1016-S1019 PolarHBondContact O-OG 3.12Å; G1016-S1019 VanDerWaalsContact O-OG 3.12Å; S1019-K1021 PolarHBondContact O-N 3.44Å
1020	R	94.4	Very high	89.7	Confident	42 Å²	42	32.5 Å²	32.5	16%	0.158	18%	0.176	C	C	.	.			trans	-97	71.9	170.2	-65.6	-169	-178.6	101.4	-21.7	109.2	D837 L838 R840 Q864 S865	D837-R1020 IonicContact OD1-CZ 3.06Å; D837-R1020 IonicContact OD1-NE 3.1Å; D837-R1020 PolarHBondContact OD1-NE 3.4Å; D837-R1020 IonicContact OD1-NH2 3.19Å; D837-R1020 PolarHBondContact OD1-NH2 2.8Å; D837-R1020 IonicContact OD2-NH2 3.89Å; L838-R1020 HydrophobicContact CB-CB 4.03Å; L838-R1020 HydrophobicContact CB-CG 4.39Å; L838-R1020 WeakPolarHBondContact O-CD 3.36Å; L838-R1020 VanDerWaalsContact O-CG 3.31Å; L838-R1020 WeakPolarHBondContact O-CG 3.4Å; L838-R1020 PolarHBondContact O-NE 3.36Å; R840-R1020 HydrophobicContact CG-CG 4.36Å; Q864-R1020 HydrophobicContact CB-CB 3.91Å; Q864-R1020 PolarHBondContact N-O 3.25Å; Q864-R1020 WeakPolarHBondContact O-CB 3.18Å; Q864-R1020 VanDerWaalsContact OE1-CD 3.26Å; S865-R1020 PolarHBondContact O-NH1 2.7Å
1021	K	94.9	Very high	89.6	Confident	8 Å²	8	35 Å²	35	4%	0.035	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	131.1	-174.7	-176.1	-174.1	173.4	-163	0	111.7	H842 H843 V861 Y862 Y863 E931 E935 S1019 S1023	H842-K1021 HydrophobicContact CB-CD 4.26Å; H842-K1021 PolarHBondContact CE1-NZ 2.72Å; H842-K1021 VanDerWaalsContact CE1-NZ 3.26Å; H842-K1021 WeakPolarHBondContact NE2-CE 2.94Å; H842-K1021 PolarHBondContact NE2-NZ 3.26Å; H843-K1021 PolarHBondContact N-O 2.64Å; V861-K1021 HydrophobicContact CG1-CD 4.33Å; V861-K1021 HydrophobicContact CG1-CG 4.31Å; Y862-K1021 WeakPolarHBondContact O-CA 3.09Å; Y863-K1021 HydrophobicContact CD1-CB 4.19Å; Y863-K1021 HydrophobicContact CD1-CG 4.27Å; Y863-K1021 HydrophobicContact CE1-CB 4.1Å; Y863-K1021 HydrophobicContact CE1-CD 3.95Å; Y863-K1021 HydrophobicContact CE1-CG 3.83Å; E931-K1021 WeakPolarHBondContact OE1-CE 3.15Å; E931-K1021 IonicContact OE1-NZ 2.71Å; E931-K1021 PolarHBondContact OE1-NZ 3.37Å; E935-K1021 WeakPolarHBondContact OE1-CD 3.2Å; E935-K1021 WeakPolarHBondContact OE1-CE 3.32Å; E935-K1021 IonicContact OE1-NZ 2.76Å; E935-K1021 PolarHBondContact OE1-NZ 2.84Å; S1019-K1021 PolarHBondContact O-N 3.44Å; K1021-S1023 VanDerWaalsContact CE-OG 3.32Å; K1021-S1023 WeakPolarHBondContact CE-OG 3.45Å
1022	L	96.7	Very high	89.5	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	119.9	170.8	170.3	64.3	0	0	0	109.1	I759 L760 L838 H843 Y862 V1024 I1071	I759-L1022 HydrophobicContact CB-CD2 4.19Å; I759-L1022 HydrophobicContact CD1-CD1 4.16Å; I759-L1022 HydrophobicContact CD1-CD2 4.43Å; I759-L1022 HydrophobicContact CG2-CD1 4.23Å; I759-L1022 HydrophobicContact CG2-CD2 3.67Å; L760-L1022 HydrophobicContact CD2-CD2 4.15Å; L760-L1022 HydrophobicContact CG-CD2 4.39Å; L838-L1022 HydrophobicContact CD1-CB 3.99Å; H843-L1022 HydrophobicContact CB-CD1 4.25Å; H843-L1022 WeakPolarHBondContact O-CA 3.34Å; Y862-L1022 HydrophobicContact CD1-CB 4.29Å; Y862-L1022 HydrophobicContact CD1-CD2 4.48Å; Y862-L1022 PolarHBondContact N-O 3.4Å; Y862-L1022 PolarHBondContact O-N 2.96Å; L1022-V1024 HydrophobicContact CD1-CG2 4.34Å; L1022-V1024 HydrophobicContact CD2-CG2 4.3Å; L1022-V1024 HydrophobicContact CG-CG2 4.1Å; L1022-I1071 HydrophobicContact CD1-CD1 3.9Å
1023	S	96.9	Very high	89.5	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	130	171	-46.5	0	0	0	0	109.9	H842 H843 C845 T860 E931 K1021	H842-S1023 PolarHBondContact NE2-OG 3.22Å; H843-S1023 PolarHBondContact O-N 2.73Å; C845-S1023 PolarHBondContact N-O 2.78Å; T860-S1023 WeakPolarHBondContact O-CA 3.48Å; E931-S1023 WeakPolarHBondContact OE1-CB 3.43Å; E931-S1023 PolarHBondContact OE1-OG 3.44Å; K1021-S1023 VanDerWaalsContact CE-OG 3.32Å; K1021-S1023 WeakPolarHBondContact CE-OG 3.45Å
1024	V	97.6	Very high	89.4	Confident	2 Å²	2	37.6 Å²	37.6	1%	0.012	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	118.8	176.3	-179.7	0	0	0	0	108	V755 R756 I759 C845 T860 L1022	V755-V1024 HydrophobicContact CB-CG1 4.06Å; V755-V1024 HydrophobicContact CG1-CG1 3.69Å; R756-V1024 HydrophobicContact CB-CG2 4.19Å; I759-V1024 HydrophobicContact CD1-CG2 4.38Å; C845-V1024 WeakPolarHBondContact O-CA 3.14Å; T860-V1024 PolarHBondContact N-O 2.72Å; T860-V1024 PolarHBondContact O-N 2.9Å; L1022-V1024 HydrophobicContact CD1-CG2 4.34Å; L1022-V1024 HydrophobicContact CD2-CG2 4.3Å; L1022-V1024 HydrophobicContact CG-CG2 4.1Å
1025	H	96.9	Very high	89.2	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	120.8	-179	-56.4	-162.8	0	0	0	108.5	C845 R846 V847 E858 S927 E931 V1027	C845-H1025 PolarHBondContact O-N 3.37Å; R846-H1025 HydrophobicContact CB-CB 4.43Å; R846-H1025 HydrophobicContact CG-CB 4.1Å; V847-H1025 PolarHBondContact N-O 2.89Å; E858-H1025 CarbonylContact O-C 3.25Å; E858-H1025 WeakPolarHBondContact O-CA 3.31Å; S927-H1025 PolarHBondContact O-CE1 2.81Å; E931-H1025 IonicContact OE2-CE1 2.77Å; E931-H1025 PolarHBondContact OE2-CE1 3.24Å; E931-H1025 IonicContact OE2-NE2 2.75Å; E931-H1025 PolarHBondContact OE2-NE2 2.9Å; E931-H1025 VanDerWaalsContact OE2-NE2 3.12Å; H1025-V1027 HydrophobicContact CB-CG2 4.05Å
1026	V	96.1	Very high	88.4	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	112.5	165.1	-178.7	0	0	0	0	107.4	H748 L751 G752 V847 S857 E858	H748-V1026 HydrophobicContact CB-CB 4.36Å; H748-V1026 HydrophobicContact CB-CG1 3.88Å; L751-V1026 HydrophobicContact CB-CG2 4.37Å; L751-V1026 HydrophobicContact CD2-CG1 3.96Å; L751-V1026 HydrophobicContact CD2-CG2 4.5Å; L751-V1026 HydrophobicContact CG-CG1 4.49Å; L751-V1026 HydrophobicContact CG-CG2 4.21Å; G752-V1026 VanDerWaalsContact CA-CG2 3.5Å; V847-V1026 HydrophobicContact CG2-CG2 4.05Å; S857-V1026 CarbonylContact C-O 3.53Å; S857-V1026 WeakPolarHBondContact CA-O 3.38Å; S857-V1026 VanDerWaalsContact CB-O 3.32Å; S857-V1026 WeakPolarHBondContact CB-O 3.22Å; E858-V1026 HydrophobicContact CB-CB 4.26Å; E858-V1026 PolarHBondContact N-O 2.94Å; E858-V1026 PolarHBondContact O-N 2.55Å
1027	V	94.6	Very high	87.4	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	110.1	-166.1	-176.2	0	0	0	0	110.5	V847 K848 S849 H1025 E1033 L1058	V847-V1027 PolarHBondContact O-N 2.91Å; K848-V1027 HydrophobicContact CD-CB 4.42Å; K848-V1027 HydrophobicContact CD-CG1 4.41Å; K848-V1027 WeakPolarHBondContact CD-O 3.39Å; S849-V1027 WeakPolarHBondContact CB-O 3.09Å; S849-V1027 PolarHBondContact N-O 2.97Å; H1025-V1027 HydrophobicContact CB-CG2 4.05Å; V1027-E1033 HydrophobicContact CG1-CB 4.03Å; V1027-E1033 HydrophobicContact CG1-CG 3.44Å; V1027-E1033 VanDerWaalsContact CG1-CG 3.44Å; V1027-L1058 HydrophobicContact CB-CD1 3.71Å; V1027-L1058 HydrophobicContact CG1-CD1 4Å; V1027-L1058 HydrophobicContact CG2-CD1 3.8Å
1028	G	92	Very high	86.4	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.246	C	C	.	.			trans	-65.2	178.3	173.6	0	0	0	0	0	113.7	K848 N856 S857	K848-G1028 PolarHBondContact NZ-O 3.12Å; N856-G1028 WeakPolarHBondContact O-CA 3.48Å; N856-G1028 PolarHBondContact O-N 2.94Å; S857-G1028 WeakPolarHBondContact OG-CA 3.17Å; S857-G1028 PolarHBondContact OG-N 3.43Å
1029	F	89.9	Confident	84.7	Confident	40 Å²	40	49 Å²	49	18%	0.175	26%	0.259	C	S	.	.	S	Bend	trans	-98.5	121.1	-175.9	-72.4	-98	0	0	0	112.3	K848 S849 N851 R852 D854 P855 D1035	K848-F1029 HydrophobicContact CD-CE1 4.4Å; K848-F1029 HydrophobicContact CD-CE2 4.47Å; K848-F1029 HydrophobicContact CD-CZ 4.19Å; K848-F1029 VanDerWaalsContact CE-CZ 3.49Å; K848-F1029 HydrophobicContact CG-CE1 4.23Å; K848-F1029 HydrophobicContact CG-CE2 4.03Å; K848-F1029 HydrophobicContact CG-CZ 3.64Å; S849-F1029 WeakPolarHBondContact O-CE2 3.19Å; N851-F1029 WeakPolarHBondContact O-CD2 3.36Å; N851-F1029 WeakPolarHBondContact O-CE2 3.44Å; R852-F1029 HydrophobicContact CB-CE1 4.42Å; R852-F1029 HydrophobicContact CB-CE2 4.33Å; R852-F1029 HydrophobicContact CB-CZ 4.27Å; R852-F1029 HydrophobicContact CG-CE1 4.22Å; R852-F1029 HydrophobicContact CG-CE2 4.24Å; R852-F1029 HydrophobicContact CG-CZ 3.86Å; D854-F1029 PolarHBondContact O-N 2.95Å; P855-F1029 WeakPolarHBondContact CA-O 3.35Å; F1029-D1035 WeakPolarHBondContact CA-OD2 3.36Å
1030	G	89.6	Confident	82.2	Confident	9 Å²	9	55.5 Å²	55.5	9%	0.093	29%	0.292	C	S	.	.	S	Bend	trans	-179.1	170.5	-177.8	0	0	0	0	0	115.5	A922 E1032 E1033 D1035	A922-G1030 CarbonylContact O-C 3.58Å; A922-G1030 VanDerWaalsContact O-C 3.25Å; A922-G1030 VanDerWaalsContact O-CA 3.27Å; A922-G1030 WeakPolarHBondContact O-CA 3.28Å; G1030-E1032 VanDerWaalsContact C-N 3.33Å; G1030-E1032 PolarHBondContact O-N 2.88Å; G1030-E1033 PolarHBondContact O-N 2.84Å; G1030-D1035 PolarHBondContact N-OD2 3.1Å; G1030-D1035 WeakPolarHBondContact O-CB 3.38Å; G1030-D1035 PolarHBondContact O-N 3.22Å; G1030-D1035 VanDerWaalsContact O-N 3.14Å
1031	V	88.6	Confident	79.4	Confident	73 Å²	73	59.2 Å²	59.2	44%	0.442	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-67.3	-31.1	-171.4	-65.9	0	0	0	0	113.1	A922 E1033 N1034 P1037	A922-V1031 PolarHBondContact O-N 2.98Å; V1031-E1033 VanDerWaalsContact C-N 3.27Å; V1031-E1033 PolarHBondContact O-N 2.82Å; V1031-N1034 PolarHBondContact O-N 2.58Å; V1031-N1034 VanDerWaalsContact O-N 3.14Å; V1031-P1037 HydrophobicContact CG1-CB 4.22Å
1032	E	89.9	Confident	76.4	Confident	96 Å²	96	64.4 Å²	64.4	45%	0.449	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-74.5	-19.7	178.9	-61.2	-54.2	125.3	0	0	112.3	A922 G1030 N1034	A922-E1032 WeakPolarHBondContact O-CB 3.32Å; A922-E1032 PolarHBondContact O-N 3.46Å; A922-E1032 VanDerWaalsContact O-N 3.14Å; G1030-E1032 VanDerWaalsContact C-N 3.33Å; G1030-E1032 PolarHBondContact O-N 2.88Å; E1032-N1034 VanDerWaalsContact C-N 3.32Å
1033	E	89.7	Confident	73.1	Confident	25 Å²	25	66.8 Å²	66.8	12%	0.117	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-95.3	14.9	171.6	-69.7	-72.8	178.8	0	0	112.6	R846 A922 S927 V1027 G1030 V1031 D1035	R846-E1033 IonicContact CZ-OE2 3.23Å; R846-E1033 VanDerWaalsContact NH2-CD 3.3Å; R846-E1033 IonicContact NH2-OE1 3.94Å; R846-E1033 PolarHBondContact NH2-OE1 3.39Å; R846-E1033 VanDerWaalsContact NH2-OE1 3.1Å; R846-E1033 IonicContact NH2-OE2 3.14Å; R846-E1033 PolarHBondContact NH2-OE2 2.71Å; A922-E1033 HydrophobicContact CB-CG 4.1Å; S927-E1033 WeakPolarHBondContact CB-OE1 3.33Å; S927-E1033 PolarHBondContact N-OE1 3.3Å; S927-E1033 PolarHBondContact OG-OE1 2.89Å; V1027-E1033 HydrophobicContact CG1-CB 4.03Å; V1027-E1033 HydrophobicContact CG1-CG 3.44Å; V1027-E1033 VanDerWaalsContact CG1-CG 3.44Å; G1030-E1033 PolarHBondContact O-N 2.84Å; V1031-E1033 VanDerWaalsContact C-N 3.27Å; V1031-E1033 PolarHBondContact O-N 2.82Å; E1033-D1035 VanDerWaalsContact C-N 3.28Å; E1033-D1035 PolarHBondContact O-N 2.76Å
1034	N	85.8	Confident	70.4	Confident	143 Å²	143	72.7 Å²	72.7	77%	0.765	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.2	20.3	178.2	-54	-99.7	0	0	0	114.9	V1031 E1032	V1031-N1034 PolarHBondContact O-N 2.58Å; V1031-N1034 VanDerWaalsContact O-N 3.14Å; E1032-N1034 VanDerWaalsContact C-N 3.32Å
1035	D	83.5	Confident	67.5	Low	39 Å²	39	75.4 Å²	75.4	21%	0.209	44%	0.441	C	S	.	.	P	Polyproline II helix	trans	-70.1	145.4	169.8	-65.2	-61.7	0	0	0	110.7	K848 F1029 G1030 E1033	K848-D1035 IonicContact NZ-OD1 3.87Å; K848-D1035 PolarHBondContact NZ-OD1 3Å; K848-D1035 IonicContact NZ-OD2 3.94Å; K848-D1035 PolarHBondContact NZ-OD2 3.41Å; F1029-D1035 WeakPolarHBondContact CA-OD2 3.36Å; G1030-D1035 PolarHBondContact N-OD2 3.1Å; G1030-D1035 WeakPolarHBondContact O-CB 3.38Å; G1030-D1035 PolarHBondContact O-N 3.22Å; G1030-D1035 VanDerWaalsContact O-N 3.14Å; E1033-D1035 VanDerWaalsContact C-N 3.28Å; E1033-D1035 PolarHBondContact O-N 2.76Å
1036	P	72.1	Confident	65	Low	111 Å²	111	79.4 Å²	79.4	72%	0.721	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-63.6	131.5	175.3	26.7	-33.5	0	0	0	110	H1038	P1036-H1038 PolarHBondContact O-N 3.12Å
1037	P	57	Low	63	Low	96 Å²	96	82.3 Å²	82.3	62%	0.623	49%	0.487	S	S	*	.	P	Polyproline II helix	trans	-59	134.3	178.6	24.9	-34.2	0	0	0	109.6	V1031 Q1039	V1031-P1037 HydrophobicContact CG1-CB 4.22Å; P1037-Q1039 PolarHBondContact O-N 2.77Å
1038	H	50.5	Low	61.2	Low	155 Å²	155	84.4 Å²	84.4	72%	0.718	50%	0.502	S	S	*	.			trans	-47.3	100.6	-172.7	-70.7	-77.8	0	0	0	112.1	P1036 N1040	P1036-H1038 PolarHBondContact O-N 3.12Å; H1038-N1040 PolarHBondContact O-N 3.14Å
1039	Q	34.2	Very low	59.7	Low	175 Å²	175	86 Å²	86	82%	0.818	51%	0.508	S	S	*	.			trans	-69.9	129.5	159.3	-70.4	-172.1	0.6	0	0	106.8	P1037 L1041	P1037-Q1039 PolarHBondContact O-N 2.77Å; Q1039-L1041 PolarHBondContact O-N 3.43Å
1040	N	35.5	Very low	58.3	Low	151 Å²	151	84.9 Å²	84.9	81%	0.807	51%	0.508	S	S	*	.			trans	-46.5	114.8	167.5	-75.6	-26.8	0	0	0	108.7	H1038 S1042	H1038-N1040 PolarHBondContact O-N 3.14Å; N1040-S1042 PolarHBondContact O-N 2.9Å
1041	L	36.1	Very low	57.3	Low	120 Å²	120	88.1 Å²	88.1	63%	0.628	53%	0.527	S	S	*	.			trans	-74.5	56.9	-179.6	-78	164.5	0	0	0	110.7	Q1039 G1043 A1045	Q1039-L1041 PolarHBondContact O-N 3.43Å; L1041-G1043 PolarHBondContact O-N 3.23Å; L1041-A1045 HydrophobicContact CB-CB 4.32Å; L1041-A1045 HydrophobicContact CD1-CB 4.5Å
1042	S	30.4	Very low	56.8	Low	117 Å²	117	85 Å²	85	82%	0.818	51%	0.508	S	S	*	.			trans	-75.1	69.4	171.7	63.9	0	0	0	0	110	N1040	N1040-S1042 PolarHBondContact O-N 2.9Å
1043	G	29.3	Very low	56.2	Low	50 Å²	50	82.3 Å²	82.3	52%	0.515	50%	0.5	S	S	.	.	S	Bend	trans	164.4	106.2	178.8	0	0	0	0	0	111	L1041 A1045	L1041-G1043 PolarHBondContact O-N 3.23Å; G1043-A1045 PolarHBondContact O-N 2.89Å
1044	S	40.2	Very low	56	Low	125 Å²	125	86.8 Å²	86.8	87%	0.874	52%	0.521	S	S	*	.	S	Bend	trans	19.9	77	176.2	62.9	0	0	0	0	114.4
1045	A	36.1	Very low	56.3	Low	59 Å²	59	81.3 Å²	81.3	49%	0.488	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-58.2	134.7	-173.3	0	0	0	0	0	111.3	L1041 G1043	L1041-A1045 HydrophobicContact CB-CB 4.32Å; L1041-A1045 HydrophobicContact CD1-CB 4.5Å; G1043-A1045 PolarHBondContact O-N 2.89Å
1046	P	44	Very low	56.7	Low	84 Å²	84	83 Å²	83	55%	0.545	50%	0.503	S	S	.	.	P	Polyproline II helix	trans	-64.3	147.9	156.8	31	-32.5	0	0	0	108.2
1047	S	54.6	Low	57.7	Low	60 Å²	60	80.8 Å²	80.8	42%	0.42	48%	0.483	S	S	.	.	P	Polyproline II helix	trans	-46.8	146.3	178.6	-179.9	0	0	0	0	112.8	R852 Y1049	R852-S1047 PolarHBondContact NH1-O 2.87Å; S1047-Y1049 PolarHBondContact O-N 3.39Å
1048	S	56.6	Low	59.4	Low	44 Å²	44	77.9 Å²	77.9	31%	0.308	46%	0.462	S	S	.	.	S	Bend	trans	-55.8	-12.8	176.8	48.2	0	0	0	0	114.8	R852	R852-S1048 WeakPolarHBondContact CB-O 3.35Å; R852-S1048 PolarHBondContact N-O 2.99Å
1049	Y	60.9	Low	61.1	Low	34 Å²	34	75 Å²	75	13%	0.133	46%	0.456	C	S	.	.	B	Isolated β-bridge	trans	-108.1	153.9	-177.5	-48.9	-76.3	0	0	0	113.4	V373 F742 I746 R852 S1047	V373-Y1049 PolarHBondContact O-OH 2.79Å; F742-Y1049 HydrophobicContact CE1-CD1 4.24Å; F742-Y1049 HydrophobicContact CE1-CE1 4.12Å; F742-Y1049 HydrophobicContact CE1-CE2 4.46Å; F742-Y1049 HydrophobicContact CE1-CG 4.48Å; F742-Y1049 HydrophobicContact CE2-CG 4.26Å; F742-Y1049 AromaticContact CZ-CD1 3.6Å; F742-Y1049 HydrophobicContact CZ-CD1 3.6Å; F742-Y1049 AromaticContact CZ-CD2 3.72Å; F742-Y1049 HydrophobicContact CZ-CD2 3.72Å; F742-Y1049 AromaticContact CZ-CE1 3.92Å; F742-Y1049 HydrophobicContact CZ-CE1 3.92Å; F742-Y1049 HydrophobicContact CZ-CE2 4.02Å; F742-Y1049 AromaticContact CZ-CG 3.51Å; F742-Y1049 HydrophobicContact CZ-CG 3.51Å; I746-Y1049 HydrophobicContact CD1-CE1 4.32Å; I746-Y1049 HydrophobicContact CG2-CD1 4.01Å; I746-Y1049 HydrophobicContact CG2-CE1 4.34Å; R852-Y1049 PolarHBondContact NH1-O 2.98Å; S1047-Y1049 PolarHBondContact O-N 3.39Å
1050	G	59.5	Low	63.4	Low	17 Å²	17	67.9 Å²	67.9	18%	0.175	43%	0.428	C	S	.	.			trans	-75.7	178.9	166.8	0	0	0	0	0	113	L850 V1052	L850-G1050 PolarHBondContact O-N 3.02Å; G1050-V1052 VanDerWaalsContact C-N 3.3Å; G1050-V1052 WeakPolarHBondContact O-CG2 3.39Å; G1050-V1052 PolarHBondContact O-N 3.47Å
1051	P	69.1	Low	65.3	Low	77 Å²	77	63.4 Å²	63.4	50%	0.5	41%	0.412	S	S	.	.			trans	-71.2	85.7	168.4	31.6	-33.9	0	0	0	110.2	S1053 E1054	P1051-S1053 PolarHBondContact O-N 3.12Å; P1051-E1054 PolarHBondContact O-N 2.86Å
1052	V	78.8	Confident	67.2	Low	6 Å²	6	59 Å²	59	4%	0.036	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-12.2	-178.1	-174.8	0	0	0	0	113.8	F742 L745 L850 G1050 E1054	F742-V1052 HydrophobicContact CD2-CB 4.06Å; F742-V1052 HydrophobicContact CD2-CG1 3.97Å; F742-V1052 HydrophobicContact CD2-CG2 3.8Å; F742-V1052 HydrophobicContact CE2-CB 4.17Å; F742-V1052 HydrophobicContact CE2-CG1 4.44Å; F742-V1052 HydrophobicContact CE2-CG2 3.41Å; F742-V1052 VanDerWaalsContact CE2-CG2 3.41Å; F742-V1052 HydrophobicContact CZ-CG2 4.34Å; L745-V1052 HydrophobicContact CB-CG1 3.65Å; L745-V1052 HydrophobicContact CD1-CG1 3.62Å; L745-V1052 HydrophobicContact CG-CG1 4.29Å; L850-V1052 HydrophobicContact CB-CG2 4.28Å; L850-V1052 HydrophobicContact CD1-CG1 4.12Å; G1050-V1052 VanDerWaalsContact C-N 3.3Å; G1050-V1052 WeakPolarHBondContact O-CG2 3.39Å; G1050-V1052 PolarHBondContact O-N 3.47Å; V1052-E1054 VanDerWaalsContact C-N 3.3Å; V1052-E1054 PolarHBondContact O-N 3.4Å
1053	S	77.2	Confident	69.1	Low	41 Å²	41	58.7 Å²	58.7	29%	0.287	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-14.8	170.9	54.8	0	0	0	0	115	V768 R772 P1051	V768-S1053 WeakPolarHBondContact CG1-O 3.47Å; R772-S1053 PolarHBondContact NE-O 2.82Å; R772-S1053 PolarHBondContact NH2-O 3.47Å; P1051-S1053 PolarHBondContact O-N 3.12Å
1054	E	85.6	Confident	71	Confident	118 Å²	118	58.7 Å²	58.7	55%	0.551	38%	0.383	S	S	*	.	S	Bend	trans	-142.8	138.4	-175.5	-54.7	-165.6	157.5	0	0	113.2	P1051 V1052	P1051-E1054 PolarHBondContact O-N 2.86Å; V1052-E1054 VanDerWaalsContact C-N 3.3Å; V1052-E1054 PolarHBondContact O-N 3.4Å
1055	L	90.7	Very high	72.8	Confident	29 Å²	29	53.2 Å²	53.2	15%	0.152	34%	0.344	C	S	.	.			trans	-77.6	131.2	173.1	-60.8	179.3	0	0	0	110.5	L751 V755 V768 V847 F1057	L751-L1055 HydrophobicContact CD1-CD2 3.91Å; V755-L1055 HydrophobicContact CG2-CD1 4.04Å; V768-L1055 HydrophobicContact CG2-CD2 3.92Å; V768-L1055 HydrophobicContact CG2-CG 4.25Å; V847-L1055 HydrophobicContact CG1-CB 4.35Å; L1055-F1057 HydrophobicContact CB-CE2 4.07Å; L1055-F1057 HydrophobicContact CB-CZ 4.29Å; L1055-F1057 HydrophobicContact CD1-CZ 4.35Å
1056	T	92.1	Very high	74.6	Confident	74 Å²	74	58.8 Å²	58.8	45%	0.454	35%	0.352	S	S	.	.			trans	-97.7	102.4	174.8	-60.8	0	0	0	0	109.6	V847 K848	V847-T1056 CarbonylContact C-O 3.35Å; V847-T1056 WeakPolarHBondContact CA-O 2.96Å; K848-T1056 HydrophobicContact CB-CG2 4.42Å; K848-T1056 PolarHBondContact N-O 3.21Å
1057	F	93.3	Very high	76.3	Confident	65 Å²	65	59.6 Å²	59.6	29%	0.285	36%	0.36	S	S	.	.	B	Isolated β-bridge	trans	-74.7	138.7	178.5	-64.5	-88.2	0	0	0	112	R846 V847 L1055 I1071 T1072 I1074	R846-F1057 WeakPolarHBondContact O-CA 3.46Å; V847-F1057 HydrophobicContact CG1-CD1 3.89Å; V847-F1057 HydrophobicContact CG1-CE1 3.93Å; L1055-F1057 HydrophobicContact CB-CE2 4.07Å; L1055-F1057 HydrophobicContact CB-CZ 4.29Å; L1055-F1057 HydrophobicContact CD1-CZ 4.35Å; F1057-I1071 WeakPolarHBondContact CD1-O 3.14Å; F1057-T1072 HydrophobicContact CB-CG2 4.38Å; F1057-I1074 HydrophobicContact CE1-CD1 4.29Å; F1057-I1074 HydrophobicContact CE1-CG1 4.37Å; F1057-I1074 HydrophobicContact CZ-CD1 4.22Å; F1057-I1074 HydrophobicContact CZ-CG1 4.34Å
1058	L	91.8	Very high	77.9	Confident	35 Å²	35	57.4 Å²	57.4	18%	0.183	35%	0.346	C	S	.	.			trans	-109.9	144.8	-177.7	-59.6	175.4	0	0	0	111.7	R846 K848 V1027	R846-L1058 HydrophobicContact CB-CB 3.93Å; R846-L1058 PolarHBondContact O-N 3.43Å; K848-L1058 HydrophobicContact CB-CD1 4.13Å; K848-L1058 HydrophobicContact CB-CD2 4.32Å; K848-L1058 HydrophobicContact CB-CG 4.35Å; K848-L1058 HydrophobicContact CD-CD1 3.95Å; V1027-L1058 HydrophobicContact CB-CD1 3.71Å; V1027-L1058 HydrophobicContact CG1-CD1 4Å; V1027-L1058 HydrophobicContact CG2-CD1 3.8Å
1059	P	88.3	Confident	79.6	Confident	93 Å²	93	57.5 Å²	57.5	60%	0.604	34%	0.344	S	S	*	.			trans	-77.6	155.4	175.6	33.5	-35.4	0	0	0	111.9	R846	R846-P1059 PolarHBondContact NH1-O 2.76Å; R846-P1059 VanDerWaalsContact NH1-O 3.12Å
1060	A	82.4	Confident	81.1	Confident	27 Å²	27	59 Å²	59	22%	0.223	35%	0.354	C	S	.	.			trans	-77.6	124.8	169.4	0	0	0	0	0	111.3	L844 E928 L1065	L844-A1060 HydrophobicContact CD2-CB 4.01Å; E928-A1060 VanDerWaalsContact OE1-CA 3.26Å; E928-A1060 WeakPolarHBondContact OE1-CA 3.38Å; A1060-L1065 HydrophobicContact CB-CB 4.18Å
1061	A	74.9	Confident	82.8	Confident	56 Å²	56	58.3 Å²	58.3	46%	0.463	35%	0.347	S	S	.	.			trans	-96	-45.8	179.4	0	0	0	0	0	112	E928 R1066	E928-A1061 PolarHBondContact OE1-N 3.35Å; E928-A1061 WeakPolarHBondContact OE2-CB 3.47Å; E928-A1061 PolarHBondContact OE2-N 2.92Å; A1061-R1066 VanDerWaalsContact O-CZ 3.31Å; A1061-R1066 PolarHBondContact O-NE 3.14Å; A1061-R1066 PolarHBondContact O-NH2 3.3Å
1062	A	76	Confident	84	Confident	27 Å²	27	58.7 Å²	58.7	22%	0.223	35%	0.348	C	S	.	.	S	Bend	trans	-62.2	138.6	-176	0	0	0	0	0	113	E928 A1064 L1065 R1066	E928-A1062 HydrophobicContact CB-CB 4.08Å; E928-A1062 WeakPolarHBondContact OE2-CB 3.37Å; E928-A1062 PolarHBondContact OE2-N 3.32Å; A1062-A1064 VanDerWaalsContact C-N 3.3Å; A1062-A1064 PolarHBondContact O-N 3.37Å; A1062-L1065 HydrophobicContact CB-CG 4.49Å; A1062-L1065 PolarHBondContact O-N 2.87Å; A1062-R1066 WeakPolarHBondContact O-CG 3.36Å; A1062-R1066 PolarHBondContact O-N 3.26Å
1063	P	70.9	Confident	84.6	Confident	112 Å²	112	62.5 Å²	62.5	73%	0.727	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-34.4	180	-27.4	35.9	0	0	0	115.3
1064	A	68.6	Low	85.4	Confident	49 Å²	49	61 Å²	61	41%	0.405	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-49.9	179	0	0	0	0	0	111.5	A1062 R1066 S1067	A1062-A1064 VanDerWaalsContact C-N 3.3Å; A1062-A1064 PolarHBondContact O-N 3.37Å; A1064-R1066 VanDerWaalsContact C-N 3.31Å; A1064-R1066 PolarHBondContact O-N 3.37Å; A1064-S1067 PolarHBondContact O-N 3.02Å; A1064-S1067 PolarHBondContact O-OG 3.47Å
1065	L	77.7	Confident	85.6	Confident	10 Å²	10	61.2 Å²	61.2	5%	0.052	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-76.1	-13.3	-175.2	-55.3	-174.9	0	0	0	114	L844 E928 E931 A1060 A1062 S1067 A1068	L844-L1065 HydrophobicContact CD2-CB 4.15Å; L844-L1065 HydrophobicContact CD2-CD1 4.39Å; E928-L1065 HydrophobicContact CB-CD1 3.67Å; E928-L1065 HydrophobicContact CG-CD1 3.71Å; E931-L1065 HydrophobicContact CG-CD2 4.21Å; E931-L1065 WeakPolarHBondContact OE2-CD1 3.39Å; E931-L1065 WeakPolarHBondContact OE2-CD2 3.47Å; A1060-L1065 HydrophobicContact CB-CB 4.18Å; A1062-L1065 HydrophobicContact CB-CG 4.49Å; A1062-L1065 PolarHBondContact O-N 2.87Å; L1065-S1067 PolarHBondContact O-N 3.01Å; L1065-S1067 VanDerWaalsContact O-N 3.14Å; L1065-A1068 VanDerWaalsContact O-CB 3.24Å; L1065-A1068 WeakPolarHBondContact O-CB 3.33Å; L1065-A1068 PolarHBondContact O-N 2.73Å
1066	R	73.6	Confident	85.7	Confident	176 Å²	176	62.5 Å²	62.5	66%	0.664	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-63.9	-14.3	171.9	-72.6	175.9	-164.7	-166.7	3.2	114.1	A1061 A1062 A1064	A1061-R1066 VanDerWaalsContact O-CZ 3.31Å; A1061-R1066 PolarHBondContact O-NE 3.14Å; A1061-R1066 PolarHBondContact O-NH2 3.3Å; A1062-R1066 WeakPolarHBondContact O-CG 3.36Å; A1062-R1066 PolarHBondContact O-N 3.26Å; A1064-R1066 VanDerWaalsContact C-N 3.31Å; A1064-R1066 PolarHBondContact O-N 3.37Å
1067	S	80.1	Confident	85.7	Confident	101 Å²	101	60.1 Å²	60.1	71%	0.706	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-81.3	-18.7	172.8	67.3	0	0	0	0	113.2	A1064 L1065	A1064-S1067 PolarHBondContact O-N 3.02Å; A1064-S1067 PolarHBondContact O-OG 3.47Å; L1065-S1067 PolarHBondContact O-N 3.01Å; L1065-S1067 VanDerWaalsContact O-N 3.14Å
1068	A	87.6	Confident	85.7	Confident	15 Å²	15	57.8 Å²	57.8	12%	0.124	34%	0.341	C	S	.	.	S	Bend	trans	-71.5	149.7	178.6	0	0	0	0	0	112.1	H842 L844 L1065 L1070	H842-A1068 HydrophobicContact CB-CB 4.28Å; H842-A1068 WeakPolarHBondContact ND1-CB 3.35Å; H842-A1068 WeakPolarHBondContact O-CA 3.3Å; L844-A1068 HydrophobicContact CB-CB 3.86Å; L844-A1068 HydrophobicContact CD2-CB 4.47Å; L1065-A1068 VanDerWaalsContact O-CB 3.24Å; L1065-A1068 WeakPolarHBondContact O-CB 3.33Å; L1065-A1068 PolarHBondContact O-N 2.73Å; A1068-L1070 PolarHBondContact O-N 3.33Å
1069	T	91.9	Very high	85.6	Confident	46 Å²	46	60.4 Å²	60.4	28%	0.282	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	104.5	171	-58.4	0	0	0	0	109.3	R841 H842 H843 L844 I1071	R841-T1069 WeakPolarHBondContact CD-OG1 3.49Å; R841-T1069 PolarHBondContact NE-OG1 3.38Å; H842-T1069 PolarHBondContact O-N 3.49Å; H843-T1069 WeakPolarHBondContact CA-O 3.44Å; L844-T1069 PolarHBondContact N-O 3.48Å; T1069-I1071 PolarHBondContact O-N 3.06Å
1070	L	93.8	Very high	85.6	Confident	64 Å²	64	60.1 Å²	60.1	34%	0.335	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	129	179.2	-168.9	72.4	0	0	0	111.5	L844 A1068 T1072	L844-L1070 HydrophobicContact CD2-CD1 4.37Å; L844-L1070 HydrophobicContact CG-CD1 4.25Å; L844-L1070 CarbonylContact O-C 3.57Å; L844-L1070 WeakPolarHBondContact O-CA 3.36Å; A1068-L1070 PolarHBondContact O-N 3.33Å; L1070-T1072 HydrophobicContact CD2-CG2 3.58Å; L1070-T1072 HydrophobicContact CG-CG2 3.83Å
1071	I	95.3	Very high	86.1	Confident	4 Å²	4	60 Å²	60	2%	0.021	36%	0.358	C	S	.	.			trans	-95.4	110.9	172.5	-58.5	172.1	0	0	0	108	I759 H843 L844 C845 L1022 F1057 T1069 I1074 F1077	I759-I1071 HydrophobicContact CD1-CD1 4.21Å; I759-I1071 HydrophobicContact CG2-CD1 4.25Å; H843-I1071 HydrophobicContact CB-CD1 3.95Å; H843-I1071 HydrophobicContact CB-CG1 4.35Å; L844-I1071 PolarHBondContact O-N 2.81Å; C845-I1071 HydrophobicContact CB-CB 4.24Å; L1022-I1071 HydrophobicContact CD1-CD1 3.9Å; F1057-I1071 WeakPolarHBondContact CD1-O 3.14Å; T1069-I1071 PolarHBondContact O-N 3.06Å; I1071-I1074 HydrophobicContact CG2-CG1 3.82Å; I1071-F1077 HydrophobicContact CD1-CD1 3.78Å; I1071-F1077 HydrophobicContact CD1-CE1 3.62Å; I1071-F1077 HydrophobicContact CD1-CE2 4.46Å; I1071-F1077 HydrophobicContact CD1-CG 4.28Å; I1071-F1077 HydrophobicContact CD1-CZ 3.98Å; I1071-F1077 HydrophobicContact CG1-CD1 4.25Å; I1071-F1077 HydrophobicContact CG1-CD2 4.34Å; I1071-F1077 HydrophobicContact CG1-CE1 4.36Å; I1071-F1077 HydrophobicContact CG1-CE2 4.45Å; I1071-F1077 HydrophobicContact CG1-CG 4.23Å; I1071-F1077 HydrophobicContact CG1-CZ 4.45Å; I1071-F1077 HydrophobicContact CG2-CB 4.27Å; I1071-F1077 HydrophobicContact CG2-CG 4.45Å
1072	T	93.1	Very high	87.1	Confident	85 Å²	85	61 Å²	61	52%	0.521	36%	0.361	S	S	.	.	S	Bend	trans	-116.4	-3	174.5	64.3	0	0	0	0	113.5	F1057 L1070	F1057-T1072 HydrophobicContact CB-CG2 4.38Å; L1070-T1072 HydrophobicContact CD2-CG2 3.58Å; L1070-T1072 HydrophobicContact CG-CG2 3.83Å
1073	D	92.3	Very high	88	Confident	86 Å²	86	62 Å²	62	46%	0.46	36%	0.362	S	S	.	.			trans	-145.8	102.6	171	-178.3	-22	0	0	0	107.6	R1075 A1076 F1077	D1073-R1075 VanDerWaalsContact C-N 3.35Å; D1073-R1075 PolarHBondContact OD1-N 2.84Å; D1073-A1076 HydrophobicContact CB-CB 3.9Å; D1073-A1076 PolarHBondContact OD1-N 3.07Å; D1073-A1076 WeakPolarHBondContact OD2-CB 3.33Å; D1073-F1077 WeakPolarHBondContact O-CB 3.5Å; D1073-F1077 PolarHBondContact O-N 3.07Å
1074	I	93.5	Very high	89	Confident	10 Å²	10	57.6 Å²	57.6	5%	0.051	33%	0.331	C	S	.	.	H	α-helix	trans	-66.9	-37.1	-174.9	-64	167.8	0	0	0	110.7	V755 L758 I759 F1057 I1071 F1077 T1078	V755-I1074 HydrophobicContact CG1-CD1 4.19Å; L758-I1074 HydrophobicContact CB-CG2 4.42Å; L758-I1074 HydrophobicContact CD2-CB 4.43Å; L758-I1074 HydrophobicContact CD2-CD1 3.97Å; L758-I1074 HydrophobicContact CD2-CG2 4.12Å; L758-I1074 HydrophobicContact CG-CG2 3.88Å; L758-I1074 WeakPolarHBondContact O-CG2 3.43Å; I759-I1074 HydrophobicContact CB-CG2 4.39Å; I759-I1074 HydrophobicContact CD1-CD1 4.33Å; I759-I1074 HydrophobicContact CD1-CG1 4.36Å; I759-I1074 HydrophobicContact CG1-CB 4.38Å; I759-I1074 HydrophobicContact CG1-CD1 4.04Å; I759-I1074 HydrophobicContact CG1-CG1 3.9Å; I759-I1074 HydrophobicContact CG1-CG2 3.62Å; F1057-I1074 HydrophobicContact CE1-CD1 4.29Å; F1057-I1074 HydrophobicContact CE1-CG1 4.37Å; F1057-I1074 HydrophobicContact CZ-CD1 4.22Å; F1057-I1074 HydrophobicContact CZ-CG1 4.34Å; I1071-I1074 HydrophobicContact CG2-CG1 3.82Å; I1074-F1077 PolarHBondContact O-N 3.14Å; I1074-T1078 HydrophobicContact CG2-CG2 4.25Å; I1074-T1078 WeakPolarHBondContact O-CG2 3.43Å; I1074-T1078 PolarHBondContact O-N 3.05Å; I1074-T1078 PolarHBondContact O-OG1 3.41Å
1075	R	90.1	Very high	90.1	Very high	121 Å²	121	59.2 Å²	59.2	46%	0.457	34%	0.338	S	S	.	.	H	α-helix	trans	-71.6	-41.6	179.6	-72.1	-172.7	177.3	-138.2	-6.6	111.7	Q769 D1073 F1077 S1079	Q769-R1075 VanDerWaalsContact CD-NH2 3.34Å; D1073-R1075 VanDerWaalsContact C-N 3.35Å; D1073-R1075 PolarHBondContact OD1-N 2.84Å; R1075-F1077 VanDerWaalsContact C-N 3.27Å; R1075-F1077 PolarHBondContact O-N 2.93Å; R1075-S1079 VanDerWaalsContact O-CB 3.26Å; R1075-S1079 WeakPolarHBondContact O-CB 3.15Å; R1075-S1079 PolarHBondContact O-N 3.46Å; R1075-S1079 VanDerWaalsContact O-N 3.08Å; R1075-S1079 PolarHBondContact O-OG 2.66Å
1076	A	92	Very high	90.4	Very high	56 Å²	56	63.8 Å²	63.8	46%	0.463	36%	0.355	S	S	.	.	H	α-helix	trans	-65.4	-32.9	175.5	0	0	0	0	0	112.1	D1073	D1073-A1076 HydrophobicContact CB-CB 3.9Å; D1073-A1076 PolarHBondContact OD1-N 3.07Å; D1073-A1076 WeakPolarHBondContact OD2-CB 3.33Å
1077	F	92.7	Very high	90.6	Very high	24 Å²	24	56.7 Å²	56.7	11%	0.105	33%	0.328	C	S	.	.	H	α-helix	trans	-67.7	-61.4	173.6	178.6	-111	0	0	0	111.4	I759 L838 H843 I1071 D1073 I1074 R1075 S1079 S1080 L1081	I759-F1077 HydrophobicContact CG2-CD1 4.26Å; I759-F1077 HydrophobicContact CG2-CE1 3.98Å; L838-F1077 HydrophobicContact CD2-CE1 4.13Å; L838-F1077 HydrophobicContact CD2-CZ 4.27Å; H843-F1077 AromaticContact CD2-CE2 3.42Å; H843-F1077 VanDerWaalsContact CD2-CE2 3.42Å; H843-F1077 WeakPolarHBondContact CD2-CE2 3.32Å; H843-F1077 AromaticContact CD2-CZ 3.43Å; H843-F1077 VanDerWaalsContact CD2-CZ 3.43Å; H843-F1077 WeakPolarHBondContact CD2-CZ 3.45Å; H843-F1077 AromaticContact CG-CZ 3.97Å; H843-F1077 AromaticContact NE2-CE2 3.67Å; H843-F1077 AromaticContact NE2-CZ 3.72Å; I1071-F1077 HydrophobicContact CD1-CD1 3.78Å; I1071-F1077 HydrophobicContact CD1-CE1 3.62Å; I1071-F1077 HydrophobicContact CD1-CE2 4.46Å; I1071-F1077 HydrophobicContact CD1-CG 4.28Å; I1071-F1077 HydrophobicContact CD1-CZ 3.98Å; I1071-F1077 HydrophobicContact CG1-CD1 4.25Å; I1071-F1077 HydrophobicContact CG1-CD2 4.34Å; I1071-F1077 HydrophobicContact CG1-CE1 4.36Å; I1071-F1077 HydrophobicContact CG1-CE2 4.45Å; I1071-F1077 HydrophobicContact CG1-CG 4.23Å; I1071-F1077 HydrophobicContact CG1-CZ 4.45Å; I1071-F1077 HydrophobicContact CG2-CB 4.27Å; I1071-F1077 HydrophobicContact CG2-CG 4.45Å; D1073-F1077 WeakPolarHBondContact O-CB 3.5Å; D1073-F1077 PolarHBondContact O-N 3.07Å; I1074-F1077 PolarHBondContact O-N 3.14Å; R1075-F1077 VanDerWaalsContact C-N 3.27Å; R1075-F1077 PolarHBondContact O-N 2.93Å; F1077-S1079 PolarHBondContact O-N 2.72Å; F1077-S1080 PolarHBondContact O-N 3.08Å; F1077-S1080 VanDerWaalsContact O-N 3.14Å; F1077-S1080 PolarHBondContact O-OG 3.38Å; F1077-L1081 HydrophobicContact CD1-CD1 4.24Å; F1077-L1081 HydrophobicContact CE1-CD1 3.73Å; F1077-L1081 HydrophobicContact CE2-CD1 4.39Å; F1077-L1081 HydrophobicContact CZ-CD1 3.82Å
1078	T	92.5	Very high	90.2	Very high	16 Å²	16	55.1 Å²	55.1	10%	0.098	31%	0.309	C	S	.	.	H	α-helix	trans	-63.7	-37.8	-173.3	55.1	0	0	0	0	113.7	I759 V836 I1074 S1080 L1081	I759-T1078 WeakPolarHBondContact O-CG2 3.24Å; V836-T1078 HydrophobicContact CG1-CG2 4.26Å; I1074-T1078 HydrophobicContact CG2-CG2 4.25Å; I1074-T1078 WeakPolarHBondContact O-CG2 3.43Å; I1074-T1078 PolarHBondContact O-N 3.05Å; I1074-T1078 PolarHBondContact O-OG1 3.41Å; T1078-S1080 PolarHBondContact O-N 2.91Å; T1078-L1081 PolarHBondContact O-N 3.06Å
1079	S	90.1	Very high	88.8	Confident	90 Å²	90	56 Å²	56	63%	0.629	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-11.8	177.9	57	0	0	0	0	114.6	R1075 F1077	R1075-S1079 VanDerWaalsContact O-CB 3.26Å; R1075-S1079 WeakPolarHBondContact O-CB 3.15Å; R1075-S1079 PolarHBondContact O-N 3.46Å; R1075-S1079 VanDerWaalsContact O-N 3.08Å; R1075-S1079 PolarHBondContact O-OG 2.66Å; F1077-S1079 PolarHBondContact O-N 2.72Å
1080	S	88.9	Confident	86.7	Confident	87 Å²	87	61.3 Å²	61.3	61%	0.608	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	-8.1	175.7	75.8	0	0	0	0	114.5	F1077 T1078	F1077-S1080 PolarHBondContact O-N 3.08Å; F1077-S1080 VanDerWaalsContact O-N 3.14Å; F1077-S1080 PolarHBondContact O-OG 3.38Å; T1078-S1080 PolarHBondContact O-N 2.91Å
1081	L	93.6	Very high	83.9	Confident	25 Å²	25	66 Å²	66	13%	0.131	38%	0.375	C	S	.	.	S	Bend	trans	-95.1	150.6	-171.8	-61.5	-175.9	0	0	0	113	V836 L838 P839 F1077 T1078	V836-L1081 HydrophobicContact CB-CB 4.18Å; V836-L1081 HydrophobicContact CB-CD1 3.93Å; V836-L1081 HydrophobicContact CG1-CB 4.44Å; V836-L1081 HydrophobicContact CG1-CD1 4.41Å; V836-L1081 HydrophobicContact CG2-CD1 3.96Å; L838-L1081 HydrophobicContact CD2-CD1 4.36Å; P839-L1081 HydrophobicContact CG-CD2 3.59Å; F1077-L1081 HydrophobicContact CD1-CD1 4.24Å; F1077-L1081 HydrophobicContact CE1-CD1 3.73Å; F1077-L1081 HydrophobicContact CE2-CD1 4.39Å; F1077-L1081 HydrophobicContact CZ-CD1 3.82Å; T1078-L1081 PolarHBondContact O-N 3.06Å
1082	P	95.1	Very high	83.3	Confident	78 Å²	78	69.1 Å²	69.1	51%	0.506	39%	0.392	S	S	.	.			trans	-66.6	153.7	166.1	23.1	-22.2	0	0	0	110.9	D837	D837-P1082 HydrophobicContact CB-CG 4.13Å; D837-P1082 PolarHBondContact N-O 2.92Å
1083	L	94.7	Very high	82.8	Confident	47 Å²	47	68.2 Å²	68.2	25%	0.246	39%	0.386	C	S	.	.	B	Isolated β-bridge	trans	-110.8	140.6	178	-58.2	-178.1	0	0	0	110.5	H762 R834 V836	H762-L1083 HydrophobicContact CB-CD1 3.97Å; H762-L1083 HydrophobicContact CB-CD2 3.68Å; H762-L1083 HydrophobicContact CB-CG 4.49Å; R834-L1083 HydrophobicContact CB-CB 4.42Å; R834-L1083 HydrophobicContact CB-CD1 4.42Å; V836-L1083 HydrophobicContact CB-CD2 4.37Å; V836-L1083 HydrophobicContact CG1-CD2 3.8Å
1084	H	93.1	Very high	82.3	Confident	19 Å²	19	67.2 Å²	67.2	9%	0.088	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-62.2	149.7	163.9	-73.1	-76.8	0	0	0	110.5	R834 V835 L867 V911	R834-H1084 WeakPolarHBondContact CD-O 3.43Å; R834-H1084 WeakPolarHBondContact CG-O 3.47Å; V835-H1084 PolarHBondContact O-N 3.32Å; L867-H1084 HydrophobicContact CD2-CB 4.11Å; V911-H1084 HydrophobicContact CG2-CB 3.86Å
1085	P	89.8	Confident	81.6	Confident	83 Å²	83	70.6 Å²	70.6	54%	0.539	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-63.9	158.9	170	30.1	-35.9	0	0	0	110.4	L867 Y1087	L867-P1085 HydrophobicContact CD1-CG 3.74Å; L867-P1085 HydrophobicContact CD2-CG 4.13Å; P1085-Y1087 PolarHBondContact O-N 3.5Å
1086	Y	83.8	Confident	81.1	Confident	106 Å²	106	67.4 Å²	67.4	42%	0.416	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-56.9	132.9	168.2	-69.2	-76.7	0	0	0	109.7	P830 Q832 R834	P830-Y1086 HydrophobicContact CB-CD1 3.46Å; P830-Y1086 VanDerWaalsContact CB-CD1 3.46Å; P830-Y1086 HydrophobicContact CB-CE1 3.36Å; P830-Y1086 HydrophobicContact CB-CG 4.09Å; P830-Y1086 HydrophobicContact CG-CD1 4.04Å; P830-Y1086 HydrophobicContact CG-CE1 3.39Å; P830-Y1086 HydrophobicContact CG-CE2 4.31Å; Q832-Y1086 WeakPolarHBondContact O-CD1 3.42Å; Q832-Y1086 VanDerWaalsContact O-CE1 3.27Å; Q832-Y1086 WeakPolarHBondContact O-CE1 3.41Å; R834-Y1086 VanDerWaalsContact CD-CE2 3.49Å; R834-Y1086 HydrophobicContact CG-CD1 3.68Å; R834-Y1086 HydrophobicContact CG-CD2 4.03Å; R834-Y1086 HydrophobicContact CG-CE1 3.55Å; R834-Y1086 HydrophobicContact CG-CE2 3.88Å; R834-Y1086 HydrophobicContact CG-CG 3.91Å; R834-Y1086 PolarHBondContact NE-OH 2.99Å
1087	Y	78.8	Confident	80.3	Confident	28 Å²	28	68.2 Å²	68.2	11%	0.11	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-82.4	122.1	-180	-173.7	-112.2	0	0	0	111	L867 K868 P1085 I1089	L867-Y1087 HydrophobicContact CD2-CD2 4.38Å; K868-Y1087 HydrophobicContact CB-CD1 4.47Å; K868-Y1087 HydrophobicContact CB-CD2 4.48Å; K868-Y1087 HydrophobicContact CB-CE1 3.86Å; K868-Y1087 HydrophobicContact CB-CE2 3.9Å; K868-Y1087 WeakPolarHBondContact CB-OH 3.37Å; K868-Y1087 HydrophobicContact CD-CE1 3.83Å; K868-Y1087 HydrophobicContact CG-CE1 4.04Å; K868-Y1087 WeakPolarHBondContact CG-OH 3.26Å; K868-Y1087 WeakPolarHBondContact O-CE2 3.26Å; K868-Y1087 PolarHBondContact O-OH 3.35Å; P1085-Y1087 PolarHBondContact O-N 3.5Å; Y1087-I1089 HydrophobicContact CE1-CD1 4.2Å; Y1087-I1089 HydrophobicContact CE1-CG1 3.67Å; Y1087-I1089 HydrophobicContact CE2-CG1 4.34Å; Y1087-I1089 VanDerWaalsContact CZ-CG1 3.42Å; Y1087-I1089 VanDerWaalsContact OH-CD1 3.32Å; Y1087-I1089 WeakPolarHBondContact OH-CD1 3.46Å; Y1087-I1089 WeakPolarHBondContact OH-CG1 3.46Å
1088	K	71.1	Confident	79.5	Confident	68 Å²	68	71.4 Å²	71.4	30%	0.296	41%	0.414	S	S	.	.			trans	-136.1	131.6	159.6	-69.1	-164.3	172.1	-165.4	0	107.2	E828 L1090	E828-K1088 IonicContact OE1-NZ 3.14Å; E828-K1088 PolarHBondContact OE1-NZ 2.95Å; K1088-L1090 VanDerWaalsContact C-N 3.28Å; K1088-L1090 HydrophobicContact CB-CD2 4.47Å; K1088-L1090 PolarHBondContact O-N 3Å
1089	I	57.8	Low	78.5	Confident	33 Å²	33	75.6 Å²	75.6	17%	0.169	44%	0.438	C	S	.	.			trans	-72.3	92.3	166.5	-59.6	179.5	0	0	0	106.5	L870 L988 Y1087 S1091	L870-I1089 HydrophobicContact CD2-CD1 4.46Å; L988-I1089 HydrophobicContact CD2-CD1 3.94Å; Y1087-I1089 HydrophobicContact CE1-CD1 4.2Å; Y1087-I1089 HydrophobicContact CE1-CG1 3.67Å; Y1087-I1089 HydrophobicContact CE2-CG1 4.34Å; Y1087-I1089 VanDerWaalsContact CZ-CG1 3.42Å; Y1087-I1089 VanDerWaalsContact OH-CD1 3.32Å; Y1087-I1089 WeakPolarHBondContact OH-CD1 3.46Å; Y1087-I1089 WeakPolarHBondContact OH-CG1 3.46Å; I1089-S1091 PolarHBondContact O-N 2.79Å
1090	L	48.8	Very low	77.5	Confident	158 Å²	158	74.4 Å²	74.4	83%	0.827	42%	0.422	S	S	*	.			trans	-72	111.4	167.2	-63.2	178	0	0	0	107.3	K1088	K1088-L1090 VanDerWaalsContact C-N 3.28Å; K1088-L1090 HydrophobicContact CB-CD2 4.47Å; K1088-L1090 PolarHBondContact O-N 3Å
1091	S	34.4	Very low	76.5	Confident	161 Å²	161	73.3 Å²	73.3	100%	1.126	41%	0.405	S	S	*	.			trans	-54.3	0	-177.3	61.9	0	0	0	0	114.5	I1089	I1089-S1091 PolarHBondContact O-N 2.79Å

Retrieved 1,091 of 1,091 residues in 1581.9 ms (Link to these results)

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