A0A087XXV1_POEFO Loading...

RING-type E3 ubiquitin transferase

AlphaFold DB , UniProt , Accession A0A087XXV1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,026 aa.

						>A0A087XXV1_POEFO|A0A087XXV1
MTTGRNNRAMMEGVGARVVRGPDWKWGKQDGGEGHVGTVRSFESPEEVVVVWDNGTAANYRCSGAYDIRILDSAPTGIKHDGTMCDTCRQQPIIGIRWKCAECTNYDLCTTCYHGDKHHLRHRFYRITTPGSERVLLESRRKSKKITARGIFAGGRVVRGVDWQWEDQDGGNARRGKVTEIQDWSAASPHSAAYVIWDNGAKNLYRVGFEGMSDLKCVQDAKGGSFYRDHCPVLGEQNGNRNPGGLQIGDLVNIDLDLEIVQSLQHGHGGWTDGMFETLTTTGTVCGIDEDHDIVVQYPSGNRWTFNPAVLTKANVVRSGEVAAGAEGGSSQFHVGDLVQICYDIDRIKLLQRGHGEWAEAMLPTLGKVGRVQQIYSDSDLKVEVCGTSWTYNPAAVTKIAPSGSAVSNASGERLSQLLKKLFETQESGDINEELVKAAANGDLAKVEDILKRPDVDVNGQCAGHTAMQAASQNGHVDVLKLLLKHNVDLEAEDKDGDRAVHHAAFGDEGSVIEVLHRGGADLNARNKRRQTPLHIAVNKGHLQVVKTLLDFGCHPSLQDSEGDTPLHDAISKKRDDMLSVLLEAGADVTITNNNGFNALHHAALRGNPRDSSQALNSISSCPWSLLFRAGCYFFAVTLKLLGSHIESLRLLIHQGNASLDIQNVNQQTALHLAVERQHTQIVRLLVRAEAKLDVQDKDGDTPLHEALRHHTLSQLRQLQDMQDVSKVEPWEPSKNTLIMGLGTQGAEKKSAASIACFLAANGADLTIRNKKGQSPLDLCPDPSLCKALAKCHKEKSSGQVDTRSPSLNSNIESLEECMVCSDMKRDTLFGPCGHIATCSLCSPRVKKCLICKEQVQSRTKIEECVVCSDKKAAVLFQPCGHCASLMKKCVQCRAVVERRTPFVLCCGGKGIKSITNDIDVKCSDPGRKGSLDQLHKPPSSFSIRTASGNIPALQRDKDNTNVNADVQKLQQQLQDIKEQTMCPVCLDRLKNMIFMCGHGTCQLCGDRMSECPICRKAIERRILLY
					

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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	34.8	Very low	31.7	Very low	241 Å²	241	156.9 Å²	156.9	100%	1.187	82%	0.824	S	S	*	*				0	114.7	0	-74.1	174.9	169.8	0	0	108.3
2	T	23.5	Very low	33.7	Very low	149 Å²	149	156 Å²	156	91%	0.914	81%	0.812	S	S	*	*			trans	-169.4	108.5	161.4	13.2	0	0	0	0	107.6
3	T	31.5	Very low	36.7	Very low	151 Å²	151	145.2 Å²	145.2	93%	0.926	76%	0.761	S	S	*	*			trans	-89.2	153.9	174.3	39.4	0	0	0	0	110.8
4	G	27.8	Very low	40.6	Very low	73 Å²	73	138.2 Å²	138.2	75%	0.753	73%	0.728	S	S	*	*			trans	119.2	92.2	159.9	0	0	0	0	0	116.3
5	R	28.4	Very low	44.1	Very low	251 Å²	251	129 Å²	129	95%	0.947	68%	0.679	S	S	*	*			trans	-173.2	66.4	143.7	-106.1	169.9	-168.1	-170.2	4.8	112.6
6	N	28.7	Very low	47.4	Very low	161 Å²	161	121 Å²	121	86%	0.861	64%	0.637	S	S	*	*			trans	-129.4	102.1	158.9	-95.2	-3.6	0	0	0	107.5
7	N	26.7	Very low	50.3	Low	147 Å²	147	114.8 Å²	114.8	79%	0.786	60%	0.603	S	S	*	*			trans	-169.1	50.2	171.8	-118.2	-0.3	0	0	0	112.3
8	R	30.8	Very low	52.9	Low	252 Å²	252	108.4 Å²	108.4	95%	0.951	57%	0.57	S	S	*	*			trans	-148.7	70.8	175.5	-81.3	-165.8	169.2	-175	-5.2	111.9
9	A	34.5	Very low	55.3	Low	76 Å²	76	102.8 Å²	102.8	63%	0.628	54%	0.54	S	S	*	.	S	Bend	trans	-156.7	13.9	172.6	0	0	0	0	0	114.5	Q237	A9-Q237 PolarHBondContact O-NE2 2.74Å
10	M	36.9	Very low	57.4	Low	56 Å²	56	100 Å²	100	28%	0.276	52%	0.522	S	S	.	.			trans	-153.1	86.4	-175.4	-173.4	160	152.8	0	0	112.7	F42 P45	M10-F42 HydrophobicContact CE-CD1 3.35Å; M10-F42 HydrophobicContact CE-CE1 3.64Å; M10-F42 HydrophobicContact CE-CG 4.14Å; M10-P45 WeakPolarHBondContact CE-O 3.24Å; M10-P45 VanDerWaalsContact SD-CA 3.58Å; M10-P45 HydrophobicContact SD-CB 4.03Å
11	M	45.7	Very low	59.2	Low	169 Å²	169	95.5 Å²	95.5	83%	0.833	50%	0.5	S	S	*	.			trans	-151.5	23.5	173.6	-144	169	-171	0	0	113.5
12	E	55.8	Low	61.9	Low	146 Å²	146	87.2 Å²	87.2	68%	0.682	46%	0.464	S	S	*	.			trans	-105.1	0.3	-167.2	-56.5	-171.9	159.2	0	0	114.7
13	G	72.3	Confident	65.3	Low	15 Å²	15	83.5 Å²	83.5	16%	0.155	44%	0.439	C	S	.	.			trans	-105.3	-0.9	-171.4	0	0	0	0	0	116.8	G15 A16 V39	G13-G15 PolarHBondContact O-N 3.24Å; G13-A16 VanDerWaalsContact O-CB 3.29Å; G13-A16 WeakPolarHBondContact O-CB 3.4Å; G13-A16 PolarHBondContact O-N 2.86Å; G13-V39 WeakPolarHBondContact O-CG1 3.39Å
14	V	91.5	Very high	68.4	Low	48 Å²	48	77.8 Å²	77.8	29%	0.291	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	130.1	-176.4	175.5	0	0	0	0	110.3	R40 F42 T76	V14-R40 WeakPolarHBondContact CG1-O 3.28Å; V14-F42 HydrophobicContact CG2-CD2 4.18Å; V14-F42 HydrophobicContact CG2-CE2 4.18Å; V14-T76 VanDerWaalsContact O-CG2 3.3Å; V14-T76 WeakPolarHBondContact O-CG2 3.46Å
15	G	93.4	Very high	71.6	Confident	0 Å²	0	80.7 Å²	80.7	0%	0	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	93.4	-10.8	-174.6	0	0	0	0	0	115.7	G13 R17 V39 P75 G208	G13-G15 PolarHBondContact O-N 3.24Å; G15-R17 PolarHBondContact O-N 3.26Å; G15-V39 PolarHBondContact N-O 3.02Å; G15-P75 WeakPolarHBondContact O-CB 3.39Å; G15-G208 WeakPolarHBondContact CA-O 3.23Å
16	A	95.8	Very high	74.8	Confident	1 Å²	1	73 Å²	73	1%	0.008	36%	0.363	C	S	.	.			trans	-58.2	136.7	-179.5	0	0	0	0	0	111.5	G13 V18 V39 T76	G13-A16 VanDerWaalsContact O-CB 3.29Å; G13-A16 WeakPolarHBondContact O-CB 3.4Å; G13-A16 PolarHBondContact O-N 2.86Å; A16-V18 HydrophobicContact CB-CG1 4.36Å; A16-V39 HydrophobicContact CB-CB 4.36Å; A16-V39 HydrophobicContact CB-CG2 4.08Å; A16-V39 PolarHBondContact O-N 3.39Å; A16-T76 HydrophobicContact CB-CG2 3.84Å
17	R	97.3	Very high	78	Confident	16 Å²	16	67.6 Å²	67.6	6%	0.06	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	125.8	177.8	-61.1	-72.1	-75.7	146.7	3.9	108.2	G15 V36 G37 T38 D53 L71 D72 P75	G15-R17 PolarHBondContact O-N 3.26Å; R17-V36 HydrophobicContact CB-CG1 4.25Å; R17-G37 CarbonylContact C-O 3.44Å; R17-G37 WeakPolarHBondContact CA-O 3.29Å; R17-G37 VanDerWaalsContact NH1-C 3.31Å; R17-G37 PolarHBondContact NH1-O 3.06Å; R17-T38 PolarHBondContact NH1-OG1 3.09Å; R17-D53 IonicContact CZ-OD1 3.81Å; R17-D53 IonicContact CZ-OD2 3.71Å; R17-D53 IonicContact NH1-OD1 2.83Å; R17-D53 PolarHBondContact NH1-OD1 2.65Å; R17-D53 IonicContact NH1-OD2 2.71Å; R17-D53 VanDerWaalsContact NH2-CG 3.32Å; R17-D53 IonicContact NH2-OD1 3.19Å; R17-D53 PolarHBondContact NH2-OD1 2.64Å; R17-D53 IonicContact NH2-OD2 3.94Å; R17-D53 PolarHBondContact NH2-OD2 3.3Å; R17-L71 WeakPolarHBondContact O-CA 3.33Å; R17-L71 WeakPolarHBondContact O-CB 3.45Å; R17-L71 PolarHBondContact O-N 3.09Å; R17-D72 PolarHBondContact N-O 3.37Å; R17-D72 PolarHBondContact O-N 3.1Å; R17-P75 HydrophobicContact CG-CG 3.9Å
18	V	97.6	Very high	81.2	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	158.7	-160	-70.9	0	0	0	0	113.5	A16 V36 G37 V39 V50 I68 R69 L234	A16-V18 HydrophobicContact CB-CG1 4.36Å; V18-V36 CarbonylContact O-C 3.57Å; V18-V36 VanDerWaalsContact O-CA 3.28Å; V18-V36 WeakPolarHBondContact O-CA 3.12Å; V18-G37 WeakPolarHBondContact CG2-O 3.42Å; V18-G37 PolarHBondContact N-O 2.93Å; V18-G37 PolarHBondContact O-N 3.48Å; V18-V39 HydrophobicContact CG1-CG2 3.64Å; V18-V39 HydrophobicContact CG2-CG2 4.12Å; V18-V50 HydrophobicContact CG2-CG1 3.76Å; V18-V50 HydrophobicContact CG2-CG2 4.18Å; V18-I68 HydrophobicContact CB-CG2 3.55Å; V18-I68 HydrophobicContact CG1-CG2 3.65Å; V18-I68 HydrophobicContact CG2-CG2 4.07Å; V18-R69 CarbonylContact C-O 3.54Å; V18-R69 VanDerWaalsContact CA-O 3.25Å; V18-R69 WeakPolarHBondContact CA-O 3.49Å; V18-R69 WeakPolarHBondContact CB-O 3.49Å; V18-L234 HydrophobicContact CG1-CD2 4.3Å
19	V	97.9	Very high	84.2	Confident	1 Å²	1	60.1 Å²	60.1	1%	0.006	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	170	176.7	-61	0	0	0	0	110.1	G21 V36 R69 L71 F226	V19-G21 PolarHBondContact O-N 2.9Å; V19-V36 HydrophobicContact CG1-CG2 3.99Å; V19-R69 HydrophobicContact CG2-CB 3.92Å; V19-R69 PolarHBondContact N-O 3.15Å; V19-R69 PolarHBondContact O-N 2.95Å; V19-L71 HydrophobicContact CG1-CB 4.15Å; V19-L71 HydrophobicContact CG1-CD2 4.05Å; V19-F226 HydrophobicContact CB-CZ 4.32Å; V19-F226 HydrophobicContact CG1-CE1 4.46Å; V19-F226 HydrophobicContact CG1-CZ 3.91Å; V19-F226 HydrophobicContact CG2-CE2 3.92Å; V19-F226 HydrophobicContact CG2-CZ 3.92Å
20	R	97.6	Very high	87.1	Confident	46 Å²	46	56.6 Å²	56.6	17%	0.174	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.2	137.2	178.8	63.1	170.1	66.8	-163.4	-6	114.5	W24 G27 D30 E33 R69	R20-W24 HydrophobicContact CB-CB 4.06Å; R20-W24 HydrophobicContact CB-CD2 3.71Å; R20-W24 HydrophobicContact CB-CE3 3.9Å; R20-W24 HydrophobicContact CB-CG 3.8Å; R20-G27 PolarHBondContact NH2-O 2.8Å; R20-D30 IonicContact CZ-OD1 3.45Å; R20-D30 IonicContact CZ-OD2 3.35Å; R20-D30 IonicContact NE-OD2 3.55Å; R20-D30 PolarHBondContact NE-OD2 2.79Å; R20-D30 IonicContact NH2-OD1 3.3Å; R20-D30 PolarHBondContact NH2-OD1 3.47Å; R20-D30 IonicContact NH2-OD2 2.72Å; R20-D30 PolarHBondContact NH2-OD2 3.3Å; R20-E33 HydrophobicContact CG-CG 4.47Å; R20-R69 PolarHBondContact O-NH1 3.43Å
21	G	94.3	Very high	89.8	Confident	6 Å²	6	55.3 Å²	55.3	6%	0.062	29%	0.286	C	S	.	.			trans	-83.9	-175.4	179.4	0	0	0	0	0	114.5	V19 D67 R69	V19-G21 PolarHBondContact O-N 2.9Å; G21-D67 WeakPolarHBondContact CA-O 3.32Å; G21-D67 VanDerWaalsContact N-C 3.32Å; G21-D67 PolarHBondContact N-O 3.29Å; G21-R69 PolarHBondContact O-NH1 2.88Å
22	P	92.9	Very high	92	Very high	68 Å²	68	47.8 Å²	47.8	44%	0.442	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-42	175.3	25.2	-34.4	0	0	0	112.7	W24 Y66 V233	P22-W24 VanDerWaalsContact C-N 3.28Å; P22-W24 PolarHBondContact O-N 3.35Å; P22-Y66 WeakPolarHBondContact CD-O 3.33Å; P22-V233 HydrophobicContact CG-CG1 3.95Å
23	D	94.8	Very high	93.8	Very high	71 Å²	71	45 Å²	45	38%	0.38	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	15.1	-169.5	-57.8	-58.2	0	0	0	113.7	K25 R61 A65 Y66	D23-K25 PolarHBondContact O-N 3.03Å; D23-K25 VanDerWaalsContact O-N 3.14Å; D23-R61 PolarHBondContact O-NH2 2.85Å; D23-A65 HydrophobicContact CB-CB 4.06Å; D23-A65 WeakPolarHBondContact OD2-CA 3.5Å; D23-Y66 PolarHBondContact N-O 2.94Å; D23-Y66 VanDerWaalsContact N-O 3.09Å; D23-Y66 PolarHBondContact OD2-N 2.72Å
24	W	95.8	Very high	94.6	Very high	31 Å²	31	44.3 Å²	44.3	12%	0.117	23%	0.232	C	C	.	.			trans	-61.9	110.9	-175	176.6	-86.9	0	0	0	112.2	R20 P22 W26 G27 Q29 D30 W52 Y60 D67 I68	R20-W24 HydrophobicContact CB-CB 4.06Å; R20-W24 HydrophobicContact CB-CD2 3.71Å; R20-W24 HydrophobicContact CB-CE3 3.9Å; R20-W24 HydrophobicContact CB-CG 3.8Å; P22-W24 VanDerWaalsContact C-N 3.28Å; P22-W24 PolarHBondContact O-N 3.35Å; W24-W26 HydrophobicContact CD2-CB 4.29Å; W24-W26 AromaticContact CE3-CD1 3.81Å; W24-W26 HydrophobicContact CH2-CB 4.1Å; W24-W26 HydrophobicContact CZ2-CB 3.82Å; W24-W26 HydrophobicContact CZ3-CB 4.42Å; W24-G27 PolarHBondContact NE1-O 3.18Å; W24-G27 VanDerWaalsContact NE1-O 3.11Å; W24-Q29 HydrophobicContact CH2-CB 4.19Å; W24-Q29 HydrophobicContact CZ2-CB 4.22Å; W24-D30 HydrophobicContact CH2-CB 3.82Å; W24-D30 HydrophobicContact CZ2-CB 3.92Å; W24-D30 VanDerWaalsContact CZ2-CG 3.49Å; W24-W52 AromaticContact CH2-CZ2 3.82Å; W24-W52 HydrophobicContact CH2-CZ2 3.82Å; W24-W52 HydrophobicContact CZ3-CH2 4.44Å; W24-W52 AromaticContact CZ3-CZ2 3.71Å; W24-W52 HydrophobicContact CZ3-CZ2 3.71Å; W24-Y60 HydrophobicContact CE3-CD1 4.34Å; W24-Y60 HydrophobicContact CE3-CE1 4.21Å; W24-Y60 HydrophobicContact CH2-CD1 4.47Å; W24-Y60 AromaticContact CH2-CE1 3.61Å; W24-Y60 HydrophobicContact CH2-CE1 3.61Å; W24-Y60 AromaticContact CH2-CZ 3.82Å; W24-Y60 AromaticContact CZ3-CD1 3.71Å; W24-Y60 HydrophobicContact CZ3-CD1 3.71Å; W24-Y60 AromaticContact CZ3-CE1 3.29Å; W24-Y60 HydrophobicContact CZ3-CE1 3.29Å; W24-Y60 AromaticContact CZ3-CZ 3.79Å; W24-D67 HydrophobicContact CE3-CB 4.5Å; W24-I68 HydrophobicContact CZ3-CD1 4.31Å
25	K	95.7	Very high	94.9	Very high	133 Å²	133	43.4 Å²	43.4	58%	0.578	22%	0.224	S	C	*	.			trans	-108	-0	177	62.9	-173.6	179	-178.2	0	114.2	D23 G27	D23-K25 PolarHBondContact O-N 3.03Å; D23-K25 VanDerWaalsContact O-N 3.14Å; K25-G27 VanDerWaalsContact C-N 3.29Å; K25-G27 PolarHBondContact O-N 3.09Å
26	W	94.9	Very high	95.1	Very high	89 Å²	89	43.4 Å²	43.4	34%	0.337	23%	0.225	S	C	.	.	S	Bend	trans	-91	29.6	-165.4	-46.2	105.4	0	0	0	114.6	W24 K28 Q29 Y60 D67	W24-W26 HydrophobicContact CD2-CB 4.29Å; W24-W26 AromaticContact CE3-CD1 3.81Å; W24-W26 HydrophobicContact CH2-CB 4.1Å; W24-W26 HydrophobicContact CZ2-CB 3.82Å; W24-W26 HydrophobicContact CZ3-CB 4.42Å; W26-K28 PolarHBondContact O-N 2.85Å; W26-Q29 HydrophobicContact CB-CG 4.45Å; W26-Q29 PolarHBondContact O-N 3.25Å; W26-Y60 HydrophobicContact CB-CE1 4.21Å; W26-Y60 AromaticContact CD1-CD1 3.62Å; W26-Y60 AromaticContact CD1-CE1 3.59Å; W26-Y60 HydrophobicContact CG-CD1 4.31Å; W26-Y60 AromaticContact CG-CE1 3.9Å; W26-Y60 HydrophobicContact CG-CE1 3.9Å; W26-Y60 AromaticContact NE1-CD1 3.76Å; W26-D67 PolarHBondContact NE1-OD1 3.07Å; W26-D67 PolarHBondContact NE1-OD2 2.75Å
27	G	94.9	Very high	95.2	Very high	48 Å²	48	43.4 Å²	43.4	50%	0.495	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	-108.8	174	0	0	0	0	0	113.6	R20 W24 K25	R20-G27 PolarHBondContact NH2-O 2.8Å; W24-G27 PolarHBondContact NE1-O 3.18Å; W24-G27 VanDerWaalsContact NE1-O 3.11Å; K25-G27 VanDerWaalsContact C-N 3.29Å; K25-G27 PolarHBondContact O-N 3.09Å
28	K	95.6	Very high	95.2	Very high	166 Å²	166	42.6 Å²	42.6	72%	0.722	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-127.1	30.6	-179.6	-66.8	-169.5	176.2	-173.4	0	113.6	W26 D30 G31	W26-K28 PolarHBondContact O-N 2.85Å; K28-D30 WeakPolarHBondContact CA-OD1 3.34Å; K28-D30 PolarHBondContact O-N 2.72Å; K28-G31 WeakPolarHBondContact O-CA 3.43Å; K28-G31 PolarHBondContact O-N 3.15Å
29	Q	93.9	Very high	95.2	Very high	77 Å²	77	42.6 Å²	42.6	36%	0.36	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-33.1	174.3	-73.8	178.6	-13.3	0	0	112.9	W24 W26 G31 N54 Y60	W24-Q29 HydrophobicContact CH2-CB 4.19Å; W24-Q29 HydrophobicContact CZ2-CB 4.22Å; W26-Q29 HydrophobicContact CB-CG 4.45Å; W26-Q29 PolarHBondContact O-N 3.25Å; Q29-G31 VanDerWaalsContact C-N 3.31Å; Q29-N54 PolarHBondContact O-ND2 2.8Å; Q29-Y60 WeakPolarHBondContact CB-OH 3.18Å; Q29-Y60 PolarHBondContact OE1-OH 2.86Å
30	D	95.1	Very high	95.1	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.005	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-21.5	170.7	58.7	-10.9	0	0	0	114.1	R20 W24 K28 G32 H35 W52 N54	R20-D30 IonicContact CZ-OD1 3.45Å; R20-D30 IonicContact CZ-OD2 3.35Å; R20-D30 IonicContact NE-OD2 3.55Å; R20-D30 PolarHBondContact NE-OD2 2.79Å; R20-D30 IonicContact NH2-OD1 3.3Å; R20-D30 PolarHBondContact NH2-OD1 3.47Å; R20-D30 IonicContact NH2-OD2 2.72Å; R20-D30 PolarHBondContact NH2-OD2 3.3Å; W24-D30 HydrophobicContact CH2-CB 3.82Å; W24-D30 HydrophobicContact CZ2-CB 3.92Å; W24-D30 VanDerWaalsContact CZ2-CG 3.49Å; K28-D30 WeakPolarHBondContact CA-OD1 3.34Å; K28-D30 PolarHBondContact O-N 2.72Å; D30-G32 PolarHBondContact OD1-N 2.86Å; D30-G32 VanDerWaalsContact OD1-N 3.08Å; D30-G32 VanDerWaalsContact OD2-O 3.06Å; D30-H35 WeakPolarHBondContact O-CB 3.27Å; D30-W52 HydrophobicContact CB-CD2 3.66Å; D30-W52 HydrophobicContact CB-CE3 3.62Å; D30-W52 HydrophobicContact CB-CG 4.37Å; D30-W52 HydrophobicContact CB-CH2 3.92Å; D30-W52 HydrophobicContact CB-CZ2 3.91Å; D30-W52 HydrophobicContact CB-CZ3 3.76Å; D30-N54 PolarHBondContact O-ND2 3.32Å
31	G	92.6	Very high	94.8	Very high	29 Å²	29	46.5 Å²	46.5	30%	0.299	24%	0.243	S	C	.	.	S	Bend	trans	105.7	-25.6	-172.7	0	0	0	0	0	113.3	K28 Q29 N54	K28-G31 WeakPolarHBondContact O-CA 3.43Å; K28-G31 PolarHBondContact O-N 3.15Å; Q29-G31 VanDerWaalsContact C-N 3.31Å; G31-N54 PolarHBondContact N-ND2 3.08Å
32	G	93.1	Very high	94.5	Very high	11 Å²	11	48.5 Å²	48.5	11%	0.113	25%	0.25	C	C	.	.	S	Bend	trans	152.2	169.7	-177.8	0	0	0	0	0	113.1	D30 G34 H35	D30-G32 PolarHBondContact OD1-N 2.86Å; D30-G32 VanDerWaalsContact OD1-N 3.08Å; D30-G32 VanDerWaalsContact OD2-O 3.06Å; G32-G34 PolarHBondContact O-N 3.25Å; G32-H35 PolarHBondContact N-ND1 2.99Å; G32-H35 WeakPolarHBondContact O-CB 3.35Å; G32-H35 PolarHBondContact O-N 2.83Å
33	E	92.9	Very high	94.2	Very high	88 Å²	88	51.1 Å²	51.1	41%	0.411	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	125	176.7	-178.4	169.5	-141.1	0	0	111.3	R20 I146 R228	R20-E33 HydrophobicContact CG-CG 4.47Å; E33-I146 HydrophobicContact CG-CD1 3.85Å; E33-R228 WeakPolarHBondContact OE1-CD 3.46Å; E33-R228 IonicContact OE1-CZ 3.62Å; E33-R228 IonicContact OE1-NE 2.77Å; E33-R228 IonicContact OE1-NH1 3.6Å; E33-R228 PolarHBondContact OE1-NH1 2.85Å; E33-R228 IonicContact OE2-NH1 3.84Å
34	G	89	Confident	93.7	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.01	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	93.4	-7.6	-174.8	0	0	0	0	0	114.3	G32 A148 R149	G32-G34 PolarHBondContact O-N 3.25Å; G34-A148 CarbonylContact O-C 3.59Å; G34-A148 VanDerWaalsContact O-CA 3.29Å; G34-A148 WeakPolarHBondContact O-CA 3.38Å; G34-R149 PolarHBondContact O-N 2.66Å
35	H	97.4	Very high	92.7	Very high	28 Å²	28	51.7 Å²	51.7	13%	0.13	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-69.1	143	168.7	-76.1	78.9	0	0	0	111.4	D30 G32 R149 D220	D30-H35 WeakPolarHBondContact O-CB 3.27Å; G32-H35 PolarHBondContact N-ND1 2.99Å; G32-H35 WeakPolarHBondContact O-CB 3.35Å; G32-H35 PolarHBondContact O-N 2.83Å; H35-R149 CarbonylContact C-O 3.53Å; H35-R149 VanDerWaalsContact CA-O 3.31Å; H35-R149 WeakPolarHBondContact CA-O 3.5Å; H35-R149 VanDerWaalsContact CE1-CD 3.44Å; H35-R149 WeakPolarHBondContact CE1-CD 3.39Å; H35-D220 IonicContact CD2-OD1 3.39Å; H35-D220 IonicContact CE1-OD1 2.94Å; H35-D220 IonicContact NE2-OD1 2.72Å; H35-D220 PolarHBondContact NE2-OD1 2.86Å; H35-D220 IonicContact NE2-OD2 3Å
36	V	98	Very high	92.1	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.006	27%	0.269	C	S	.	.			trans	-107.3	150.3	-169.4	-174	0	0	0	0	111.3	R17 V18 V19 D53 L71 A148 R149 F152	R17-V36 HydrophobicContact CB-CG1 4.25Å; V18-V36 CarbonylContact O-C 3.57Å; V18-V36 VanDerWaalsContact O-CA 3.28Å; V18-V36 WeakPolarHBondContact O-CA 3.12Å; V19-V36 HydrophobicContact CG1-CG2 3.99Å; V36-D53 WeakPolarHBondContact O-CB 3.23Å; V36-D53 PolarHBondContact O-N 3.18Å; V36-L71 HydrophobicContact CG1-CD2 4.17Å; V36-L71 HydrophobicContact CG2-CD2 3.56Å; V36-A148 HydrophobicContact CG2-CB 4.1Å; V36-R149 WeakPolarHBondContact CG2-O 3.44Å; V36-R149 PolarHBondContact N-O 2.88Å; V36-F152 HydrophobicContact CB-CE2 4.37Å; V36-F152 HydrophobicContact CG2-CE2 3.91Å; V36-F152 HydrophobicContact CG2-CZ 4.03Å
37	G	97.7	Very high	91.8	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	176.2	170.8	0	0	0	0	0	112.5	R17 V18 V51	R17-G37 CarbonylContact C-O 3.44Å; R17-G37 WeakPolarHBondContact CA-O 3.29Å; R17-G37 VanDerWaalsContact NH1-C 3.31Å; R17-G37 PolarHBondContact NH1-O 3.06Å; V18-G37 WeakPolarHBondContact CG2-O 3.42Å; V18-G37 PolarHBondContact N-O 2.93Å; V18-G37 PolarHBondContact O-N 3.48Å; G37-V51 CarbonylContact C-O 3.56Å; G37-V51 WeakPolarHBondContact CA-O 3.31Å
38	T	98.1	Very high	91.7	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	131.4	177.6	-64.7	0	0	0	0	110.2	R17 R40 V50 V51 G211	R17-T38 PolarHBondContact NH1-OG1 3.09Å; T38-R40 PolarHBondContact O-N 3.5Å; T38-V50 WeakPolarHBondContact O-CA 3.37Å; T38-V51 PolarHBondContact N-O 2.9Å; T38-V51 PolarHBondContact O-N 2.73Å; T38-G211 WeakPolarHBondContact CG2-O 3.45Å
39	V	97.2	Very high	91.7	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	110.9	166	175.1	0	0	0	0	109.1	G13 G15 A16 V18 F42 V48 V50 G211 L234	G13-V39 WeakPolarHBondContact O-CG1 3.39Å; G15-V39 PolarHBondContact N-O 3.02Å; A16-V39 HydrophobicContact CB-CB 4.36Å; A16-V39 HydrophobicContact CB-CG2 4.08Å; A16-V39 PolarHBondContact O-N 3.39Å; V18-V39 HydrophobicContact CG1-CG2 3.64Å; V18-V39 HydrophobicContact CG2-CG2 4.12Å; V39-F42 HydrophobicContact CG1-CE2 3.83Å; V39-F42 HydrophobicContact CG1-CZ 3.89Å; V39-V48 HydrophobicContact CG1-CG2 3.59Å; V39-V48 HydrophobicContact CG2-CG2 4.36Å; V39-V50 HydrophobicContact CG2-CG2 4.45Å; V39-G211 WeakPolarHBondContact O-CA 3.38Å; V39-L234 HydrophobicContact CG2-CD2 3.52Å
40	R	94.6	Very high	91.9	Very high	84 Å²	84	37.6 Å²	37.6	32%	0.317	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	-49.5	-179.7	179.3	-176.9	-166.4	74.4	-0.4	111.9	V14 T38 V49 V51 D162	V14-R40 WeakPolarHBondContact CG1-O 3.28Å; T38-R40 PolarHBondContact O-N 3.5Å; R40-V49 HydrophobicContact CB-CB 4.38Å; R40-V49 HydrophobicContact CB-CG1 4.35Å; R40-V49 PolarHBondContact N-O 3.31Å; R40-V51 HydrophobicContact CB-CG2 4.15Å; R40-D162 IonicContact CZ-OD1 3.44Å; R40-D162 IonicContact CZ-OD2 2.99Å; R40-D162 IonicContact NH1-OD1 3.13Å; R40-D162 PolarHBondContact NH1-OD1 2.86Å; R40-D162 IonicContact NH1-OD2 3.29Å; R40-D162 PolarHBondContact NH1-OD2 3.27Å; R40-D162 IonicContact NH2-OD1 2.75Å; R40-D162 PolarHBondContact NH2-OD1 3.46Å
41	S	91.8	Very high	92	Very high	45 Å²	45	37.9 Å²	37.9	32%	0.315	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.8	162.2	-170	48.1	0	0	0	0	110.1	V48 V49	S41-V48 WeakPolarHBondContact O-CG2 3.38Å; S41-V49 PolarHBondContact O-N 3.06Å; S41-V49 WeakPolarHBondContact OG-CB 3.22Å; S41-V49 WeakPolarHBondContact OG-CG2 3.41Å
42	F	89.4	Confident	92.3	Very high	48 Å²	48	36.5 Å²	36.5	21%	0.211	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	131.5	168.4	-64.1	-92.6	0	0	0	108.1	M10 V14 V39 V48 L234	M10-F42 HydrophobicContact CE-CD1 3.35Å; M10-F42 HydrophobicContact CE-CE1 3.64Å; M10-F42 HydrophobicContact CE-CG 4.14Å; V14-F42 HydrophobicContact CG2-CD2 4.18Å; V14-F42 HydrophobicContact CG2-CE2 4.18Å; V39-F42 HydrophobicContact CG1-CE2 3.83Å; V39-F42 HydrophobicContact CG1-CZ 3.89Å; F42-V48 HydrophobicContact CD1-CB 3.65Å; F42-V48 HydrophobicContact CD1-CG2 3.63Å; F42-V48 HydrophobicContact CE1-CB 3.71Å; F42-V48 HydrophobicContact CE1-CG2 3.45Å; F42-V48 VanDerWaalsContact CE1-CG2 3.45Å; F42-V48 HydrophobicContact CE2-CG2 4.49Å; F42-V48 HydrophobicContact CG-CG2 4.25Å; F42-V48 HydrophobicContact CZ-CG2 3.92Å; F42-L234 HydrophobicContact CZ-CD1 4.32Å
43	E	86.1	Confident	92.6	Very high	123 Å²	123	36.2 Å²	36.2	58%	0.575	18%	0.183	S	C	*	.	S	Bend	trans	-85	-32	172.8	-64.5	-166.6	-175	0	0	110.9	E47 V49 N59	E43-E47 PolarHBondContact N-O 3.41Å; E43-V49 HydrophobicContact CG-CG2 3.69Å; E43-N59 PolarHBondContact OE1-ND2 3.37Å; E43-N59 PolarHBondContact OE2-ND2 2.66Å; E43-N59 VanDerWaalsContact OE2-ND2 3.16Å
44	S	83.1	Confident	92.7	Very high	43 Å²	43	34.1 Å²	34.1	30%	0.301	17%	0.174	S	C	.	.	S	Bend	trans	-149.2	175.1	177	77.7	0	0	0	0	110.6	E46 E47	S44-E46 PolarHBondContact O-N 3.03Å; S44-E46 VanDerWaalsContact O-N 3.11Å; S44-E46 PolarHBondContact OG-N 2.91Å; S44-E47 PolarHBondContact N-O 3.03Å; S44-E47 WeakPolarHBondContact OG-CB 3.36Å; S44-E47 PolarHBondContact OG-N 2.92Å; S44-E47 VanDerWaalsContact OG-N 3.08Å
45	P	75.8	Confident	92.9	Very high	71 Å²	71	35.3 Å²	35.3	46%	0.461	19%	0.187	S	C	.	.	S	Bend	trans	-61.5	-9.1	168.3	-24.3	36.3	0	0	0	114.9	M10	M10-P45 WeakPolarHBondContact CE-O 3.24Å; M10-P45 VanDerWaalsContact SD-CA 3.58Å; M10-P45 HydrophobicContact SD-CB 4.03Å
46	E	83.3	Confident	92.9	Very high	125 Å²	125	36.5 Å²	36.5	58%	0.584	20%	0.196	S	C	*	.	S	Bend	trans	-118	-11.8	-174.1	-50.6	-167.3	153.8	0	0	113.2	S44 C62	S44-E46 PolarHBondContact O-N 3.03Å; S44-E46 VanDerWaalsContact O-N 3.11Å; S44-E46 PolarHBondContact OG-N 2.91Å; E46-C62 PolarHBondContact O-N 2.96Å
47	E	87.4	Confident	92.8	Very high	78 Å²	78	39.6 Å²	39.6	36%	0.364	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	127.1	-170.9	-172.6	167.3	-176.4	0	0	112.7	E43 S44 N59 Y60	E43-E47 PolarHBondContact N-O 3.41Å; S44-E47 PolarHBondContact N-O 3.03Å; S44-E47 WeakPolarHBondContact OG-CB 3.36Å; S44-E47 PolarHBondContact OG-N 2.92Å; S44-E47 VanDerWaalsContact OG-N 3.08Å; E47-N59 HydrophobicContact CG-CB 3.96Å; E47-N59 WeakPolarHBondContact OE1-CB 3.37Å; E47-N59 PolarHBondContact OE1-ND2 3.23Å; E47-Y60 WeakPolarHBondContact CA-O 3.33Å
48	V	94	Very high	92.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	135.3	-175	62.9	0	0	0	0	112.1	V39 S41 F42 N59 Y60 C62 I68 L234	V39-V48 HydrophobicContact CG1-CG2 3.59Å; V39-V48 HydrophobicContact CG2-CG2 4.36Å; S41-V48 WeakPolarHBondContact O-CG2 3.38Å; F42-V48 HydrophobicContact CD1-CB 3.65Å; F42-V48 HydrophobicContact CD1-CG2 3.63Å; F42-V48 HydrophobicContact CE1-CB 3.71Å; F42-V48 HydrophobicContact CE1-CG2 3.45Å; F42-V48 VanDerWaalsContact CE1-CG2 3.45Å; F42-V48 HydrophobicContact CE2-CG2 4.49Å; F42-V48 HydrophobicContact CG-CG2 4.25Å; F42-V48 HydrophobicContact CZ-CG2 3.92Å; V48-N59 CarbonylContact O-C 3.59Å; V48-N59 WeakPolarHBondContact O-CA 3.12Å; V48-Y60 WeakPolarHBondContact CG1-O 3.42Å; V48-Y60 PolarHBondContact N-O 3.47Å; V48-Y60 PolarHBondContact O-N 3.29Å; V48-C62 HydrophobicContact CG1-CB 4.03Å; V48-I68 HydrophobicContact CG1-CG1 4.48Å; V48-L234 HydrophobicContact CG1-CD2 4.07Å; V48-L234 HydrophobicContact CG2-CD2 4.09Å
49	V	95.6	Very high	92.5	Very high	13 Å²	13	43.1 Å²	43.1	8%	0.079	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	121.6	175.6	-168	0	0	0	0	109.3	R40 S41 E43	R40-V49 HydrophobicContact CB-CB 4.38Å; R40-V49 HydrophobicContact CB-CG1 4.35Å; R40-V49 PolarHBondContact N-O 3.31Å; S41-V49 PolarHBondContact O-N 3.06Å; S41-V49 WeakPolarHBondContact OG-CB 3.22Å; S41-V49 WeakPolarHBondContact OG-CG2 3.41Å; E43-V49 HydrophobicContact CG-CG2 3.69Å
50	V	97.6	Very high	92.4	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	130.6	175.5	178.7	0	0	0	0	109.5	V18 T38 V39 W52 A57 A58 Y60 I68	V18-V50 HydrophobicContact CG2-CG1 3.76Å; V18-V50 HydrophobicContact CG2-CG2 4.18Å; T38-V50 WeakPolarHBondContact O-CA 3.37Å; V39-V50 HydrophobicContact CG2-CG2 4.45Å; V50-W52 HydrophobicContact CG1-CD2 3.98Å; V50-W52 HydrophobicContact CG1-CE3 4.38Å; V50-W52 HydrophobicContact CG1-CG 4.44Å; V50-W52 HydrophobicContact CG1-CH2 4.28Å; V50-W52 HydrophobicContact CG1-CZ2 3.91Å; V50-A57 WeakPolarHBondContact O-CA 3.28Å; V50-A58 PolarHBondContact N-O 3.06Å; V50-A58 PolarHBondContact O-N 2.97Å; V50-Y60 HydrophobicContact CB-CD2 3.81Å; V50-Y60 HydrophobicContact CB-CE2 3.95Å; V50-Y60 HydrophobicContact CG2-CD2 3.9Å; V50-I68 HydrophobicContact CG2-CD1 4.15Å; V50-I68 HydrophobicContact CG2-CG1 4.39Å
51	V	98.3	Very high	92.2	Very high	7 Å²	7	42.6 Å²	42.6	4%	0.042	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	107.7	166.6	-178.6	0	0	0	0	107.4	G37 T38 R40 A57 V161	G37-V51 CarbonylContact C-O 3.56Å; G37-V51 WeakPolarHBondContact CA-O 3.31Å; T38-V51 PolarHBondContact N-O 2.9Å; T38-V51 PolarHBondContact O-N 2.73Å; R40-V51 HydrophobicContact CB-CG2 4.15Å; V51-A57 HydrophobicContact CG2-CB 4.09Å; V51-V161 HydrophobicContact CG1-CG1 4.18Å; V51-V161 HydrophobicContact CG2-CG1 4.35Å
52	W	98.3	Very high	92.1	Very high	1 Å²	1	40.4 Å²	40.4	0%	0.004	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	150.6	176.4	-65.6	105.5	0	0	0	111.2	W24 D30 V50 N54 G55 T56 Y60 I68	W24-W52 AromaticContact CH2-CZ2 3.82Å; W24-W52 HydrophobicContact CH2-CZ2 3.82Å; W24-W52 HydrophobicContact CZ3-CH2 4.44Å; W24-W52 AromaticContact CZ3-CZ2 3.71Å; W24-W52 HydrophobicContact CZ3-CZ2 3.71Å; D30-W52 HydrophobicContact CB-CD2 3.66Å; D30-W52 HydrophobicContact CB-CE3 3.62Å; D30-W52 HydrophobicContact CB-CG 4.37Å; D30-W52 HydrophobicContact CB-CH2 3.92Å; D30-W52 HydrophobicContact CB-CZ2 3.91Å; D30-W52 HydrophobicContact CB-CZ3 3.76Å; V50-W52 HydrophobicContact CG1-CD2 3.98Å; V50-W52 HydrophobicContact CG1-CE3 4.38Å; V50-W52 HydrophobicContact CG1-CG 4.44Å; V50-W52 HydrophobicContact CG1-CH2 4.28Å; V50-W52 HydrophobicContact CG1-CZ2 3.91Å; W52-N54 PolarHBondContact O-N 2.82Å; W52-N54 VanDerWaalsContact O-N 3.08Å; W52-G55 WeakPolarHBondContact O-CA 3.49Å; W52-G55 PolarHBondContact O-N 3Å; W52-T56 PolarHBondContact N-O 2.99Å; W52-Y60 AromaticContact CE2-CE2 3.97Å; W52-Y60 HydrophobicContact CZ2-CE2 4.11Å; W52-Y60 AromaticContact NE1-CE2 3.28Å; W52-Y60 VanDerWaalsContact NE1-CE2 3.28Å; W52-Y60 AromaticContact NE1-CZ 3.36Å; W52-Y60 PolarHBondContact NE1-OH 3.48Å; W52-I68 HydrophobicContact CH2-CD1 3.89Å; W52-I68 HydrophobicContact CZ2-CD1 3.68Å
53	D	98	Very high	91.9	Very high	5 Å²	5	40.6 Å²	40.6	3%	0.027	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-25.4	179.6	-77.7	9.8	0	0	0	112.6	R17 V36 G55 G150 I151 C217	R17-D53 IonicContact CZ-OD1 3.81Å; R17-D53 IonicContact CZ-OD2 3.71Å; R17-D53 IonicContact NH1-OD1 2.83Å; R17-D53 PolarHBondContact NH1-OD1 2.65Å; R17-D53 IonicContact NH1-OD2 2.71Å; R17-D53 VanDerWaalsContact NH2-CG 3.32Å; R17-D53 IonicContact NH2-OD1 3.19Å; R17-D53 PolarHBondContact NH2-OD1 2.64Å; R17-D53 IonicContact NH2-OD2 3.94Å; R17-D53 PolarHBondContact NH2-OD2 3.3Å; V36-D53 WeakPolarHBondContact O-CB 3.23Å; V36-D53 PolarHBondContact O-N 3.18Å; D53-G55 PolarHBondContact O-N 3.01Å; D53-G150 WeakPolarHBondContact OD2-CA 3.42Å; D53-I151 HydrophobicContact CB-CD1 3.99Å; D53-I151 HydrophobicContact CB-CG1 3.92Å; D53-I151 PolarHBondContact OD2-N 2.79Å; D53-C217 WeakPolarHBondContact O-CA 3.38Å; D53-C217 WeakPolarHBondContact O-CB 3.28Å; D53-C217 PolarHBondContact O-N 2.87Å
54	N	96.1	Very high	91.6	Very high	43 Å²	43	38 Å²	38	23%	0.23	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-4.3	172	73.3	43.1	0	0	0	113.8	Q29 D30 G31 W52 T56 K216	Q29-N54 PolarHBondContact O-ND2 2.8Å; D30-N54 PolarHBondContact O-ND2 3.32Å; G31-N54 PolarHBondContact N-ND2 3.08Å; W52-N54 PolarHBondContact O-N 2.82Å; W52-N54 VanDerWaalsContact O-N 3.08Å; N54-T56 WeakPolarHBondContact OD1-CB 3.4Å; N54-T56 PolarHBondContact OD1-N 3.04Å; N54-T56 PolarHBondContact OD1-OG1 3.47Å; N54-K216 WeakPolarHBondContact O-CE 3.23Å
55	G	93.9	Very high	91.8	Very high	27 Å²	27	37 Å²	37	28%	0.278	23%	0.234	S	C	.	.	S	Bend	trans	79.7	23.3	-178.9	0	0	0	0	0	115.4	W52 D53 K216	W52-G55 WeakPolarHBondContact O-CA 3.49Å; W52-G55 PolarHBondContact O-N 3Å; D53-G55 PolarHBondContact O-N 3.01Å; G55-K216 PolarHBondContact O-NZ 3.48Å
56	T	96	Very high	92.6	Very high	53 Å²	53	36.3 Å²	36.3	33%	0.325	22%	0.223	S	C	.	.			trans	-91.5	119.7	168.6	-58.2	0	0	0	0	108.9	W52 N54	W52-T56 PolarHBondContact N-O 2.99Å; N54-T56 WeakPolarHBondContact OD1-CB 3.4Å; N54-T56 PolarHBondContact OD1-N 3.04Å; N54-T56 PolarHBondContact OD1-OG1 3.47Å
57	A	95.9	Very high	93.1	Very high	66 Å²	66	30.4 Å²	30.4	55%	0.545	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	131.7	169.5	0	0	0	0	0	109.4	V50 V51	V50-A57 WeakPolarHBondContact O-CA 3.28Å; V51-A57 HydrophobicContact CG2-CB 4.09Å
58	A	95.2	Very high	93.6	Very high	20 Å²	20	26.7 Å²	26.7	17%	0.165	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	163	178.3	0	0	0	0	0	111.9	V50 Y60	V50-A58 PolarHBondContact N-O 3.06Å; V50-A58 PolarHBondContact O-N 2.97Å; A58-Y60 HydrophobicContact CB-CE2 3.76Å; A58-Y60 WeakPolarHBondContact CB-OH 3.09Å; A58-Y60 WeakPolarHBondContact O-CD2 3.17Å; A58-Y60 WeakPolarHBondContact O-CE2 2.94Å
59	N	94.2	Very high	93.6	Very high	54 Å²	54	27.9 Å²	27.9	29%	0.289	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	145.8	179.9	-61.5	9	0	0	0	111.2	E43 E47 V48	E43-N59 PolarHBondContact OE1-ND2 3.37Å; E43-N59 PolarHBondContact OE2-ND2 2.66Å; E43-N59 VanDerWaalsContact OE2-ND2 3.16Å; E47-N59 HydrophobicContact CG-CB 3.96Å; E47-N59 WeakPolarHBondContact OE1-CB 3.37Å; E47-N59 PolarHBondContact OE1-ND2 3.23Å; V48-N59 CarbonylContact O-C 3.59Å; V48-N59 WeakPolarHBondContact O-CA 3.12Å
60	Y	95.3	Very high	93.7	Very high	4 Å²	4	28 Å²	28	2%	0.016	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	151.8	-173.3	-65.7	-70.7	0	0	0	111.7	W24 W26 Q29 E47 V48 V50 W52 A58 D67 I68	W24-Y60 HydrophobicContact CE3-CD1 4.34Å; W24-Y60 HydrophobicContact CE3-CE1 4.21Å; W24-Y60 HydrophobicContact CH2-CD1 4.47Å; W24-Y60 AromaticContact CH2-CE1 3.61Å; W24-Y60 HydrophobicContact CH2-CE1 3.61Å; W24-Y60 AromaticContact CH2-CZ 3.82Å; W24-Y60 AromaticContact CZ3-CD1 3.71Å; W24-Y60 HydrophobicContact CZ3-CD1 3.71Å; W24-Y60 AromaticContact CZ3-CE1 3.29Å; W24-Y60 HydrophobicContact CZ3-CE1 3.29Å; W24-Y60 AromaticContact CZ3-CZ 3.79Å; W26-Y60 HydrophobicContact CB-CE1 4.21Å; W26-Y60 AromaticContact CD1-CD1 3.62Å; W26-Y60 AromaticContact CD1-CE1 3.59Å; W26-Y60 HydrophobicContact CG-CD1 4.31Å; W26-Y60 AromaticContact CG-CE1 3.9Å; W26-Y60 HydrophobicContact CG-CE1 3.9Å; W26-Y60 AromaticContact NE1-CD1 3.76Å; Q29-Y60 WeakPolarHBondContact CB-OH 3.18Å; Q29-Y60 PolarHBondContact OE1-OH 2.86Å; E47-Y60 WeakPolarHBondContact CA-O 3.33Å; V48-Y60 WeakPolarHBondContact CG1-O 3.42Å; V48-Y60 PolarHBondContact N-O 3.47Å; V48-Y60 PolarHBondContact O-N 3.29Å; V50-Y60 HydrophobicContact CB-CD2 3.81Å; V50-Y60 HydrophobicContact CB-CE2 3.95Å; V50-Y60 HydrophobicContact CG2-CD2 3.9Å; W52-Y60 AromaticContact CE2-CE2 3.97Å; W52-Y60 HydrophobicContact CZ2-CE2 4.11Å; W52-Y60 AromaticContact NE1-CE2 3.28Å; W52-Y60 VanDerWaalsContact NE1-CE2 3.28Å; W52-Y60 AromaticContact NE1-CZ 3.36Å; W52-Y60 PolarHBondContact NE1-OH 3.48Å; A58-Y60 HydrophobicContact CB-CE2 3.76Å; A58-Y60 WeakPolarHBondContact CB-OH 3.09Å; A58-Y60 WeakPolarHBondContact O-CD2 3.17Å; A58-Y60 WeakPolarHBondContact O-CE2 2.94Å; Y60-D67 HydrophobicContact CD1-CB 4.06Å; Y60-D67 HydrophobicContact CG-CB 4.37Å; Y60-I68 HydrophobicContact CD1-CD1 4.43Å; Y60-I68 HydrophobicContact CD2-CD1 4.05Å; Y60-I68 HydrophobicContact CG-CD1 3.88Å; Y60-I68 HydrophobicContact CG-CG1 4.17Å
61	R	92.1	Very high	93.6	Very high	68 Å²	68	28.9 Å²	28.9	26%	0.257	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	132	-179.9	-59.3	166.5	-68.6	155.3	7.5	111.1	D23 A65 D67	D23-R61 PolarHBondContact O-NH2 2.85Å; R61-A65 CarbonylContact C-O 3.46Å; R61-A65 WeakPolarHBondContact CB-O 3.28Å; R61-D67 WeakPolarHBondContact CB-OD2 3.41Å; R61-D67 WeakPolarHBondContact CG-OD2 3.28Å; R61-D67 IonicContact CZ-OD1 3.52Å; R61-D67 IonicContact CZ-OD2 3.56Å; R61-D67 PolarHBondContact N-OD2 3.42Å; R61-D67 IonicContact NE-OD1 2.62Å; R61-D67 IonicContact NE-OD2 3.43Å; R61-D67 PolarHBondContact NE-OD2 3.21Å; R61-D67 VanDerWaalsContact NH2-CG 3.31Å; R61-D67 IonicContact NH2-OD1 2.76Å; R61-D67 PolarHBondContact NH2-OD1 2.82Å; R61-D67 IonicContact NH2-OD2 3.54Å; R61-D67 PolarHBondContact NH2-OD2 3.31Å; R61-D67 PolarHBondContact O-N 2.99Å
62	C	88.3	Confident	93.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-126.4	12.2	174.5	62.8	0	0	0	0	113.6	E46 V48 Y66 L234 G235	E46-C62 PolarHBondContact O-N 2.96Å; V48-C62 HydrophobicContact CG1-CB 4.03Å; C62-Y66 WeakPolarHBondContact O-CE1 3.34Å; C62-L234 WeakPolarHBondContact CA-O 3.29Å; C62-L234 VanDerWaalsContact CB-O 3.24Å; C62-L234 WeakPolarHBondContact CB-O 3.39Å; C62-G235 CarbonylContact O-C 3.55Å; C62-G235 VanDerWaalsContact O-CA 3.32Å; C62-G235 WeakPolarHBondContact O-CA 3.44Å
63	S	85.3	Confident	93.3	Very high	51 Å²	51	29.6 Å²	29.6	36%	0.357	19%	0.191	S	C	.	.	S	Bend	trans	-139.4	141.7	172	-179.9	0	0	0	0	110.4	A65	S63-A65 PolarHBondContact O-N 3.21Å
64	G	80.8	Confident	93	Very high	70 Å²	70	29.4 Å²	29.4	72%	0.722	19%	0.19	S	C	*	.	S	Bend	trans	70.8	-46.7	-179.3	0	0	0	0	0	114.7
65	A	86.5	Confident	92.9	Very high	21 Å²	21	27.5 Å²	27.5	17%	0.174	18%	0.18	C	C	.	.	S	Bend	trans	-130.9	138.5	167.8	0	0	0	0	0	109	D23 R61 S63	D23-A65 HydrophobicContact CB-CB 4.06Å; D23-A65 WeakPolarHBondContact OD2-CA 3.5Å; R61-A65 CarbonylContact C-O 3.46Å; R61-A65 WeakPolarHBondContact CB-O 3.28Å; S63-A65 PolarHBondContact O-N 3.21Å
66	Y	91.8	Very high	92.8	Very high	57 Å²	57	28 Å²	28	22%	0.224	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-114.7	101.5	-167.8	-55.7	-82.6	0	0	0	111	P22 D23 C62 I68 V233	P22-Y66 WeakPolarHBondContact CD-O 3.33Å; D23-Y66 PolarHBondContact N-O 2.94Å; D23-Y66 VanDerWaalsContact N-O 3.09Å; D23-Y66 PolarHBondContact OD2-N 2.72Å; C62-Y66 WeakPolarHBondContact O-CE1 3.34Å; Y66-I68 VanDerWaalsContact C-N 3.26Å; Y66-I68 PolarHBondContact O-N 3Å; Y66-V233 HydrophobicContact CD1-CB 4.16Å; Y66-V233 HydrophobicContact CD1-CG2 3.62Å; Y66-V233 HydrophobicContact CD2-CG2 3.96Å; Y66-V233 HydrophobicContact CE1-CG2 4.08Å; Y66-V233 HydrophobicContact CE2-CG2 4.39Å; Y66-V233 HydrophobicContact CG-CB 3.95Å; Y66-V233 HydrophobicContact CG-CG2 3.54Å
67	D	95.3	Very high	92.4	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	17%	0.174	C	C	.	.			trans	-76.8	-12.1	177.8	-80.9	-46.6	0	0	0	113.2	G21 W24 W26 Y60 R61	G21-D67 WeakPolarHBondContact CA-O 3.32Å; G21-D67 VanDerWaalsContact N-C 3.32Å; G21-D67 PolarHBondContact N-O 3.29Å; W24-D67 HydrophobicContact CE3-CB 4.5Å; W26-D67 PolarHBondContact NE1-OD1 3.07Å; W26-D67 PolarHBondContact NE1-OD2 2.75Å; Y60-D67 HydrophobicContact CD1-CB 4.06Å; Y60-D67 HydrophobicContact CG-CB 4.37Å; R61-D67 WeakPolarHBondContact CB-OD2 3.41Å; R61-D67 WeakPolarHBondContact CG-OD2 3.28Å; R61-D67 IonicContact CZ-OD1 3.52Å; R61-D67 IonicContact CZ-OD2 3.56Å; R61-D67 PolarHBondContact N-OD2 3.42Å; R61-D67 IonicContact NE-OD1 2.62Å; R61-D67 IonicContact NE-OD2 3.43Å; R61-D67 PolarHBondContact NE-OD2 3.21Å; R61-D67 VanDerWaalsContact NH2-CG 3.31Å; R61-D67 IonicContact NH2-OD1 2.76Å; R61-D67 PolarHBondContact NH2-OD1 2.82Å; R61-D67 IonicContact NH2-OD2 3.54Å; R61-D67 PolarHBondContact NH2-OD2 3.31Å; R61-D67 PolarHBondContact O-N 2.99Å
68	I	96.3	Very high	92	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	142.4	-166.2	-58	-65	0	0	0	112.1	V18 W24 V48 V50 W52 Y60 Y66 V233 L234	V18-I68 HydrophobicContact CB-CG2 3.55Å; V18-I68 HydrophobicContact CG1-CG2 3.65Å; V18-I68 HydrophobicContact CG2-CG2 4.07Å; W24-I68 HydrophobicContact CZ3-CD1 4.31Å; V48-I68 HydrophobicContact CG1-CG1 4.48Å; V50-I68 HydrophobicContact CG2-CD1 4.15Å; V50-I68 HydrophobicContact CG2-CG1 4.39Å; W52-I68 HydrophobicContact CH2-CD1 3.89Å; W52-I68 HydrophobicContact CZ2-CD1 3.68Å; Y60-I68 HydrophobicContact CD1-CD1 4.43Å; Y60-I68 HydrophobicContact CD2-CD1 4.05Å; Y60-I68 HydrophobicContact CG-CD1 3.88Å; Y60-I68 HydrophobicContact CG-CG1 4.17Å; Y66-I68 VanDerWaalsContact C-N 3.26Å; Y66-I68 PolarHBondContact O-N 3Å; I68-V233 WeakPolarHBondContact O-CA 3.23Å; I68-L234 HydrophobicContact CB-CB 4.04Å; I68-L234 HydrophobicContact CB-CD2 4.32Å; I68-L234 HydrophobicContact CG2-CB 3.84Å; I68-L234 HydrophobicContact CG2-CD2 3.77Å; I68-L234 HydrophobicContact CG2-CG 4.5Å; I68-L234 PolarHBondContact O-N 3.44Å
69	R	95.9	Very high	91.8	Very high	26 Å²	26	28 Å²	28	10%	0.098	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	145	168.2	-84.2	169.8	-171	107.5	-1	111	V18 V19 R20 G21 R228 D229 C231 P232 V233	V18-R69 CarbonylContact C-O 3.54Å; V18-R69 VanDerWaalsContact CA-O 3.25Å; V18-R69 WeakPolarHBondContact CA-O 3.49Å; V18-R69 WeakPolarHBondContact CB-O 3.49Å; V19-R69 HydrophobicContact CG2-CB 3.92Å; V19-R69 PolarHBondContact N-O 3.15Å; V19-R69 PolarHBondContact O-N 2.95Å; R20-R69 PolarHBondContact O-NH1 3.43Å; G21-R69 PolarHBondContact O-NH1 2.88Å; R69-R228 WeakPolarHBondContact CD-O 3.1Å; R69-R228 PolarHBondContact NE-O 3.26Å; R69-D229 IonicContact NH2-OD1 3.74Å; R69-C231 HydrophobicContact CB-CB 4.08Å; R69-C231 HydrophobicContact CG-CB 4.27Å; R69-P232 CarbonylContact C-O 3.6Å; R69-P232 VanDerWaalsContact CA-O 3.3Å; R69-P232 WeakPolarHBondContact CA-O 3.19Å; R69-V233 HydrophobicContact CG-CG1 4.1Å
70	I	96.3	Very high	91.5	Very high	15 Å²	15	25.8 Å²	25.8	8%	0.077	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	116.5	173.1	-53	178.5	0	0	0	108.9	I96 T128 C231 P232 L234	I70-I96 HydrophobicContact CG2-CD1 4.16Å; I70-T128 HydrophobicContact CD1-CG2 4.38Å; I70-C231 VanDerWaalsContact O-CB 3.26Å; I70-C231 WeakPolarHBondContact O-CB 3.09Å; I70-C231 PolarHBondContact O-SG 2.91Å; I70-P232 HydrophobicContact CB-CG 4.13Å; I70-P232 HydrophobicContact CD1-CG 4.38Å; I70-P232 PolarHBondContact N-O 3.37Å; I70-L234 HydrophobicContact CD1-CD1 3.92Å; I70-L234 HydrophobicContact CG1-CB 4.19Å; I70-L234 HydrophobicContact CG1-CD1 4.03Å
71	L	95.1	Very high	91	Very high	19 Å²	19	30.7 Å²	30.7	10%	0.099	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	-45.9	171.5	173.2	61.7	0	0	0	110.3	R17 V19 V36 T110 A148 F226	R17-L71 WeakPolarHBondContact O-CA 3.33Å; R17-L71 WeakPolarHBondContact O-CB 3.45Å; R17-L71 PolarHBondContact O-N 3.09Å; V19-L71 HydrophobicContact CG1-CB 4.15Å; V19-L71 HydrophobicContact CG1-CD2 4.05Å; V36-L71 HydrophobicContact CG1-CD2 4.17Å; V36-L71 HydrophobicContact CG2-CD2 3.56Å; L71-T110 WeakPolarHBondContact O-CG2 3.29Å; L71-A148 HydrophobicContact CD2-CB 4.07Å; L71-F226 HydrophobicContact CD1-CB 3.66Å; L71-F226 HydrophobicContact CD1-CD1 3.65Å; L71-F226 HydrophobicContact CD1-CD2 3.64Å; L71-F226 HydrophobicContact CD1-CE1 4.13Å; L71-F226 HydrophobicContact CD1-CE2 4.12Å; L71-F226 HydrophobicContact CD1-CG 3.37Å; L71-F226 HydrophobicContact CD1-CZ 4.33Å
72	D	95.3	Very high	90.6	Very high	16 Å²	16	31.4 Å²	31.4	9%	0.086	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	136.6	170	-167.2	12	0	0	0	111.3	R17 A74 H190	R17-D72 PolarHBondContact N-O 3.37Å; R17-D72 PolarHBondContact O-N 3.1Å; D72-A74 WeakPolarHBondContact OD1-CB 3.27Å; D72-A74 PolarHBondContact OD1-N 2.79Å; D72-H190 IonicContact OD2-CE1 3.41Å; D72-H190 IonicContact OD2-CG 2.68Å; D72-H190 IonicContact OD2-ND1 2.77Å; D72-H190 PolarHBondContact OD2-ND1 3.29Å
73	S	95	Very high	90.6	Very high	7 Å²	7	32 Å²	32	5%	0.049	21%	0.211	C	C	.	.			trans	-105.8	-2.4	173.9	53.5	0	0	0	0	113.2	P75 T76 G95 I96	S73-P75 VanDerWaalsContact C-CD 3.44Å; S73-P75 VanDerWaalsContact C-N 3.27Å; S73-T76 PolarHBondContact O-N 3.07Å; S73-T76 PolarHBondContact O-OG1 2.8Å; S73-T76 VanDerWaalsContact O-OG1 3.1Å; S73-G95 VanDerWaalsContact OG-CA 3.32Å; S73-G95 WeakPolarHBondContact OG-CA 3.46Å; S73-I96 PolarHBondContact OG-N 3.11Å
74	A	92.6	Very high	90.8	Very high	0 Å²	0	32 Å²	32	0%	0	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-53.6	-36.3	177.5	0	0	0	0	0	114.2	D72 T76 G77 I94 P189	D72-A74 WeakPolarHBondContact OD1-CB 3.27Å; D72-A74 PolarHBondContact OD1-N 2.79Å; A74-T76 PolarHBondContact O-N 3.44Å; A74-G77 PolarHBondContact O-N 3.43Å; A74-I94 HydrophobicContact CB-CG2 4.18Å; A74-P189 CarbonylContact C-O 3.55Å; A74-P189 HydrophobicContact CB-CB 4.26Å; A74-P189 HydrophobicContact CB-CG 4.48Å; A74-P189 WeakPolarHBondContact O-CD 3.09Å
75	P	94.4	Very high	91.2	Very high	3 Å²	3	28.7 Å²	28.7	2%	0.019	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-60.6	-20.7	173.2	-29.1	37.7	0	0	0	115.9	G15 R17 S73 G77 S188 P189	G15-P75 WeakPolarHBondContact O-CB 3.39Å; R17-P75 HydrophobicContact CG-CG 3.9Å; S73-P75 VanDerWaalsContact C-CD 3.44Å; S73-P75 VanDerWaalsContact C-N 3.27Å; P75-G77 PolarHBondContact O-N 2.75Å; P75-S188 WeakPolarHBondContact CA-OG 3.27Å; P75-S188 PolarHBondContact O-OG 3.07Å; P75-P189 WeakPolarHBondContact CA-O 3.44Å; P75-P189 WeakPolarHBondContact CD-O 3.27Å; P75-P189 VanDerWaalsContact CG-O 3.31Å; P75-P189 WeakPolarHBondContact CG-O 3.26Å
76	T	91.5	Very high	91.4	Very high	39 Å²	39	30.1 Å²	30.1	24%	0.239	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-78.3	-10.4	174.2	83.2	0	0	0	0	112.8	V14 A16 S73 A74 I78	V14-T76 VanDerWaalsContact O-CG2 3.3Å; V14-T76 WeakPolarHBondContact O-CG2 3.46Å; A16-T76 HydrophobicContact CB-CG2 3.84Å; S73-T76 PolarHBondContact O-N 3.07Å; S73-T76 PolarHBondContact O-OG1 2.8Å; S73-T76 VanDerWaalsContact O-OG1 3.1Å; A74-T76 PolarHBondContact O-N 3.44Å; T76-I78 VanDerWaalsContact C-N 3.25Å; T76-I78 PolarHBondContact O-N 2.9Å; T76-I78 WeakPolarHBondContact OG1-CG2 3.33Å; T76-I78 PolarHBondContact OG1-N 3.22Å
77	G	87.4	Confident	90.7	Very high	23 Å²	23	30 Å²	30	24%	0.237	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	76	5.5	-175.7	0	0	0	0	0	115.1	A74 P75 K79 A187	A74-G77 PolarHBondContact O-N 3.43Å; P75-G77 PolarHBondContact O-N 2.75Å; G77-K79 PolarHBondContact O-N 3.47Å; G77-A187 WeakPolarHBondContact CA-O 3.35Å
78	I	88.3	Confident	89.9	Confident	30 Å²	30	33.1 Å²	33.1	15%	0.154	20%	0.204	C	C	.	.			trans	-61.7	133.5	173.7	-164	170	0	0	0	110.6	T76 I94 G95 T129	T76-I78 VanDerWaalsContact C-N 3.25Å; T76-I78 PolarHBondContact O-N 2.9Å; T76-I78 WeakPolarHBondContact OG1-CG2 3.33Å; T76-I78 PolarHBondContact OG1-N 3.22Å; I78-I94 WeakPolarHBondContact O-CA 3.43Å; I78-I94 VanDerWaalsContact O-CG2 3.32Å; I78-I94 WeakPolarHBondContact O-CG2 3.42Å; I78-G95 PolarHBondContact O-N 3.24Å; I78-T129 HydrophobicContact CD1-CG2 3.63Å
79	K	90.8	Very high	89.6	Confident	84 Å²	84	41 Å²	41	37%	0.365	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	149.9	-171.9	66.7	-168.1	178.4	65.6	0	113	G77 D81 P92 I93 I94 P130	G77-K79 PolarHBondContact O-N 3.47Å; K79-D81 IonicContact NZ-OD1 3.45Å; K79-D81 PolarHBondContact NZ-OD1 3.49Å; K79-D81 IonicContact NZ-OD2 3.64Å; K79-D81 PolarHBondContact NZ-OD2 3.13Å; K79-P92 HydrophobicContact CB-CB 4.46Å; K79-P92 HydrophobicContact CB-CG 4.12Å; K79-P92 HydrophobicContact CD-CG 3.92Å; K79-P92 HydrophobicContact CG-CG 4.27Å; K79-I93 CarbonylContact C-O 3.57Å; K79-I93 VanDerWaalsContact CA-O 3.28Å; K79-I93 WeakPolarHBondContact CA-O 3.39Å; K79-I94 HydrophobicContact CB-CB 4.48Å; K79-I94 HydrophobicContact CB-CG1 4.14Å; K79-I94 HydrophobicContact CB-CG2 4.42Å; K79-P130 WeakPolarHBondContact O-CG 3.34Å
80	H	87.9	Confident	89.1	Confident	8 Å²	8	41.8 Å²	41.8	4%	0.037	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	88.7	177.9	-63.1	-95	0	0	0	109.8	T83 P92 I93 G95 I127 T129	H80-T83 HydrophobicContact CB-CG2 3.85Å; H80-T83 WeakPolarHBondContact CB-OG1 3.36Å; H80-T83 WeakPolarHBondContact O-CB 3.31Å; H80-T83 PolarHBondContact O-N 3.33Å; H80-T83 PolarHBondContact O-OG1 3.09Å; H80-P92 VanDerWaalsContact O-CB 3.31Å; H80-P92 WeakPolarHBondContact O-CB 3.2Å; H80-I93 PolarHBondContact N-O 2.95Å; H80-G95 PolarHBondContact CD2-O 3.12Å; H80-I127 PolarHBondContact NE2-O 2.98Å; H80-T129 PolarHBondContact CE1-O 3.31Å
81	D	83.5	Confident	88.9	Confident	107 Å²	107	47.4 Å²	47.4	57%	0.572	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	147.8	176.6	-68.2	-55.5	0	0	0	112.2	K79 T83	K79-D81 IonicContact NZ-OD1 3.45Å; K79-D81 PolarHBondContact NZ-OD1 3.49Å; K79-D81 IonicContact NZ-OD2 3.64Å; K79-D81 PolarHBondContact NZ-OD2 3.13Å; D81-T83 PolarHBondContact O-N 2.9Å
82	G	84.9	Confident	88.7	Confident	83 Å²	83	48 Å²	48	86%	0.856	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.7	2.3	-173.3	0	0	0	0	0	115.5
83	T	88.4	Confident	88.6	Confident	12 Å²	12	47.2 Å²	47.2	7%	0.074	27%	0.265	C	S	.	.			trans	-110.5	157	178.3	74.3	0	0	0	0	112.6	H80 D81 P92 I93 R97	H80-T83 HydrophobicContact CB-CG2 3.85Å; H80-T83 WeakPolarHBondContact CB-OG1 3.36Å; H80-T83 WeakPolarHBondContact O-CB 3.31Å; H80-T83 PolarHBondContact O-N 3.33Å; H80-T83 PolarHBondContact O-OG1 3.09Å; D81-T83 PolarHBondContact O-N 2.9Å; T83-P92 WeakPolarHBondContact O-CA 3.44Å; T83-I93 WeakPolarHBondContact OG1-CB 3.39Å; T83-I93 PolarHBondContact OG1-N 3.29Å; T83-R97 VanDerWaalsContact CG2-CZ 3.44Å
84	M	89	Confident	88.5	Confident	52 Å²	52	48 Å²	48	26%	0.256	27%	0.268	S	S	.	.			trans	-135.6	144	173.9	177.8	-175.2	-71.1	0	0	108.6	R89 Q90 Q91	M84-R89 VanDerWaalsContact SD-CD 3.54Å; M84-R89 PolarHBondContact SD-NH1 2.91Å; M84-Q90 CarbonylContact C-O 3.52Å; M84-Q90 WeakPolarHBondContact CA-O 3.37Å; M84-Q91 HydrophobicContact CB-CB 4.33Å; M84-Q91 HydrophobicContact CB-CG 4.49Å; M84-Q91 HydrophobicContact CE-CB 4.25Å; M84-Q91 HydrophobicContact CE-CG 4.45Å; M84-Q91 HydrophobicContact CG-CB 4.3Å
85	C	89.8	Confident	88.5	Confident	0 Å²	0	48 Å²	48	0%	0	27%	0.268	C	S	.	.			trans	-79.8	116.1	165	175.6	0	0	0	0	109.9	T87 C88 R89 Q90 I93 D107 C109	C85-T87 PolarHBondContact O-N 3.15Å; C85-T87 VanDerWaalsContact O-N 3.14Å; C85-C88 PolarHBondContact SG-SG 3.27Å; C85-R89 WeakPolarHBondContact O-CA 3.48Å; C85-R89 PolarHBondContact O-N 3.47Å; C85-Q90 HydrophobicContact CB-CB 4.32Å; C85-Q90 PolarHBondContact N-O 3.26Å; C85-I93 HydrophobicContact CB-CD1 4.4Å; C85-I93 HydrophobicContact CB-CG1 4.19Å; C85-D107 WeakPolarHBondContact CA-O 3.44Å; C85-C109 HydrophobicContact CB-CB 4.16Å; C85-C109 PolarHBondContact SG-N 3.45Å
86	D	89.9	Confident	88.6	Confident	51 Å²	51	47.9 Å²	47.9	27%	0.273	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-21.4	-174.3	-70.5	-64.2	0	0	0	114.3	Y106 D107	D86-Y106 HydrophobicContact CB-CD2 3.92Å; D86-Y106 HydrophobicContact CB-CE1 4.2Å; D86-Y106 HydrophobicContact CB-CE2 3.5Å; D86-Y106 HydrophobicContact CB-CG 4.44Å; D86-Y106 WeakPolarHBondContact OD2-CA 3.43Å; D86-D107 PolarHBondContact N-O 2.91Å; D86-D107 PolarHBondContact OD2-N 2.89Å
87	T	77.7	Confident	88.8	Confident	56 Å²	56	48.2 Å²	48.2	34%	0.344	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-53.7	177.4	-58.1	0	0	0	0	113.3	C85 Y106 L108 K117	C85-T87 PolarHBondContact O-N 3.15Å; C85-T87 VanDerWaalsContact O-N 3.14Å; T87-Y106 PolarHBondContact OG1-OH 3.3Å; T87-Y106 VanDerWaalsContact OG1-OH 3.13Å; T87-L108 WeakPolarHBondContact OG1-CD2 3.48Å; T87-K117 HydrophobicContact CG2-CB 3.8Å; T87-K117 HydrophobicContact CG2-CD 4.03Å; T87-K117 HydrophobicContact CG2-CG 3.71Å
88	C	77.8	Confident	89.3	Confident	65 Å²	65	47.1 Å²	47.1	44%	0.439	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-1.3	-175.7	67.1	0	0	0	0	114.6	C85 Q90	C85-C88 PolarHBondContact SG-SG 3.27Å; C88-Q90 PolarHBondContact O-N 3.04Å; C88-Q90 VanDerWaalsContact O-N 3.13Å
89	R	90.4	Very high	89.6	Confident	164 Å²	164	47.6 Å²	47.6	62%	0.619	25%	0.254	S	S	*	.			trans	58.9	17.3	-178.4	-54.1	-60.2	-173.1	154.4	2.7	115.3	M84 C85 Q91	M84-R89 VanDerWaalsContact SD-CD 3.54Å; M84-R89 PolarHBondContact SD-NH1 2.91Å; C85-R89 WeakPolarHBondContact O-CA 3.48Å; C85-R89 PolarHBondContact O-N 3.47Å; R89-Q91 PolarHBondContact O-N 2.92Å
90	Q	85.8	Confident	89.7	Confident	44 Å²	44	43.9 Å²	43.9	21%	0.206	24%	0.238	C	C	.	.			trans	-57.4	121.3	168.6	-169.5	-168.1	26.4	0	0	109.5	M84 C85 C88 C109	M84-Q90 CarbonylContact C-O 3.52Å; M84-Q90 WeakPolarHBondContact CA-O 3.37Å; C85-Q90 HydrophobicContact CB-CB 4.32Å; C85-Q90 PolarHBondContact N-O 3.26Å; C88-Q90 PolarHBondContact O-N 3.04Å; C88-Q90 VanDerWaalsContact O-N 3.13Å; Q90-C109 PolarHBondContact OE1-SG 3.13Å
91	Q	90.5	Very high	89.6	Confident	132 Å²	132	45.3 Å²	45.3	62%	0.617	25%	0.252	S	S	*	.	S	Bend	trans	-143.1	123.6	-178.2	-179.7	174.4	30.2	0	0	109.4	M84 R89	M84-Q91 HydrophobicContact CB-CB 4.33Å; M84-Q91 HydrophobicContact CB-CG 4.49Å; M84-Q91 HydrophobicContact CE-CB 4.25Å; M84-Q91 HydrophobicContact CE-CG 4.45Å; M84-Q91 HydrophobicContact CG-CB 4.3Å; R89-Q91 PolarHBondContact O-N 2.92Å
92	P	91.7	Very high	89.7	Confident	32 Å²	32	45 Å²	45	21%	0.208	25%	0.247	C	C	.	.	S	Bend	cis	-61.3	165.4	-12	29.4	-35.8	0	0	0	112.2	K79 H80 T83 I94	K79-P92 HydrophobicContact CB-CB 4.46Å; K79-P92 HydrophobicContact CB-CG 4.12Å; K79-P92 HydrophobicContact CD-CG 3.92Å; K79-P92 HydrophobicContact CG-CG 4.27Å; H80-P92 VanDerWaalsContact O-CB 3.31Å; H80-P92 WeakPolarHBondContact O-CB 3.2Å; T83-P92 WeakPolarHBondContact O-CA 3.44Å; P92-I94 PolarHBondContact O-N 3.39Å
93	I	93.5	Very high	89.4	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	125.5	165.3	-65.5	173.9	0	0	0	108	K79 H80 T83 C85 R97 D107 C109	K79-I93 CarbonylContact C-O 3.57Å; K79-I93 VanDerWaalsContact CA-O 3.28Å; K79-I93 WeakPolarHBondContact CA-O 3.39Å; H80-I93 PolarHBondContact N-O 2.95Å; T83-I93 WeakPolarHBondContact OG1-CB 3.39Å; T83-I93 PolarHBondContact OG1-N 3.29Å; C85-I93 HydrophobicContact CB-CD1 4.4Å; C85-I93 HydrophobicContact CB-CG1 4.19Å; I93-R97 HydrophobicContact CD1-CG 4.24Å; I93-R97 HydrophobicContact CG2-CB 4.38Å; I93-D107 HydrophobicContact CD1-CB 3.99Å; I93-C109 HydrophobicContact CG2-CB 3.87Å
94	I	92.2	Very high	89.2	Confident	23 Å²	23	49 Å²	49	12%	0.118	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	137.3	177	-47	177.9	0	0	0	107.8	A74 I78 K79 P92 P189	A74-I94 HydrophobicContact CB-CG2 4.18Å; I78-I94 WeakPolarHBondContact O-CA 3.43Å; I78-I94 VanDerWaalsContact O-CG2 3.32Å; I78-I94 WeakPolarHBondContact O-CG2 3.42Å; K79-I94 HydrophobicContact CB-CB 4.48Å; K79-I94 HydrophobicContact CB-CG1 4.14Å; K79-I94 HydrophobicContact CB-CG2 4.42Å; P92-I94 PolarHBondContact O-N 3.39Å; I94-P189 HydrophobicContact CB-CG 4.25Å; I94-P189 HydrophobicContact CD1-CG 3.81Å; I94-P189 HydrophobicContact CG2-CG 4.07Å
95	G	93.7	Very high	88.9	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.274	C	S	.	.	S	Bend	trans	78.1	-162.5	-163.8	0	0	0	0	0	112.6	S73 I78 H80 R97	S73-G95 VanDerWaalsContact OG-CA 3.32Å; S73-G95 WeakPolarHBondContact OG-CA 3.46Å; I78-G95 PolarHBondContact O-N 3.24Å; H80-G95 PolarHBondContact CD2-O 3.12Å; G95-R97 PolarHBondContact O-N 3.18Å
96	I	95.1	Very high	88.9	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.283	C	S	.	.			trans	-61	132.3	-176.4	-56.1	166.1	0	0	0	111.3	I70 S73 W98 T110 R126 P232	I70-I96 HydrophobicContact CG2-CD1 4.16Å; S73-I96 PolarHBondContact OG-N 3.11Å; I96-W98 HydrophobicContact CB-CZ2 4.07Å; I96-W98 HydrophobicContact CD1-CZ2 4Å; I96-W98 HydrophobicContact CG2-CD2 4.05Å; I96-W98 VanDerWaalsContact CG2-CE2 3.47Å; I96-W98 HydrophobicContact CG2-CG 4.49Å; I96-W98 HydrophobicContact CG2-CH2 4.34Å; I96-W98 HydrophobicContact CG2-CZ2 3.67Å; I96-W98 PolarHBondContact O-NE1 3.28Å; I96-W98 VanDerWaalsContact O-NE1 3.17Å; I96-T110 PolarHBondContact O-OG1 2.97Å; I96-R126 HydrophobicContact CG2-CG 3.97Å; I96-P232 HydrophobicContact CD1-CG 3.68Å; I96-P232 HydrophobicContact CG1-CG 4.48Å
97	R	96.8	Very high	89.1	Confident	47 Å²	47	52.3 Å²	52.3	18%	0.177	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	134.9	170.4	172.5	-178.1	-177.4	-176.2	12	111.4	T83 I93 G95 D107 I127	T83-R97 VanDerWaalsContact CG2-CZ 3.44Å; I93-R97 HydrophobicContact CD1-CG 4.24Å; I93-R97 HydrophobicContact CG2-CB 4.38Å; G95-R97 PolarHBondContact O-N 3.18Å; R97-D107 WeakPolarHBondContact CG-OD1 3.39Å; R97-D107 IonicContact CZ-OD1 2.69Å; R97-D107 IonicContact CZ-OD2 2.79Å; R97-D107 IonicContact NE-OD1 3.7Å; R97-D107 PolarHBondContact NE-OD1 3.37Å; R97-D107 IonicContact NE-OD2 3.44Å; R97-D107 IonicContact NH2-OD1 3.97Å; R97-D107 PolarHBondContact NH2-OD1 3.1Å; R97-D107 IonicContact NH2-OD2 2.89Å; R97-D107 PolarHBondContact NH2-OD2 3.25Å; R97-I127 HydrophobicContact CB-CB 4.23Å; R97-I127 HydrophobicContact CG-CB 4.47Å; R97-I127 HydrophobicContact CG-CD1 4.41Å; R97-I127 PolarHBondContact N-O 3.01Å; R97-I127 VanDerWaalsContact N-O 3.09Å; R97-I127 PolarHBondContact O-N 2.86Å
98	W	96.8	Very high	89.8	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	95	-179.4	-50.2	82.4	0	0	0	109.6	I96 L108 T110 Y113 H114 F124 Y125 R126 L137 H230	I96-W98 HydrophobicContact CB-CZ2 4.07Å; I96-W98 HydrophobicContact CD1-CZ2 4Å; I96-W98 HydrophobicContact CG2-CD2 4.05Å; I96-W98 VanDerWaalsContact CG2-CE2 3.47Å; I96-W98 HydrophobicContact CG2-CG 4.49Å; I96-W98 HydrophobicContact CG2-CH2 4.34Å; I96-W98 HydrophobicContact CG2-CZ2 3.67Å; I96-W98 PolarHBondContact O-NE1 3.28Å; I96-W98 VanDerWaalsContact O-NE1 3.17Å; W98-L108 HydrophobicContact CB-CB 4.3Å; W98-L108 PolarHBondContact N-O 3.13Å; W98-L108 PolarHBondContact O-N 3.16Å; W98-T110 VanDerWaalsContact NE1-CA 3.33Å; W98-T110 PolarHBondContact NE1-OG1 3.43Å; W98-Y113 HydrophobicContact CB-CD2 3.61Å; W98-Y113 HydrophobicContact CB-CE2 4.22Å; W98-Y113 HydrophobicContact CB-CG 3.84Å; W98-Y113 AromaticContact CD2-CD1 3.41Å; W98-Y113 HydrophobicContact CD2-CD1 3.41Å; W98-Y113 VanDerWaalsContact CD2-CD1 3.41Å; W98-Y113 AromaticContact CD2-CD2 3.99Å; W98-Y113 HydrophobicContact CD2-CD2 3.99Å; W98-Y113 AromaticContact CD2-CE1 3.83Å; W98-Y113 HydrophobicContact CD2-CE1 3.83Å; W98-Y113 HydrophobicContact CD2-CE2 4.33Å; W98-Y113 AromaticContact CD2-CG 3.51Å; W98-Y113 HydrophobicContact CD2-CG 3.51Å; W98-Y113 AromaticContact CE2-CD1 3.73Å; W98-Y113 AromaticContact CE3-CD1 3.4Å; W98-Y113 HydrophobicContact CE3-CD1 3.4Å; W98-Y113 VanDerWaalsContact CE3-CD1 3.4Å; W98-Y113 HydrophobicContact CE3-CD2 4.05Å; W98-Y113 AromaticContact CE3-CE1 3.27Å; W98-Y113 HydrophobicContact CE3-CE1 3.27Å; W98-Y113 AromaticContact CE3-CE2 3.91Å; W98-Y113 HydrophobicContact CE3-CE2 3.91Å; W98-Y113 AromaticContact CE3-CG 3.8Å; W98-Y113 HydrophobicContact CE3-CG 3.8Å; W98-Y113 AromaticContact CE3-CZ 3.51Å; W98-Y113 AromaticContact CG-CD1 3.98Å; W98-Y113 HydrophobicContact CG-CD1 3.98Å; W98-Y113 AromaticContact CG-CD2 3.84Å; W98-Y113 HydrophobicContact CG-CD2 3.84Å; W98-Y113 HydrophobicContact CG-CE2 4.5Å; W98-Y113 AromaticContact CG-CG 3.53Å; W98-Y113 HydrophobicContact CG-CG 3.53Å; W98-Y113 AromaticContact CH2-CD1 3.98Å; W98-Y113 HydrophobicContact CH2-CD1 3.98Å; W98-Y113 AromaticContact CH2-CE1 3.91Å; W98-Y113 HydrophobicContact CH2-CE1 3.91Å; W98-Y113 AromaticContact CZ2-CD1 4Å; W98-Y113 HydrophobicContact CZ2-CD1 4Å; W98-Y113 HydrophobicContact CZ2-CE1 4.4Å; W98-Y113 AromaticContact CZ3-CD1 3.7Å; W98-Y113 HydrophobicContact CZ3-CD1 3.7Å; W98-Y113 AromaticContact CZ3-CE1 3.32Å; W98-Y113 HydrophobicContact CZ3-CE1 3.32Å; W98-Y113 AromaticContact CZ3-CZ 3.86Å; W98-H114 AromaticContact CZ2-NE2 3.99Å; W98-F124 HydrophobicContact CB-CD1 4.07Å; W98-F124 WeakPolarHBondContact O-CD1 3.36Å; W98-Y125 CarbonylContact C-O 3.54Å; W98-Y125 WeakPolarHBondContact CA-O 3.45Å; W98-R126 HydrophobicContact CE3-CB 4.34Å; W98-R126 HydrophobicContact CZ3-CB 4.26Å; W98-R126 HydrophobicContact CZ3-CG 4.21Å; W98-L137 HydrophobicContact CE3-CD1 4.03Å; W98-L137 HydrophobicContact CZ3-CD1 3.66Å; W98-H230 HydrophobicContact CH2-CB 4.43Å; W98-H230 HydrophobicContact CZ3-CB 4.11Å
99	K	95.9	Very high	90.6	Very high	40 Å²	40	46.7 Å²	46.7	17%	0.174	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	132.2	-178.2	-166.6	163.5	-169.6	59.5	0	111.1	A101 N105 Y106 D107 F124 Y125 I127	K99-A101 PolarHBondContact O-N 2.99Å; K99-N105 PolarHBondContact NZ-OD1 3Å; K99-Y106 WeakPolarHBondContact CG-O 3.24Å; K99-D107 VanDerWaalsContact CA-OD1 3.3Å; K99-D107 WeakPolarHBondContact CA-OD1 3.33Å; K99-D107 WeakPolarHBondContact CB-OD1 3.41Å; K99-D107 WeakPolarHBondContact CG-OD1 3.44Å; K99-D107 IonicContact NZ-OD2 3.73Å; K99-D107 PolarHBondContact NZ-OD2 2.84Å; K99-F124 VanDerWaalsContact C-CD1 3.44Å; K99-F124 CarbonylContact O-C 3.54Å; K99-F124 WeakPolarHBondContact O-CA 3.37Å; K99-F124 WeakPolarHBondContact O-CD1 3.39Å; K99-Y125 PolarHBondContact N-O 3.46Å; K99-Y125 PolarHBondContact O-N 2.69Å; K99-I127 HydrophobicContact CB-CD1 4.47Å
100	C	92.4	Very high	90.8	Very high	5 Å²	5	39.3 Å²	39.3	3%	0.034	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	131.6	174.4	-172.5	0	0	0	0	109.8	C103 Y106 H118 F124	C100-C103 HydrophobicContact CB-CB 4.09Å; C100-C103 VanDerWaalsContact SG-SG 3.61Å; C100-Y106 HydrophobicContact CB-CD1 4.12Å; C100-Y106 HydrophobicContact CB-CG 4.48Å; C100-Y106 PolarHBondContact N-O 3.09Å; C100-H118 PolarHBondContact SG-NE2 2.98Å; C100-F124 HydrophobicContact CB-CD1 4.36Å; C100-F124 HydrophobicContact CB-CE1 3.97Å; C100-F124 HydrophobicContact CB-CZ 4.06Å
101	A	86.1	Confident	91	Very high	39 Å²	39	41 Å²	41	32%	0.322	22%	0.221	S	C	.	.	S	Bend	trans	-81.5	-25.3	177.2	0	0	0	0	0	112.5	K99 R123 Y125 L136	K99-A101 PolarHBondContact O-N 2.99Å; A101-R123 HydrophobicContact CB-CB 4.28Å; A101-R123 WeakPolarHBondContact CB-O 3.28Å; A101-R123 PolarHBondContact N-O 2.98Å; A101-Y125 HydrophobicContact CB-CD2 3.82Å; A101-Y125 HydrophobicContact CB-CE2 3.54Å; A101-L136 HydrophobicContact CB-CD1 3.62Å
102	E	86.1	Confident	90.9	Very high	100 Å²	100	35.1 Å²	35.1	47%	0.467	20%	0.195	S	C	.	.	S	Bend	trans	-102.3	8.5	-174.1	-70.9	161.7	-130.8	0	0	113.7	H122 R123	E102-H122 HydrophobicContact CB-CB 4.16Å; E102-H122 WeakPolarHBondContact OE1-CA 3.46Å; E102-H122 WeakPolarHBondContact OE2-CA 3.23Å; E102-H122 IonicContact OE2-CD2 2.69Å; E102-H122 PolarHBondContact OE2-CD2 3.32Å; E102-H122 IonicContact OE2-CG 3.8Å; E102-H122 IonicContact OE2-NE2 3.64Å; E102-R123 WeakPolarHBondContact OE1-CB 3.37Å; E102-R123 WeakPolarHBondContact OE1-CG 3.36Å; E102-R123 PolarHBondContact OE1-N 3.32Å
103	C	77.1	Confident	91	Very high	32 Å²	32	33.6 Å²	33.6	22%	0.216	19%	0.185	C	C	.	.	S	Bend	trans	-138.3	130.4	-179.6	-62.1	0	0	0	0	111.4	C100 N105 Y106 H118 H122	C100-C103 HydrophobicContact CB-CB 4.09Å; C100-C103 VanDerWaalsContact SG-SG 3.61Å; C103-N105 PolarHBondContact O-N 2.93Å; C103-N105 VanDerWaalsContact O-N 3.16Å; C103-Y106 PolarHBondContact O-N 3.37Å; C103-H118 PolarHBondContact SG-CE1 2.8Å; C103-H118 PolarHBondContact SG-NE2 3.18Å; C103-H122 PolarHBondContact SG-CE1 3.01Å; C103-H122 PolarHBondContact SG-ND1 2.79Å
104	T	85	Confident	90.9	Very high	147 Å²	147	34.3 Å²	34.3	90%	0.902	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.7	119.6	177.5	-49.3	0	0	0	0	110.7	Y106	T104-Y106 VanDerWaalsContact C-N 3.28Å; T104-Y106 PolarHBondContact O-N 3.15Å; T104-Y106 VanDerWaalsContact O-N 3.11Å
105	N	82.7	Confident	90.5	Very high	121 Å²	121	35 Å²	35	65%	0.647	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.9	27.5	178.1	-154.7	35.3	0	0	0	118.7	K99 C103	K99-N105 PolarHBondContact NZ-OD1 3Å; C103-N105 PolarHBondContact O-N 2.93Å; C103-N105 VanDerWaalsContact O-N 3.16Å
106	Y	89.5	Confident	90.3	Very high	48 Å²	48	38 Å²	38	19%	0.188	22%	0.217	C	C	.	.			trans	-90.3	134.5	179.1	-165.7	-81.2	0	0	0	112.9	D86 T87 K99 C100 C103 T104 L108 H118	D86-Y106 HydrophobicContact CB-CD2 3.92Å; D86-Y106 HydrophobicContact CB-CE1 4.2Å; D86-Y106 HydrophobicContact CB-CE2 3.5Å; D86-Y106 HydrophobicContact CB-CG 4.44Å; D86-Y106 WeakPolarHBondContact OD2-CA 3.43Å; T87-Y106 PolarHBondContact OG1-OH 3.3Å; T87-Y106 VanDerWaalsContact OG1-OH 3.13Å; K99-Y106 WeakPolarHBondContact CG-O 3.24Å; C100-Y106 HydrophobicContact CB-CD1 4.12Å; C100-Y106 HydrophobicContact CB-CG 4.48Å; C100-Y106 PolarHBondContact N-O 3.09Å; C103-Y106 PolarHBondContact O-N 3.37Å; T104-Y106 VanDerWaalsContact C-N 3.28Å; T104-Y106 PolarHBondContact O-N 3.15Å; T104-Y106 VanDerWaalsContact O-N 3.11Å; Y106-L108 HydrophobicContact CE1-CD2 3.74Å; Y106-L108 HydrophobicContact CE1-CG 3.95Å; Y106-H118 AromaticContact CD2-CE1 3.96Å; Y106-H118 HydrophobicContact CE1-CB 3.7Å; Y106-H118 AromaticContact CE1-CG 3.54Å; Y106-H118 AromaticContact CE1-ND1 3.58Å; Y106-H118 AromaticContact CE2-ND1 3.93Å; Y106-H118 AromaticContact CZ-CG 3.9Å; Y106-H118 AromaticContact CZ-ND1 3.51Å
107	D	93.4	Very high	89.9	Confident	4 Å²	4	43 Å²	43	2%	0.021	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	144.4	-174.1	-88.1	-71.1	0	0	0	114	C85 D86 I93 R97 K99	C85-D107 WeakPolarHBondContact CA-O 3.44Å; D86-D107 PolarHBondContact N-O 2.91Å; D86-D107 PolarHBondContact OD2-N 2.89Å; I93-D107 HydrophobicContact CD1-CB 3.99Å; R97-D107 WeakPolarHBondContact CG-OD1 3.39Å; R97-D107 IonicContact CZ-OD1 2.69Å; R97-D107 IonicContact CZ-OD2 2.79Å; R97-D107 IonicContact NE-OD1 3.7Å; R97-D107 PolarHBondContact NE-OD1 3.37Å; R97-D107 IonicContact NE-OD2 3.44Å; R97-D107 IonicContact NH2-OD1 3.97Å; R97-D107 PolarHBondContact NH2-OD1 3.1Å; R97-D107 IonicContact NH2-OD2 2.89Å; R97-D107 PolarHBondContact NH2-OD2 3.25Å; K99-D107 VanDerWaalsContact CA-OD1 3.3Å; K99-D107 WeakPolarHBondContact CA-OD1 3.33Å; K99-D107 WeakPolarHBondContact CB-OD1 3.41Å; K99-D107 WeakPolarHBondContact CG-OD1 3.44Å; K99-D107 IonicContact NZ-OD2 3.73Å; K99-D107 PolarHBondContact NZ-OD2 2.84Å
108	L	92.8	Very high	89.5	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	149.7	175.7	-64.4	-178.3	0	0	0	112.7	T87 W98 Y106 C112 Y113 K117 H118 F124	T87-L108 WeakPolarHBondContact OG1-CD2 3.48Å; W98-L108 HydrophobicContact CB-CB 4.3Å; W98-L108 PolarHBondContact N-O 3.13Å; W98-L108 PolarHBondContact O-N 3.16Å; Y106-L108 HydrophobicContact CE1-CD2 3.74Å; Y106-L108 HydrophobicContact CE1-CG 3.95Å; L108-C112 HydrophobicContact CB-CB 4.37Å; L108-C112 HydrophobicContact CD2-CB 3.95Å; L108-Y113 HydrophobicContact CD1-CD2 4.45Å; L108-K117 WeakPolarHBondContact CD1-O 3.45Å; L108-H118 HydrophobicContact CD1-CB 4.08Å; L108-F124 HydrophobicContact CB-CE1 4.44Å; L108-F124 HydrophobicContact CD1-CE1 3.77Å; L108-F124 HydrophobicContact CD1-CZ 3.8Å; L108-F124 HydrophobicContact CG-CE1 4.04Å; L108-F124 HydrophobicContact CG-CZ 4.45Å
109	C	94.8	Very high	88.7	Confident	3 Å²	3	48.2 Å²	48.2	2%	0.02	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	165	163	69.9	0	0	0	0	111.6	C85 Q90 I93 T111 C112 Y113	C85-C109 HydrophobicContact CB-CB 4.16Å; C85-C109 PolarHBondContact SG-N 3.45Å; Q90-C109 PolarHBondContact OE1-SG 3.13Å; I93-C109 HydrophobicContact CG2-CB 3.87Å; C109-T111 VanDerWaalsContact C-N 3.33Å; C109-T111 PolarHBondContact O-N 3.1Å; C109-C112 PolarHBondContact O-N 3.38Å; C109-C112 VanDerWaalsContact O-N 3.1Å; C109-Y113 WeakPolarHBondContact O-CB 3.29Å; C109-Y113 PolarHBondContact O-N 3.07Å
110	T	94.1	Very high	87.7	Confident	8 Å²	8	48.9 Å²	48.9	5%	0.049	27%	0.27	C	S	.	.	H	α-helix	trans	-47.8	-48.7	-179.9	-52.4	0	0	0	0	113.6	L71 I96 W98 C112 Y113 H114	L71-T110 WeakPolarHBondContact O-CG2 3.29Å; I96-T110 PolarHBondContact O-OG1 2.97Å; W98-T110 VanDerWaalsContact NE1-CA 3.33Å; W98-T110 PolarHBondContact NE1-OG1 3.43Å; T110-C112 VanDerWaalsContact C-N 3.35Å; T110-C112 PolarHBondContact O-N 2.92Å; T110-Y113 PolarHBondContact O-N 3.07Å; T110-H114 PolarHBondContact O-N 2.49Å
111	T	91.1	Very high	87	Confident	79 Å²	79	56.8 Å²	56.8	49%	0.485	30%	0.3	S	S	.	.	H	α-helix	trans	-61.2	-40.2	-178.8	-47	0	0	0	0	112.4	C109 G115 H190	C109-T111 VanDerWaalsContact C-N 3.33Å; C109-T111 PolarHBondContact O-N 3.1Å; T111-G115 VanDerWaalsContact O-CA 3.27Å; T111-G115 WeakPolarHBondContact O-CA 3.44Å; T111-G115 PolarHBondContact O-N 2.84Å; T111-H190 PolarHBondContact OG1-CE1 2.87Å; T111-H190 VanDerWaalsContact OG1-CE1 3.24Å
112	C	88.1	Confident	87	Confident	10 Å²	10	56.8 Å²	56.8	7%	0.068	29%	0.293	C	S	.	.	H	α-helix	trans	-76.9	-36	176.5	-71.4	0	0	0	0	112.5	L108 C109 T110 G115 D116 K117	L108-C112 HydrophobicContact CB-CB 4.37Å; L108-C112 HydrophobicContact CD2-CB 3.95Å; C109-C112 PolarHBondContact O-N 3.38Å; C109-C112 VanDerWaalsContact O-N 3.1Å; T110-C112 VanDerWaalsContact C-N 3.35Å; T110-C112 PolarHBondContact O-N 2.92Å; C112-G115 CarbonylContact O-C 3.47Å; C112-G115 PolarHBondContact O-N 3.15Å; C112-D116 PolarHBondContact O-N 2.98Å; C112-K117 HydrophobicContact CB-CB 4.07Å; C112-K117 HydrophobicContact CB-CG 3.98Å; C112-K117 WeakPolarHBondContact O-CB 3.38Å; C112-K117 WeakPolarHBondContact O-CG 3.48Å; C112-K117 PolarHBondContact O-N 3.1Å
113	Y	94.9	Very high	87.2	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-66.7	-44	-179.8	-178	-100.5	0	0	0	112.5	W98 L108 C109 T110 F124 R140 Y227 H230	W98-Y113 HydrophobicContact CB-CD2 3.61Å; W98-Y113 HydrophobicContact CB-CE2 4.22Å; W98-Y113 HydrophobicContact CB-CG 3.84Å; W98-Y113 AromaticContact CD2-CD1 3.41Å; W98-Y113 HydrophobicContact CD2-CD1 3.41Å; W98-Y113 VanDerWaalsContact CD2-CD1 3.41Å; W98-Y113 AromaticContact CD2-CD2 3.99Å; W98-Y113 HydrophobicContact CD2-CD2 3.99Å; W98-Y113 AromaticContact CD2-CE1 3.83Å; W98-Y113 HydrophobicContact CD2-CE1 3.83Å; W98-Y113 HydrophobicContact CD2-CE2 4.33Å; W98-Y113 AromaticContact CD2-CG 3.51Å; W98-Y113 HydrophobicContact CD2-CG 3.51Å; W98-Y113 AromaticContact CE2-CD1 3.73Å; W98-Y113 AromaticContact CE3-CD1 3.4Å; W98-Y113 HydrophobicContact CE3-CD1 3.4Å; W98-Y113 VanDerWaalsContact CE3-CD1 3.4Å; W98-Y113 HydrophobicContact CE3-CD2 4.05Å; W98-Y113 AromaticContact CE3-CE1 3.27Å; W98-Y113 HydrophobicContact CE3-CE1 3.27Å; W98-Y113 AromaticContact CE3-CE2 3.91Å; W98-Y113 HydrophobicContact CE3-CE2 3.91Å; W98-Y113 AromaticContact CE3-CG 3.8Å; W98-Y113 HydrophobicContact CE3-CG 3.8Å; W98-Y113 AromaticContact CE3-CZ 3.51Å; W98-Y113 AromaticContact CG-CD1 3.98Å; W98-Y113 HydrophobicContact CG-CD1 3.98Å; W98-Y113 AromaticContact CG-CD2 3.84Å; W98-Y113 HydrophobicContact CG-CD2 3.84Å; W98-Y113 HydrophobicContact CG-CE2 4.5Å; W98-Y113 AromaticContact CG-CG 3.53Å; W98-Y113 HydrophobicContact CG-CG 3.53Å; W98-Y113 AromaticContact CH2-CD1 3.98Å; W98-Y113 HydrophobicContact CH2-CD1 3.98Å; W98-Y113 AromaticContact CH2-CE1 3.91Å; W98-Y113 HydrophobicContact CH2-CE1 3.91Å; W98-Y113 AromaticContact CZ2-CD1 4Å; W98-Y113 HydrophobicContact CZ2-CD1 4Å; W98-Y113 HydrophobicContact CZ2-CE1 4.4Å; W98-Y113 AromaticContact CZ3-CD1 3.7Å; W98-Y113 HydrophobicContact CZ3-CD1 3.7Å; W98-Y113 AromaticContact CZ3-CE1 3.32Å; W98-Y113 HydrophobicContact CZ3-CE1 3.32Å; W98-Y113 AromaticContact CZ3-CZ 3.86Å; L108-Y113 HydrophobicContact CD1-CD2 4.45Å; C109-Y113 WeakPolarHBondContact O-CB 3.29Å; C109-Y113 PolarHBondContact O-N 3.07Å; T110-Y113 PolarHBondContact O-N 3.07Å; Y113-F124 AromaticContact CD2-CD1 3.92Å; Y113-F124 HydrophobicContact CD2-CD1 3.92Å; Y113-F124 HydrophobicContact CD2-CE1 4.14Å; Y113-F124 HydrophobicContact CD2-CG 4.14Å; Y113-F124 HydrophobicContact CE2-CB 3.72Å; Y113-F124 AromaticContact CE2-CD1 3.78Å; Y113-F124 HydrophobicContact CE2-CD1 3.78Å; Y113-F124 AromaticContact CE2-CD2 3.85Å; Y113-F124 HydrophobicContact CE2-CD2 3.85Å; Y113-F124 HydrophobicContact CE2-CE1 4.32Å; Y113-F124 HydrophobicContact CE2-CE2 4.39Å; Y113-F124 AromaticContact CE2-CG 3.51Å; Y113-F124 HydrophobicContact CE2-CG 3.51Å; Y113-R140 HydrophobicContact CE1-CG 4.39Å; Y113-R140 VanDerWaalsContact CE2-CD 3.47Å; Y113-R140 HydrophobicContact CE2-CG 4.03Å; Y113-R140 WeakPolarHBondContact O-CD 3.35Å; Y113-R140 PolarHBondContact O-NH1 3.49Å; Y113-Y227 HydrophobicContact CE1-CD2 4.37Å; Y113-H230 HydrophobicContact CE1-CB 4.36Å; Y113-H230 AromaticContact CE1-ND1 3.97Å; Y113-H230 AromaticContact CZ-ND1 3.8Å; Y113-H230 PolarHBondContact OH-ND1 2.88Å
114	H	90.2	Very high	88	Confident	14 Å²	14	54.6 Å²	54.6	7%	0.065	28%	0.276	C	S	.	.	H	α-helix	trans	-82.7	-22.9	173.5	-67.6	-27.3	0	0	0	112.9	W98 T110 D116 K145 F226 Y227	W98-H114 AromaticContact CZ2-NE2 3.99Å; T110-H114 PolarHBondContact O-N 2.49Å; H114-D116 PolarHBondContact O-N 2.31Å; H114-K145 VanDerWaalsContact O-CE 3.27Å; H114-K145 WeakPolarHBondContact O-CE 3.38Å; H114-K145 PolarHBondContact O-NZ 3.43Å; H114-F226 HydrophobicContact CB-CB 4.25Å; H114-Y227 AromaticContact ND1-CD2 3.77Å; H114-Y227 PolarHBondContact ND1-N 2.77Å
115	G	84.1	Confident	88.5	Confident	38 Å²	38	50.2 Å²	50.2	39%	0.392	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	21.1	170.2	0	0	0	0	0	115.2	T111 C112 K117	T111-G115 VanDerWaalsContact O-CA 3.27Å; T111-G115 WeakPolarHBondContact O-CA 3.44Å; T111-G115 PolarHBondContact O-N 2.84Å; C112-G115 CarbonylContact O-C 3.47Å; C112-G115 PolarHBondContact O-N 3.15Å; G115-K117 WeakPolarHBondContact O-CE 3.47Å; G115-K117 PolarHBondContact O-N 3.06Å; G115-K117 VanDerWaalsContact O-N 3.12Å
116	D	89.3	Confident	89.1	Confident	63 Å²	63	45.1 Å²	45.1	34%	0.337	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	53	30.5	174.7	-62.6	-12.7	0	0	0	115.6	C112 H114 L120 K145 Y227	C112-D116 PolarHBondContact O-N 2.98Å; H114-D116 PolarHBondContact O-N 2.31Å; D116-L120 HydrophobicContact CB-CD1 4.32Å; D116-L120 HydrophobicContact CB-CD2 3.88Å; D116-K145 WeakPolarHBondContact OD1-CE 3.21Å; D116-K145 IonicContact OD1-NZ 3.39Å; D116-K145 PolarHBondContact OD1-NZ 2.9Å; D116-K145 IonicContact OD2-NZ 3.32Å; D116-K145 PolarHBondContact OD2-NZ 3.07Å; D116-Y227 WeakPolarHBondContact OD1-CE2 3.32Å; D116-Y227 PolarHBondContact OD1-OH 3.11Å
117	K	86.6	Confident	89.2	Confident	104 Å²	104	43.9 Å²	43.9	45%	0.452	21%	0.211	S	C	.	.			trans	-80.9	151.6	174.7	-51.6	-56.9	178.9	-179	0	111.3	T87 L108 C112 G115 R140	T87-K117 HydrophobicContact CG2-CB 3.8Å; T87-K117 HydrophobicContact CG2-CD 4.03Å; T87-K117 HydrophobicContact CG2-CG 3.71Å; L108-K117 WeakPolarHBondContact CD1-O 3.45Å; C112-K117 HydrophobicContact CB-CB 4.07Å; C112-K117 HydrophobicContact CB-CG 3.98Å; C112-K117 WeakPolarHBondContact O-CB 3.38Å; C112-K117 WeakPolarHBondContact O-CG 3.48Å; C112-K117 PolarHBondContact O-N 3.1Å; G115-K117 WeakPolarHBondContact O-CE 3.47Å; G115-K117 PolarHBondContact O-N 3.06Å; G115-K117 VanDerWaalsContact O-N 3.12Å; K117-R140 VanDerWaalsContact O-CZ 3.23Å; K117-R140 PolarHBondContact O-NH1 3.47Å; K117-R140 PolarHBondContact O-NH2 3.46Å
118	H	88.4	Confident	88.9	Confident	46 Å²	46	44.7 Å²	44.7	21%	0.213	22%	0.216	C	C	.	.	S	Bend	trans	58.9	167.4	-166.4	-164.2	66.4	0	0	0	113.9	C100 C103 Y106 L108 L120 H122 F124 R140	C100-H118 PolarHBondContact SG-NE2 2.98Å; C103-H118 PolarHBondContact SG-CE1 2.8Å; C103-H118 PolarHBondContact SG-NE2 3.18Å; Y106-H118 AromaticContact CD2-CE1 3.96Å; Y106-H118 HydrophobicContact CE1-CB 3.7Å; Y106-H118 AromaticContact CE1-CG 3.54Å; Y106-H118 AromaticContact CE1-ND1 3.58Å; Y106-H118 AromaticContact CE2-ND1 3.93Å; Y106-H118 AromaticContact CZ-CG 3.9Å; Y106-H118 AromaticContact CZ-ND1 3.51Å; L108-H118 HydrophobicContact CD1-CB 4.08Å; H118-L120 PolarHBondContact O-N 3.45Å; H118-H122 AromaticContact NE2-CE1 3.69Å; H118-H122 AromaticContact NE2-CG 3.79Å; H118-H122 AromaticContact NE2-ND1 2.85Å; H118-H122 PolarHBondContact NE2-ND1 2.98Å; H118-F124 HydrophobicContact CB-CZ 4.25Å; H118-F124 AromaticContact CD2-CE2 3.97Å; H118-F124 AromaticContact CD2-CZ 3.6Å; H118-R140 PolarHBondContact O-NH2 3.28Å; H118-R140 VanDerWaalsContact O-NH2 3.11Å
119	H	79.5	Confident	88.6	Confident	111 Å²	111	46.5 Å²	46.5	51%	0.514	23%	0.227	S	C	.	.			trans	-51.3	124.5	-179	-59.3	95.3	0	0	0	113	R121 H122 R140	H119-R121 VanDerWaalsContact C-N 3.31Å; H119-H122 HydrophobicContact CB-CB 4.29Å; H119-H122 AromaticContact CG-CE1 3.85Å; H119-H122 AromaticContact CG-NE2 3.73Å; H119-H122 AromaticContact ND1-CE1 3.69Å; H119-H122 PolarHBondContact O-N 2.75Å; H119-R140 PolarHBondContact O-NH2 3.42Å
120	L	75.8	Confident	87.8	Confident	55 Å²	55	50.5 Å²	50.5	29%	0.288	25%	0.253	S	S	.	.	S	Bend	trans	-77.4	-17.2	177.2	-58.2	-177.4	0	0	0	113.2	D116 H118 R140 R141	D116-L120 HydrophobicContact CB-CD1 4.32Å; D116-L120 HydrophobicContact CB-CD2 3.88Å; H118-L120 PolarHBondContact O-N 3.45Å; L120-R140 HydrophobicContact CB-CB 4.37Å; L120-R140 HydrophobicContact CD2-CB 4.08Å; L120-R140 PolarHBondContact O-N 2.99Å; L120-R141 HydrophobicContact CB-CB 4.08Å; L120-R141 WeakPolarHBondContact O-CB 3.37Å; L120-R141 PolarHBondContact O-N 2.99Å
121	R	77.2	Confident	86.7	Confident	171 Å²	171	53.7 Å²	53.7	65%	0.645	29%	0.288	S	S	*	.	S	Bend	trans	-72.5	-29.7	171.1	-80.1	-177.5	172.5	165.7	-2.6	112.2	H119 S139	H119-R121 VanDerWaalsContact C-N 3.31Å; R121-S139 WeakPolarHBondContact O-CB 3.43Å
122	H	85.6	Confident	85.8	Confident	38 Å²	38	51.8 Å²	51.8	18%	0.176	28%	0.278	C	S	.	.	S	Bend	trans	-72.7	138.7	-175.9	-63.5	-166.6	0	0	0	110.6	E102 C103 H118 H119 F124	E102-H122 HydrophobicContact CB-CB 4.16Å; E102-H122 WeakPolarHBondContact OE1-CA 3.46Å; E102-H122 WeakPolarHBondContact OE2-CA 3.23Å; E102-H122 IonicContact OE2-CD2 2.69Å; E102-H122 PolarHBondContact OE2-CD2 3.32Å; E102-H122 IonicContact OE2-CG 3.8Å; E102-H122 IonicContact OE2-NE2 3.64Å; C103-H122 PolarHBondContact SG-CE1 3.01Å; C103-H122 PolarHBondContact SG-ND1 2.79Å; H118-H122 AromaticContact NE2-CE1 3.69Å; H118-H122 AromaticContact NE2-CG 3.79Å; H118-H122 AromaticContact NE2-ND1 2.85Å; H118-H122 PolarHBondContact NE2-ND1 2.98Å; H119-H122 HydrophobicContact CB-CB 4.29Å; H119-H122 AromaticContact CG-CE1 3.85Å; H119-H122 AromaticContact CG-NE2 3.73Å; H119-H122 AromaticContact ND1-CE1 3.69Å; H119-H122 PolarHBondContact O-N 2.75Å; H122-F124 HydrophobicContact CB-CE2 4.35Å; H122-F124 WeakPolarHBondContact O-CD2 3.41Å
123	R	90.1	Very high	85.1	Confident	86 Å²	86	57.5 Å²	57.5	33%	0.325	30%	0.304	S	S	.	.			trans	-74.7	154.5	168.5	-60.4	-177.5	81	-179.6	13.4	110.1	A101 E102 L136 L137 E138	A101-R123 HydrophobicContact CB-CB 4.28Å; A101-R123 WeakPolarHBondContact CB-O 3.28Å; A101-R123 PolarHBondContact N-O 2.98Å; E102-R123 WeakPolarHBondContact OE1-CB 3.37Å; E102-R123 WeakPolarHBondContact OE1-CG 3.36Å; E102-R123 PolarHBondContact OE1-N 3.32Å; R123-L136 HydrophobicContact CB-CD1 3.99Å; R123-L137 WeakPolarHBondContact CB-O 3.45Å; R123-L137 PolarHBondContact NE-O 3.13Å; R123-E138 IonicContact CZ-OE1 3.6Å; R123-E138 IonicContact NE-OE1 2.72Å; R123-E138 IonicContact NH2-OE1 2.65Å; R123-E138 PolarHBondContact NH2-OE1 3.14Å
124	F	95.6	Very high	84.5	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	144.8	-177.9	-83.7	-108.4	0	0	0	110.1	W98 K99 C100 L108 Y113 H118 H122 L137	W98-F124 HydrophobicContact CB-CD1 4.07Å; W98-F124 WeakPolarHBondContact O-CD1 3.36Å; K99-F124 VanDerWaalsContact C-CD1 3.44Å; K99-F124 CarbonylContact O-C 3.54Å; K99-F124 WeakPolarHBondContact O-CA 3.37Å; K99-F124 WeakPolarHBondContact O-CD1 3.39Å; C100-F124 HydrophobicContact CB-CD1 4.36Å; C100-F124 HydrophobicContact CB-CE1 3.97Å; C100-F124 HydrophobicContact CB-CZ 4.06Å; L108-F124 HydrophobicContact CB-CE1 4.44Å; L108-F124 HydrophobicContact CD1-CE1 3.77Å; L108-F124 HydrophobicContact CD1-CZ 3.8Å; L108-F124 HydrophobicContact CG-CE1 4.04Å; L108-F124 HydrophobicContact CG-CZ 4.45Å; Y113-F124 AromaticContact CD2-CD1 3.92Å; Y113-F124 HydrophobicContact CD2-CD1 3.92Å; Y113-F124 HydrophobicContact CD2-CE1 4.14Å; Y113-F124 HydrophobicContact CD2-CG 4.14Å; Y113-F124 HydrophobicContact CE2-CB 3.72Å; Y113-F124 AromaticContact CE2-CD1 3.78Å; Y113-F124 HydrophobicContact CE2-CD1 3.78Å; Y113-F124 AromaticContact CE2-CD2 3.85Å; Y113-F124 HydrophobicContact CE2-CD2 3.85Å; Y113-F124 HydrophobicContact CE2-CE1 4.32Å; Y113-F124 HydrophobicContact CE2-CE2 4.39Å; Y113-F124 AromaticContact CE2-CG 3.51Å; Y113-F124 HydrophobicContact CE2-CG 3.51Å; H118-F124 HydrophobicContact CB-CZ 4.25Å; H118-F124 AromaticContact CD2-CE2 3.97Å; H118-F124 AromaticContact CD2-CZ 3.6Å; H122-F124 HydrophobicContact CB-CE2 4.35Å; H122-F124 WeakPolarHBondContact O-CD2 3.41Å; F124-L137 WeakPolarHBondContact O-CB 3.35Å; F124-L137 PolarHBondContact O-N 2.94Å
125	Y	93.9	Very high	84.4	Confident	55 Å²	55	67.9 Å²	67.9	22%	0.216	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	128	161.8	-65.5	-79.1	0	0	0	109.7	W98 K99 A101 R134 V135 L136	W98-Y125 CarbonylContact C-O 3.54Å; W98-Y125 WeakPolarHBondContact CA-O 3.45Å; K99-Y125 PolarHBondContact N-O 3.46Å; K99-Y125 PolarHBondContact O-N 2.69Å; A101-Y125 HydrophobicContact CB-CD2 3.82Å; A101-Y125 HydrophobicContact CB-CE2 3.54Å; Y125-R134 HydrophobicContact CD1-CB 3.71Å; Y125-R134 HydrophobicContact CD1-CG 3.95Å; Y125-R134 WeakPolarHBondContact CD1-O 3.42Å; Y125-R134 HydrophobicContact CE1-CB 4.44Å; Y125-R134 HydrophobicContact CE1-CG 4.18Å; Y125-R134 HydrophobicContact CG-CB 4.02Å; Y125-V135 CarbonylContact C-O 3.58Å; Y125-V135 VanDerWaalsContact CA-O 3.31Å; Y125-V135 WeakPolarHBondContact CA-O 2.88Å; Y125-L136 HydrophobicContact CD1-CB 3.91Å; Y125-L136 HydrophobicContact CD1-CD1 4.14Å; Y125-L136 HydrophobicContact CE1-CB 3.75Å; Y125-L136 HydrophobicContact CE1-CD1 3.98Å; Y125-L136 HydrophobicContact CE1-CG 4.32Å; Y125-L136 HydrophobicContact CE2-CD1 4.39Å; Y125-L136 HydrophobicContact CG-CD1 4.44Å
126	R	95.8	Very high	84.7	Confident	15 Å²	15	69.3 Å²	69.3	6%	0.057	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	132.9	162.7	179.3	179.3	78.4	-152.9	10.6	109.1	I96 W98 V135 L137 H230 E236	I96-R126 HydrophobicContact CG2-CG 3.97Å; W98-R126 HydrophobicContact CE3-CB 4.34Å; W98-R126 HydrophobicContact CZ3-CB 4.26Å; W98-R126 HydrophobicContact CZ3-CG 4.21Å; R126-V135 HydrophobicContact CB-CB 4.45Å; R126-V135 PolarHBondContact N-O 3.49Å; R126-V135 PolarHBondContact O-N 3Å; R126-L137 HydrophobicContact CB-CD1 3.93Å; R126-L137 HydrophobicContact CB-CG 4.26Å; R126-H230 WeakPolarHBondContact CD-O 3.17Å; R126-H230 PolarHBondContact NH1-O 2.67Å; R126-E236 IonicContact CZ-OE2 3.18Å; R126-E236 IonicContact NH2-OE1 2.7Å; R126-E236 IonicContact NH2-OE2 2.85Å; R126-E236 PolarHBondContact NH2-OE2 2.89Å
127	I	91.8	Very high	84.6	Confident	21 Å²	21	66.9 Å²	66.9	11%	0.108	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	99.7	172.3	-51.7	175.7	0	0	0	106	H80 R97 K99 T129 R134	H80-I127 PolarHBondContact NE2-O 2.98Å; R97-I127 HydrophobicContact CB-CB 4.23Å; R97-I127 HydrophobicContact CG-CB 4.47Å; R97-I127 HydrophobicContact CG-CD1 4.41Å; R97-I127 PolarHBondContact N-O 3.01Å; R97-I127 VanDerWaalsContact N-O 3.09Å; R97-I127 PolarHBondContact O-N 2.86Å; K99-I127 HydrophobicContact CB-CD1 4.47Å; I127-T129 WeakPolarHBondContact CG2-O 3.39Å; I127-R134 HydrophobicContact CD1-CB 4.4Å; I127-R134 HydrophobicContact CG1-CB 4.13Å
128	T	87.3	Confident	84.5	Confident	21 Å²	21	65.7 Å²	65.7	13%	0.129	33%	0.33	C	S	.	.			trans	-73.9	-37.8	-167.6	-51.1	0	0	0	0	113.3	I70 P232	I70-T128 HydrophobicContact CD1-CG2 4.38Å; T128-P232 HydrophobicContact CG2-CB 3.98Å; T128-P232 HydrophobicContact CG2-CG 3.64Å
129	T	86	Confident	84.4	Confident	39 Å²	39	63.9 Å²	63.9	24%	0.239	32%	0.323	C	S	.	.	S	Bend	trans	-135.9	162.2	177.8	73.9	0	0	0	0	109.3	I78 H80 I127 G131 S132	I78-T129 HydrophobicContact CD1-CG2 3.63Å; H80-T129 PolarHBondContact CE1-O 3.31Å; I127-T129 WeakPolarHBondContact CG2-O 3.39Å; T129-G131 PolarHBondContact O-N 3.4Å; T129-G131 VanDerWaalsContact O-N 3.09Å; T129-S132 PolarHBondContact N-OG 3.35Å; T129-S132 WeakPolarHBondContact O-CB 3.39Å; T129-S132 PolarHBondContact O-N 3.22Å; T129-S132 PolarHBondContact O-OG 3.32Å; T129-S132 PolarHBondContact OG1-N 3.11Å; T129-S132 PolarHBondContact OG1-OG 3.33Å
130	P	78.1	Confident	84.5	Confident	86 Å²	86	58.7 Å²	58.7	56%	0.558	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-23.2	178.3	-29.2	38	0	0	0	115.5	K79	K79-P130 WeakPolarHBondContact O-CG 3.34Å
131	G	70.9	Confident	84.6	Confident	76 Å²	76	64.4 Å²	64.4	78%	0.784	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.2	7.3	174.3	0	0	0	0	0	115.1	T129	T129-G131 PolarHBondContact O-N 3.4Å; T129-G131 VanDerWaalsContact O-N 3.09Å
132	S	71.8	Confident	84.6	Confident	39 Å²	39	63.9 Å²	63.9	27%	0.273	32%	0.319	S	S	.	.			trans	-76.6	140.6	177.4	-65.8	0	0	0	0	112	T129	T129-S132 PolarHBondContact N-OG 3.35Å; T129-S132 WeakPolarHBondContact O-CB 3.39Å; T129-S132 PolarHBondContact O-N 3.22Å; T129-S132 PolarHBondContact O-OG 3.32Å; T129-S132 PolarHBondContact OG1-N 3.11Å; T129-S132 PolarHBondContact OG1-OG 3.33Å
133	E	74.8	Confident	84.2	Confident	130 Å²	130	63.2 Å²	63.2	61%	0.607	32%	0.318	S	S	*	.			trans	-61.3	151.7	164.7	-70.2	-172.7	116.8	0	0	111.7	V135 N238	E133-V135 PolarHBondContact O-N 3.04Å; E133-N238 PolarHBondContact OE2-ND2 2.69Å
134	R	82	Confident	83.8	Confident	172 Å²	172	65.9 Å²	65.9	65%	0.649	33%	0.332	S	S	*	.			trans	-80.1	101.3	-178.9	53.7	170.1	178.4	172.1	-3.5	111.7	Y125 I127 L136	Y125-R134 HydrophobicContact CD1-CB 3.71Å; Y125-R134 HydrophobicContact CD1-CG 3.95Å; Y125-R134 WeakPolarHBondContact CD1-O 3.42Å; Y125-R134 HydrophobicContact CE1-CB 4.44Å; Y125-R134 HydrophobicContact CE1-CG 4.18Å; Y125-R134 HydrophobicContact CG-CB 4.02Å; I127-R134 HydrophobicContact CD1-CB 4.4Å; I127-R134 HydrophobicContact CG1-CB 4.13Å; R134-L136 PolarHBondContact O-N 3.02Å
135	V	87.1	Confident	83.5	Confident	59 Å²	59	68.8 Å²	68.8	36%	0.358	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	113	-179.4	-178.1	0	0	0	0	110.5	Y125 R126 E133 L137	Y125-V135 CarbonylContact C-O 3.58Å; Y125-V135 VanDerWaalsContact CA-O 3.31Å; Y125-V135 WeakPolarHBondContact CA-O 2.88Å; R126-V135 HydrophobicContact CB-CB 4.45Å; R126-V135 PolarHBondContact N-O 3.49Å; R126-V135 PolarHBondContact O-N 3Å; E133-V135 PolarHBondContact O-N 3.04Å; V135-L137 HydrophobicContact CG1-CD2 4.33Å
136	L	90.6	Very high	83.1	Confident	68 Å²	68	68 Å²	68	36%	0.356	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	126.1	178.4	-175.7	60.9	0	0	0	111.4	A101 R123 Y125 R134	A101-L136 HydrophobicContact CB-CD1 3.62Å; R123-L136 HydrophobicContact CB-CD1 3.99Å; Y125-L136 HydrophobicContact CD1-CB 3.91Å; Y125-L136 HydrophobicContact CD1-CD1 4.14Å; Y125-L136 HydrophobicContact CE1-CB 3.75Å; Y125-L136 HydrophobicContact CE1-CD1 3.98Å; Y125-L136 HydrophobicContact CE1-CG 4.32Å; Y125-L136 HydrophobicContact CE2-CD1 4.39Å; Y125-L136 HydrophobicContact CG-CD1 4.44Å; R134-L136 PolarHBondContact O-N 3.02Å
137	L	87.6	Confident	82.9	Confident	13 Å²	13	69.5 Å²	69.5	7%	0.068	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-103.8	166.8	-177.2	-58.3	177.8	0	0	0	113.1	W98 R123 F124 R126 V135 H230	W98-L137 HydrophobicContact CE3-CD1 4.03Å; W98-L137 HydrophobicContact CZ3-CD1 3.66Å; R123-L137 WeakPolarHBondContact CB-O 3.45Å; R123-L137 PolarHBondContact NE-O 3.13Å; F124-L137 WeakPolarHBondContact O-CB 3.35Å; F124-L137 PolarHBondContact O-N 2.94Å; R126-L137 HydrophobicContact CB-CD1 3.93Å; R126-L137 HydrophobicContact CB-CG 4.26Å; V135-L137 HydrophobicContact CG1-CD2 4.33Å; L137-H230 HydrophobicContact CD1-CB 3.79Å
138	E	84.9	Confident	83	Confident	78 Å²	78	68.6 Å²	68.6	36%	0.364	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-69.5	158.7	168.2	-81.7	-52.7	104.9	0	0	113.2	R123 R140 K142 H230	R123-E138 IonicContact CZ-OE1 3.6Å; R123-E138 IonicContact NE-OE1 2.72Å; R123-E138 IonicContact NH2-OE1 2.65Å; R123-E138 PolarHBondContact NH2-OE1 3.14Å; E138-R140 PolarHBondContact O-N 2.81Å; E138-K142 IonicContact OE2-NZ 3.65Å; E138-H230 PolarHBondContact O-CE1 2.93Å
139	S	85.9	Confident	83.4	Confident	9 Å²	9	71.3 Å²	71.3	6%	0.063	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-62.6	126.8	176.2	61.8	0	0	0	0	110.2	R121 R141 K142 S143	R121-S139 WeakPolarHBondContact O-CB 3.43Å; S139-R141 PolarHBondContact O-N 3.19Å; S139-K142 PolarHBondContact O-N 3.33Å; S139-K142 WeakPolarHBondContact OG-CD 3.41Å; S139-K142 VanDerWaalsContact OG-CG 3.29Å; S139-K142 WeakPolarHBondContact OG-CG 3.44Å; S139-S143 PolarHBondContact O-N 2.88Å; S139-S143 PolarHBondContact O-OG 3.12Å
140	R	82.8	Confident	83.8	Confident	2 Å²	2	69.5 Å²	69.5	1%	0.008	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50	-29	179.4	-77.7	-178.8	-69.9	165.7	10.1	114.3	Y113 K117 H118 H119 L120 E138 K142 S143 Y227	Y113-R140 HydrophobicContact CE1-CG 4.39Å; Y113-R140 VanDerWaalsContact CE2-CD 3.47Å; Y113-R140 HydrophobicContact CE2-CG 4.03Å; Y113-R140 WeakPolarHBondContact O-CD 3.35Å; Y113-R140 PolarHBondContact O-NH1 3.49Å; K117-R140 VanDerWaalsContact O-CZ 3.23Å; K117-R140 PolarHBondContact O-NH1 3.47Å; K117-R140 PolarHBondContact O-NH2 3.46Å; H118-R140 PolarHBondContact O-NH2 3.28Å; H118-R140 VanDerWaalsContact O-NH2 3.11Å; H119-R140 PolarHBondContact O-NH2 3.42Å; L120-R140 HydrophobicContact CB-CB 4.37Å; L120-R140 HydrophobicContact CD2-CB 4.08Å; L120-R140 PolarHBondContact O-N 2.99Å; E138-R140 PolarHBondContact O-N 2.81Å; R140-K142 VanDerWaalsContact C-N 3.32Å; R140-K142 PolarHBondContact O-N 3.3Å; R140-S143 PolarHBondContact O-N 2.85Å; R140-Y227 HydrophobicContact CB-CD2 4.47Å; R140-Y227 HydrophobicContact CB-CE1 4.15Å; R140-Y227 HydrophobicContact CB-CE2 3.84Å; R140-Y227 HydrophobicContact CG-CD2 3.87Å; R140-Y227 HydrophobicContact CG-CE1 4.49Å; R140-Y227 HydrophobicContact CG-CE2 3.63Å; R140-Y227 HydrophobicContact CG-CG 4.42Å; R140-Y227 WeakPolarHBondContact O-CE1 3.14Å; R140-Y227 PolarHBondContact O-OH 3.06Å
141	R	76.9	Confident	84.7	Confident	174 Å²	174	65.6 Å²	65.6	66%	0.657	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-23.8	174.9	-178.8	171.3	175.4	146.3	2.1	114.7	L120 S139	L120-R141 HydrophobicContact CB-CB 4.08Å; L120-R141 WeakPolarHBondContact O-CB 3.37Å; L120-R141 PolarHBondContact O-N 2.99Å; S139-R141 PolarHBondContact O-N 3.19Å
142	K	76.6	Confident	85.9	Confident	161 Å²	161	63.7 Å²	63.7	70%	0.7	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	-18.9	177.2	-66.1	179.4	-169.9	173.8	0	112.9	E138 S139 R140	E138-K142 IonicContact OE2-NZ 3.65Å; S139-K142 PolarHBondContact O-N 3.33Å; S139-K142 WeakPolarHBondContact OG-CD 3.41Å; S139-K142 VanDerWaalsContact OG-CG 3.29Å; S139-K142 WeakPolarHBondContact OG-CG 3.44Å; R140-K142 VanDerWaalsContact C-N 3.32Å; R140-K142 PolarHBondContact O-N 3.3Å
143	S	78.7	Confident	86.9	Confident	24 Å²	24	64.8 Å²	64.8	17%	0.168	30%	0.303	C	S	.	.	S	Bend	trans	-88.7	148.7	-168	-55.8	0	0	0	0	113.4	S139 R140 K145 H230	S139-S143 PolarHBondContact O-N 2.88Å; S139-S143 PolarHBondContact O-OG 3.12Å; R140-S143 PolarHBondContact O-N 2.85Å; S143-K145 PolarHBondContact O-N 3.33Å; S143-H230 VanDerWaalsContact CB-NE2 3.27Å; S143-H230 WeakPolarHBondContact CB-NE2 3.36Å; S143-H230 PolarHBondContact OG-CE1 3.42Å; S143-H230 PolarHBondContact OG-NE2 2.91Å
144	K	81.6	Confident	87.5	Confident	141 Å²	141	60.5 Å²	60.5	61%	0.613	29%	0.294	S	S	*	.			trans	-69.3	128	180	-67.3	176.9	-178.8	174.5	0	110.8
145	K	89.3	Confident	88.1	Confident	61 Å²	61	52.4 Å²	52.4	27%	0.265	26%	0.264	S	S	.	.			trans	-115.3	133.1	176.9	-150.6	-174.6	-168.9	-166.7	0	110.1	H114 D116 S143 S225 F226 Y227	H114-K145 VanDerWaalsContact O-CE 3.27Å; H114-K145 WeakPolarHBondContact O-CE 3.38Å; H114-K145 PolarHBondContact O-NZ 3.43Å; D116-K145 WeakPolarHBondContact OD1-CE 3.21Å; D116-K145 IonicContact OD1-NZ 3.39Å; D116-K145 PolarHBondContact OD1-NZ 2.9Å; D116-K145 IonicContact OD2-NZ 3.32Å; D116-K145 PolarHBondContact OD2-NZ 3.07Å; S143-K145 PolarHBondContact O-N 3.33Å; K145-S225 WeakPolarHBondContact CE-O 3.31Å; K145-S225 VanDerWaalsContact CE-OG 3.28Å; K145-S225 WeakPolarHBondContact CE-OG 3.29Å; K145-S225 PolarHBondContact NZ-OG 2.83Å; K145-S225 VanDerWaalsContact NZ-OG 3.11Å; K145-F226 WeakPolarHBondContact CA-O 3.26Å; K145-F226 VanDerWaalsContact CG-O 3.26Å; K145-F226 WeakPolarHBondContact CG-O 3.33Å; K145-Y227 HydrophobicContact CB-CD1 3.94Å; K145-Y227 HydrophobicContact CB-CE1 3.77Å; K145-Y227 HydrophobicContact CD-CD1 4.48Å; K145-Y227 HydrophobicContact CD-CE1 3.95Å; K145-Y227 HydrophobicContact CD-CE2 4.07Å; K145-Y227 HydrophobicContact CG-CD1 3.89Å; K145-Y227 HydrophobicContact CG-CD2 4.47Å; K145-Y227 HydrophobicContact CG-CE1 3.79Å; K145-Y227 HydrophobicContact CG-CE2 4.36Å; K145-Y227 HydrophobicContact CG-CG 4.24Å
146	I	85.3	Confident	88.6	Confident	38 Å²	38	52.3 Å²	52.3	20%	0.195	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	162.8	-179	64.6	172.4	0	0	0	111.1	E33 S225 F226 R228	E33-I146 HydrophobicContact CG-CD1 3.85Å; I146-S225 CarbonylContact O-C 3.45Å; I146-S225 WeakPolarHBondContact O-CA 3.36Å; I146-S225 VanDerWaalsContact O-CB 3.32Å; I146-S225 WeakPolarHBondContact O-CB 3.48Å; I146-F226 HydrophobicContact CD1-CE1 4.05Å; I146-F226 HydrophobicContact CD1-CE2 4.07Å; I146-F226 HydrophobicContact CD1-CZ 3.53Å; I146-F226 HydrophobicContact CG1-CD1 4.23Å; I146-F226 HydrophobicContact CG1-CE1 3.71Å; I146-F226 HydrophobicContact CG1-CE2 4.02Å; I146-F226 HydrophobicContact CG1-CZ 3.6Å; I146-F226 PolarHBondContact N-O 2.87Å; I146-F226 PolarHBondContact O-N 2.96Å; I146-R228 HydrophobicContact CD1-CB 3.86Å; I146-R228 HydrophobicContact CD1-CG 3.96Å; I146-R228 HydrophobicContact CG1-CB 4.07Å
147	T	91.9	Very high	88.9	Confident	47 Å²	47	49.1 Å²	49.1	29%	0.288	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	127.9	-178.5	-44.1	0	0	0	0	111.1	K222 G224	T147-K222 HydrophobicContact CG2-CB 3.81Å; T147-K222 HydrophobicContact CG2-CD 4.06Å; T147-K222 HydrophobicContact CG2-CG 3.82Å; T147-G224 WeakPolarHBondContact CA-O 3.05Å; T147-G224 VanDerWaalsContact CG2-O 3.23Å; T147-G224 WeakPolarHBondContact CG2-O 3.21Å
148	A	93.6	Very high	89.4	Confident	2 Å²	2	49.3 Å²	49.3	2%	0.017	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	145.3	170.9	0	0	0	0	0	110.9	G34 V36 L71 F152 K222 G223 G224 F226	G34-A148 CarbonylContact O-C 3.59Å; G34-A148 VanDerWaalsContact O-CA 3.29Å; G34-A148 WeakPolarHBondContact O-CA 3.38Å; V36-A148 HydrophobicContact CG2-CB 4.1Å; L71-A148 HydrophobicContact CD2-CB 4.07Å; A148-F152 HydrophobicContact CB-CE2 4.3Å; A148-F152 HydrophobicContact CB-CZ 4.29Å; A148-K222 CarbonylContact O-C 3.59Å; A148-K222 WeakPolarHBondContact O-CA 3.46Å; A148-G223 PolarHBondContact O-N 2.87Å; A148-G224 PolarHBondContact N-O 3.43Å; A148-F226 HydrophobicContact CB-CD1 3.97Å; A148-F226 HydrophobicContact CB-CE1 3.97Å
149	R	94.8	Very high	89.9	Confident	78 Å²	78	47.7 Å²	47.7	29%	0.294	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	142	180	-77.5	-179.1	172.6	82.4	-5.6	112.6	G34 H35 V36 D220 A221	G34-R149 PolarHBondContact O-N 2.66Å; H35-R149 CarbonylContact C-O 3.53Å; H35-R149 VanDerWaalsContact CA-O 3.31Å; H35-R149 WeakPolarHBondContact CA-O 3.5Å; H35-R149 VanDerWaalsContact CE1-CD 3.44Å; H35-R149 WeakPolarHBondContact CE1-CD 3.39Å; V36-R149 WeakPolarHBondContact CG2-O 3.44Å; V36-R149 PolarHBondContact N-O 2.88Å; R149-D220 HydrophobicContact CB-CB 4.41Å; R149-D220 VanDerWaalsContact CD-OD2 3.27Å; R149-D220 WeakPolarHBondContact CD-OD2 3.27Å; R149-D220 WeakPolarHBondContact CG-OD2 3.42Å; R149-D220 IonicContact NE-OD2 3.25Å; R149-A221 WeakPolarHBondContact CA-O 3.38Å
150	G	95.1	Very high	90.3	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.01	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	151	-136.7	176.2	0	0	0	0	0	112.8	D53 F152 A221	D53-G150 WeakPolarHBondContact OD2-CA 3.42Å; G150-F152 PolarHBondContact O-N 3Å; G150-F152 VanDerWaalsContact O-N 3.13Å; G150-A221 PolarHBondContact N-O 2.94Å; G150-A221 VanDerWaalsContact N-O 3.1Å; G150-A221 PolarHBondContact O-N 2.83Å
151	I	96.9	Very high	90.9	Very high	4 Å²	4	52.5 Å²	52.5	2%	0.021	27%	0.265	C	S	.	.	S	Bend	trans	-77.2	92.3	175.8	-60.4	161.8	0	0	0	107.7	D53 V157 V178 I181 A193 V207 L215 C217	D53-I151 HydrophobicContact CB-CD1 3.99Å; D53-I151 HydrophobicContact CB-CG1 3.92Å; D53-I151 PolarHBondContact OD2-N 2.79Å; I151-V157 HydrophobicContact CG1-CG1 4.21Å; I151-V157 HydrophobicContact CG2-CG1 4.35Å; I151-V178 HydrophobicContact CG2-CG2 3.97Å; I151-I181 WeakPolarHBondContact O-CD1 3.38Å; I151-A193 HydrophobicContact CG2-CB 4.03Å; I151-V207 HydrophobicContact CB-CG1 4.18Å; I151-V207 HydrophobicContact CD1-CG1 4.09Å; I151-V207 HydrophobicContact CG2-CG1 4.03Å; I151-V207 HydrophobicContact CG2-CG2 4.05Å; I151-L215 HydrophobicContact CD1-CB 4.06Å; I151-L215 WeakPolarHBondContact CD1-O 3.47Å; I151-L215 HydrophobicContact CG2-CD1 4.21Å; I151-C217 HydrophobicContact CG1-CB 3.97Å
152	F	95.5	Very high	91.8	Very high	37 Å²	37	45.2 Å²	45.2	16%	0.162	24%	0.239	C	C	.	.			trans	-142.3	168.9	177.7	-67	-75.6	0	0	0	110.2	V36 A148 G150 G154 G155 V178 I181 A221 G223	V36-F152 HydrophobicContact CB-CE2 4.37Å; V36-F152 HydrophobicContact CG2-CE2 3.91Å; V36-F152 HydrophobicContact CG2-CZ 4.03Å; A148-F152 HydrophobicContact CB-CE2 4.3Å; A148-F152 HydrophobicContact CB-CZ 4.29Å; G150-F152 PolarHBondContact O-N 3Å; G150-F152 VanDerWaalsContact O-N 3.13Å; F152-G154 PolarHBondContact O-N 3.41Å; F152-G155 PolarHBondContact O-N 2.82Å; F152-V178 WeakPolarHBondContact O-CB 3.35Å; F152-I181 HydrophobicContact CD1-CG1 4.14Å; F152-A221 HydrophobicContact CB-CB 4.2Å; F152-G223 VanDerWaalsContact CD2-CA 3.47Å
153	A	92.5	Very high	92.8	Very high	61 Å²	61	39.2 Å²	39.2	50%	0.504	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-45.7	124	177.6	0	0	0	0	0	112.6	T179 A221	A153-T179 VanDerWaalsContact CB-O 3.23Å; A153-T179 WeakPolarHBondContact CB-O 3.48Å; A153-A221 WeakPolarHBondContact O-CB 3.42Å
154	G	88.6	Confident	93.5	Very high	40 Å²	40	43.6 Å²	43.6	41%	0.412	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.8	-15.2	-176.5	0	0	0	0	0	115.7	F152 V178	F152-G154 PolarHBondContact O-N 3.41Å; G154-V178 PolarHBondContact N-O 3.49Å
155	G	93.6	Very high	94	Very high	2 Å²	2	39.3 Å²	39.3	2%	0.021	21%	0.21	C	C	.	.			trans	-68.1	150.9	-178.2	0	0	0	0	0	113.1	F152 K177 V178 Q219	F152-G155 PolarHBondContact O-N 2.82Å; G155-K177 WeakPolarHBondContact O-CA 3.26Å; G155-V178 PolarHBondContact O-N 2.85Å; G155-Q219 WeakPolarHBondContact CA-O 3.46Å
156	R	97.3	Very high	94.2	Very high	58 Å²	58	43.8 Å²	43.8	22%	0.219	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	132	174.2	-57.6	-60.9	-58.6	-80.7	1.5	110.3	G176 D198 C217 V218 Q219	R156-G176 WeakPolarHBondContact CA-O 3.06Å; R156-G176 PolarHBondContact NE-O 2.87Å; R156-D198 IonicContact CZ-OD1 3.84Å; R156-D198 IonicContact CZ-OD2 2.76Å; R156-D198 IonicContact NH2-OD1 3.84Å; R156-D198 PolarHBondContact NH2-OD1 2.91Å; R156-D198 IonicContact NH2-OD2 3.65Å; R156-D198 PolarHBondContact NH2-OD2 2.81Å; R156-C217 PolarHBondContact O-SG 3.22Å; R156-V218 HydrophobicContact CB-CG2 3.86Å; R156-V218 WeakPolarHBondContact O-CG2 3.37Å; R156-V218 PolarHBondContact O-N 2.82Å; R156-Q219 HydrophobicContact CB-CB 3.89Å; R156-Q219 HydrophobicContact CG-CB 4.11Å; R156-Q219 PolarHBondContact N-O 3.25Å; R156-Q219 PolarHBondContact O-N 2.76Å
157	V	97.6	Very high	94.7	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	159.4	-174.7	-69	0	0	0	0	111.9	I151 R175 G176 V178 V195 W197 L215 K216	I151-V157 HydrophobicContact CG1-CG1 4.21Å; I151-V157 HydrophobicContact CG2-CG1 4.35Å; V157-R175 CarbonylContact O-C 3.58Å; V157-R175 VanDerWaalsContact O-CA 3.26Å; V157-R175 WeakPolarHBondContact O-CA 3.23Å; V157-G176 PolarHBondContact N-O 2.88Å; V157-G176 PolarHBondContact O-N 2.66Å; V157-V178 HydrophobicContact CG1-CG2 3.71Å; V157-V178 HydrophobicContact CG2-CG2 4.08Å; V157-V195 HydrophobicContact CG2-CG1 3.8Å; V157-V195 HydrophobicContact CG2-CG2 3.93Å; V157-W197 HydrophobicContact CG2-CH2 4.27Å; V157-W197 HydrophobicContact CG2-CZ3 4.49Å; V157-L215 HydrophobicContact CB-CB 4.43Å; V157-L215 HydrophobicContact CB-CD2 4.49Å; V157-L215 HydrophobicContact CG1-CB 4.34Å; V157-L215 HydrophobicContact CG1-CD1 4.48Å; V157-L215 HydrophobicContact CG2-CD1 4.42Å; V157-L215 HydrophobicContact CG2-CD2 4.25Å; V157-K216 CarbonylContact C-O 3.54Å; V157-K216 VanDerWaalsContact CA-O 3.23Å; V157-K216 WeakPolarHBondContact CA-O 3.49Å
158	V	97.4	Very high	94.6	Very high	17 Å²	17	47.9 Å²	47.9	10%	0.103	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	172.6	165	-57.5	0	0	0	0	107.9	G160 R174 R175 K216 V218	V158-G160 PolarHBondContact O-N 2.99Å; V158-R174 WeakPolarHBondContact CG1-O 3.23Å; V158-R175 HydrophobicContact CG1-CG 3.86Å; V158-K216 HydrophobicContact CG2-CB 3.91Å; V158-K216 HydrophobicContact CG2-CD 4.32Å; V158-K216 HydrophobicContact CG2-CG 4.05Å; V158-K216 PolarHBondContact N-O 3.07Å; V158-K216 PolarHBondContact O-N 2.91Å; V158-V218 HydrophobicContact CG1-CG1 3.73Å; V158-V218 HydrophobicContact CG1-CG2 4.22Å; V158-V218 HydrophobicContact CG2-CG1 4Å
159	R	96.1	Very high	94.5	Very high	45 Å²	45	47.8 Å²	47.8	17%	0.17	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.5	138.1	172.8	64.8	171.7	71.6	175.7	5.1	112.6	W163 E166 D167 D169 G171	R159-W163 HydrophobicContact CB-CB 3.91Å; R159-W163 HydrophobicContact CB-CD2 3.39Å; R159-W163 HydrophobicContact CB-CE3 3.55Å; R159-W163 HydrophobicContact CB-CG 3.59Å; R159-W163 HydrophobicContact CB-CZ3 4.18Å; R159-W163 HydrophobicContact CG-CD2 4.5Å; R159-W163 HydrophobicContact CG-CG 4.36Å; R159-E166 PolarHBondContact NH2-O 3.14Å; R159-D167 IonicContact CZ-OD1 2.71Å; R159-D167 IonicContact NH1-OD1 3.73Å; R159-D167 PolarHBondContact NH1-OD1 3.41Å; R159-D167 IonicContact NH2-OD1 3.91Å; R159-D167 PolarHBondContact NH2-OD1 3.2Å; R159-D169 IonicContact CZ-OD1 3.2Å; R159-D169 IonicContact CZ-OD2 3.85Å; R159-D169 IonicContact NE-OD1 2.82Å; R159-D169 IonicContact NE-OD2 2.75Å; R159-D169 PolarHBondContact NE-OD2 3.2Å; R159-D169 VanDerWaalsContact NH2-CG 3.31Å; R159-D169 IonicContact NH2-OD1 2.69Å; R159-D169 PolarHBondContact NH2-OD1 3.45Å; R159-D169 IonicContact NH2-OD2 3.21Å; R159-D169 PolarHBondContact NH2-OD2 3.17Å; R159-G171 VanDerWaalsContact NH2-C 3.33Å
160	G	95.4	Very high	94.1	Very high	18 Å²	18	45.5 Å²	45.5	19%	0.186	25%	0.25	C	C	.	.			trans	-90.4	-162	-179.2	0	0	0	0	0	113.4	V158 D214	V158-G160 PolarHBondContact O-N 2.99Å; G160-D214 WeakPolarHBondContact CA-O 3.23Å; G160-D214 PolarHBondContact N-O 3.49Å
161	V	94.6	Very high	93.5	Very high	94 Å²	94	46 Å²	46	57%	0.57	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-28.3	-175.4	67.6	0	0	0	0	112.9	V51 S213	V51-V161 HydrophobicContact CG1-CG1 4.18Å; V51-V161 HydrophobicContact CG2-CG1 4.35Å; V161-S213 PolarHBondContact N-O 2.85Å; V161-S213 VanDerWaalsContact N-O 3.15Å
162	D	96.4	Very high	92.5	Very high	20 Å²	20	51.9 Å²	51.9	11%	0.107	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	18.3	-179	-58.4	-57.5	0	0	0	113.3	R40 Q164 R206 M212 S213	R40-D162 IonicContact CZ-OD1 3.44Å; R40-D162 IonicContact CZ-OD2 2.99Å; R40-D162 IonicContact NH1-OD1 3.13Å; R40-D162 PolarHBondContact NH1-OD1 2.86Å; R40-D162 IonicContact NH1-OD2 3.29Å; R40-D162 PolarHBondContact NH1-OD2 3.27Å; R40-D162 IonicContact NH2-OD1 2.75Å; R40-D162 PolarHBondContact NH2-OD1 3.46Å; D162-Q164 PolarHBondContact O-N 3.1Å; D162-Q164 VanDerWaalsContact O-N 3.11Å; D162-R206 PolarHBondContact O-NH2 2.9Å; D162-M212 HydrophobicContact CB-CB 4.24Å; D162-M212 HydrophobicContact CB-SD 4.14Å; D162-M212 WeakPolarHBondContact OD2-CA 3.42Å; D162-S213 PolarHBondContact N-O 3.23Å; D162-S213 PolarHBondContact OD2-N 3.01Å
163	W	95.9	Very high	91.7	Very high	36 Å²	36	53.5 Å²	53.5	14%	0.136	31%	0.307	C	S	.	.			trans	-65.2	113.1	-175	-179.6	-86.2	0	0	0	112.4	R159 W165 E166 Q168 D169 W197 Y205 L215	R159-W163 HydrophobicContact CB-CB 3.91Å; R159-W163 HydrophobicContact CB-CD2 3.39Å; R159-W163 HydrophobicContact CB-CE3 3.55Å; R159-W163 HydrophobicContact CB-CG 3.59Å; R159-W163 HydrophobicContact CB-CZ3 4.18Å; R159-W163 HydrophobicContact CG-CD2 4.5Å; R159-W163 HydrophobicContact CG-CG 4.36Å; W163-W165 HydrophobicContact CD2-CB 4.16Å; W163-W165 HydrophobicContact CE3-CB 4.44Å; W163-W165 AromaticContact CE3-CD1 3.88Å; W163-W165 HydrophobicContact CH2-CB 4.17Å; W163-W165 HydrophobicContact CZ2-CB 3.82Å; W163-W165 HydrophobicContact CZ3-CB 4.45Å; W163-E166 PolarHBondContact NE1-O 3.06Å; W163-Q168 HydrophobicContact CZ2-CB 4.31Å; W163-D169 HydrophobicContact CH2-CB 3.89Å; W163-D169 HydrophobicContact CZ2-CB 3.99Å; W163-W197 HydrophobicContact CH2-CH2 4.3Å; W163-W197 AromaticContact CH2-CZ2 3.61Å; W163-W197 HydrophobicContact CH2-CZ2 3.61Å; W163-W197 HydrophobicContact CZ3-CH2 4.17Å; W163-W197 AromaticContact CZ3-CZ2 3.63Å; W163-W197 HydrophobicContact CZ3-CZ2 3.63Å; W163-Y205 HydrophobicContact CE3-CD1 4.16Å; W163-Y205 HydrophobicContact CE3-CE1 4.16Å; W163-Y205 HydrophobicContact CH2-CD1 4.11Å; W163-Y205 AromaticContact CH2-CE1 3.34Å; W163-Y205 HydrophobicContact CH2-CE1 3.34Å; W163-Y205 AromaticContact CH2-CZ 3.75Å; W163-Y205 HydrophobicContact CZ2-CE1 4.33Å; W163-Y205 AromaticContact CZ3-CD1 3.49Å; W163-Y205 HydrophobicContact CZ3-CD1 3.49Å; W163-Y205 VanDerWaalsContact CZ3-CD1 3.49Å; W163-Y205 AromaticContact CZ3-CE1 3.22Å; W163-Y205 HydrophobicContact CZ3-CE1 3.22Å; W163-Y205 HydrophobicContact CZ3-CG 4.34Å; W163-Y205 AromaticContact CZ3-CZ 3.91Å; W163-L215 HydrophobicContact CZ3-CD2 4.33Å
164	Q	94.3	Very high	91.6	Very high	116 Å²	116	57.8 Å²	57.8	54%	0.542	31%	0.31	S	S	.	.			trans	-123	25.6	-178.4	61.1	179.3	55.3	0	0	112	D162 R206	D162-Q164 PolarHBondContact O-N 3.1Å; D162-Q164 VanDerWaalsContact O-N 3.11Å; Q164-R206 VanDerWaalsContact OE1-NH1 3.13Å
165	W	93.1	Very high	91.9	Very high	51 Å²	51	62.3 Å²	62.3	19%	0.193	32%	0.315	C	S	.	.	S	Bend	trans	-114.5	32.2	-164.4	-54.7	109.9	0	0	0	113.6	W163 Q168 W184 Y205 D214	W163-W165 HydrophobicContact CD2-CB 4.16Å; W163-W165 HydrophobicContact CE3-CB 4.44Å; W163-W165 AromaticContact CE3-CD1 3.88Å; W163-W165 HydrophobicContact CH2-CB 4.17Å; W163-W165 HydrophobicContact CZ2-CB 3.82Å; W163-W165 HydrophobicContact CZ3-CB 4.45Å; W165-Q168 WeakPolarHBondContact O-CB 3.11Å; W165-Q168 WeakPolarHBondContact O-CG 3.25Å; W165-Q168 PolarHBondContact O-N 2.87Å; W165-Q168 PolarHBondContact O-NE2 2.68Å; W165-W184 AromaticContact CH2-CH2 3.71Å; W165-W184 HydrophobicContact CH2-CH2 3.71Å; W165-W184 HydrophobicContact CH2-CZ2 4.11Å; W165-W184 AromaticContact CZ2-CH2 3.58Å; W165-W184 HydrophobicContact CZ2-CH2 3.58Å; W165-W184 HydrophobicContact CZ2-CZ2 4.16Å; W165-Y205 HydrophobicContact CB-CE1 3.96Å; W165-Y205 AromaticContact CD1-CD1 3.54Å; W165-Y205 AromaticContact CD1-CE1 3.8Å; W165-Y205 HydrophobicContact CG-CD1 4.01Å; W165-Y205 AromaticContact CG-CE1 3.85Å; W165-Y205 HydrophobicContact CG-CE1 3.85Å; W165-Y205 AromaticContact NE1-CD1 3.86Å; W165-D214 VanDerWaalsContact NE1-CG 3.34Å; W165-D214 PolarHBondContact NE1-OD2 2.77Å
166	E	93.6	Very high	92.1	Very high	155 Å²	155	62.2 Å²	62.2	72%	0.724	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	-143.6	-177.8	-55.3	-57.6	158	0	0	112	R159 W163	R159-E166 PolarHBondContact NH2-O 3.14Å; W163-E166 PolarHBondContact NE1-O 3.06Å
167	D	94.3	Very high	92.1	Very high	104 Å²	104	64.8 Å²	64.8	56%	0.556	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	41.3	172.7	-73.1	-20.3	0	0	0	112.2	R159 D169 G170	R159-D167 IonicContact CZ-OD1 2.71Å; R159-D167 IonicContact NH1-OD1 3.73Å; R159-D167 PolarHBondContact NH1-OD1 3.41Å; R159-D167 IonicContact NH2-OD1 3.91Å; R159-D167 PolarHBondContact NH2-OD1 3.2Å; D167-D169 PolarHBondContact O-N 2.82Å; D167-G170 WeakPolarHBondContact O-CA 3.48Å; D167-G170 PolarHBondContact O-N 3.45Å
168	Q	90.1	Very high	92.1	Very high	66 Å²	66	64.8 Å²	64.8	31%	0.308	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-26.5	174.4	-76.4	176.6	48.2	0	0	113.5	W163 W165 G170 A201 N203 Y205	W163-Q168 HydrophobicContact CZ2-CB 4.31Å; W165-Q168 WeakPolarHBondContact O-CB 3.11Å; W165-Q168 WeakPolarHBondContact O-CG 3.25Å; W165-Q168 PolarHBondContact O-N 2.87Å; W165-Q168 PolarHBondContact O-NE2 2.68Å; Q168-G170 VanDerWaalsContact C-N 3.27Å; Q168-A201 WeakPolarHBondContact O-CB 3.18Å; Q168-N203 PolarHBondContact OE1-ND2 2.81Å; Q168-Y205 PolarHBondContact OE1-OH 3.29Å
169	D	91.2	Very high	91.8	Very high	1 Å²	1	66.6 Å²	66.6	1%	0.005	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-10.7	170.7	61.2	-4.4	0	0	0	113.6	R159 W163 D167 G171 R174 W197 N199	R159-D169 IonicContact CZ-OD1 3.2Å; R159-D169 IonicContact CZ-OD2 3.85Å; R159-D169 IonicContact NE-OD1 2.82Å; R159-D169 IonicContact NE-OD2 2.75Å; R159-D169 PolarHBondContact NE-OD2 3.2Å; R159-D169 VanDerWaalsContact NH2-CG 3.31Å; R159-D169 IonicContact NH2-OD1 2.69Å; R159-D169 PolarHBondContact NH2-OD1 3.45Å; R159-D169 IonicContact NH2-OD2 3.21Å; R159-D169 PolarHBondContact NH2-OD2 3.17Å; W163-D169 HydrophobicContact CH2-CB 3.89Å; W163-D169 HydrophobicContact CZ2-CB 3.99Å; D167-D169 PolarHBondContact O-N 2.82Å; D169-G171 PolarHBondContact OD1-N 3.44Å; D169-R174 HydrophobicContact CB-CB 4.29Å; D169-R174 WeakPolarHBondContact O-CB 3.39Å; D169-R174 WeakPolarHBondContact O-CG 3.14Å; D169-W197 HydrophobicContact CB-CD2 3.54Å; D169-W197 HydrophobicContact CB-CE3 3.48Å; D169-W197 VanDerWaalsContact CB-CE3 3.48Å; D169-W197 HydrophobicContact CB-CG 4.22Å; D169-W197 HydrophobicContact CB-CH2 3.92Å; D169-W197 HydrophobicContact CB-CZ2 3.92Å; D169-W197 HydrophobicContact CB-CZ3 3.69Å; D169-N199 PolarHBondContact O-ND2 2.86Å
170	G	85.9	Confident	91.5	Very high	29 Å²	29	69.1 Å²	69.1	30%	0.299	35%	0.352	S	S	.	.	S	Bend	trans	88.2	20.5	-172.6	0	0	0	0	0	114.5	D167 Q168 R174 N199	D167-G170 WeakPolarHBondContact O-CA 3.48Å; D167-G170 PolarHBondContact O-N 3.45Å; Q168-G170 VanDerWaalsContact C-N 3.27Å; G170-R174 VanDerWaalsContact C-CG 3.41Å; G170-R174 VanDerWaalsContact O-CG 3.23Å; G170-R174 WeakPolarHBondContact O-CG 3.49Å; G170-R174 PolarHBondContact O-NE 2.67Å; G170-N199 WeakPolarHBondContact CA-ND2 3.43Å; G170-N199 PolarHBondContact N-ND2 3.25Å
171	G	82.4	Confident	91.4	Very high	13 Å²	13	71 Å²	71	13%	0.134	36%	0.357	C	S	.	.	S	Bend	trans	111.6	160	177.4	0	0	0	0	0	113.4	R159 D169 R174	R159-G171 VanDerWaalsContact NH2-C 3.33Å; D169-G171 PolarHBondContact OD1-N 3.44Å; G171-R174 VanDerWaalsContact O-CB 3.23Å; G171-R174 WeakPolarHBondContact O-CB 3.42Å; G171-R174 WeakPolarHBondContact O-CG 3.36Å; G171-R174 PolarHBondContact O-N 3.46Å; G171-R174 VanDerWaalsContact O-N 3.09Å
172	N	77.7	Confident	91.3	Very high	127 Å²	127	69.2 Å²	69.2	68%	0.679	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	144.1	-177.4	-167.2	10.1	0	0	0	112.6	R174	N172-R174 PolarHBondContact O-N 3.5Å
173	A	78.6	Confident	91.1	Very high	71 Å²	71	72 Å²	72	59%	0.587	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	61	7.3	-172.5	0	0	0	0	0	116.6
174	R	90.3	Very high	90.8	Very high	150 Å²	150	74 Å²	74	57%	0.566	37%	0.365	S	S	*	.			trans	-62.7	151.7	161.2	-69.6	-61.1	-170.9	177	1.1	110.7	V158 D169 G170 G171 N172	V158-R174 WeakPolarHBondContact CG1-O 3.23Å; D169-R174 HydrophobicContact CB-CB 4.29Å; D169-R174 WeakPolarHBondContact O-CB 3.39Å; D169-R174 WeakPolarHBondContact O-CG 3.14Å; G170-R174 VanDerWaalsContact C-CG 3.41Å; G170-R174 VanDerWaalsContact O-CG 3.23Å; G170-R174 WeakPolarHBondContact O-CG 3.49Å; G170-R174 PolarHBondContact O-NE 2.67Å; G171-R174 VanDerWaalsContact O-CB 3.23Å; G171-R174 WeakPolarHBondContact O-CB 3.42Å; G171-R174 WeakPolarHBondContact O-CG 3.36Å; G171-R174 PolarHBondContact O-N 3.46Å; G171-R174 VanDerWaalsContact O-N 3.09Å; N172-R174 PolarHBondContact O-N 3.5Å
175	R	95.4	Very high	90.6	Very high	135 Å²	135	70.6 Å²	70.6	51%	0.509	35%	0.354	S	S	.	.			trans	-109.8	151.7	-175.9	-64.2	179.3	-176.5	-172.5	0.5	111	V157 V158 D198 V218	V157-R175 CarbonylContact O-C 3.58Å; V157-R175 VanDerWaalsContact O-CA 3.26Å; V157-R175 WeakPolarHBondContact O-CA 3.23Å; V158-R175 HydrophobicContact CG1-CG 3.86Å; R175-D198 VanDerWaalsContact O-CB 3.32Å; R175-D198 WeakPolarHBondContact O-CB 3.39Å; R175-D198 PolarHBondContact O-N 2.84Å; R175-V218 HydrophobicContact CG-CG2 4.47Å
176	G	96.3	Very high	90.1	Very high	0 Å²	0	72.6 Å²	72.6	0%	0	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	-179.3	168.3	0	0	0	0	0	111.3	R156 V157 I196 W197	R156-G176 WeakPolarHBondContact CA-O 3.06Å; R156-G176 PolarHBondContact NE-O 2.87Å; V157-G176 PolarHBondContact N-O 2.88Å; V157-G176 PolarHBondContact O-N 2.66Å; G176-I196 CarbonylContact C-O 3.49Å; G176-I196 VanDerWaalsContact CA-O 3.25Å; G176-I196 WeakPolarHBondContact CA-O 3.48Å; G176-W197 VanDerWaalsContact N-CE3 3.31Å
177	K	97.5	Very high	89.4	Confident	112 Å²	112	68.5 Å²	68.5	49%	0.487	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	126.3	175	-176.6	-174.8	176.5	-172.3	0	108.7	G155 T179 V195 I196	G155-K177 WeakPolarHBondContact O-CA 3.26Å; K177-T179 PolarHBondContact O-N 3.34Å; K177-V195 WeakPolarHBondContact O-CA 3.34Å; K177-I196 PolarHBondContact N-O 3.47Å; K177-I196 PolarHBondContact O-N 2.9Å
178	V	97.2	Very high	89.2	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	124.4	169.2	179.8	0	0	0	0	108	I151 F152 G154 G155 V157 I181 A193 Y194 V195	I151-V178 HydrophobicContact CG2-CG2 3.97Å; F152-V178 WeakPolarHBondContact O-CB 3.35Å; G154-V178 PolarHBondContact N-O 3.49Å; G155-V178 PolarHBondContact O-N 2.85Å; V157-V178 HydrophobicContact CG1-CG2 3.71Å; V157-V178 HydrophobicContact CG2-CG2 4.08Å; V178-I181 HydrophobicContact CG1-CD1 4.16Å; V178-A193 HydrophobicContact CG1-CB 4.1Å; V178-Y194 WeakPolarHBondContact CA-O 3.43Å; V178-V195 HydrophobicContact CG2-CG2 4.24Å
179	T	92.6	Very high	89.1	Confident	55 Å²	55	61 Å²	61	34%	0.337	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	-46.8	172.5	50.7	0	0	0	0	110.5	A153 K177 Y194 I196	A153-T179 VanDerWaalsContact CB-O 3.23Å; A153-T179 WeakPolarHBondContact CB-O 3.48Å; K177-T179 PolarHBondContact O-N 3.34Å; T179-Y194 PolarHBondContact N-O 3.39Å; T179-Y194 WeakPolarHBondContact OG1-CD1 3.3Å; T179-Y194 PolarHBondContact OG1-O 2.98Å; T179-I196 HydrophobicContact CG2-CD1 3.62Å; T179-I196 HydrophobicContact CG2-CG1 3.84Å
180	E	88.7	Confident	89.2	Confident	98 Å²	98	64 Å²	64	46%	0.458	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	164.4	-173.7	59	-173.3	177.9	0	0	111.6	Q182 Y194	E180-Q182 HydrophobicContact CG-CG 4.03Å; E180-Q182 PolarHBondContact OE1-NE2 3.29Å; E180-Y194 PolarHBondContact O-N 3.11Å
181	I	93.3	Very high	89.6	Confident	57 Å²	57	62.6 Å²	62.6	29%	0.292	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	133.7	170.8	-59.6	-55.1	0	0	0	107.3	I151 F152 V178 H190 A192 A193	I151-I181 WeakPolarHBondContact O-CD1 3.38Å; F152-I181 HydrophobicContact CD1-CG1 4.14Å; V178-I181 HydrophobicContact CG1-CD1 4.16Å; I181-H190 HydrophobicContact CG2-CB 4.32Å; I181-A192 CarbonylContact C-O 3.6Å; I181-A192 WeakPolarHBondContact CA-O 3.4Å; I181-A192 WeakPolarHBondContact CG2-O 3.41Å; I181-A193 HydrophobicContact CD1-CB 3.63Å
182	Q	92	Very high	90.3	Very high	58 Å²	58	62 Å²	62	27%	0.271	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	174.6	-176.9	-60.6	-176.4	-7.2	0	0	110.3	E180 H190 S191 A192 L204	E180-Q182 HydrophobicContact CG-CG 4.03Å; E180-Q182 PolarHBondContact OE1-NE2 3.29Å; Q182-H190 CarbonylContact O-C 3.47Å; Q182-S191 PolarHBondContact O-N 3.28Å; Q182-S191 VanDerWaalsContact O-N 3.16Å; Q182-A192 PolarHBondContact N-O 3.43Å; Q182-A192 PolarHBondContact O-N 3.11Å; Q182-L204 HydrophobicContact CB-CD1 4.06Å; Q182-L204 HydrophobicContact CG-CD1 4.37Å
183	D	92.9	Very high	91.3	Very high	79 Å²	79	56 Å²	56	42%	0.422	30%	0.298	S	S	.	.			trans	-90.2	123.8	174	-54.2	-18.2	0	0	0	108.8	S185 P189 H190	D183-S185 PolarHBondContact O-N 3.15Å; D183-P189 VanDerWaalsContact CG-CA 3.48Å; D183-P189 WeakPolarHBondContact OD1-CA 3.34Å; D183-P189 WeakPolarHBondContact OD1-CB 3.43Å; D183-H190 PolarHBondContact OD1-N 2.68Å
184	W	90.3	Very high	92.2	Very high	77 Å²	77	55.2 Å²	55.2	29%	0.292	28%	0.28	S	S	.	.	S	Bend	trans	-64.5	-30.6	172.1	-170.6	-97.8	0	0	0	111.5	W165 S191 A192 L204 R206 F209	W165-W184 AromaticContact CH2-CH2 3.71Å; W165-W184 HydrophobicContact CH2-CH2 3.71Å; W165-W184 HydrophobicContact CH2-CZ2 4.11Å; W165-W184 AromaticContact CZ2-CH2 3.58Å; W165-W184 HydrophobicContact CZ2-CH2 3.58Å; W165-W184 HydrophobicContact CZ2-CZ2 4.16Å; W184-S191 VanDerWaalsContact CB-OG 3.22Å; W184-S191 WeakPolarHBondContact CB-OG 3.38Å; W184-S191 PolarHBondContact N-OG 3.11Å; W184-A192 HydrophobicContact CB-CB 4.05Å; W184-A192 HydrophobicContact CE3-CB 3.85Å; W184-L204 HydrophobicContact CE3-CD2 4.17Å; W184-L204 HydrophobicContact CE3-CG 4.11Å; W184-L204 HydrophobicContact CZ3-CD2 4.47Å; W184-L204 HydrophobicContact CZ3-CG 4.12Å; W184-R206 HydrophobicContact CD2-CG 3.88Å; W184-R206 HydrophobicContact CE3-CG 3.79Å; W184-R206 HydrophobicContact CH2-CG 3.8Å; W184-R206 HydrophobicContact CZ2-CG 3.86Å; W184-R206 HydrophobicContact CZ3-CG 3.76Å; W184-F209 HydrophobicContact CB-CB 3.88Å; W184-F209 HydrophobicContact CB-CD2 3.73Å; W184-F209 HydrophobicContact CB-CE2 4.49Å; W184-F209 HydrophobicContact CB-CG 3.81Å; W184-F209 AromaticContact CD1-CD1 3.35Å; W184-F209 AromaticContact CD1-CD2 3.43Å; W184-F209 VanDerWaalsContact CD1-CD2 3.43Å; W184-F209 AromaticContact CD1-CE1 3.44Å; W184-F209 VanDerWaalsContact CD1-CE1 3.44Å; W184-F209 AromaticContact CD1-CE2 3.54Å; W184-F209 AromaticContact CD1-CG 3.34Å; W184-F209 AromaticContact CD1-CZ 3.55Å; W184-F209 HydrophobicContact CD2-CD1 4.46Å; W184-F209 HydrophobicContact CD2-CG 4.43Å; W184-F209 HydrophobicContact CG-CB 3.95Å; W184-F209 AromaticContact CG-CD1 3.92Å; W184-F209 HydrophobicContact CG-CD1 3.92Å; W184-F209 AromaticContact CG-CD2 3.81Å; W184-F209 HydrophobicContact CG-CD2 3.81Å; W184-F209 HydrophobicContact CG-CE1 4.41Å; W184-F209 HydrophobicContact CG-CE2 4.33Å; W184-F209 AromaticContact CG-CG 3.59Å; W184-F209 HydrophobicContact CG-CG 3.59Å; W184-F209 AromaticContact NE1-CD1 3.54Å; W184-F209 AromaticContact NE1-CE1 3.5Å; W184-F209 AromaticContact NE1-CZ 3.97Å
185	S	89.9	Confident	92.5	Very high	45 Å²	45	48 Å²	48	32%	0.315	25%	0.253	S	S	.	.	B	Isolated β-bridge	trans	-154.7	158.5	169.9	69.1	0	0	0	0	109.8	D183 A187 S188	D183-S185 PolarHBondContact O-N 3.15Å; S185-A187 PolarHBondContact O-N 3.04Å; S185-S188 CarbonylContact O-C 3.53Å; S185-S188 VanDerWaalsContact O-C 3.29Å; S185-S188 PolarHBondContact O-N 3.24Å; S185-S188 VanDerWaalsContact O-O 3.12Å
186	A	80.8	Confident	92.6	Very high	92 Å²	92	45.2 Å²	45.2	76%	0.76	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61	-13.1	176.7	0	0	0	0	0	114.3
187	A	80.8	Confident	92.6	Very high	70 Å²	70	45.4 Å²	45.4	58%	0.579	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-6.9	174.3	0	0	0	0	0	113.6	G77 S185	G77-A187 WeakPolarHBondContact CA-O 3.35Å; S185-A187 PolarHBondContact O-N 3.04Å
188	S	89.7	Confident	92.5	Very high	6 Å²	6	45 Å²	45	4%	0.042	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-144	82.7	-179.8	173.2	0	0	0	0	109.2	P75 S185 S191	P75-S188 WeakPolarHBondContact CA-OG 3.27Å; P75-S188 PolarHBondContact O-OG 3.07Å; S185-S188 CarbonylContact O-C 3.53Å; S185-S188 VanDerWaalsContact O-C 3.29Å; S185-S188 PolarHBondContact O-N 3.24Å; S185-S188 VanDerWaalsContact O-O 3.12Å; S188-S191 WeakPolarHBondContact O-CB 3.41Å; S188-S191 PolarHBondContact O-OG 3.18Å; S188-S191 WeakPolarHBondContact OG-CB 3.42Å; S188-S191 PolarHBondContact OG-OG 3.05Å
189	P	88.6	Confident	92.1	Very high	6 Å²	6	49.1 Å²	49.1	4%	0.039	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70	160.3	179.1	-20.4	34	0	0	0	113.9	A74 P75 I94 D183 S191	A74-P189 CarbonylContact C-O 3.55Å; A74-P189 HydrophobicContact CB-CB 4.26Å; A74-P189 HydrophobicContact CB-CG 4.48Å; A74-P189 WeakPolarHBondContact O-CD 3.09Å; P75-P189 WeakPolarHBondContact CA-O 3.44Å; P75-P189 WeakPolarHBondContact CD-O 3.27Å; P75-P189 VanDerWaalsContact CG-O 3.31Å; P75-P189 WeakPolarHBondContact CG-O 3.26Å; I94-P189 HydrophobicContact CB-CG 4.25Å; I94-P189 HydrophobicContact CD1-CG 3.81Å; I94-P189 HydrophobicContact CG2-CG 4.07Å; D183-P189 VanDerWaalsContact CG-CA 3.48Å; D183-P189 WeakPolarHBondContact OD1-CA 3.34Å; D183-P189 WeakPolarHBondContact OD1-CB 3.43Å; P189-S191 PolarHBondContact O-N 2.85Å; P189-S191 VanDerWaalsContact O-N 3.08Å
190	H	91.7	Very high	92	Very high	64 Å²	64	49.3 Å²	49.3	30%	0.296	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.6	22.9	177.3	-41.2	142.8	0	0	0	115.2	D72 T111 I181 Q182 D183	D72-H190 IonicContact OD2-CE1 3.41Å; D72-H190 IonicContact OD2-CG 2.68Å; D72-H190 IonicContact OD2-ND1 2.77Å; D72-H190 PolarHBondContact OD2-ND1 3.29Å; T111-H190 PolarHBondContact OG1-CE1 2.87Å; T111-H190 VanDerWaalsContact OG1-CE1 3.24Å; I181-H190 HydrophobicContact CG2-CB 4.32Å; Q182-H190 CarbonylContact O-C 3.47Å; D183-H190 PolarHBondContact OD1-N 2.68Å
191	S	95.8	Very high	92.2	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	28%	0.278	C	S	.	.			trans	-101.9	2.6	-165.8	62.8	0	0	0	0	114.6	Q182 W184 S188 P189 V207 F209	Q182-S191 PolarHBondContact O-N 3.28Å; Q182-S191 VanDerWaalsContact O-N 3.16Å; W184-S191 VanDerWaalsContact CB-OG 3.22Å; W184-S191 WeakPolarHBondContact CB-OG 3.38Å; W184-S191 PolarHBondContact N-OG 3.11Å; S188-S191 WeakPolarHBondContact O-CB 3.41Å; S188-S191 PolarHBondContact O-OG 3.18Å; S188-S191 WeakPolarHBondContact OG-CB 3.42Å; S188-S191 PolarHBondContact OG-OG 3.05Å; P189-S191 PolarHBondContact O-N 2.85Å; P189-S191 VanDerWaalsContact O-N 3.08Å; S191-V207 CarbonylContact C-O 3.5Å; S191-V207 CarbonylContact O-C 3.58Å; S191-V207 PolarHBondContact O-N 3.09Å; S191-F209 PolarHBondContact O-N 2.99Å
192	A	96.8	Very high	92.3	Very high	1 Å²	1	50 Å²	50	1%	0.008	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	159.4	-176.9	0	0	0	0	0	112.8	I181 Q182 W184 L204 Y205	I181-A192 CarbonylContact C-O 3.6Å; I181-A192 WeakPolarHBondContact CA-O 3.4Å; I181-A192 WeakPolarHBondContact CG2-O 3.41Å; Q182-A192 PolarHBondContact N-O 3.43Å; Q182-A192 PolarHBondContact O-N 3.11Å; W184-A192 HydrophobicContact CB-CB 4.05Å; W184-A192 HydrophobicContact CE3-CB 3.85Å; A192-L204 HydrophobicContact CB-CD1 3.59Å; A192-L204 HydrophobicContact CB-CD2 4.2Å; A192-L204 HydrophobicContact CB-CG 3.88Å; A192-Y205 CarbonylContact C-O 3.57Å; A192-Y205 WeakPolarHBondContact CA-O 3.2Å; A192-Y205 WeakPolarHBondContact CB-O 3.44Å
193	A	97.5	Very high	92.5	Very high	0 Å²	0	50 Å²	50	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	129.2	175.7	0	0	0	0	0	110.8	I151 V178 I181 Y205 V207 L215	I151-A193 HydrophobicContact CG2-CB 4.03Å; V178-A193 HydrophobicContact CG1-CB 4.1Å; I181-A193 HydrophobicContact CD1-CB 3.63Å; A193-Y205 PolarHBondContact N-O 3.31Å; A193-Y205 PolarHBondContact O-N 2.91Å; A193-V207 HydrophobicContact CB-CG2 3.65Å; A193-L215 HydrophobicContact CB-CD1 3.83Å
194	Y	97.4	Very high	92.7	Very high	54 Å²	54	47.9 Å²	47.9	21%	0.212	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	128.2	173.8	-163.6	-85.6	0	0	0	109.3	V178 T179 E180 I196 K202 L204	V178-Y194 WeakPolarHBondContact CA-O 3.43Å; T179-Y194 PolarHBondContact N-O 3.39Å; T179-Y194 WeakPolarHBondContact OG1-CD1 3.3Å; T179-Y194 PolarHBondContact OG1-O 2.98Å; E180-Y194 PolarHBondContact O-N 3.11Å; Y194-I196 HydrophobicContact CE1-CG1 4.32Å; Y194-K202 HydrophobicContact CE1-CB 4.01Å; Y194-K202 HydrophobicContact CE1-CD 4.4Å; Y194-K202 HydrophobicContact CE1-CG 4.49Å; Y194-K202 WeakPolarHBondContact OH-CD 3.21Å; Y194-K202 WeakPolarHBondContact OH-CG 3.33Å; Y194-L204 HydrophobicContact CD2-CB 4.25Å; Y194-L204 HydrophobicContact CD2-CD1 4.45Å
195	V	97.8	Very high	93.1	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	132.5	-174.7	-179.1	0	0	0	0	110.1	V157 K177 V178 W197 K202 N203 Y205 L215	V157-V195 HydrophobicContact CG2-CG1 3.8Å; V157-V195 HydrophobicContact CG2-CG2 3.93Å; K177-V195 WeakPolarHBondContact O-CA 3.34Å; V178-V195 HydrophobicContact CG2-CG2 4.24Å; V195-W197 HydrophobicContact CB-CZ2 4.34Å; V195-W197 HydrophobicContact CG1-CD2 3.84Å; V195-W197 HydrophobicContact CG1-CE3 4.26Å; V195-W197 HydrophobicContact CG1-CG 4.31Å; V195-W197 HydrophobicContact CG1-CH2 4.19Å; V195-W197 HydrophobicContact CG1-CZ2 3.8Å; V195-W197 HydrophobicContact CG1-CZ3 4.42Å; V195-K202 VanDerWaalsContact O-CA 3.23Å; V195-K202 WeakPolarHBondContact O-CA 3.44Å; V195-N203 PolarHBondContact N-O 3.03Å; V195-N203 PolarHBondContact O-N 2.95Å; V195-N203 VanDerWaalsContact O-N 3.14Å; V195-Y205 HydrophobicContact CB-CD2 3.93Å; V195-Y205 HydrophobicContact CB-CE2 3.95Å; V195-Y205 HydrophobicContact CG2-CD2 3.89Å; V195-Y205 HydrophobicContact CG2-CE2 4.41Å; V195-L215 HydrophobicContact CG2-CD1 3.51Å; V195-L215 HydrophobicContact CG2-CD2 4.12Å; V195-L215 HydrophobicContact CG2-CG 4.48Å
196	I	96.9	Very high	93.4	Very high	76 Å²	76	42.8 Å²	42.8	39%	0.39	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	119.4	162.8	-59	177.2	0	0	0	107.2	G176 K177 T179 Y194 K202	G176-I196 CarbonylContact C-O 3.49Å; G176-I196 VanDerWaalsContact CA-O 3.25Å; G176-I196 WeakPolarHBondContact CA-O 3.48Å; K177-I196 PolarHBondContact N-O 3.47Å; K177-I196 PolarHBondContact O-N 2.9Å; T179-I196 HydrophobicContact CG2-CD1 3.62Å; T179-I196 HydrophobicContact CG2-CG1 3.84Å; Y194-I196 HydrophobicContact CE1-CG1 4.32Å; I196-K202 HydrophobicContact CG1-CB 4.06Å
197	W	97	Very high	94.2	Very high	4 Å²	4	38.6 Å²	38.6	2%	0.015	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	152.8	179.7	-64.6	109	0	0	0	111.4	V157 W163 D169 G176 V195 N199 G200 A201 Y205 L215	V157-W197 HydrophobicContact CG2-CH2 4.27Å; V157-W197 HydrophobicContact CG2-CZ3 4.49Å; W163-W197 HydrophobicContact CH2-CH2 4.3Å; W163-W197 AromaticContact CH2-CZ2 3.61Å; W163-W197 HydrophobicContact CH2-CZ2 3.61Å; W163-W197 HydrophobicContact CZ3-CH2 4.17Å; W163-W197 AromaticContact CZ3-CZ2 3.63Å; W163-W197 HydrophobicContact CZ3-CZ2 3.63Å; D169-W197 HydrophobicContact CB-CD2 3.54Å; D169-W197 HydrophobicContact CB-CE3 3.48Å; D169-W197 VanDerWaalsContact CB-CE3 3.48Å; D169-W197 HydrophobicContact CB-CG 4.22Å; D169-W197 HydrophobicContact CB-CH2 3.92Å; D169-W197 HydrophobicContact CB-CZ2 3.92Å; D169-W197 HydrophobicContact CB-CZ3 3.69Å; G176-W197 VanDerWaalsContact N-CE3 3.31Å; V195-W197 HydrophobicContact CB-CZ2 4.34Å; V195-W197 HydrophobicContact CG1-CD2 3.84Å; V195-W197 HydrophobicContact CG1-CE3 4.26Å; V195-W197 HydrophobicContact CG1-CG 4.31Å; V195-W197 HydrophobicContact CG1-CH2 4.19Å; V195-W197 HydrophobicContact CG1-CZ2 3.8Å; V195-W197 HydrophobicContact CG1-CZ3 4.42Å; W197-N199 WeakPolarHBondContact CB-OD1 3.49Å; W197-N199 PolarHBondContact O-N 3.27Å; W197-N199 VanDerWaalsContact O-N 3.07Å; W197-G200 PolarHBondContact O-N 3.34Å; W197-A201 HydrophobicContact CB-CB 4.4Å; W197-A201 PolarHBondContact N-O 2.94Å; W197-Y205 HydrophobicContact CZ2-CE2 4.03Å; W197-Y205 AromaticContact NE1-CE2 3.45Å; W197-Y205 AromaticContact NE1-CZ 3.4Å; W197-Y205 PolarHBondContact NE1-OH 3.31Å; W197-L215 HydrophobicContact CH2-CD2 3.92Å; W197-L215 HydrophobicContact CZ2-CD2 3.93Å
198	D	94.1	Very high	94.7	Very high	104 Å²	104	35.2 Å²	35.2	56%	0.556	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-14.9	-177.7	-70.4	17.3	0	0	0	112.9	R156 R175	R156-D198 IonicContact CZ-OD1 3.84Å; R156-D198 IonicContact CZ-OD2 2.76Å; R156-D198 IonicContact NH2-OD1 3.84Å; R156-D198 PolarHBondContact NH2-OD1 2.91Å; R156-D198 IonicContact NH2-OD2 3.65Å; R156-D198 PolarHBondContact NH2-OD2 2.81Å; R175-D198 VanDerWaalsContact O-CB 3.32Å; R175-D198 WeakPolarHBondContact O-CB 3.39Å; R175-D198 PolarHBondContact O-N 2.84Å
199	N	90.5	Very high	95	Very high	85 Å²	85	36.5 Å²	36.5	46%	0.455	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-2.3	172.5	68.9	-7.6	0	0	0	113.9	D169 G170 W197 A201	D169-N199 PolarHBondContact O-ND2 2.86Å; G170-N199 WeakPolarHBondContact CA-ND2 3.43Å; G170-N199 PolarHBondContact N-ND2 3.25Å; W197-N199 WeakPolarHBondContact CB-OD1 3.49Å; W197-N199 PolarHBondContact O-N 3.27Å; W197-N199 VanDerWaalsContact O-N 3.07Å; N199-A201 VanDerWaalsContact OD1-CB 3.25Å; N199-A201 WeakPolarHBondContact OD1-CB 3.49Å; N199-A201 PolarHBondContact OD1-N 3.43Å
200	G	90.2	Very high	95.1	Very high	59 Å²	59	41.9 Å²	41.9	61%	0.608	22%	0.223	S	C	*	.	S	Bend	trans	89.1	-6.2	-176.3	0	0	0	0	0	115.6	W197	W197-G200 PolarHBondContact O-N 3.34Å
201	A	91.9	Very high	95.1	Very high	34 Å²	34	38.9 Å²	38.9	28%	0.281	21%	0.209	S	C	.	.			trans	-69.8	155.2	171.7	0	0	0	0	0	111	Q168 W197 N199	Q168-A201 WeakPolarHBondContact O-CB 3.18Å; W197-A201 HydrophobicContact CB-CB 4.4Å; W197-A201 PolarHBondContact N-O 2.94Å; N199-A201 VanDerWaalsContact OD1-CB 3.25Å; N199-A201 WeakPolarHBondContact OD1-CB 3.49Å; N199-A201 PolarHBondContact OD1-N 3.43Å
202	K	94.9	Very high	95.2	Very high	135 Å²	135	41.3 Å²	41.3	59%	0.587	22%	0.221	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-151.6	138.1	-179	61.9	-175.6	-174.1	174.6	0	111.9	Y194 V195 I196	Y194-K202 HydrophobicContact CE1-CB 4.01Å; Y194-K202 HydrophobicContact CE1-CD 4.4Å; Y194-K202 HydrophobicContact CE1-CG 4.49Å; Y194-K202 WeakPolarHBondContact OH-CD 3.21Å; Y194-K202 WeakPolarHBondContact OH-CG 3.33Å; V195-K202 VanDerWaalsContact O-CA 3.23Å; V195-K202 WeakPolarHBondContact O-CA 3.44Å; I196-K202 HydrophobicContact CG1-CB 4.06Å
203	N	97	Very high	95.2	Very high	59 Å²	59	41.5 Å²	41.5	32%	0.316	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	175	174.2	-152.3	-2.5	0	0	0	111.8	Q168 V195 Y205	Q168-N203 PolarHBondContact OE1-ND2 2.81Å; V195-N203 PolarHBondContact N-O 3.03Å; V195-N203 PolarHBondContact O-N 2.95Å; V195-N203 VanDerWaalsContact O-N 3.14Å; N203-Y205 HydrophobicContact CB-CE2 3.71Å; N203-Y205 WeakPolarHBondContact CB-OH 3.42Å; N203-Y205 WeakPolarHBondContact O-CD2 3.25Å; N203-Y205 VanDerWaalsContact O-CE2 3.28Å; N203-Y205 WeakPolarHBondContact O-CE2 3.38Å
204	L	97.3	Very high	95.2	Very high	35 Å²	35	41.5 Å²	41.5	18%	0.183	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	138	171.8	-172.9	62.5	0	0	0	110.7	Q182 W184 A192 Y194	Q182-L204 HydrophobicContact CB-CD1 4.06Å; Q182-L204 HydrophobicContact CG-CD1 4.37Å; W184-L204 HydrophobicContact CE3-CD2 4.17Å; W184-L204 HydrophobicContact CE3-CG 4.11Å; W184-L204 HydrophobicContact CZ3-CD2 4.47Å; W184-L204 HydrophobicContact CZ3-CG 4.12Å; A192-L204 HydrophobicContact CB-CD1 3.59Å; A192-L204 HydrophobicContact CB-CD2 4.2Å; A192-L204 HydrophobicContact CB-CG 3.88Å; Y194-L204 HydrophobicContact CD2-CB 4.25Å; Y194-L204 HydrophobicContact CD2-CD1 4.45Å
205	Y	97.8	Very high	95.2	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	148.9	-176.3	-60.8	-83.8	0	0	0	111.7	W163 W165 Q168 A192 A193 V195 W197 N203 L215	W163-Y205 HydrophobicContact CE3-CD1 4.16Å; W163-Y205 HydrophobicContact CE3-CE1 4.16Å; W163-Y205 HydrophobicContact CH2-CD1 4.11Å; W163-Y205 AromaticContact CH2-CE1 3.34Å; W163-Y205 HydrophobicContact CH2-CE1 3.34Å; W163-Y205 AromaticContact CH2-CZ 3.75Å; W163-Y205 HydrophobicContact CZ2-CE1 4.33Å; W163-Y205 AromaticContact CZ3-CD1 3.49Å; W163-Y205 HydrophobicContact CZ3-CD1 3.49Å; W163-Y205 VanDerWaalsContact CZ3-CD1 3.49Å; W163-Y205 AromaticContact CZ3-CE1 3.22Å; W163-Y205 HydrophobicContact CZ3-CE1 3.22Å; W163-Y205 HydrophobicContact CZ3-CG 4.34Å; W163-Y205 AromaticContact CZ3-CZ 3.91Å; W165-Y205 HydrophobicContact CB-CE1 3.96Å; W165-Y205 AromaticContact CD1-CD1 3.54Å; W165-Y205 AromaticContact CD1-CE1 3.8Å; W165-Y205 HydrophobicContact CG-CD1 4.01Å; W165-Y205 AromaticContact CG-CE1 3.85Å; W165-Y205 HydrophobicContact CG-CE1 3.85Å; W165-Y205 AromaticContact NE1-CD1 3.86Å; Q168-Y205 PolarHBondContact OE1-OH 3.29Å; A192-Y205 CarbonylContact C-O 3.57Å; A192-Y205 WeakPolarHBondContact CA-O 3.2Å; A192-Y205 WeakPolarHBondContact CB-O 3.44Å; A193-Y205 PolarHBondContact N-O 3.31Å; A193-Y205 PolarHBondContact O-N 2.91Å; V195-Y205 HydrophobicContact CB-CD2 3.93Å; V195-Y205 HydrophobicContact CB-CE2 3.95Å; V195-Y205 HydrophobicContact CG2-CD2 3.89Å; V195-Y205 HydrophobicContact CG2-CE2 4.41Å; W197-Y205 HydrophobicContact CZ2-CE2 4.03Å; W197-Y205 AromaticContact NE1-CE2 3.45Å; W197-Y205 AromaticContact NE1-CZ 3.4Å; W197-Y205 PolarHBondContact NE1-OH 3.31Å; N203-Y205 HydrophobicContact CB-CE2 3.71Å; N203-Y205 WeakPolarHBondContact CB-OH 3.42Å; N203-Y205 WeakPolarHBondContact O-CD2 3.25Å; N203-Y205 VanDerWaalsContact O-CE2 3.28Å; N203-Y205 WeakPolarHBondContact O-CE2 3.38Å; Y205-L215 HydrophobicContact CD2-CD2 4.29Å; Y205-L215 HydrophobicContact CG-CD2 4.06Å; Y205-L215 HydrophobicContact CG-CG 4.45Å
206	R	97.8	Very high	95.2	Very high	14 Å²	14	43 Å²	43	5%	0.053	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	129.9	-176.8	-55.5	170.3	-64.6	-171.6	3.1	111.7	D162 Q164 W184 F209 M212 D214	D162-R206 PolarHBondContact O-NH2 2.9Å; Q164-R206 VanDerWaalsContact OE1-NH1 3.13Å; W184-R206 HydrophobicContact CD2-CG 3.88Å; W184-R206 HydrophobicContact CE3-CG 3.79Å; W184-R206 HydrophobicContact CH2-CG 3.8Å; W184-R206 HydrophobicContact CZ2-CG 3.86Å; W184-R206 HydrophobicContact CZ3-CG 3.76Å; R206-F209 HydrophobicContact CB-CB 4.24Å; R206-F209 HydrophobicContact CG-CB 4.23Å; R206-F209 HydrophobicContact CG-CD1 4.32Å; R206-M212 HydrophobicContact CB-CB 3.93Å; R206-D214 HydrophobicContact CB-CB 4.49Å; R206-D214 VanDerWaalsContact CB-OD2 3.23Å; R206-D214 WeakPolarHBondContact CB-OD2 3.23Å; R206-D214 VanDerWaalsContact CG-OD2 3.31Å; R206-D214 WeakPolarHBondContact CG-OD2 3.44Å; R206-D214 IonicContact CZ-OD1 2.68Å; R206-D214 VanDerWaalsContact CZ-OD1 3.25Å; R206-D214 IonicContact CZ-OD2 2.75Å; R206-D214 PolarHBondContact N-OD2 2.76Å; R206-D214 VanDerWaalsContact NE-CG 3.34Å; R206-D214 IonicContact NE-OD1 3.55Å; R206-D214 PolarHBondContact NE-OD1 3.11Å; R206-D214 IonicContact NE-OD2 3.4Å; R206-D214 PolarHBondContact NE-OD2 3.2Å; R206-D214 IonicContact NH2-OD1 3.35Å; R206-D214 PolarHBondContact NH2-OD1 2.72Å; R206-D214 IonicContact NH2-OD2 3.69Å; R206-D214 WeakPolarHBondContact O-CB 3.4Å; R206-D214 PolarHBondContact O-N 2.92Å
207	V	96.8	Very high	95	Very high	4 Å²	4	40 Å²	40	2%	0.024	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-140.3	69.2	177.2	-171.5	0	0	0	0	108.2	I151 S191 A193 L215	I151-V207 HydrophobicContact CB-CG1 4.18Å; I151-V207 HydrophobicContact CD1-CG1 4.09Å; I151-V207 HydrophobicContact CG2-CG1 4.03Å; I151-V207 HydrophobicContact CG2-CG2 4.05Å; S191-V207 CarbonylContact C-O 3.5Å; S191-V207 CarbonylContact O-C 3.58Å; S191-V207 PolarHBondContact O-N 3.09Å; A193-V207 HydrophobicContact CB-CG2 3.65Å; V207-L215 HydrophobicContact CG2-CB 4.45Å; V207-L215 HydrophobicContact CG2-CD1 3.89Å; V207-L215 HydrophobicContact CG2-CG 4.34Å
208	G	91.3	Very high	94.9	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.235	C	C	.	.	S	Bend	trans	120.3	-30.7	-174.7	0	0	0	0	0	114.1	G15 E210 G211 M212	G15-G208 WeakPolarHBondContact CA-O 3.23Å; G208-E210 PolarHBondContact O-N 2.77Å; G208-G211 PolarHBondContact O-N 2.68Å; G208-M212 PolarHBondContact N-O 3.13Å
209	F	95.1	Very high	94.9	Very high	33 Å²	33	44.2 Å²	44.2	15%	0.145	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-56.7	124.1	176.7	-175.4	-99.2	0	0	0	111	W184 S191 R206 G211 M212	W184-F209 HydrophobicContact CB-CB 3.88Å; W184-F209 HydrophobicContact CB-CD2 3.73Å; W184-F209 HydrophobicContact CB-CE2 4.49Å; W184-F209 HydrophobicContact CB-CG 3.81Å; W184-F209 AromaticContact CD1-CD1 3.35Å; W184-F209 AromaticContact CD1-CD2 3.43Å; W184-F209 VanDerWaalsContact CD1-CD2 3.43Å; W184-F209 AromaticContact CD1-CE1 3.44Å; W184-F209 VanDerWaalsContact CD1-CE1 3.44Å; W184-F209 AromaticContact CD1-CE2 3.54Å; W184-F209 AromaticContact CD1-CG 3.34Å; W184-F209 AromaticContact CD1-CZ 3.55Å; W184-F209 HydrophobicContact CD2-CD1 4.46Å; W184-F209 HydrophobicContact CD2-CG 4.43Å; W184-F209 HydrophobicContact CG-CB 3.95Å; W184-F209 AromaticContact CG-CD1 3.92Å; W184-F209 HydrophobicContact CG-CD1 3.92Å; W184-F209 AromaticContact CG-CD2 3.81Å; W184-F209 HydrophobicContact CG-CD2 3.81Å; W184-F209 HydrophobicContact CG-CE1 4.41Å; W184-F209 HydrophobicContact CG-CE2 4.33Å; W184-F209 AromaticContact CG-CG 3.59Å; W184-F209 HydrophobicContact CG-CG 3.59Å; W184-F209 AromaticContact NE1-CD1 3.54Å; W184-F209 AromaticContact NE1-CE1 3.5Å; W184-F209 AromaticContact NE1-CZ 3.97Å; S191-F209 PolarHBondContact O-N 2.99Å; R206-F209 HydrophobicContact CB-CB 4.24Å; R206-F209 HydrophobicContact CG-CB 4.23Å; R206-F209 HydrophobicContact CG-CD1 4.32Å; F209-G211 PolarHBondContact O-N 3.19Å; F209-G211 VanDerWaalsContact O-N 3.09Å; F209-M212 VanDerWaalsContact O-CB 3.24Å; F209-M212 WeakPolarHBondContact O-CB 3.42Å; F209-M212 VanDerWaalsContact O-CG 3.29Å; F209-M212 WeakPolarHBondContact O-CG 3.41Å; F209-M212 PolarHBondContact O-N 3.33Å
210	E	91.8	Very high	94.9	Very high	119 Å²	119	43.4 Å²	43.4	56%	0.556	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	53.4	23.7	-176	-66.7	176.1	156.7	0	0	115	G208 M212	G208-E210 PolarHBondContact O-N 2.77Å; E210-M212 HydrophobicContact CB-CE 4.3Å; E210-M212 HydrophobicContact CB-CG 4.21Å; E210-M212 PolarHBondContact O-N 2.69Å
211	G	92.4	Very high	95	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.01	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	78.9	3.4	-175.3	0	0	0	0	0	114.6	T38 V39 G208 F209	T38-G211 WeakPolarHBondContact CG2-O 3.45Å; V39-G211 WeakPolarHBondContact O-CA 3.38Å; G208-G211 PolarHBondContact O-N 2.68Å; F209-G211 PolarHBondContact O-N 3.19Å; F209-G211 VanDerWaalsContact O-N 3.09Å
212	M	96.7	Very high	95	Very high	51 Å²	51	46.7 Å²	46.7	25%	0.251	23%	0.226	S	C	.	.			trans	-79.1	142.4	-174.7	-54.1	-67.3	166	0	0	112	D162 R206 G208 F209 E210	D162-M212 HydrophobicContact CB-CB 4.24Å; D162-M212 HydrophobicContact CB-SD 4.14Å; D162-M212 WeakPolarHBondContact OD2-CA 3.42Å; R206-M212 HydrophobicContact CB-CB 3.93Å; G208-M212 PolarHBondContact N-O 3.13Å; F209-M212 VanDerWaalsContact O-CB 3.24Å; F209-M212 WeakPolarHBondContact O-CB 3.42Å; F209-M212 VanDerWaalsContact O-CG 3.29Å; F209-M212 WeakPolarHBondContact O-CG 3.41Å; F209-M212 PolarHBondContact O-N 3.33Å; E210-M212 HydrophobicContact CB-CE 4.3Å; E210-M212 HydrophobicContact CB-CG 4.21Å; E210-M212 PolarHBondContact O-N 2.69Å
213	S	96.5	Very high	94.4	Very high	5 Å²	5	41.6 Å²	41.6	4%	0.035	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-128.6	78.4	178.3	-60	0	0	0	0	109.5	V161 D162 L215	V161-S213 PolarHBondContact N-O 2.85Å; V161-S213 VanDerWaalsContact N-O 3.15Å; D162-S213 PolarHBondContact N-O 3.23Å; D162-S213 PolarHBondContact OD2-N 3.01Å; S213-L215 PolarHBondContact O-N 3.3Å
214	D	97.8	Very high	93.8	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.219	C	C	.	.			trans	-69.6	-15.8	179.6	-66.8	-10.5	0	0	0	112.5	G160 W165 R206	G160-D214 WeakPolarHBondContact CA-O 3.23Å; G160-D214 PolarHBondContact N-O 3.49Å; W165-D214 VanDerWaalsContact NE1-CG 3.34Å; W165-D214 PolarHBondContact NE1-OD2 2.77Å; R206-D214 HydrophobicContact CB-CB 4.49Å; R206-D214 VanDerWaalsContact CB-OD2 3.23Å; R206-D214 WeakPolarHBondContact CB-OD2 3.23Å; R206-D214 VanDerWaalsContact CG-OD2 3.31Å; R206-D214 WeakPolarHBondContact CG-OD2 3.44Å; R206-D214 IonicContact CZ-OD1 2.68Å; R206-D214 VanDerWaalsContact CZ-OD1 3.25Å; R206-D214 IonicContact CZ-OD2 2.75Å; R206-D214 PolarHBondContact N-OD2 2.76Å; R206-D214 VanDerWaalsContact NE-CG 3.34Å; R206-D214 IonicContact NE-OD1 3.55Å; R206-D214 PolarHBondContact NE-OD1 3.11Å; R206-D214 IonicContact NE-OD2 3.4Å; R206-D214 PolarHBondContact NE-OD2 3.2Å; R206-D214 IonicContact NH2-OD1 3.35Å; R206-D214 PolarHBondContact NH2-OD1 2.72Å; R206-D214 IonicContact NH2-OD2 3.69Å; R206-D214 WeakPolarHBondContact O-CB 3.4Å; R206-D214 PolarHBondContact O-N 2.92Å
215	L	97.6	Very high	93.3	Very high	6 Å²	6	41.5 Å²	41.5	3%	0.031	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	145.7	-176.7	-61.5	178.1	0	0	0	111.2	I151 V157 W163 A193 V195 W197 Y205 V207 S213	I151-L215 HydrophobicContact CD1-CB 4.06Å; I151-L215 WeakPolarHBondContact CD1-O 3.47Å; I151-L215 HydrophobicContact CG2-CD1 4.21Å; V157-L215 HydrophobicContact CB-CB 4.43Å; V157-L215 HydrophobicContact CB-CD2 4.49Å; V157-L215 HydrophobicContact CG1-CB 4.34Å; V157-L215 HydrophobicContact CG1-CD1 4.48Å; V157-L215 HydrophobicContact CG2-CD1 4.42Å; V157-L215 HydrophobicContact CG2-CD2 4.25Å; W163-L215 HydrophobicContact CZ3-CD2 4.33Å; A193-L215 HydrophobicContact CB-CD1 3.83Å; V195-L215 HydrophobicContact CG2-CD1 3.51Å; V195-L215 HydrophobicContact CG2-CD2 4.12Å; V195-L215 HydrophobicContact CG2-CG 4.48Å; W197-L215 HydrophobicContact CH2-CD2 3.92Å; W197-L215 HydrophobicContact CZ2-CD2 3.93Å; Y205-L215 HydrophobicContact CD2-CD2 4.29Å; Y205-L215 HydrophobicContact CG-CD2 4.06Å; Y205-L215 HydrophobicContact CG-CG 4.45Å; V207-L215 HydrophobicContact CG2-CB 4.45Å; V207-L215 HydrophobicContact CG2-CD1 3.89Å; V207-L215 HydrophobicContact CG2-CG 4.34Å; S213-L215 PolarHBondContact O-N 3.3Å
216	K	97	Very high	93.1	Very high	79 Å²	79	41.7 Å²	41.7	34%	0.343	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	128.8	170.7	168.6	170.1	-176.4	142.5	0	109.3	N54 G55 V157 V158	N54-K216 WeakPolarHBondContact O-CE 3.23Å; G55-K216 PolarHBondContact O-NZ 3.48Å; V157-K216 CarbonylContact C-O 3.54Å; V157-K216 VanDerWaalsContact CA-O 3.23Å; V157-K216 WeakPolarHBondContact CA-O 3.49Å; V158-K216 HydrophobicContact CG2-CB 3.91Å; V158-K216 HydrophobicContact CG2-CD 4.32Å; V158-K216 HydrophobicContact CG2-CG 4.05Å; V158-K216 PolarHBondContact N-O 3.07Å; V158-K216 PolarHBondContact O-N 2.91Å
217	C	94.6	Very high	92.8	Very high	13 Å²	13	41.5 Å²	41.5	9%	0.088	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	134.7	179.3	-159.3	0	0	0	0	111.6	D53 I151 R156 Q219 D220	D53-C217 WeakPolarHBondContact O-CA 3.38Å; D53-C217 WeakPolarHBondContact O-CB 3.28Å; D53-C217 PolarHBondContact O-N 2.87Å; I151-C217 HydrophobicContact CG1-CB 3.97Å; R156-C217 PolarHBondContact O-SG 3.22Å; C217-Q219 PolarHBondContact SG-O 2.78Å; C217-D220 VanDerWaalsContact SG-CA 3.54Å
218	V	93.8	Very high	92.6	Very high	68 Å²	68	43.8 Å²	43.8	41%	0.412	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	-12.6	170.6	-67.1	0	0	0	0	112.8	R156 V158 R175	R156-V218 HydrophobicContact CB-CG2 3.86Å; R156-V218 WeakPolarHBondContact O-CG2 3.37Å; R156-V218 PolarHBondContact O-N 2.82Å; V158-V218 HydrophobicContact CG1-CG1 3.73Å; V158-V218 HydrophobicContact CG1-CG2 4.22Å; V158-V218 HydrophobicContact CG2-CG1 4Å; R175-V218 HydrophobicContact CG-CG2 4.47Å
219	Q	94.7	Very high	92.5	Very high	129 Å²	129	47 Å²	47	60%	0.603	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-151.4	111.5	167.7	-173.3	-178.4	9.5	0	0	108.9	G155 R156 C217	G155-Q219 WeakPolarHBondContact CA-O 3.46Å; R156-Q219 HydrophobicContact CB-CB 3.89Å; R156-Q219 HydrophobicContact CG-CB 4.11Å; R156-Q219 PolarHBondContact N-O 3.25Å; R156-Q219 PolarHBondContact O-N 2.76Å; C217-Q219 PolarHBondContact SG-O 2.78Å
220	D	90.4	Very high	92.4	Very high	68 Å²	68	45.7 Å²	45.7	36%	0.364	25%	0.246	S	C	.	.			trans	-69.2	148.9	-174.9	72	-111.9	0	0	0	113.7	H35 R149 C217	H35-D220 IonicContact CD2-OD1 3.39Å; H35-D220 IonicContact CE1-OD1 2.94Å; H35-D220 IonicContact NE2-OD1 2.72Å; H35-D220 PolarHBondContact NE2-OD1 2.86Å; H35-D220 IonicContact NE2-OD2 3Å; R149-D220 HydrophobicContact CB-CB 4.41Å; R149-D220 VanDerWaalsContact CD-OD2 3.27Å; R149-D220 WeakPolarHBondContact CD-OD2 3.27Å; R149-D220 WeakPolarHBondContact CG-OD2 3.42Å; R149-D220 IonicContact NE-OD2 3.25Å; C217-D220 VanDerWaalsContact SG-CA 3.54Å
221	A	92.5	Very high	92.6	Very high	13 Å²	13	40.2 Å²	40.2	11%	0.107	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	160.7	171.2	0	0	0	0	0	111.1	R149 G150 F152 A153 G223	R149-A221 WeakPolarHBondContact CA-O 3.38Å; G150-A221 PolarHBondContact N-O 2.94Å; G150-A221 VanDerWaalsContact N-O 3.1Å; G150-A221 PolarHBondContact O-N 2.83Å; F152-A221 HydrophobicContact CB-CB 4.2Å; A153-A221 WeakPolarHBondContact O-CB 3.42Å; A221-G223 PolarHBondContact O-N 3.46Å
222	K	90.8	Very high	92.6	Very high	148 Å²	148	40.2 Å²	40.2	64%	0.643	22%	0.221	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-82.9	113	-177	-63.6	176.8	-179.2	174.8	0	110.9	T147 A148 G224	T147-K222 HydrophobicContact CG2-CB 3.81Å; T147-K222 HydrophobicContact CG2-CD 4.06Å; T147-K222 HydrophobicContact CG2-CG 3.82Å; A148-K222 CarbonylContact O-C 3.59Å; A148-K222 WeakPolarHBondContact O-CA 3.46Å; K222-G224 PolarHBondContact O-N 3.32Å; K222-G224 VanDerWaalsContact O-N 3.14Å
223	G	83.2	Confident	92.4	Very high	28 Å²	28	38.7 Å²	38.7	29%	0.289	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	37.7	177.2	0	0	0	0	0	114.9	A148 F152 A221	A148-G223 PolarHBondContact O-N 2.87Å; F152-G223 VanDerWaalsContact CD2-CA 3.47Å; A221-G223 PolarHBondContact O-N 3.46Å
224	G	84	Confident	92	Very high	44 Å²	44	38.8 Å²	38.8	45%	0.454	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	73.8	-155.2	-170.7	0	0	0	0	0	113.3	T147 A148 K222	T147-G224 WeakPolarHBondContact CA-O 3.05Å; T147-G224 VanDerWaalsContact CG2-O 3.23Å; T147-G224 WeakPolarHBondContact CG2-O 3.21Å; A148-G224 PolarHBondContact N-O 3.43Å; K222-G224 PolarHBondContact O-N 3.32Å; K222-G224 VanDerWaalsContact O-N 3.14Å
225	S	87.3	Confident	90.9	Very high	49 Å²	49	39.9 Å²	39.9	34%	0.343	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	144.5	-175.4	61.4	0	0	0	0	112.7	K145 I146	K145-S225 WeakPolarHBondContact CE-O 3.31Å; K145-S225 VanDerWaalsContact CE-OG 3.28Å; K145-S225 WeakPolarHBondContact CE-OG 3.29Å; K145-S225 PolarHBondContact NZ-OG 2.83Å; K145-S225 VanDerWaalsContact NZ-OG 3.11Å; I146-S225 CarbonylContact O-C 3.45Å; I146-S225 WeakPolarHBondContact O-CA 3.36Å; I146-S225 VanDerWaalsContact O-CB 3.32Å; I146-S225 WeakPolarHBondContact O-CB 3.48Å
226	F	93.1	Very high	89.4	Confident	3 Å²	3	43.8 Å²	43.8	1%	0.013	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	159.1	-171.6	69.5	-83.6	0	0	0	112.6	V19 L71 H114 K145 I146 A148 R228	V19-F226 HydrophobicContact CB-CZ 4.32Å; V19-F226 HydrophobicContact CG1-CE1 4.46Å; V19-F226 HydrophobicContact CG1-CZ 3.91Å; V19-F226 HydrophobicContact CG2-CE2 3.92Å; V19-F226 HydrophobicContact CG2-CZ 3.92Å; L71-F226 HydrophobicContact CD1-CB 3.66Å; L71-F226 HydrophobicContact CD1-CD1 3.65Å; L71-F226 HydrophobicContact CD1-CD2 3.64Å; L71-F226 HydrophobicContact CD1-CE1 4.13Å; L71-F226 HydrophobicContact CD1-CE2 4.12Å; L71-F226 HydrophobicContact CD1-CG 3.37Å; L71-F226 HydrophobicContact CD1-CZ 4.33Å; H114-F226 HydrophobicContact CB-CB 4.25Å; K145-F226 WeakPolarHBondContact CA-O 3.26Å; K145-F226 VanDerWaalsContact CG-O 3.26Å; K145-F226 WeakPolarHBondContact CG-O 3.33Å; I146-F226 HydrophobicContact CD1-CE1 4.05Å; I146-F226 HydrophobicContact CD1-CE2 4.07Å; I146-F226 HydrophobicContact CD1-CZ 3.53Å; I146-F226 HydrophobicContact CG1-CD1 4.23Å; I146-F226 HydrophobicContact CG1-CE1 3.71Å; I146-F226 HydrophobicContact CG1-CE2 4.02Å; I146-F226 HydrophobicContact CG1-CZ 3.6Å; I146-F226 PolarHBondContact N-O 2.87Å; I146-F226 PolarHBondContact O-N 2.96Å; A148-F226 HydrophobicContact CB-CD1 3.97Å; A148-F226 HydrophobicContact CB-CE1 3.97Å; F226-R228 HydrophobicContact CE2-CB 4.09Å; F226-R228 HydrophobicContact CE2-CG 4.41Å; F226-R228 PolarHBondContact O-N 3.38Å
227	Y	92.3	Very high	87.3	Confident	10 Å²	10	45.4 Å²	45.4	4%	0.039	25%	0.252	C	S	.	.			trans	-89	89.8	179.9	-70.9	-72.7	0	0	0	110.1	Y113 H114 D116 R140 K145 D229 H230 C231	Y113-Y227 HydrophobicContact CE1-CD2 4.37Å; H114-Y227 AromaticContact ND1-CD2 3.77Å; H114-Y227 PolarHBondContact ND1-N 2.77Å; D116-Y227 WeakPolarHBondContact OD1-CE2 3.32Å; D116-Y227 PolarHBondContact OD1-OH 3.11Å; R140-Y227 HydrophobicContact CB-CD2 4.47Å; R140-Y227 HydrophobicContact CB-CE1 4.15Å; R140-Y227 HydrophobicContact CB-CE2 3.84Å; R140-Y227 HydrophobicContact CG-CD2 3.87Å; R140-Y227 HydrophobicContact CG-CE1 4.49Å; R140-Y227 HydrophobicContact CG-CE2 3.63Å; R140-Y227 HydrophobicContact CG-CG 4.42Å; R140-Y227 WeakPolarHBondContact O-CE1 3.14Å; R140-Y227 PolarHBondContact O-OH 3.06Å; K145-Y227 HydrophobicContact CB-CD1 3.94Å; K145-Y227 HydrophobicContact CB-CE1 3.77Å; K145-Y227 HydrophobicContact CD-CD1 4.48Å; K145-Y227 HydrophobicContact CD-CE1 3.95Å; K145-Y227 HydrophobicContact CD-CE2 4.07Å; K145-Y227 HydrophobicContact CG-CD1 3.89Å; K145-Y227 HydrophobicContact CG-CD2 4.47Å; K145-Y227 HydrophobicContact CG-CE1 3.79Å; K145-Y227 HydrophobicContact CG-CE2 4.36Å; K145-Y227 HydrophobicContact CG-CG 4.24Å; Y227-D229 VanDerWaalsContact C-N 3.29Å; Y227-D229 PolarHBondContact O-N 2.91Å; Y227-H230 WeakPolarHBondContact O-CB 3.32Å; Y227-H230 PolarHBondContact O-N 3.23Å; Y227-C231 PolarHBondContact O-N 3.08Å
228	R	91.6	Very high	84.5	Confident	53 Å²	53	49.9 Å²	49.9	20%	0.2	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.6	-47.1	-172.3	-174.9	-161.9	68.8	-177.6	1.9	113.5	E33 R69 I146 F226 H230 C231	E33-R228 WeakPolarHBondContact OE1-CD 3.46Å; E33-R228 IonicContact OE1-CZ 3.62Å; E33-R228 IonicContact OE1-NE 2.77Å; E33-R228 IonicContact OE1-NH1 3.6Å; E33-R228 PolarHBondContact OE1-NH1 2.85Å; E33-R228 IonicContact OE2-NH1 3.84Å; R69-R228 WeakPolarHBondContact CD-O 3.1Å; R69-R228 PolarHBondContact NE-O 3.26Å; I146-R228 HydrophobicContact CD1-CB 3.86Å; I146-R228 HydrophobicContact CD1-CG 3.96Å; I146-R228 HydrophobicContact CG1-CB 4.07Å; F226-R228 HydrophobicContact CE2-CB 4.09Å; F226-R228 HydrophobicContact CE2-CG 4.41Å; F226-R228 PolarHBondContact O-N 3.38Å; R228-H230 PolarHBondContact O-N 3.44Å; R228-C231 PolarHBondContact O-N 2.8Å
229	D	89.8	Confident	81.5	Confident	66 Å²	66	49.3 Å²	49.3	35%	0.353	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-1.1	-174.3	-58.3	-37.6	0	0	0	112.9	R69 Y227	R69-D229 IonicContact NH2-OD1 3.74Å; Y227-D229 VanDerWaalsContact C-N 3.29Å; Y227-D229 PolarHBondContact O-N 2.91Å
230	H	93.4	Very high	78.5	Confident	7 Å²	7	51.3 Å²	51.3	3%	0.032	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-24.1	174.3	-66.5	-168.4	0	0	0	112.4	W98 Y113 R126 L137 E138 S143 Y227 R228	W98-H230 HydrophobicContact CH2-CB 4.43Å; W98-H230 HydrophobicContact CZ3-CB 4.11Å; Y113-H230 HydrophobicContact CE1-CB 4.36Å; Y113-H230 AromaticContact CE1-ND1 3.97Å; Y113-H230 AromaticContact CZ-ND1 3.8Å; Y113-H230 PolarHBondContact OH-ND1 2.88Å; R126-H230 WeakPolarHBondContact CD-O 3.17Å; R126-H230 PolarHBondContact NH1-O 2.67Å; L137-H230 HydrophobicContact CD1-CB 3.79Å; E138-H230 PolarHBondContact O-CE1 2.93Å; S143-H230 VanDerWaalsContact CB-NE2 3.27Å; S143-H230 WeakPolarHBondContact CB-NE2 3.36Å; S143-H230 PolarHBondContact OG-CE1 3.42Å; S143-H230 PolarHBondContact OG-NE2 2.91Å; Y227-H230 WeakPolarHBondContact O-CB 3.32Å; Y227-H230 PolarHBondContact O-N 3.23Å; R228-H230 PolarHBondContact O-N 3.44Å
231	C	94.4	Very high	75.7	Confident	4 Å²	4	57.6 Å²	57.6	3%	0.027	32%	0.317	C	S	.	.	S	Bend	trans	-57.4	134.5	172.2	-67.7	0	0	0	0	111	R69 I70 Y227 R228	R69-C231 HydrophobicContact CB-CB 4.08Å; R69-C231 HydrophobicContact CG-CB 4.27Å; I70-C231 VanDerWaalsContact O-CB 3.26Å; I70-C231 WeakPolarHBondContact O-CB 3.09Å; I70-C231 PolarHBondContact O-SG 2.91Å; Y227-C231 PolarHBondContact O-N 3.08Å; R228-C231 PolarHBondContact O-N 2.8Å
232	P	93.4	Very high	73	Confident	1 Å²	1	60.6 Å²	60.6	1%	0.006	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-68.6	153.3	174.1	23.2	-20.4	0	0	0	110.5	R69 I70 I96 T128	R69-P232 CarbonylContact C-O 3.6Å; R69-P232 VanDerWaalsContact CA-O 3.3Å; R69-P232 WeakPolarHBondContact CA-O 3.19Å; I70-P232 HydrophobicContact CB-CG 4.13Å; I70-P232 HydrophobicContact CD1-CG 4.38Å; I70-P232 PolarHBondContact N-O 3.37Å; I96-P232 HydrophobicContact CD1-CG 3.68Å; I96-P232 HydrophobicContact CG1-CG 4.48Å; T128-P232 HydrophobicContact CG2-CB 3.98Å; T128-P232 HydrophobicContact CG2-CG 3.64Å
233	V	92.3	Very high	70.2	Confident	19 Å²	19	59.3 Å²	59.3	12%	0.115	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	-81.9	143.6	171.6	-58.1	0	0	0	0	110	P22 Y66 I68 R69 G235 E236	P22-V233 HydrophobicContact CG-CG1 3.95Å; Y66-V233 HydrophobicContact CD1-CB 4.16Å; Y66-V233 HydrophobicContact CD1-CG2 3.62Å; Y66-V233 HydrophobicContact CD2-CG2 3.96Å; Y66-V233 HydrophobicContact CE1-CG2 4.08Å; Y66-V233 HydrophobicContact CE2-CG2 4.39Å; Y66-V233 HydrophobicContact CG-CB 3.95Å; Y66-V233 HydrophobicContact CG-CG2 3.54Å; I68-V233 WeakPolarHBondContact O-CA 3.23Å; R69-V233 HydrophobicContact CG-CG1 4.1Å; V233-G235 PolarHBondContact O-N 3.08Å; V233-E236 HydrophobicContact CG2-CB 3.74Å; V233-E236 HydrophobicContact CG2-CG 4.17Å; V233-E236 WeakPolarHBondContact O-CB 3.41Å; V233-E236 PolarHBondContact O-N 3.29Å
234	L	87.9	Confident	68.4	Low	7 Å²	7	59.6 Å²	59.6	4%	0.037	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	126.6	-178	-178.8	61.1	0	0	0	109.5	V18 V39 F42 V48 C62 I68 I70	V18-L234 HydrophobicContact CG1-CD2 4.3Å; V39-L234 HydrophobicContact CG2-CD2 3.52Å; F42-L234 HydrophobicContact CZ-CD1 4.32Å; V48-L234 HydrophobicContact CG1-CD2 4.07Å; V48-L234 HydrophobicContact CG2-CD2 4.09Å; C62-L234 WeakPolarHBondContact CA-O 3.29Å; C62-L234 VanDerWaalsContact CB-O 3.24Å; C62-L234 WeakPolarHBondContact CB-O 3.39Å; I68-L234 HydrophobicContact CB-CB 4.04Å; I68-L234 HydrophobicContact CB-CD2 4.32Å; I68-L234 HydrophobicContact CG2-CB 3.84Å; I68-L234 HydrophobicContact CG2-CD2 3.77Å; I68-L234 HydrophobicContact CG2-CG 4.5Å; I68-L234 PolarHBondContact O-N 3.44Å; I70-L234 HydrophobicContact CD1-CD1 3.92Å; I70-L234 HydrophobicContact CG1-CB 4.19Å; I70-L234 HydrophobicContact CG1-CD1 4.03Å
235	G	74.6	Confident	67	Low	23 Å²	23	59.1 Å²	59.1	24%	0.237	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	90.7	7.6	-176.3	0	0	0	0	0	115.2	C62 V233 Q237	C62-G235 CarbonylContact O-C 3.55Å; C62-G235 VanDerWaalsContact O-CA 3.32Å; C62-G235 WeakPolarHBondContact O-CA 3.44Å; V233-G235 PolarHBondContact O-N 3.08Å; G235-Q237 VanDerWaalsContact C-N 3.3Å; G235-Q237 PolarHBondContact O-N 2.85Å
236	E	66.4	Low	65.9	Low	88 Å²	88	57.1 Å²	57.1	41%	0.411	32%	0.321	S	S	.	.			trans	-63.2	82.9	169.8	-166.5	170.4	-133.1	0	0	111.3	R126 V233	R126-E236 IonicContact CZ-OE2 3.18Å; R126-E236 IonicContact NH2-OE1 2.7Å; R126-E236 IonicContact NH2-OE2 2.85Å; R126-E236 PolarHBondContact NH2-OE2 2.89Å; V233-E236 HydrophobicContact CG2-CB 3.74Å; V233-E236 HydrophobicContact CG2-CG 4.17Å; V233-E236 WeakPolarHBondContact O-CB 3.41Å; V233-E236 PolarHBondContact O-N 3.29Å
237	Q	52.5	Low	64.6	Low	112 Å²	112	62.5 Å²	62.5	52%	0.523	35%	0.346	S	S	.	.			trans	-90.3	126.7	165.6	-61.2	-158.7	0.4	0	0	109.7	A9 G235 G239	A9-Q237 PolarHBondContact O-NE2 2.74Å; G235-Q237 VanDerWaalsContact C-N 3.3Å; G235-Q237 PolarHBondContact O-N 2.85Å; Q237-G239 PolarHBondContact O-N 2.7Å
238	N	37.3	Very low	63.6	Low	107 Å²	107	67.5 Å²	67.5	57%	0.572	37%	0.372	S	S	*	.			trans	-71.8	77.6	165.7	-77.4	10.6	0	0	0	108.9	E133 N240	E133-N238 PolarHBondContact OE2-ND2 2.69Å; N238-N240 PolarHBondContact O-N 2.82Å
239	G	29.9	Very low	62.2	Low	56 Å²	56	66.8 Å²	66.8	58%	0.577	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	131.5	-174.9	0	0	0	0	0	113.2	Q237	Q237-G239 PolarHBondContact O-N 2.7Å
240	N	30.8	Very low	61.6	Low	171 Å²	171	64.7 Å²	64.7	91%	0.914	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.4	65.4	167.8	-67.2	0.6	0	0	0	115.8	N238	N238-N240 PolarHBondContact O-N 2.82Å
241	R	33	Very low	60.8	Low	201 Å²	201	66.3 Å²	66.3	76%	0.758	38%	0.379	S	S	*	.			trans	-129.4	139.5	156.5	-66.3	-170.4	174.1	-160.4	-3.7	110.1
242	N	34.7	Very low	60.1	Low	75 Å²	75	66.1 Å²	66.1	40%	0.401	38%	0.378	S	S	.	.			trans	-63.6	155.6	-178.9	-72.6	13.2	0	0	0	111.1	G244 G245	N242-G244 PolarHBondContact O-N 2.7Å; N242-G245 PolarHBondContact O-N 2.73Å
243	P	32.4	Very low	59.5	Low	122 Å²	122	68.4 Å²	68.4	79%	0.792	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-1.8	-167.7	-26.6	36.7	0	0	0	118.5
244	G	46.1	Very low	59	Low	33 Å²	33	68 Å²	68	34%	0.34	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.1	1.7	172.2	0	0	0	0	0	115.3	N242 L246	N242-G244 PolarHBondContact O-N 2.7Å; G244-L246 PolarHBondContact O-N 2.91Å
245	G	54.3	Low	58.3	Low	34 Å²	34	72.5 Å²	72.5	35%	0.351	41%	0.411	S	S	.	.			trans	68.1	2.4	178.1	0	0	0	0	0	116.9	N242	N242-G245 PolarHBondContact O-N 2.73Å
246	L	62.9	Low	57.9	Low	8 Å²	8	74.5 Å²	74.5	4%	0.042	42%	0.416	C	S	.	.			trans	-85.3	151.6	-177.9	-67.3	169.6	0	0	0	113.3	G244 D250 V252 I294 L311 K313	G244-L246 PolarHBondContact O-N 2.91Å; L246-D250 HydrophobicContact CD2-CB 4.29Å; L246-V252 HydrophobicContact CD1-CG1 3.86Å; L246-V252 HydrophobicContact CD2-CG1 3.45Å; L246-V252 VanDerWaalsContact CD2-CG1 3.45Å; L246-V252 HydrophobicContact CG-CG1 4.3Å; L246-I294 HydrophobicContact CD1-CG1 4.29Å; L246-I294 HydrophobicContact CD1-CG2 4.31Å; L246-L311 HydrophobicContact CD1-CB 3.64Å; L246-L311 HydrophobicContact CD1-CD1 3.94Å; L246-L311 HydrophobicContact CD1-CG 4.49Å; L246-K313 HydrophobicContact CD2-CB 3.74Å; L246-K313 HydrophobicContact CD2-CD 4.24Å; L246-K313 HydrophobicContact CD2-CG 4.06Å
247	Q	67.7	Low	57.9	Low	115 Å²	115	76.1 Å²	76.1	54%	0.537	43%	0.427	S	S	.	.			trans	-133.4	156.4	179.6	-61.1	-174.1	-12.4	0	0	111.5	G249 D250 V285	Q247-G249 PolarHBondContact O-N 2.86Å; Q247-D250 PolarHBondContact N-OD2 3.11Å; Q247-D250 VanDerWaalsContact O-CB 3.23Å; Q247-D250 WeakPolarHBondContact O-CB 3.47Å; Q247-D250 PolarHBondContact O-N 3.24Å; Q247-V285 WeakPolarHBondContact O-CB 3.12Å
248	I	69.4	Low	58.7	Low	115 Å²	115	73.2 Å²	73.2	59%	0.59	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	125.1	174.8	-59	175.1	0	0	0	109.4	I288	I248-I288 HydrophobicContact CG1-CG1 4.28Å
249	G	62.9	Low	60.3	Low	38 Å²	38	76 Å²	76	39%	0.392	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	99.8	-8.6	-172.4	0	0	0	0	0	114.9	Q247 V285	Q247-G249 PolarHBondContact O-N 2.86Å; G249-V285 PolarHBondContact N-O 3.04Å
250	D	77.8	Confident	62	Low	23 Å²	23	77 Å²	77	12%	0.123	42%	0.416	C	S	.	.			trans	-69	149	172.4	-76.5	-23.3	0	0	0	112	L246 Q247 T284 V285 K313	L246-D250 HydrophobicContact CD2-CB 4.29Å; Q247-D250 PolarHBondContact N-OD2 3.11Å; Q247-D250 VanDerWaalsContact O-CB 3.23Å; Q247-D250 WeakPolarHBondContact O-CB 3.47Å; Q247-D250 PolarHBondContact O-N 3.24Å; D250-T284 CarbonylContact O-C 3.36Å; D250-T284 WeakPolarHBondContact O-CA 3.45Å; D250-V285 HydrophobicContact CB-CG2 4.18Å; D250-V285 PolarHBondContact O-N 3.46Å; D250-K313 WeakPolarHBondContact OD1-CE 3.34Å; D250-K313 IonicContact OD1-NZ 3.94Å; D250-K313 PolarHBondContact OD1-NZ 3.45Å; D250-K313 WeakPolarHBondContact OD2-CE 3.05Å; D250-K313 IonicContact OD2-NZ 3Å; D250-K313 PolarHBondContact OD2-NZ 3.18Å
251	L	76.1	Confident	64.1	Low	41 Å²	41	68.8 Å²	68.8	22%	0.215	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	142.9	170.5	-66.8	171.3	0	0	0	109.8	T282 G283 T284 A314 V316	L251-T282 HydrophobicContact CB-CG2 3.86Å; L251-T282 HydrophobicContact CD2-CG2 4.24Å; L251-G283 CarbonylContact C-O 3.39Å; L251-G283 WeakPolarHBondContact CA-O 3.28Å; L251-T284 HydrophobicContact CD2-CG2 4.2Å; L251-T284 VanDerWaalsContact CD2-OG1 3.25Å; L251-T284 WeakPolarHBondContact CD2-OG1 3.48Å; L251-A314 HydrophobicContact CB-CB 4.07Å; L251-A314 PolarHBondContact O-N 2.79Å; L251-V316 HydrophobicContact CD1-CB 3.85Å; L251-V316 HydrophobicContact CD1-CG1 4.47Å; L251-V316 HydrophobicContact CD1-CG2 3.48Å; L251-V316 VanDerWaalsContact CD1-CG2 3.48Å
252	V	80.4	Confident	66.2	Low	0 Å²	0	62.5 Å²	62.5	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	144	-171.9	-72.4	0	0	0	0	113.2	L246 T282 G283 V285 V296 L311 T312	L246-V252 HydrophobicContact CD1-CG1 3.86Å; L246-V252 HydrophobicContact CD2-CG1 3.45Å; L246-V252 VanDerWaalsContact CD2-CG1 3.45Å; L246-V252 HydrophobicContact CG-CG1 4.3Å; V252-T282 CarbonylContact O-C 3.55Å; V252-T282 WeakPolarHBondContact O-CA 3.5Å; V252-G283 PolarHBondContact N-O 3.14Å; V252-G283 PolarHBondContact O-N 3.13Å; V252-V285 HydrophobicContact CG1-CG2 3.81Å; V252-V285 HydrophobicContact CG2-CG2 4.1Å; V252-V296 HydrophobicContact CG2-CB 4.38Å; V252-V296 HydrophobicContact CG2-CG1 3.54Å; V252-V296 HydrophobicContact CG2-CG2 3.83Å; V252-L311 HydrophobicContact CB-CB 4.28Å; V252-L311 HydrophobicContact CB-CD2 4.22Å; V252-L311 HydrophobicContact CG1-CB 4.22Å; V252-L311 HydrophobicContact CG1-CD1 4.5Å; V252-L311 HydrophobicContact CG2-CD1 4.36Å; V252-L311 HydrophobicContact CG2-CD2 4.11Å; V252-T312 CarbonylContact C-O 3.58Å; V252-T312 VanDerWaalsContact CA-O 3.27Å; V252-T312 WeakPolarHBondContact CA-O 3.47Å
253	N	79.7	Confident	68.2	Low	49 Å²	49	62.8 Å²	62.8	26%	0.262	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	166.8	172.2	-66.5	-9.5	0	0	0	110	T282 T312	N253-T282 WeakPolarHBondContact OD1-CA 3.46Å; N253-T282 WeakPolarHBondContact OD1-CB 3.01Å; N253-T282 WeakPolarHBondContact OD1-CG2 3.4Å; N253-T282 PolarHBondContact OD1-OG1 3.33Å; N253-T312 PolarHBondContact N-O 3.04Å; N253-T312 PolarHBondContact O-N 2.7Å
254	I	82.6	Confident	70.2	Confident	9 Å²	9	59.6 Å²	59.6	5%	0.046	34%	0.335	C	S	.	.			trans	-114.8	99.7	169.8	-59	178.6	0	0	0	108.3	L256 V261 T278 L279 F306 V310 L311	I254-L256 VanDerWaalsContact C-N 3.3Å; I254-L256 HydrophobicContact CG2-CB 4.43Å; I254-L256 PolarHBondContact O-N 2.8Å; I254-V261 HydrophobicContact CG2-CG2 3.49Å; I254-V261 VanDerWaalsContact CG2-CG2 3.49Å; I254-T278 WeakPolarHBondContact CD1-OG1 3.17Å; I254-L279 HydrophobicContact CB-CD2 4.32Å; I254-L279 HydrophobicContact CD1-CD2 4.42Å; I254-L279 HydrophobicContact CG2-CD2 3.89Å; I254-F306 HydrophobicContact CD1-CD1 4.19Å; I254-F306 HydrophobicContact CD1-CE1 3.53Å; I254-F306 HydrophobicContact CD1-CZ 3.73Å; I254-V310 HydrophobicContact CD1-CG1 3.88Å; I254-V310 HydrophobicContact CG1-CG1 4Å; I254-V310 HydrophobicContact CG2-CG1 3.9Å; I254-L311 HydrophobicContact CD1-CD2 4.41Å; I254-L311 HydrophobicContact CG1-CD2 3.94Å
255	D	71.7	Confident	72	Confident	102 Å²	102	58 Å²	58	55%	0.545	32%	0.319	S	S	.	.			trans	-96.6	34.6	-177.3	-51.4	-48.5	0	0	0	112	T312	D255-T312 WeakPolarHBondContact OD2-CB 3.27Å; D255-T312 VanDerWaalsContact OD2-CG2 3.31Å; D255-T312 WeakPolarHBondContact OD2-CG2 3.34Å; D255-T312 PolarHBondContact OD2-OG1 3.37Å
256	L	66.4	Low	73	Confident	65 Å²	65	63.7 Å²	63.7	34%	0.34	34%	0.336	S	S	.	.	S	Bend	trans	-127.8	147.7	-175.1	-63.1	179.7	0	0	0	111.7	I254 I260 V261 L264	I254-L256 VanDerWaalsContact C-N 3.3Å; I254-L256 HydrophobicContact CG2-CB 4.43Å; I254-L256 PolarHBondContact O-N 2.8Å; L256-I260 HydrophobicContact CD1-CG2 4.36Å; L256-V261 HydrophobicContact CB-CG2 3.85Å; L256-L264 HydrophobicContact CD1-CD1 3.98Å
257	D	67	Low	73.4	Confident	122 Å²	122	67.1 Å²	67.1	65%	0.652	37%	0.373	S	S	*	.			trans	-62.2	142.7	175.7	-65.7	-54.9	0	0	0	112.1	E259 I260 V261	D257-E259 VanDerWaalsContact C-N 3.27Å; D257-E259 PolarHBondContact O-N 2.86Å; D257-E259 VanDerWaalsContact O-N 3.13Å; D257-I260 HydrophobicContact CB-CD1 4.16Å; D257-I260 HydrophobicContact CB-CG1 4.31Å; D257-I260 WeakPolarHBondContact O-CA 3.38Å; D257-I260 WeakPolarHBondContact O-CB 3.46Å; D257-I260 PolarHBondContact O-N 2.79Å; D257-V261 PolarHBondContact O-N 3.4Å
258	L	69.3	Low	73.9	Confident	52 Å²	52	64.7 Å²	64.7	27%	0.272	36%	0.362	S	S	.	.	H	α-helix	trans	-52.1	-39.9	-174.3	174.2	62	0	0	0	113.9	I260 V261 Q262 W271 F276 L279	L258-I260 VanDerWaalsContact C-N 3.29Å; L258-I260 PolarHBondContact O-N 3.24Å; L258-V261 PolarHBondContact O-N 2.99Å; L258-Q262 HydrophobicContact CD1-CG 3.94Å; L258-Q262 HydrophobicContact CG-CG 4.38Å; L258-Q262 WeakPolarHBondContact O-CB 3.4Å; L258-Q262 VanDerWaalsContact O-CG 3.31Å; L258-Q262 WeakPolarHBondContact O-CG 3.25Å; L258-Q262 PolarHBondContact O-N 2.91Å; L258-W271 HydrophobicContact CD1-CD2 4.23Å; L258-W271 HydrophobicContact CD1-CH2 3.98Å; L258-W271 HydrophobicContact CD1-CZ2 3.49Å; L258-W271 VanDerWaalsContact CD1-CZ2 3.49Å; L258-F276 HydrophobicContact CD2-CE1 3.69Å; L258-F276 HydrophobicContact CD2-CZ 3.69Å; L258-L279 HydrophobicContact CD1-CD1 4.18Å
259	E	71.8	Confident	74.3	Confident	164 Å²	164	62.2 Å²	62.2	77%	0.766	37%	0.365	S	S	*	.	H	α-helix	trans	-64.4	-35.5	178.8	-61.5	-176.5	177	0	0	111.9	D257 S263	D257-E259 VanDerWaalsContact C-N 3.27Å; D257-E259 PolarHBondContact O-N 2.86Å; D257-E259 VanDerWaalsContact O-N 3.13Å; E259-S263 WeakPolarHBondContact O-CB 3.08Å; E259-S263 PolarHBondContact O-N 3.1Å
260	I	65.6	Low	75.2	Confident	77 Å²	77	61.6 Å²	61.6	40%	0.395	36%	0.359	S	S	.	.	H	α-helix	trans	-71.9	-44.2	176.2	-54.6	175.9	0	0	0	109.7	L256 D257 L258 S263 L264	L256-I260 HydrophobicContact CD1-CG2 4.36Å; D257-I260 HydrophobicContact CB-CD1 4.16Å; D257-I260 HydrophobicContact CB-CG1 4.31Å; D257-I260 WeakPolarHBondContact O-CA 3.38Å; D257-I260 WeakPolarHBondContact O-CB 3.46Å; D257-I260 PolarHBondContact O-N 2.79Å; L258-I260 VanDerWaalsContact C-N 3.29Å; L258-I260 PolarHBondContact O-N 3.24Å; I260-S263 PolarHBondContact O-N 3.27Å; I260-L264 HydrophobicContact CG2-CD1 3.96Å; I260-L264 HydrophobicContact CG2-CG 4.39Å; I260-L264 WeakPolarHBondContact O-CG 3.49Å; I260-L264 PolarHBondContact O-N 2.97Å
261	V	73.6	Confident	75.7	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-57.6	-50.8	175.2	177.3	0	0	0	0	110.3	I254 L256 D257 L258 S263 L264 Q265 W271 L279 V310	I254-V261 HydrophobicContact CG2-CG2 3.49Å; I254-V261 VanDerWaalsContact CG2-CG2 3.49Å; L256-V261 HydrophobicContact CB-CG2 3.85Å; D257-V261 PolarHBondContact O-N 3.4Å; L258-V261 PolarHBondContact O-N 2.99Å; V261-S263 VanDerWaalsContact C-N 3.32Å; V261-S263 PolarHBondContact O-N 3.32Å; V261-L264 PolarHBondContact O-N 3.3Å; V261-Q265 HydrophobicContact CG1-CG 4.32Å; V261-Q265 WeakPolarHBondContact O-CB 3.47Å; V261-Q265 VanDerWaalsContact O-CG 3.23Å; V261-Q265 WeakPolarHBondContact O-CG 3.04Å; V261-Q265 PolarHBondContact O-N 2.93Å; V261-W271 HydrophobicContact CG1-CE3 3.77Å; V261-W271 HydrophobicContact CG1-CZ3 3.64Å; V261-L279 HydrophobicContact CG2-CD2 4.27Å; V261-V310 HydrophobicContact CG1-CG1 3.91Å; V261-V310 HydrophobicContact CG2-CG1 4.33Å
262	Q	78.2	Confident	76.2	Confident	68 Å²	68	63.9 Å²	63.9	32%	0.318	37%	0.371	S	S	.	.	H	α-helix	trans	-58.5	-42.4	176.2	-74.6	176.5	-8.1	0	0	111.9	L258 H266 W271	L258-Q262 HydrophobicContact CD1-CG 3.94Å; L258-Q262 HydrophobicContact CG-CG 4.38Å; L258-Q262 WeakPolarHBondContact O-CB 3.4Å; L258-Q262 VanDerWaalsContact O-CG 3.31Å; L258-Q262 WeakPolarHBondContact O-CG 3.25Å; L258-Q262 PolarHBondContact O-N 2.91Å; Q262-H266 PolarHBondContact O-CE1 3.06Å; Q262-H266 PolarHBondContact O-ND1 3.47Å; Q262-W271 HydrophobicContact CG-CB 3.94Å; Q262-W271 HydrophobicContact CG-CD2 4.1Å; Q262-W271 HydrophobicContact CG-CG 3.65Å; Q262-W271 VanDerWaalsContact NE2-CD1 3.28Å
263	S	76.8	Confident	76.3	Confident	82 Å²	82	70.4 Å²	70.4	57%	0.573	41%	0.405	S	S	*	.	H	α-helix	trans	-63.7	-40.2	176.4	-172.5	0	0	0	0	113.2	E259 I260 V261	E259-S263 WeakPolarHBondContact O-CB 3.08Å; E259-S263 PolarHBondContact O-N 3.1Å; I260-S263 PolarHBondContact O-N 3.27Å; V261-S263 VanDerWaalsContact C-N 3.32Å; V261-S263 PolarHBondContact O-N 3.32Å
264	L	74.6	Confident	76.1	Confident	54 Å²	54	70 Å²	70	28%	0.283	41%	0.413	S	S	.	.	H	α-helix	trans	-76.1	-27.1	-178.6	-70.5	172.8	0	0	0	113.1	L256 I260 V261 H266 N307 A309 V310	L256-L264 HydrophobicContact CD1-CD1 3.98Å; I260-L264 HydrophobicContact CG2-CD1 3.96Å; I260-L264 HydrophobicContact CG2-CG 4.39Å; I260-L264 WeakPolarHBondContact O-CG 3.49Å; I260-L264 PolarHBondContact O-N 2.97Å; V261-L264 PolarHBondContact O-N 3.3Å; L264-H266 PolarHBondContact O-N 2.85Å; L264-N307 WeakPolarHBondContact O-CB 3.38Å; L264-N307 PolarHBondContact O-ND2 3.41Å; L264-A309 HydrophobicContact CD1-CB 4.46Å; L264-V310 HydrophobicContact CB-CG2 3.55Å; L264-V310 HydrophobicContact CD1-CG2 3.86Å; L264-V310 HydrophobicContact CG-CG2 4.37Å
265	Q	83.6	Confident	76.3	Confident	1 Å²	1	69.8 Å²	69.8	1%	0.005	41%	0.412	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-7.7	176.1	-73.4	-63.1	101	0	0	114.3	V261 G267 H268 G270 T305 F306	V261-Q265 HydrophobicContact CG1-CG 4.32Å; V261-Q265 WeakPolarHBondContact O-CB 3.47Å; V261-Q265 VanDerWaalsContact O-CG 3.23Å; V261-Q265 WeakPolarHBondContact O-CG 3.04Å; V261-Q265 PolarHBondContact O-N 2.93Å; Q265-G267 PolarHBondContact O-N 2.88Å; Q265-G267 VanDerWaalsContact O-N 3.11Å; Q265-H268 PolarHBondContact NE2-O 3.49Å; Q265-H268 CarbonylContact O-C 3.54Å; Q265-H268 PolarHBondContact O-N 3.07Å; Q265-H268 PolarHBondContact OE1-O 2.94Å; Q265-G270 WeakPolarHBondContact CB-O 3.3Å; Q265-G270 PolarHBondContact NE2-O 3.14Å; Q265-G270 VanDerWaalsContact O-CA 3.3Å; Q265-G270 WeakPolarHBondContact O-CA 3.2Å; Q265-G270 PolarHBondContact O-N 3.1Å; Q265-G270 VanDerWaalsContact O-N 3.07Å; Q265-T305 PolarHBondContact NE2-O 3.23Å; Q265-F306 VanDerWaalsContact OE1-CA 3.27Å
266	H	75.8	Confident	76.7	Confident	152 Å²	152	69.5 Å²	69.5	70%	0.704	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	110.7	178.4	-82.8	71.7	0	0	0	111.2	Q262 L264 H268	Q262-H266 PolarHBondContact O-CE1 3.06Å; Q262-H266 PolarHBondContact O-ND1 3.47Å; L264-H266 PolarHBondContact O-N 2.85Å; H266-H268 VanDerWaalsContact C-N 3.34Å
267	G	70	Confident	77.4	Confident	80 Å²	80	68.4 Å²	68.4	83%	0.825	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.5	-9	-172.9	0	0	0	0	0	114.3	Q265	Q265-G267 PolarHBondContact O-N 2.88Å; Q265-G267 VanDerWaalsContact O-N 3.11Å
268	H	78.6	Confident	78.1	Confident	64 Å²	64	62.6 Å²	62.6	30%	0.296	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.4	65.5	-169.8	-66.6	-79.5	0	0	0	111.1	Q265 H266 G270 D293 N307	Q265-H268 PolarHBondContact NE2-O 3.49Å; Q265-H268 CarbonylContact O-C 3.54Å; Q265-H268 PolarHBondContact O-N 3.07Å; Q265-H268 PolarHBondContact OE1-O 2.94Å; H266-H268 VanDerWaalsContact C-N 3.34Å; H268-G270 PolarHBondContact O-N 3.34Å; H268-G270 VanDerWaalsContact O-N 3.09Å; H268-D293 WeakPolarHBondContact CA-OD2 3.4Å; H268-D293 VanDerWaalsContact CB-OD2 3.27Å; H268-D293 WeakPolarHBondContact CB-OD2 3.25Å; H268-D293 IonicContact CE1-OD1 2.8Å; H268-D293 IonicContact CG-OD1 3.93Å; H268-D293 IonicContact CG-OD2 3.04Å; H268-D293 IonicContact ND1-OD1 3.33Å; H268-D293 PolarHBondContact ND1-OD1 2.98Å; H268-D293 IonicContact ND1-OD2 2.7Å; H268-D293 PolarHBondContact ND1-OD2 2.8Å; H268-N307 HydrophobicContact CB-CB 3.71Å; H268-N307 PolarHBondContact CD2-ND2 2.83Å
269	G	78.3	Confident	78.5	Confident	64 Å²	64	62.3 Å²	62.3	66%	0.66	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.3	-26.5	-174.6	0	0	0	0	0	116.1
270	G	81.2	Confident	78.2	Confident	25 Å²	25	60.5 Å²	60.5	26%	0.258	37%	0.367	S	S	.	.			trans	81.1	-174.3	179.2	0	0	0	0	0	114.2	Q265 H268 M275	Q265-G270 WeakPolarHBondContact CB-O 3.3Å; Q265-G270 PolarHBondContact NE2-O 3.14Å; Q265-G270 VanDerWaalsContact O-CA 3.3Å; Q265-G270 WeakPolarHBondContact O-CA 3.2Å; Q265-G270 PolarHBondContact O-N 3.1Å; Q265-G270 VanDerWaalsContact O-N 3.07Å; H268-G270 PolarHBondContact O-N 3.34Å; H268-G270 VanDerWaalsContact O-N 3.09Å; G270-M275 WeakPolarHBondContact O-CE 3.34Å
271	W	88.5	Confident	78.4	Confident	44 Å²	44	59.1 Å²	59.1	17%	0.167	36%	0.362	C	S	.	.			trans	-125.3	142.1	175.3	-177.3	-91.6	0	0	0	111	L258 V261 Q262 M275 F276 L279	L258-W271 HydrophobicContact CD1-CD2 4.23Å; L258-W271 HydrophobicContact CD1-CH2 3.98Å; L258-W271 HydrophobicContact CD1-CZ2 3.49Å; L258-W271 VanDerWaalsContact CD1-CZ2 3.49Å; V261-W271 HydrophobicContact CG1-CE3 3.77Å; V261-W271 HydrophobicContact CG1-CZ3 3.64Å; Q262-W271 HydrophobicContact CG-CB 3.94Å; Q262-W271 HydrophobicContact CG-CD2 4.1Å; Q262-W271 HydrophobicContact CG-CG 3.65Å; Q262-W271 VanDerWaalsContact NE2-CD1 3.28Å; W271-M275 HydrophobicContact CD2-CB 4.15Å; W271-M275 HydrophobicContact CD2-SD 4.48Å; W271-M275 HydrophobicContact CE3-CB 3.89Å; W271-M275 HydrophobicContact CE3-CE 3.79Å; W271-M275 HydrophobicContact CE3-SD 4.21Å; W271-M275 HydrophobicContact CH2-CB 3.64Å; W271-M275 VanDerWaalsContact CH2-O 3.31Å; W271-M275 WeakPolarHBondContact CH2-O 3.38Å; W271-M275 HydrophobicContact CZ2-CB 3.91Å; W271-M275 HydrophobicContact CZ3-CB 3.63Å; W271-M275 HydrophobicContact CZ3-CE 4.12Å; W271-F276 HydrophobicContact CZ2-CD1 4.48Å; W271-F276 HydrophobicContact CZ2-CD2 4.14Å; W271-F276 HydrophobicContact CZ2-CE2 4.34Å; W271-F276 HydrophobicContact CZ2-CG 4.22Å; W271-L279 HydrophobicContact CH2-CD1 4.16Å; W271-L279 HydrophobicContact CH2-CD2 3.9Å; W271-L279 HydrophobicContact CH2-CG 3.94Å; W271-L279 HydrophobicContact CZ2-CD1 4.46Å; W271-L279 HydrophobicContact CZ3-CD2 4.32Å
272	T	87.3	Confident	78.9	Confident	68 Å²	68	62 Å²	62	42%	0.417	38%	0.379	S	S	.	.			trans	-140.9	158.7	174.4	69.8	0	0	0	0	110.6	G274 M275	T272-G274 PolarHBondContact O-N 3.39Å; T272-G274 VanDerWaalsContact O-N 3.07Å; T272-M275 PolarHBondContact N-SD 3.13Å; T272-M275 VanDerWaalsContact N-SD 3.39Å; T272-M275 VanDerWaalsContact O-CB 3.32Å; T272-M275 WeakPolarHBondContact O-CB 3.47Å; T272-M275 PolarHBondContact O-N 3.1Å
273	D	81.4	Confident	79	Confident	136 Å²	136	58.7 Å²	58.7	73%	0.727	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-64.7	-14.7	-178.5	-60.8	-35	0	0	0	114	M275 F276	D273-M275 PolarHBondContact O-N 2.89Å; D273-F276 WeakPolarHBondContact O-CD2 3.5Å
274	G	76.5	Confident	79.4	Confident	41 Å²	41	57.4 Å²	57.4	42%	0.423	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-69.3	-21.5	169.7	0	0	0	0	0	113.6	T272 F276	T272-G274 PolarHBondContact O-N 3.39Å; T272-G274 VanDerWaalsContact O-N 3.07Å; G274-F276 VanDerWaalsContact C-N 3.33Å; G274-F276 PolarHBondContact O-N 3.08Å
275	M	86.6	Confident	80	Confident	4 Å²	4	54.9 Å²	54.9	2%	0.02	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-83	-4.1	-173.9	-64	169	68.3	0	0	113.7	G270 W271 T272 D273 E277 T278 W304 F306	G270-M275 WeakPolarHBondContact O-CE 3.34Å; W271-M275 HydrophobicContact CD2-CB 4.15Å; W271-M275 HydrophobicContact CD2-SD 4.48Å; W271-M275 HydrophobicContact CE3-CB 3.89Å; W271-M275 HydrophobicContact CE3-CE 3.79Å; W271-M275 HydrophobicContact CE3-SD 4.21Å; W271-M275 HydrophobicContact CH2-CB 3.64Å; W271-M275 VanDerWaalsContact CH2-O 3.31Å; W271-M275 WeakPolarHBondContact CH2-O 3.38Å; W271-M275 HydrophobicContact CZ2-CB 3.91Å; W271-M275 HydrophobicContact CZ3-CB 3.63Å; W271-M275 HydrophobicContact CZ3-CE 4.12Å; T272-M275 PolarHBondContact N-SD 3.13Å; T272-M275 VanDerWaalsContact N-SD 3.39Å; T272-M275 VanDerWaalsContact O-CB 3.32Å; T272-M275 WeakPolarHBondContact O-CB 3.47Å; T272-M275 PolarHBondContact O-N 3.1Å; D273-M275 PolarHBondContact O-N 2.89Å; M275-E277 PolarHBondContact O-N 3.19Å; M275-E277 VanDerWaalsContact O-N 3.1Å; M275-T278 WeakPolarHBondContact O-CB 3.48Å; M275-T278 WeakPolarHBondContact O-CG2 3.29Å; M275-T278 PolarHBondContact O-N 3.47Å; M275-T278 PolarHBondContact O-OG1 2.9Å; M275-W304 HydrophobicContact CE-CB 4.31Å; M275-W304 HydrophobicContact CG-CD2 3.41Å; M275-W304 VanDerWaalsContact CG-CD2 3.41Å; M275-W304 HydrophobicContact CG-CE3 3.43Å; M275-W304 VanDerWaalsContact CG-CE3 3.43Å; M275-W304 HydrophobicContact CG-CG 3.93Å; M275-W304 HydrophobicContact CG-CH2 4.02Å; M275-W304 HydrophobicContact CG-CZ2 4Å; M275-W304 HydrophobicContact CG-CZ3 3.74Å; M275-W304 HydrophobicContact SD-CD2 4.28Å; M275-W304 HydrophobicContact SD-CE3 3.82Å; M275-W304 HydrophobicContact SD-CZ3 4.2Å; M275-F306 HydrophobicContact CE-CD1 4.25Å; M275-F306 HydrophobicContact CE-CE1 3.48Å; M275-F306 VanDerWaalsContact CE-CE1 3.48Å; M275-F306 HydrophobicContact CE-CZ 3.71Å
276	F	80.7	Confident	80	Confident	96 Å²	96	56.8 Å²	56.8	42%	0.421	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-58.1	-25.4	178.2	-89.1	-83.3	0	0	0	113.9	L258 W271 D273 G274 T278 L279	L258-F276 HydrophobicContact CD2-CE1 3.69Å; L258-F276 HydrophobicContact CD2-CZ 3.69Å; W271-F276 HydrophobicContact CZ2-CD1 4.48Å; W271-F276 HydrophobicContact CZ2-CD2 4.14Å; W271-F276 HydrophobicContact CZ2-CE2 4.34Å; W271-F276 HydrophobicContact CZ2-CG 4.22Å; D273-F276 WeakPolarHBondContact O-CD2 3.5Å; G274-F276 VanDerWaalsContact C-N 3.33Å; G274-F276 PolarHBondContact O-N 3.08Å; F276-T278 PolarHBondContact O-N 2.99Å; F276-L279 HydrophobicContact CD1-CD1 4Å; F276-L279 HydrophobicContact CE1-CD1 4.37Å; F276-L279 PolarHBondContact O-N 2.84Å
277	E	79.5	Confident	80.1	Confident	42 Å²	42	50.3 Å²	50.3	20%	0.196	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-58.7	-27.9	172.7	69.3	-175.3	149.4	0	0	113.1	M275 L279 T280 T281 S300 N302 W304	M275-E277 PolarHBondContact O-N 3.19Å; M275-E277 VanDerWaalsContact O-N 3.1Å; E277-L279 PolarHBondContact O-N 2.88Å; E277-T280 PolarHBondContact O-N 2.95Å; E277-T281 WeakPolarHBondContact O-CB 3.43Å; E277-T281 PolarHBondContact O-N 2.91Å; E277-T281 PolarHBondContact O-OG1 2.92Å; E277-S300 PolarHBondContact OE1-OG 3.33Å; E277-S300 WeakPolarHBondContact OE2-CB 3.33Å; E277-S300 PolarHBondContact OE2-OG 2.57Å; E277-N302 VanDerWaalsContact OE1-CB 3.29Å; E277-N302 WeakPolarHBondContact OE1-CB 3.25Å; E277-N302 PolarHBondContact OE1-ND2 2.78Å; E277-W304 PolarHBondContact OE1-NE1 2.93Å
278	T	83.1	Confident	80.7	Confident	0 Å²	0	49 Å²	49	0%	0	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-80.4	-15.7	-169.9	69.6	0	0	0	0	113.8	I254 M275 F276 T280 Y298 W304 F306	I254-T278 WeakPolarHBondContact CD1-OG1 3.17Å; M275-T278 WeakPolarHBondContact O-CB 3.48Å; M275-T278 WeakPolarHBondContact O-CG2 3.29Å; M275-T278 PolarHBondContact O-N 3.47Å; M275-T278 PolarHBondContact O-OG1 2.9Å; F276-T278 PolarHBondContact O-N 2.99Å; T278-T280 VanDerWaalsContact C-N 3.35Å; T278-Y298 WeakPolarHBondContact CB-OH 3.37Å; T278-Y298 HydrophobicContact CG2-CD1 4.11Å; T278-Y298 HydrophobicContact CG2-CD2 3.86Å; T278-Y298 HydrophobicContact CG2-CE1 3.68Å; T278-Y298 HydrophobicContact CG2-CE2 3.42Å; T278-Y298 VanDerWaalsContact CG2-CE2 3.42Å; T278-Y298 HydrophobicContact CG2-CG 4.2Å; T278-W304 VanDerWaalsContact CG2-CD1 3.5Å; T278-W304 HydrophobicContact CG2-CG 4.29Å; T278-F306 HydrophobicContact CG2-CE2 4.38Å; T278-F306 HydrophobicContact CG2-CZ 3.88Å
279	L	76.8	Confident	80.5	Confident	47 Å²	47	48.7 Å²	48.7	25%	0.246	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-78.4	-19.3	175.4	-54.5	177.3	0	0	0	112.9	I254 L258 V261 W271 F276 E277	I254-L279 HydrophobicContact CB-CD2 4.32Å; I254-L279 HydrophobicContact CD1-CD2 4.42Å; I254-L279 HydrophobicContact CG2-CD2 3.89Å; L258-L279 HydrophobicContact CD1-CD1 4.18Å; V261-L279 HydrophobicContact CG2-CD2 4.27Å; W271-L279 HydrophobicContact CH2-CD1 4.16Å; W271-L279 HydrophobicContact CH2-CD2 3.9Å; W271-L279 HydrophobicContact CH2-CG 3.94Å; W271-L279 HydrophobicContact CZ2-CD1 4.46Å; W271-L279 HydrophobicContact CZ3-CD2 4.32Å; F276-L279 HydrophobicContact CD1-CD1 4Å; F276-L279 HydrophobicContact CE1-CD1 4.37Å; F276-L279 PolarHBondContact O-N 2.84Å; E277-L279 PolarHBondContact O-N 2.88Å
280	T	66.2	Low	80	Confident	125 Å²	125	54.5 Å²	54.5	77%	0.767	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.8	-4.9	-171.4	56.5	0	0	0	0	113.8	E277 T278	E277-T280 PolarHBondContact O-N 2.95Å; T278-T280 VanDerWaalsContact C-N 3.35Å
281	T	70.4	Confident	79.3	Confident	49 Å²	49	60 Å²	60	30%	0.301	33%	0.334	S	S	.	.	S	Bend	trans	-122.6	134.1	-178.1	-45	0	0	0	0	110.2	E277 G283 Y298 P299	E277-T281 WeakPolarHBondContact O-CB 3.43Å; E277-T281 PolarHBondContact O-N 2.91Å; E277-T281 PolarHBondContact O-OG1 2.92Å; T281-G283 PolarHBondContact O-N 3.37Å; T281-Y298 HydrophobicContact CG2-CD1 4.49Å; T281-Y298 WeakPolarHBondContact O-CE1 3.26Å; T281-P299 HydrophobicContact CG2-CG 3.93Å
282	T	82.2	Confident	78.4	Confident	59 Å²	59	62.7 Å²	62.7	36%	0.362	35%	0.349	S	S	.	.			trans	-69	124.4	172.1	-54.8	0	0	0	0	110.6	L251 V252 N253 A314	L251-T282 HydrophobicContact CB-CG2 3.86Å; L251-T282 HydrophobicContact CD2-CG2 4.24Å; V252-T282 CarbonylContact O-C 3.55Å; V252-T282 WeakPolarHBondContact O-CA 3.5Å; N253-T282 WeakPolarHBondContact OD1-CA 3.46Å; N253-T282 WeakPolarHBondContact OD1-CB 3.01Å; N253-T282 WeakPolarHBondContact OD1-CG2 3.4Å; N253-T282 PolarHBondContact OD1-OG1 3.33Å; T282-A314 HydrophobicContact CG2-CB 4.09Å
283	G	80.4	Confident	78.3	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	166.4	172.2	0	0	0	0	0	112.5	L251 V252 T281 Y298	L251-G283 CarbonylContact C-O 3.39Å; L251-G283 WeakPolarHBondContact CA-O 3.28Å; V252-G283 PolarHBondContact N-O 3.14Å; V252-G283 PolarHBondContact O-N 3.13Å; T281-G283 PolarHBondContact O-N 3.37Å; G283-Y298 VanDerWaalsContact CA-CE1 3.46Å
284	T	85.2	Confident	78.5	Confident	54 Å²	54	53.6 Å²	53.6	33%	0.331	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	125.9	171.8	-48.3	0	0	0	0	109.9	D250 L251 C286 V296 Q297	D250-T284 CarbonylContact O-C 3.36Å; D250-T284 WeakPolarHBondContact O-CA 3.45Å; L251-T284 HydrophobicContact CD2-CG2 4.2Å; L251-T284 VanDerWaalsContact CD2-OG1 3.25Å; L251-T284 WeakPolarHBondContact CD2-OG1 3.48Å; T284-C286 PolarHBondContact O-N 2.95Å; T284-V296 CarbonylContact O-C 3.52Å; T284-V296 WeakPolarHBondContact O-CA 3.45Å; T284-Q297 PolarHBondContact N-O 3.04Å; T284-Q297 PolarHBondContact O-N 3.12Å
285	V	88.9	Confident	79.1	Confident	1 Å²	1	53.1 Å²	53.1	1%	0.006	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	111.4	173.6	-178.3	0	0	0	0	108.9	Q247 G249 D250 V252 I294 V295 V296	Q247-V285 WeakPolarHBondContact O-CB 3.12Å; G249-V285 PolarHBondContact N-O 3.04Å; D250-V285 HydrophobicContact CB-CG2 4.18Å; D250-V285 PolarHBondContact O-N 3.46Å; V252-V285 HydrophobicContact CG1-CG2 3.81Å; V252-V285 HydrophobicContact CG2-CG2 4.1Å; V285-I294 HydrophobicContact CB-CG2 4.22Å; V285-I294 HydrophobicContact CG1-CG2 3.57Å; V285-I294 HydrophobicContact CG2-CG2 3.67Å; V285-V295 CarbonylContact C-O 3.51Å; V285-V296 HydrophobicContact CG2-CG2 4.43Å
286	C	83	Confident	79.4	Confident	42 Å²	42	52.9 Å²	52.9	28%	0.284	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	-11.3	-178.3	66.9	0	0	0	0	113.4	T284 V295 Q297	T284-C286 PolarHBondContact O-N 2.95Å; C286-V295 PolarHBondContact N-O 2.89Å; C286-V295 PolarHBondContact SG-O 2.87Å; C286-V295 VanDerWaalsContact SG-O 3.35Å; C286-Q297 HydrophobicContact CB-CB 4Å
287	G	77.6	Confident	79.8	Confident	15 Å²	15	51.4 Å²	51.4	16%	0.155	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.5	165.7	176	0	0	0	0	0	112	V295	G287-V295 PolarHBondContact N-O 2.87Å; G287-V295 VanDerWaalsContact N-O 3.15Å; G287-V295 PolarHBondContact O-N 2.99Å
288	I	82.2	Confident	80.2	Confident	53 Å²	53	49.7 Å²	49.7	27%	0.272	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	133.2	163.5	-58.2	176.3	0	0	0	104.6	I248 D293 I294	I248-I288 HydrophobicContact CG1-CG1 4.28Å; I288-D293 VanDerWaalsContact CA-O 3.31Å; I288-D293 WeakPolarHBondContact CA-O 2.75Å; I288-I294 HydrophobicContact CD1-CD1 4.24Å; I288-I294 HydrophobicContact CG1-CD1 4.05Å; I288-I294 HydrophobicContact CG2-CD1 4.4Å
289	D	75.1	Confident	80	Confident	57 Å²	57	54.9 Å²	54.9	31%	0.305	31%	0.305	S	S	.	.			trans	-93.7	-177.6	-176.1	60.4	37.5	0	0	0	113.5	D291 H292 D293 T305	D289-D291 VanDerWaalsContact C-N 3.29Å; D289-D291 PolarHBondContact O-N 3.07Å; D289-D291 PolarHBondContact OD1-N 2.88Å; D289-H292 PolarHBondContact O-N 3.14Å; D289-H292 VanDerWaalsContact O-N 3.13Å; D289-H292 PolarHBondContact OD1-N 2.74Å; D289-D293 PolarHBondContact N-O 3.03Å; D289-D293 VanDerWaalsContact N-O 3.09Å; D289-D293 PolarHBondContact OD1-N 3.31Å; D289-T305 WeakPolarHBondContact OD2-CG2 3.28Å
290	E	67.1	Low	80	Confident	186 Å²	186	55.9 Å²	55.9	87%	0.869	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-29.5	-174.4	-59.6	-172.3	175.5	0	0	112.3	H292	E290-H292 PolarHBondContact O-N 3.38Å; E290-H292 PolarHBondContact O-ND1 2.81Å
291	D	67.5	Low	80.5	Confident	140 Å²	140	52.1 Å²	52.1	75%	0.749	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	1.9	175.5	-68.3	-54.3	0	0	0	112.8	D289	D289-D291 VanDerWaalsContact C-N 3.29Å; D289-D291 PolarHBondContact O-N 3.07Å; D289-D291 PolarHBondContact OD1-N 2.88Å
292	H	68.9	Low	81.2	Confident	102 Å²	102	53.1 Å²	53.1	47%	0.472	31%	0.305	S	S	.	.			trans	74.2	17.5	177.7	-56	44	0	0	0	115.2	D289 E290 P308	D289-H292 PolarHBondContact O-N 3.14Å; D289-H292 VanDerWaalsContact O-N 3.13Å; D289-H292 PolarHBondContact OD1-N 2.74Å; E290-H292 PolarHBondContact O-N 3.38Å; E290-H292 PolarHBondContact O-ND1 2.81Å; H292-P308 WeakPolarHBondContact O-CG 3.45Å
293	D	84.8	Confident	81.6	Confident	8 Å²	8	57.6 Å²	57.6	4%	0.043	32%	0.316	C	S	.	.			trans	-78.9	157.6	171.8	-74.6	-28.9	0	0	0	111.9	H268 I288 D289 T305 F306 P308	H268-D293 WeakPolarHBondContact CA-OD2 3.4Å; H268-D293 VanDerWaalsContact CB-OD2 3.27Å; H268-D293 WeakPolarHBondContact CB-OD2 3.25Å; H268-D293 IonicContact CE1-OD1 2.8Å; H268-D293 IonicContact CG-OD1 3.93Å; H268-D293 IonicContact CG-OD2 3.04Å; H268-D293 IonicContact ND1-OD1 3.33Å; H268-D293 PolarHBondContact ND1-OD1 2.98Å; H268-D293 IonicContact ND1-OD2 2.7Å; H268-D293 PolarHBondContact ND1-OD2 2.8Å; I288-D293 VanDerWaalsContact CA-O 3.31Å; I288-D293 WeakPolarHBondContact CA-O 2.75Å; D289-D293 PolarHBondContact N-O 3.03Å; D289-D293 VanDerWaalsContact N-O 3.09Å; D289-D293 PolarHBondContact OD1-N 3.31Å; D293-T305 HydrophobicContact CB-CG2 3.53Å; D293-F306 WeakPolarHBondContact CB-O 3.39Å; D293-P308 VanDerWaalsContact OD1-CD 3.31Å; D293-P308 WeakPolarHBondContact OD1-CD 3.33Å
294	I	85.4	Confident	82.2	Confident	5 Å²	5	60.2 Å²	60.2	3%	0.026	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	113.6	-168.4	-47.6	-57.2	0	0	0	109.4	L246 V285 I288 V296 F306 P308 L311	L246-I294 HydrophobicContact CD1-CG1 4.29Å; L246-I294 HydrophobicContact CD1-CG2 4.31Å; V285-I294 HydrophobicContact CB-CG2 4.22Å; V285-I294 HydrophobicContact CG1-CG2 3.57Å; V285-I294 HydrophobicContact CG2-CG2 3.67Å; I288-I294 HydrophobicContact CD1-CD1 4.24Å; I288-I294 HydrophobicContact CG1-CD1 4.05Å; I288-I294 HydrophobicContact CG2-CD1 4.4Å; I294-V296 HydrophobicContact CG2-CG2 3.99Å; I294-F306 PolarHBondContact N-O 3.03Å; I294-F306 PolarHBondContact O-N 2.88Å; I294-P308 HydrophobicContact CD1-CB 4.44Å; I294-P308 HydrophobicContact CD1-CG 4.14Å; I294-P308 HydrophobicContact CG1-CB 4.09Å; I294-P308 HydrophobicContact CG1-CG 3.94Å; I294-L311 HydrophobicContact CB-CD1 3.57Å; I294-L311 HydrophobicContact CG1-CD1 4.14Å; I294-L311 HydrophobicContact CG2-CD1 3.49Å; I294-L311 VanDerWaalsContact CG2-CD1 3.49Å
295	V	89.8	Confident	82.6	Confident	30 Å²	30	59.5 Å²	59.5	18%	0.182	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	117.8	177.2	-167.1	0	0	0	0	109.1	V285 C286 G287	V285-V295 CarbonylContact C-O 3.51Å; C286-V295 PolarHBondContact N-O 2.89Å; C286-V295 PolarHBondContact SG-O 2.87Å; C286-V295 VanDerWaalsContact SG-O 3.35Å; G287-V295 PolarHBondContact N-O 2.87Å; G287-V295 VanDerWaalsContact N-O 3.15Å; G287-V295 PolarHBondContact O-N 2.99Å
296	V	91.8	Very high	82.6	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	129	-174.1	-173.1	0	0	0	0	110.4	V252 T284 V285 I294 Y298 R303 W304 F306 L311	V252-V296 HydrophobicContact CG2-CB 4.38Å; V252-V296 HydrophobicContact CG2-CG1 3.54Å; V252-V296 HydrophobicContact CG2-CG2 3.83Å; T284-V296 CarbonylContact O-C 3.52Å; T284-V296 WeakPolarHBondContact O-CA 3.45Å; V285-V296 HydrophobicContact CG2-CG2 4.43Å; I294-V296 HydrophobicContact CG2-CG2 3.99Å; V296-Y298 HydrophobicContact CB-CE2 3.73Å; V296-Y298 HydrophobicContact CG1-CD2 4.21Å; V296-Y298 HydrophobicContact CG1-CE1 4.4Å; V296-Y298 HydrophobicContact CG1-CE2 3.43Å; V296-Y298 VanDerWaalsContact CG1-CE2 3.43Å; V296-R303 WeakPolarHBondContact O-CA 3.42Å; V296-W304 PolarHBondContact N-O 2.74Å; V296-W304 PolarHBondContact O-N 3.47Å; V296-F306 HydrophobicContact CB-CD2 4.2Å; V296-F306 HydrophobicContact CB-CE2 4.27Å; V296-F306 HydrophobicContact CG2-CD2 3.89Å; V296-F306 HydrophobicContact CG2-CE2 4.41Å; V296-L311 HydrophobicContact CG2-CD1 3.55Å; V296-L311 HydrophobicContact CG2-CD2 4.24Å
297	Q	90.3	Very high	82.7	Confident	65 Å²	65	58.6 Å²	58.6	30%	0.304	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	135.6	173.3	-175.5	168.2	-19.4	0	0	111	T284 C286 N302 R303	T284-Q297 PolarHBondContact N-O 3.04Å; T284-Q297 PolarHBondContact O-N 3.12Å; C286-Q297 HydrophobicContact CB-CB 4Å; Q297-N302 WeakPolarHBondContact CA-O 3.16Å; Q297-R303 HydrophobicContact CB-CG 3.91Å; Q297-R303 HydrophobicContact CG-CG 3.97Å; Q297-R303 VanDerWaalsContact OE1-CZ 3.27Å
298	Y	88.6	Confident	82.9	Confident	5 Å²	5	58.8 Å²	58.8	2%	0.02	31%	0.312	C	S	.	.			trans	-107.7	162.4	-179	-69.8	-93.7	0	0	0	111.9	T278 T281 G283 V296 S300 G301 N302 W304 F306	T278-Y298 WeakPolarHBondContact CB-OH 3.37Å; T278-Y298 HydrophobicContact CG2-CD1 4.11Å; T278-Y298 HydrophobicContact CG2-CD2 3.86Å; T278-Y298 HydrophobicContact CG2-CE1 3.68Å; T278-Y298 HydrophobicContact CG2-CE2 3.42Å; T278-Y298 VanDerWaalsContact CG2-CE2 3.42Å; T278-Y298 HydrophobicContact CG2-CG 4.2Å; T281-Y298 HydrophobicContact CG2-CD1 4.49Å; T281-Y298 WeakPolarHBondContact O-CE1 3.26Å; G283-Y298 VanDerWaalsContact CA-CE1 3.46Å; V296-Y298 HydrophobicContact CB-CE2 3.73Å; V296-Y298 HydrophobicContact CG1-CD2 4.21Å; V296-Y298 HydrophobicContact CG1-CE1 4.4Å; V296-Y298 HydrophobicContact CG1-CE2 3.43Å; V296-Y298 VanDerWaalsContact CG1-CE2 3.43Å; Y298-S300 PolarHBondContact O-N 3.2Å; Y298-S300 VanDerWaalsContact O-N 3.1Å; Y298-G301 PolarHBondContact O-N 3.44Å; Y298-N302 PolarHBondContact N-O 3.45Å; Y298-W304 AromaticContact CD2-CD1 3.73Å; Y298-W304 HydrophobicContact CE2-CB 4.45Å; Y298-W304 AromaticContact CE2-CD1 3.92Å; Y298-F306 HydrophobicContact CE2-CE2 4.04Å; Y298-F306 WeakPolarHBondContact OH-CE2 3.4Å
299	P	76.9	Confident	82.5	Confident	110 Å²	110	59.3 Å²	59.3	71%	0.714	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-20.7	-179.3	-26.4	36.2	0	0	0	115	T281 G301	T281-P299 HydrophobicContact CG2-CG 3.93Å; P299-G301 PolarHBondContact O-N 3.11Å
300	S	78.1	Confident	82.8	Confident	67 Å²	67	56.6 Å²	56.6	47%	0.469	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-15.1	170.6	52.8	0	0	0	0	114.3	E277 Y298 N302	E277-S300 PolarHBondContact OE1-OG 3.33Å; E277-S300 WeakPolarHBondContact OE2-CB 3.33Å; E277-S300 PolarHBondContact OE2-OG 2.57Å; Y298-S300 PolarHBondContact O-N 3.2Å; Y298-S300 VanDerWaalsContact O-N 3.1Å; S300-N302 VanDerWaalsContact C-N 3.31Å; S300-N302 PolarHBondContact OG-N 3.26Å; S300-N302 PolarHBondContact OG-ND2 2.77Å
301	G	75.8	Confident	83.4	Confident	46 Å²	46	48.4 Å²	48.4	47%	0.474	27%	0.272	S	S	.	.	S	Bend	trans	90.5	-12.2	-170.4	0	0	0	0	0	113.9	Y298 P299	Y298-G301 PolarHBondContact O-N 3.44Å; P299-G301 PolarHBondContact O-N 3.11Å
302	N	86	Confident	83.8	Confident	70 Å²	70	44.9 Å²	44.9	37%	0.374	26%	0.255	S	S	.	.			trans	-65	152.9	177.2	-66.6	-23.6	0	0	0	111.7	E277 Q297 Y298 S300 W304	E277-N302 VanDerWaalsContact OE1-CB 3.29Å; E277-N302 WeakPolarHBondContact OE1-CB 3.25Å; E277-N302 PolarHBondContact OE1-ND2 2.78Å; Q297-N302 WeakPolarHBondContact CA-O 3.16Å; Y298-N302 PolarHBondContact N-O 3.45Å; S300-N302 VanDerWaalsContact C-N 3.31Å; S300-N302 PolarHBondContact OG-N 3.26Å; S300-N302 PolarHBondContact OG-ND2 2.77Å; N302-W304 HydrophobicContact CB-CZ2 4.39Å
303	R	90.8	Very high	84.1	Confident	154 Å²	154	44.3 Å²	44.3	58%	0.581	25%	0.252	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.9	130.6	174.9	-70.5	-177	173.6	-174.2	-4.2	109.7	V296 Q297	V296-R303 WeakPolarHBondContact O-CA 3.42Å; Q297-R303 HydrophobicContact CB-CG 3.91Å; Q297-R303 HydrophobicContact CG-CG 3.97Å; Q297-R303 VanDerWaalsContact OE1-CZ 3.27Å
304	W	93.6	Very high	82.9	Confident	54 Å²	54	45 Å²	45	21%	0.205	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	135.6	-175.8	-58.9	117.4	0	0	0	109.8	M275 E277 T278 V296 Y298 N302 F306	M275-W304 HydrophobicContact CE-CB 4.31Å; M275-W304 HydrophobicContact CG-CD2 3.41Å; M275-W304 VanDerWaalsContact CG-CD2 3.41Å; M275-W304 HydrophobicContact CG-CE3 3.43Å; M275-W304 VanDerWaalsContact CG-CE3 3.43Å; M275-W304 HydrophobicContact CG-CG 3.93Å; M275-W304 HydrophobicContact CG-CH2 4.02Å; M275-W304 HydrophobicContact CG-CZ2 4Å; M275-W304 HydrophobicContact CG-CZ3 3.74Å; M275-W304 HydrophobicContact SD-CD2 4.28Å; M275-W304 HydrophobicContact SD-CE3 3.82Å; M275-W304 HydrophobicContact SD-CZ3 4.2Å; E277-W304 PolarHBondContact OE1-NE1 2.93Å; T278-W304 VanDerWaalsContact CG2-CD1 3.5Å; T278-W304 HydrophobicContact CG2-CG 4.29Å; V296-W304 PolarHBondContact N-O 2.74Å; V296-W304 PolarHBondContact O-N 3.47Å; Y298-W304 AromaticContact CD2-CD1 3.73Å; Y298-W304 HydrophobicContact CE2-CB 4.45Å; Y298-W304 AromaticContact CE2-CD1 3.92Å; N302-W304 HydrophobicContact CB-CZ2 4.39Å; W304-F306 HydrophobicContact CB-CD2 4.36Å; W304-F306 HydrophobicContact CB-CE2 3.56Å; W304-F306 HydrophobicContact CB-CZ 3.9Å
305	T	91.8	Very high	80.9	Confident	39 Å²	39	52 Å²	52	24%	0.239	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	134	177.5	-61.5	0	0	0	0	109.7	Q265 D289 D293	Q265-T305 PolarHBondContact NE2-O 3.23Å; D289-T305 WeakPolarHBondContact OD2-CG2 3.28Å; D293-T305 HydrophobicContact CB-CG2 3.53Å
306	F	89	Confident	78.4	Confident	0 Å²	0	55 Å²	55	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	143.7	-177.5	-68	-81	0	0	0	113.4	I254 Q265 M275 T278 D293 I294 V296 Y298 W304 V310 L311	I254-F306 HydrophobicContact CD1-CD1 4.19Å; I254-F306 HydrophobicContact CD1-CE1 3.53Å; I254-F306 HydrophobicContact CD1-CZ 3.73Å; Q265-F306 VanDerWaalsContact OE1-CA 3.27Å; M275-F306 HydrophobicContact CE-CD1 4.25Å; M275-F306 HydrophobicContact CE-CE1 3.48Å; M275-F306 VanDerWaalsContact CE-CE1 3.48Å; M275-F306 HydrophobicContact CE-CZ 3.71Å; T278-F306 HydrophobicContact CG2-CE2 4.38Å; T278-F306 HydrophobicContact CG2-CZ 3.88Å; D293-F306 WeakPolarHBondContact CB-O 3.39Å; I294-F306 PolarHBondContact N-O 3.03Å; I294-F306 PolarHBondContact O-N 2.88Å; V296-F306 HydrophobicContact CB-CD2 4.2Å; V296-F306 HydrophobicContact CB-CE2 4.27Å; V296-F306 HydrophobicContact CG2-CD2 3.89Å; V296-F306 HydrophobicContact CG2-CE2 4.41Å; Y298-F306 HydrophobicContact CE2-CE2 4.04Å; Y298-F306 WeakPolarHBondContact OH-CE2 3.4Å; W304-F306 HydrophobicContact CB-CD2 4.36Å; W304-F306 HydrophobicContact CB-CE2 3.56Å; W304-F306 HydrophobicContact CB-CZ 3.9Å; F306-V310 HydrophobicContact CD1-CB 4.44Å; F306-V310 HydrophobicContact CD1-CG1 3.79Å; F306-V310 HydrophobicContact CE1-CG1 4.34Å; F306-L311 HydrophobicContact CB-CD1 3.91Å; F306-L311 HydrophobicContact CB-CD2 4.23Å; F306-L311 HydrophobicContact CB-CG 3.93Å; F306-L311 HydrophobicContact CD2-CD1 4.41Å; F306-L311 HydrophobicContact CD2-CD2 3.98Å; F306-L311 HydrophobicContact CE2-CD2 4.49Å; F306-L311 HydrophobicContact CG-CD1 4.45Å; F306-L311 HydrophobicContact CG-CD2 4.04Å; F306-L311 HydrophobicContact CG-CG 4.29Å
307	N	86.1	Confident	75.5	Confident	24 Å²	24	61.7 Å²	61.7	13%	0.128	36%	0.355	C	S	.	.			trans	-52.9	130.1	160.7	-175.2	-42.3	0	0	0	109.6	L264 H268 A309 V310	L264-N307 WeakPolarHBondContact O-CB 3.38Å; L264-N307 PolarHBondContact O-ND2 3.41Å; H268-N307 HydrophobicContact CB-CB 3.71Å; H268-N307 PolarHBondContact CD2-ND2 2.83Å; N307-A309 PolarHBondContact O-N 2.75Å; N307-A309 WeakPolarHBondContact OD1-CB 3.27Å; N307-A309 PolarHBondContact OD1-N 3.19Å; N307-V310 HydrophobicContact CB-CG2 4.06Å; N307-V310 WeakPolarHBondContact O-CB 3.4Å; N307-V310 PolarHBondContact O-N 3.3Å
308	P	80.7	Confident	72.6	Confident	19 Å²	19	67.9 Å²	67.9	12%	0.123	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-53.4	-26	179.8	-26.2	31.3	0	0	0	114.9	H292 D293 I294 V310	H292-P308 WeakPolarHBondContact O-CG 3.45Å; D293-P308 VanDerWaalsContact OD1-CD 3.31Å; D293-P308 WeakPolarHBondContact OD1-CD 3.33Å; I294-P308 HydrophobicContact CD1-CB 4.44Å; I294-P308 HydrophobicContact CD1-CG 4.14Å; I294-P308 HydrophobicContact CG1-CB 4.09Å; I294-P308 HydrophobicContact CG1-CG 3.94Å; P308-V310 VanDerWaalsContact C-N 3.31Å; P308-V310 PolarHBondContact O-N 2.8Å
309	A	75	Confident	69.9	Low	64 Å²	64	73.7 Å²	73.7	53%	0.529	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-76.6	-10.9	178.4	0	0	0	0	0	114.7	L264 N307	L264-A309 HydrophobicContact CD1-CB 4.46Å; N307-A309 PolarHBondContact O-N 2.75Å; N307-A309 WeakPolarHBondContact OD1-CB 3.27Å; N307-A309 PolarHBondContact OD1-N 3.19Å
310	V	80.3	Confident	67.5	Low	1 Å²	1	71.8 Å²	71.8	1%	0.006	42%	0.416	C	S	.	.	G	3₁₀ helix	trans	-83.2	-25.4	177.6	170.5	0	0	0	0	112.2	I254 V261 L264 F306 N307 P308	I254-V310 HydrophobicContact CD1-CG1 3.88Å; I254-V310 HydrophobicContact CG1-CG1 4Å; I254-V310 HydrophobicContact CG2-CG1 3.9Å; V261-V310 HydrophobicContact CG1-CG1 3.91Å; V261-V310 HydrophobicContact CG2-CG1 4.33Å; L264-V310 HydrophobicContact CB-CG2 3.55Å; L264-V310 HydrophobicContact CD1-CG2 3.86Å; L264-V310 HydrophobicContact CG-CG2 4.37Å; F306-V310 HydrophobicContact CD1-CB 4.44Å; F306-V310 HydrophobicContact CD1-CG1 3.79Å; F306-V310 HydrophobicContact CE1-CG1 4.34Å; N307-V310 HydrophobicContact CB-CG2 4.06Å; N307-V310 WeakPolarHBondContact O-CB 3.4Å; N307-V310 PolarHBondContact O-N 3.3Å; P308-V310 VanDerWaalsContact C-N 3.31Å; P308-V310 PolarHBondContact O-N 2.8Å
311	L	81.1	Confident	64.9	Low	13 Å²	13	77.6 Å²	77.6	7%	0.068	44%	0.436	C	S	.	.	P	Polyproline II helix	trans	-102.6	126.8	-168.9	-63.2	176	0	0	0	112.6	L246 V252 I254 I294 V296 F306	L246-L311 HydrophobicContact CD1-CB 3.64Å; L246-L311 HydrophobicContact CD1-CD1 3.94Å; L246-L311 HydrophobicContact CD1-CG 4.49Å; V252-L311 HydrophobicContact CB-CB 4.28Å; V252-L311 HydrophobicContact CB-CD2 4.22Å; V252-L311 HydrophobicContact CG1-CB 4.22Å; V252-L311 HydrophobicContact CG1-CD1 4.5Å; V252-L311 HydrophobicContact CG2-CD1 4.36Å; V252-L311 HydrophobicContact CG2-CD2 4.11Å; I254-L311 HydrophobicContact CD1-CD2 4.41Å; I254-L311 HydrophobicContact CG1-CD2 3.94Å; I294-L311 HydrophobicContact CB-CD1 3.57Å; I294-L311 HydrophobicContact CG1-CD1 4.14Å; I294-L311 HydrophobicContact CG2-CD1 3.49Å; I294-L311 VanDerWaalsContact CG2-CD1 3.49Å; V296-L311 HydrophobicContact CG2-CD1 3.55Å; V296-L311 HydrophobicContact CG2-CD2 4.24Å; F306-L311 HydrophobicContact CB-CD1 3.91Å; F306-L311 HydrophobicContact CB-CD2 4.23Å; F306-L311 HydrophobicContact CB-CG 3.93Å; F306-L311 HydrophobicContact CD2-CD1 4.41Å; F306-L311 HydrophobicContact CD2-CD2 3.98Å; F306-L311 HydrophobicContact CE2-CD2 4.49Å; F306-L311 HydrophobicContact CG-CD1 4.45Å; F306-L311 HydrophobicContact CG-CD2 4.04Å; F306-L311 HydrophobicContact CG-CG 4.29Å
312	T	75.9	Confident	62.5	Low	66 Å²	66	82.4 Å²	82.4	41%	0.405	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	132.2	169.2	-55.6	0	0	0	0	110.2	V252 N253 D255 A314	V252-T312 CarbonylContact C-O 3.58Å; V252-T312 VanDerWaalsContact CA-O 3.27Å; V252-T312 WeakPolarHBondContact CA-O 3.47Å; N253-T312 PolarHBondContact N-O 3.04Å; N253-T312 PolarHBondContact O-N 2.7Å; D255-T312 WeakPolarHBondContact OD2-CB 3.27Å; D255-T312 VanDerWaalsContact OD2-CG2 3.31Å; D255-T312 WeakPolarHBondContact OD2-CG2 3.34Å; D255-T312 PolarHBondContact OD2-OG1 3.37Å; T312-A314 PolarHBondContact O-N 2.87Å
313	K	73.8	Confident	59.7	Low	91 Å²	91	83.6 Å²	83.6	40%	0.396	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	118.2	177.3	-171.6	168.5	-179.9	152.6	0	112	L246 D250	L246-K313 HydrophobicContact CD2-CB 3.74Å; L246-K313 HydrophobicContact CD2-CD 4.24Å; L246-K313 HydrophobicContact CD2-CG 4.06Å; D250-K313 WeakPolarHBondContact OD1-CE 3.34Å; D250-K313 IonicContact OD1-NZ 3.94Å; D250-K313 PolarHBondContact OD1-NZ 3.45Å; D250-K313 WeakPolarHBondContact OD2-CE 3.05Å; D250-K313 IonicContact OD2-NZ 3Å; D250-K313 PolarHBondContact OD2-NZ 3.18Å
314	A	59.4	Low	56.5	Low	21 Å²	21	81.4 Å²	81.4	17%	0.174	49%	0.49	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	118.5	174.4	0	0	0	0	0	110.6	L251 T282 T312 V316	L251-A314 HydrophobicContact CB-CB 4.07Å; L251-A314 PolarHBondContact O-N 2.79Å; T282-A314 HydrophobicContact CG2-CB 4.09Å; T312-A314 PolarHBondContact O-N 2.87Å; A314-V316 PolarHBondContact O-N 3.14Å
315	N	44.3	Very low	53.2	Low	153 Å²	153	82.5 Å²	82.5	82%	0.818	52%	0.519	S	S	*	.			trans	-77.9	110.6	176.8	-77.5	-32	0	0	0	110.8
316	V	37.3	Very low	50.1	Low	92 Å²	92	85.7 Å²	85.7	56%	0.558	55%	0.549	S	S	*	.			trans	-117.1	116.4	169	176.9	0	0	0	0	109.6	L251 A314 R318	L251-V316 HydrophobicContact CD1-CB 3.85Å; L251-V316 HydrophobicContact CD1-CG1 4.47Å; L251-V316 HydrophobicContact CD1-CG2 3.48Å; L251-V316 VanDerWaalsContact CD1-CG2 3.48Å; A314-V316 PolarHBondContact O-N 3.14Å; V316-R318 PolarHBondContact O-N 3.18Å
317	V	31.8	Very low	47.4	Very low	142 Å²	142	95.4 Å²	95.4	86%	0.861	59%	0.594	S	S	*	*			trans	-70.2	108.1	171.6	179.5	0	0	0	0	108.3
318	R	27.5	Very low	44.5	Very low	195 Å²	195	98.4 Å²	98.4	74%	0.736	63%	0.631	S	S	*	*			trans	-78.5	124.4	169.5	-68.2	-170.3	-177.6	-174.8	4.2	109.3	V316 G320	V316-R318 PolarHBondContact O-N 3.18Å; R318-G320 PolarHBondContact O-N 2.81Å
319	S	31.9	Very low	41.9	Very low	127 Å²	127	101.2 Å²	101.2	89%	0.888	66%	0.664	S	S	*	*			trans	-73.7	117.8	174.2	34.7	0	0	0	0	110.8
320	G	26.6	Very low	39.8	Very low	69 Å²	69	104.1 Å²	104.1	71%	0.711	68%	0.68	S	S	*	*			trans	-179.3	115.2	177.8	0	0	0	0	0	113.9	R318	R318-G320 PolarHBondContact O-N 2.81Å
321	E	24.5	Very low	37.9	Very low	189 Å²	189	107.8 Å²	107.8	88%	0.883	71%	0.706	S	S	*	*			trans	60.6	96	154.6	-53.4	-164.5	144.3	0	0	120.7
322	V	25.9	Very low	36.9	Very low	147 Å²	147	115.1 Å²	115.1	89%	0.891	74%	0.74	S	S	*	*			trans	45	119.3	137.9	-160.9	0	0	0	0	120
323	A	26.6	Very low	36.8	Very low	96 Å²	96	112.9 Å²	112.9	79%	0.793	72%	0.724	S	S	*	*			trans	-86.7	156.6	177.1	0	0	0	0	0	115
324	A	24.5	Very low	37.1	Very low	107 Å²	107	113.8 Å²	113.8	88%	0.884	73%	0.73	S	S	*	*			trans	-130	105.8	159.3	0	0	0	0	0	108.6
325	G	24.2	Very low	38.2	Very low	78 Å²	78	117.5 Å²	117.5	80%	0.804	75%	0.75	S	S	*	*			trans	-72.7	161.6	-151.2	0	0	0	0	0	120.1
326	A	25.4	Very low	39.8	Very low	106 Å²	106	111.5 Å²	111.5	88%	0.876	72%	0.724	S	S	*	*			trans	-149.7	129.8	138.8	0	0	0	0	0	108.4
327	E	32.8	Very low	42.1	Very low	203 Å²	203	108.4 Å²	108.4	95%	0.949	70%	0.704	S	S	*	*			trans	-94.6	164.9	-174	-59.5	179.4	128	0	0	112.7
328	G	25.4	Very low	44.6	Very low	87 Å²	87	105.2 Å²	105.2	90%	0.897	68%	0.682	S	S	*	*			trans	175.9	3.4	174.1	0	0	0	0	0	119.4
329	G	26.5	Very low	47.5	Very low	79 Å²	79	95.9 Å²	95.9	81%	0.814	65%	0.647	S	S	*	*			trans	-115.9	120.8	-178.7	0	0	0	0	0	113.1
330	S	31.1	Very low	50.1	Low	124 Å²	124	93.8 Å²	93.8	87%	0.867	62%	0.623	S	S	*	*			trans	-80.5	118.9	-177.5	59.9	0	0	0	0	113
331	S	40.6	Very low	53.1	Low	78 Å²	78	90.5 Å²	90.5	55%	0.545	59%	0.589	S	S	.	*			trans	-73.6	147.3	172.9	49	0	0	0	0	112.7
332	Q	58.8	Low	56.1	Low	168 Å²	168	82.5 Å²	82.5	79%	0.785	55%	0.554	S	S	*	*	S	Bend	trans	-83.7	-17.1	-173.7	-171.2	169	-10.7	0	0	114
333	F	73.8	Confident	58.8	Low	18 Å²	18	84.4 Å²	84.4	8%	0.079	55%	0.546	C	S	.	.			trans	-128.4	155.6	-178.9	-62.4	-92.4	0	0	0	110.2	V339 I375 L381 P394 V397 K399	F333-V339 HydrophobicContact CD1-CG1 3.89Å; F333-V339 HydrophobicContact CE1-CG1 3.84Å; F333-I375 VanDerWaalsContact C-CD1 3.5Å; F333-I375 HydrophobicContact CB-CD1 4.09Å; F333-I375 WeakPolarHBondContact O-CD1 3.42Å; F333-L381 HydrophobicContact CB-CD1 4.31Å; F333-L381 HydrophobicContact CB-CD2 3.98Å; F333-L381 HydrophobicContact CD1-CD1 3.95Å; F333-L381 HydrophobicContact CD2-CD1 3.85Å; F333-L381 HydrophobicContact CD2-CD2 4.47Å; F333-L381 HydrophobicContact CE1-CD1 4.14Å; F333-L381 HydrophobicContact CE2-CD1 4.06Å; F333-L381 HydrophobicContact CG-CD1 3.78Å; F333-L381 HydrophobicContact CG-CD2 4.3Å; F333-L381 HydrophobicContact CZ-CD1 4.19Å; F333-P394 HydrophobicContact CD2-CB 4.41Å; F333-P394 HydrophobicContact CE2-CB 3.96Å; F333-V397 HydrophobicContact CE1-CG2 4.09Å; F333-V397 HydrophobicContact CZ-CG2 4.17Å; F333-K399 HydrophobicContact CD1-CB 4.28Å; F333-K399 HydrophobicContact CE1-CB 3.92Å
334	H	81	Confident	61.5	Low	111 Å²	111	83 Å²	83	51%	0.514	53%	0.525	S	S	.	.			trans	-130.1	150	-179.7	-66.4	54.7	0	0	0	110.1	G336 D337	H334-G336 PolarHBondContact O-N 3.33Å; H334-D337 PolarHBondContact N-OD2 3.43Å; H334-D337 VanDerWaalsContact O-CB 3.27Å; H334-D337 WeakPolarHBondContact O-CB 3.43Å; H334-D337 VanDerWaalsContact O-CG 3.29Å; H334-D337 PolarHBondContact O-N 3.26Å; H334-D337 VanDerWaalsContact O-N 3.13Å
335	V	81.2	Confident	64.1	Low	99 Å²	99	80.5 Å²	80.5	60%	0.6	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	130	173.2	172.4	0	0	0	0	109.8	Q373 I375	V335-Q373 VanDerWaalsContact CG1-O 3.25Å; V335-Q373 WeakPolarHBondContact CG1-O 3.46Å; V335-I375 HydrophobicContact CG2-CG1 4.24Å
336	G	78.3	Confident	66.9	Low	26 Å²	26	82.6 Å²	82.6	27%	0.268	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	99.2	-12.6	-175.3	0	0	0	0	0	114.9	H334 R371 V372	H334-G336 PolarHBondContact O-N 3.33Å; G336-R371 PolarHBondContact O-NE 2.93Å; G336-R371 VanDerWaalsContact O-NE 3.1Å; G336-V372 PolarHBondContact N-O 3.27Å
337	D	85.9	Confident	69.2	Low	27 Å²	27	84.4 Å²	84.4	14%	0.144	47%	0.473	C	S	.	.			trans	-58	142.6	176.9	-83.2	-23.9	0	0	0	112.4	H334 R371 V372 K399	H334-D337 PolarHBondContact N-OD2 3.43Å; H334-D337 VanDerWaalsContact O-CB 3.27Å; H334-D337 WeakPolarHBondContact O-CB 3.43Å; H334-D337 VanDerWaalsContact O-CG 3.29Å; H334-D337 PolarHBondContact O-N 3.26Å; H334-D337 VanDerWaalsContact O-N 3.13Å; D337-R371 CarbonylContact O-C 3.54Å; D337-R371 WeakPolarHBondContact O-CA 3.48Å; D337-V372 HydrophobicContact CB-CB 4.41Å; D337-V372 HydrophobicContact CB-CG2 4.1Å; D337-V372 PolarHBondContact O-N 3.41Å; D337-K399 WeakPolarHBondContact OD1-CE 3.31Å; D337-K399 IonicContact OD1-NZ 2.66Å; D337-K399 PolarHBondContact OD1-NZ 3.28Å; D337-K399 WeakPolarHBondContact OD2-CD 3.15Å; D337-K399 VanDerWaalsContact OD2-CE 3.27Å; D337-K399 WeakPolarHBondContact OD2-CE 3.23Å; D337-K399 IonicContact OD2-NZ 3.14Å; D337-K399 PolarHBondContact OD2-NZ 2.79Å
338	L	84.7	Confident	71.6	Confident	75 Å²	75	74.7 Å²	74.7	39%	0.393	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	132.8	165.8	-66.3	177.4	0	0	0	109.9	V369 G370 R371 I400	L338-V369 HydrophobicContact CB-CG1 4.31Å; L338-V369 HydrophobicContact CD2-CG1 4.39Å; L338-G370 WeakPolarHBondContact CA-O 3.47Å; L338-R371 HydrophobicContact CD2-CB 4.09Å; L338-R371 HydrophobicContact CD2-CG 4.17Å; L338-I400 HydrophobicContact CB-CB 4.37Å; L338-I400 PolarHBondContact O-N 2.84Å
339	V	87.3	Confident	74.3	Confident	0 Å²	0	73.3 Å²	73.3	0%	0	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	138.7	-178.7	-61.7	0	0	0	0	110.4	F333 V369 G370 V372 V383 V397 T398	F333-V339 HydrophobicContact CD1-CG1 3.89Å; F333-V339 HydrophobicContact CE1-CG1 3.84Å; V339-V369 WeakPolarHBondContact O-CA 3.4Å; V339-G370 PolarHBondContact N-O 2.8Å; V339-G370 PolarHBondContact O-N 3.5Å; V339-V372 HydrophobicContact CG1-CG2 3.76Å; V339-V372 HydrophobicContact CG2-CG2 4.09Å; V339-V383 HydrophobicContact CG2-CB 4.45Å; V339-V383 HydrophobicContact CG2-CG1 3.7Å; V339-V383 HydrophobicContact CG2-CG2 3.81Å; V339-V397 HydrophobicContact CB-CB 3.99Å; V339-V397 HydrophobicContact CB-CG2 3.93Å; V339-V397 HydrophobicContact CG1-CG2 4.13Å; V339-V397 HydrophobicContact CG2-CB 4.04Å; V339-V397 HydrophobicContact CG2-CG1 4.4Å; V339-V397 HydrophobicContact CG2-CG2 4.03Å; V339-T398 CarbonylContact C-O 3.44Å; V339-T398 VanDerWaalsContact CA-O 3.29Å; V339-T398 WeakPolarHBondContact CA-O 3.41Å
340	Q	87.6	Confident	76.5	Confident	82 Å²	82	74.9 Å²	74.9	38%	0.383	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	127.5	169.3	-161.1	173.8	8.6	0	0	109.3	G367 K368 V397 T398 I400	Q340-G367 WeakPolarHBondContact CG-O 3.05Å; Q340-G367 PolarHBondContact NE2-O 2.85Å; Q340-K368 WeakPolarHBondContact CA-O 3.29Å; Q340-V397 CarbonylContact O-C 3.37Å; Q340-V397 VanDerWaalsContact O-CA 3.23Å; Q340-V397 WeakPolarHBondContact O-CA 3.21Å; Q340-T398 PolarHBondContact N-O 3.05Å; Q340-T398 PolarHBondContact O-N 3.49Å; Q340-I400 HydrophobicContact CB-CD1 3.79Å; Q340-I400 HydrophobicContact CB-CG1 4.29Å
341	I	89.8	Confident	78.4	Confident	1 Å²	1	71 Å²	71	1%	0.005	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	144.9	174.2	-66.2	132.1	0	0	0	109.3	Y343 I348 G367 K368 V383 V385 Y392 V397	I341-Y343 PolarHBondContact O-N 3.17Å; I341-I348 HydrophobicContact CG2-CD1 3.54Å; I341-G367 WeakPolarHBondContact O-CA 3.18Å; I341-G367 PolarHBondContact O-N 2.85Å; I341-G367 VanDerWaalsContact O-N 3.08Å; I341-K368 PolarHBondContact N-O 2.65Å; I341-V383 HydrophobicContact CD1-CG1 4.33Å; I341-V385 HydrophobicContact CD1-CB 3.72Å; I341-V385 HydrophobicContact CD1-CG1 3.73Å; I341-V385 HydrophobicContact CD1-CG2 3.62Å; I341-Y392 HydrophobicContact CD1-CE2 4.15Å; I341-Y392 HydrophobicContact CG1-CE1 4.21Å; I341-Y392 HydrophobicContact CG1-CE2 4.15Å; I341-Y392 HydrophobicContact CG2-CD1 4.27Å; I341-Y392 HydrophobicContact CG2-CE1 3.74Å; I341-V397 HydrophobicContact CB-CG1 4.48Å; I341-V397 HydrophobicContact CG1-CG1 3.83Å
342	C	85.8	Confident	80.3	Confident	20 Å²	20	67.2 Å²	67.2	14%	0.135	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-52.8	140.8	178.6	-162.2	0	0	0	0	111	I348 L366 G367 A396	C342-I348 HydrophobicContact CB-CB 4.29Å; C342-I348 HydrophobicContact CB-CD1 4.27Å; C342-L366 WeakPolarHBondContact O-CA 3.29Å; C342-L366 WeakPolarHBondContact O-CG 3.42Å; C342-G367 PolarHBondContact O-N 2.96Å; C342-A396 WeakPolarHBondContact CB-O 3.35Å; C342-A396 PolarHBondContact N-O 3.08Å
343	Y	82.9	Confident	80.8	Confident	188 Å²	188	67.1 Å²	67.1	74%	0.737	32%	0.322	S	S	*	.			trans	-95.9	-10.2	177.6	58	-98.1	0	0	0	113	I341	I341-Y343 PolarHBondContact O-N 3.17Å
344	D	83.6	Confident	80.1	Confident	66 Å²	66	69.5 Å²	69.5	35%	0.353	35%	0.352	S	S	.	.			trans	-87.6	113.5	179.5	175.6	-19.1	0	0	0	109	D346 R347 I348	D344-D346 PolarHBondContact OD1-N 3.07Å; D344-R347 HydrophobicContact CB-CB 3.88Å; D344-R347 WeakPolarHBondContact OD1-CB 3.33Å; D344-R347 PolarHBondContact OD1-N 3.48Å; D344-R347 WeakPolarHBondContact OD2-CB 3.38Å; D344-I348 WeakPolarHBondContact O-CB 3.27Å; D344-I348 VanDerWaalsContact O-CG2 3.24Å; D344-I348 WeakPolarHBondContact O-CG2 3.33Å; D344-I348 PolarHBondContact O-N 3.39Å
345	I	79.9	Confident	79.1	Confident	55 Å²	55	67.2 Å²	67.2	28%	0.282	34%	0.341	S	S	.	.	H	α-helix	trans	-72.9	-34.7	-171.5	-167.9	167	0	0	0	113.1	K349 L363 L366	I345-K349 HydrophobicContact CG1-CD 4.09Å; I345-K349 VanDerWaalsContact O-CB 3.22Å; I345-K349 WeakPolarHBondContact O-CB 3.21Å; I345-K349 WeakPolarHBondContact O-CG 3.45Å; I345-K349 PolarHBondContact O-N 2.82Å; I345-L363 HydrophobicContact CD1-CD1 3.75Å; I345-L363 HydrophobicContact CD1-CG 4.06Å; I345-L366 HydrophobicContact CB-CD2 3.73Å; I345-L366 HydrophobicContact CD1-CD2 4.31Å; I345-L366 HydrophobicContact CG1-CD2 3.94Å
346	D	81.7	Confident	78.3	Confident	122 Å²	122	65.3 Å²	65.3	65%	0.652	34%	0.342	S	S	*	.	H	α-helix	trans	-76.9	-37.7	-179.9	-64.2	-47.4	0	0	0	110	D344 L350	D344-D346 PolarHBondContact OD1-N 3.07Å; D346-L350 WeakPolarHBondContact O-CB 3.28Å; D346-L350 PolarHBondContact O-N 2.93Å
347	R	74.8	Confident	78.2	Confident	143 Å²	143	68.9 Å²	68.9	54%	0.54	35%	0.351	S	S	.	.	H	α-helix	trans	-65.9	-43.6	173.4	-176	174.4	174.1	171.8	-1.9	112.9	D344 L350 L351	D344-R347 HydrophobicContact CB-CB 3.88Å; D344-R347 WeakPolarHBondContact OD1-CB 3.33Å; D344-R347 PolarHBondContact OD1-N 3.48Å; D344-R347 WeakPolarHBondContact OD2-CB 3.38Å; R347-L350 PolarHBondContact O-N 2.95Å; R347-L351 HydrophobicContact CG-CD1 3.92Å; R347-L351 WeakPolarHBondContact O-CB 3.44Å; R347-L351 VanDerWaalsContact O-CG 3.28Å; R347-L351 WeakPolarHBondContact O-CG 3.43Å; R347-L351 PolarHBondContact O-N 3.31Å
348	I	82.1	Confident	78	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-70.5	-37	177.5	-164.7	165.5	0	0	0	111.8	I341 C342 D344 L350 L351 Q352 W358 L366 Y392 A396	I341-I348 HydrophobicContact CG2-CD1 3.54Å; C342-I348 HydrophobicContact CB-CB 4.29Å; C342-I348 HydrophobicContact CB-CD1 4.27Å; D344-I348 WeakPolarHBondContact O-CB 3.27Å; D344-I348 VanDerWaalsContact O-CG2 3.24Å; D344-I348 WeakPolarHBondContact O-CG2 3.33Å; D344-I348 PolarHBondContact O-N 3.39Å; I348-L350 VanDerWaalsContact C-N 3.26Å; I348-L350 PolarHBondContact O-N 3.41Å; I348-L351 PolarHBondContact O-N 3.18Å; I348-Q352 HydrophobicContact CG1-CG 4.09Å; I348-Q352 WeakPolarHBondContact O-CB 3.23Å; I348-Q352 VanDerWaalsContact O-CG 3.28Å; I348-Q352 WeakPolarHBondContact O-CG 3.33Å; I348-Q352 PolarHBondContact O-N 2.86Å; I348-W358 HydrophobicContact CD1-CZ3 4.42Å; I348-W358 HydrophobicContact CG1-CZ3 4.39Å; I348-W358 HydrophobicContact CG2-CE3 4.26Å; I348-W358 HydrophobicContact CG2-CH2 4.43Å; I348-W358 HydrophobicContact CG2-CZ3 3.83Å; I348-L366 HydrophobicContact CD1-CD1 4.24Å; I348-L366 HydrophobicContact CG2-CD1 4.04Å; I348-L366 HydrophobicContact CG2-CD2 4.35Å; I348-L366 HydrophobicContact CG2-CG 4.26Å; I348-Y392 HydrophobicContact CD1-CD1 4.17Å; I348-Y392 HydrophobicContact CD1-CE1 4.06Å; I348-A396 HydrophobicContact CD1-CB 4.39Å; I348-A396 HydrophobicContact CG1-CB 4.13Å
349	K	82	Confident	78	Confident	58 Å²	58	67.8 Å²	67.8	25%	0.252	35%	0.348	S	S	.	.	H	α-helix	trans	-60.1	-33.8	171.1	-80.6	175.6	169.9	-176.7	0	113.1	I345 W358 E360	I345-K349 HydrophobicContact CG1-CD 4.09Å; I345-K349 VanDerWaalsContact O-CB 3.22Å; I345-K349 WeakPolarHBondContact O-CB 3.21Å; I345-K349 WeakPolarHBondContact O-CG 3.45Å; I345-K349 PolarHBondContact O-N 2.82Å; K349-W358 VanDerWaalsContact CE-CE2 3.45Å; K349-W358 HydrophobicContact CG-CB 4.32Å; K349-W358 HydrophobicContact CG-CD2 3.76Å; K349-W358 HydrophobicContact CG-CE3 4.36Å; K349-W358 HydrophobicContact CG-CG 3.69Å; K349-E360 WeakPolarHBondContact CE-OE1 3.48Å; K349-E360 IonicContact NZ-OE1 2.72Å; K349-E360 PolarHBondContact NZ-OE1 2.91Å; K349-E360 IonicContact NZ-OE2 2.77Å
350	L	72.8	Confident	77.8	Confident	112 Å²	112	73 Å²	73	59%	0.586	37%	0.372	S	S	*	.	H	α-helix	trans	-73.3	-45	174.3	-177.4	61.4	0	0	0	112.2	D346 R347 I348 Q352	D346-L350 WeakPolarHBondContact O-CB 3.28Å; D346-L350 PolarHBondContact O-N 2.93Å; R347-L350 PolarHBondContact O-N 2.95Å; I348-L350 VanDerWaalsContact C-N 3.26Å; I348-L350 PolarHBondContact O-N 3.41Å; L350-Q352 PolarHBondContact O-N 3.45Å
351	L	72.9	Confident	77.6	Confident	41 Å²	41	72.2 Å²	72.2	22%	0.215	38%	0.381	C	S	.	.	H	α-helix	trans	-71.8	-25.4	-175.9	-71	170.2	0	0	0	114.3	R347 I348 N393 A395 A396	R347-L351 HydrophobicContact CG-CD1 3.92Å; R347-L351 WeakPolarHBondContact O-CB 3.44Å; R347-L351 VanDerWaalsContact O-CG 3.28Å; R347-L351 WeakPolarHBondContact O-CG 3.43Å; R347-L351 PolarHBondContact O-N 3.31Å; I348-L351 PolarHBondContact O-N 3.18Å; L351-N393 HydrophobicContact CB-CB 4.42Å; L351-N393 WeakPolarHBondContact O-CB 3.5Å; L351-N393 PolarHBondContact O-ND2 3.11Å; L351-A395 HydrophobicContact CD1-CB 4.44Å; L351-A395 HydrophobicContact CD2-CB 4.17Å; L351-A396 HydrophobicContact CB-CB 4.24Å; L351-A396 HydrophobicContact CD1-CB 4.21Å
352	Q	79.6	Confident	77.3	Confident	0 Å²	0	72.4 Å²	72.4	0%	0	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-15	178.7	-74.2	-61.2	114.6	0	0	114.4	I348 L350 G354 H355 E357 W358 T391 Y392	I348-Q352 HydrophobicContact CG1-CG 4.09Å; I348-Q352 WeakPolarHBondContact O-CB 3.23Å; I348-Q352 VanDerWaalsContact O-CG 3.28Å; I348-Q352 WeakPolarHBondContact O-CG 3.33Å; I348-Q352 PolarHBondContact O-N 2.86Å; L350-Q352 PolarHBondContact O-N 3.45Å; Q352-G354 PolarHBondContact O-N 3.5Å; Q352-H355 PolarHBondContact NE2-O 2.73Å; Q352-H355 CarbonylContact O-C 3.58Å; Q352-H355 WeakPolarHBondContact O-CA 3.15Å; Q352-H355 PolarHBondContact O-N 3.35Å; Q352-E357 PolarHBondContact NE2-O 2.81Å; Q352-E357 WeakPolarHBondContact O-CA 3.36Å; Q352-E357 PolarHBondContact O-N 2.93Å; Q352-W358 HydrophobicContact CB-CB 4.15Å; Q352-W358 HydrophobicContact CG-CE3 4.47Å; Q352-T391 PolarHBondContact NE2-O 3.01Å; Q352-Y392 VanDerWaalsContact OE1-CA 3.3Å
353	R	69.8	Low	77.3	Confident	165 Å²	165	75.3 Å²	75.3	62%	0.623	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	125.8	178.8	-70.7	176.4	-178.7	-179.9	-1	110.4	H355 E357	R353-H355 PolarHBondContact O-CD2 2.81Å; R353-H355 PolarHBondContact O-N 2.96Å; R353-E357 WeakPolarHBondContact CA-OE1 3.5Å
354	G	57.9	Low	77.4	Confident	68 Å²	68	70.3 Å²	70.3	70%	0.701	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	74	-5.7	-171.2	0	0	0	0	0	115.4	Q352 E357	Q352-G354 PolarHBondContact O-N 3.5Å; G354-E357 PolarHBondContact N-OE1 2.74Å
355	H	61.6	Low	77.6	Confident	64 Å²	64	67.3 Å²	67.3	30%	0.296	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.3	60.8	-172.2	-75.5	-85.7	0	0	0	110.9	Q352 R353 E357 D380 N393	Q352-H355 PolarHBondContact NE2-O 2.73Å; Q352-H355 CarbonylContact O-C 3.58Å; Q352-H355 WeakPolarHBondContact O-CA 3.15Å; Q352-H355 PolarHBondContact O-N 3.35Å; R353-H355 PolarHBondContact O-CD2 2.81Å; R353-H355 PolarHBondContact O-N 2.96Å; H355-E357 VanDerWaalsContact C-N 3.27Å; H355-E357 PolarHBondContact O-N 2.87Å; H355-D380 VanDerWaalsContact CA-OD2 3.27Å; H355-D380 WeakPolarHBondContact CA-OD2 3.42Å; H355-D380 WeakPolarHBondContact CB-OD2 3.48Å; H355-D380 IonicContact CE1-OD1 2.82Å; H355-D380 IonicContact CG-OD1 2.71Å; H355-D380 IonicContact CG-OD2 3.89Å; H355-D380 VanDerWaalsContact ND1-CG 3.33Å; H355-D380 IonicContact ND1-OD1 2.65Å; H355-D380 PolarHBondContact ND1-OD1 3.03Å; H355-D380 IonicContact ND1-OD2 3.77Å; H355-D380 PolarHBondContact ND1-OD2 3.11Å; H355-N393 HydrophobicContact CB-CB 3.94Å; H355-N393 PolarHBondContact CD2-ND2 3.2Å
356	G	62.5	Low	77.9	Confident	59 Å²	59	66.2 Å²	66.2	61%	0.608	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.4	-5.8	-173.6	0	0	0	0	0	115.5
357	E	76.2	Confident	77.7	Confident	101 Å²	101	61.5 Å²	61.5	47%	0.472	34%	0.344	S	S	.	.			trans	61.2	168	-173.2	-72	-56.9	143.9	0	0	115.1	Q352 R353 G354 H355	Q352-E357 PolarHBondContact NE2-O 2.81Å; Q352-E357 WeakPolarHBondContact O-CA 3.36Å; Q352-E357 PolarHBondContact O-N 2.93Å; R353-E357 WeakPolarHBondContact CA-OE1 3.5Å; G354-E357 PolarHBondContact N-OE1 2.74Å; H355-E357 VanDerWaalsContact C-N 3.27Å; H355-E357 PolarHBondContact O-N 2.87Å
358	W	82.8	Confident	78.3	Confident	39 Å²	39	59.8 Å²	59.8	15%	0.148	34%	0.341	C	S	.	.			trans	-96.1	125.9	172.6	171.9	-92.7	0	0	0	111.2	I348 K349 Q352 E360 M362 L363 L366	I348-W358 HydrophobicContact CD1-CZ3 4.42Å; I348-W358 HydrophobicContact CG1-CZ3 4.39Å; I348-W358 HydrophobicContact CG2-CE3 4.26Å; I348-W358 HydrophobicContact CG2-CH2 4.43Å; I348-W358 HydrophobicContact CG2-CZ3 3.83Å; K349-W358 VanDerWaalsContact CE-CE2 3.45Å; K349-W358 HydrophobicContact CG-CB 4.32Å; K349-W358 HydrophobicContact CG-CD2 3.76Å; K349-W358 HydrophobicContact CG-CE3 4.36Å; K349-W358 HydrophobicContact CG-CG 3.69Å; Q352-W358 HydrophobicContact CB-CB 4.15Å; Q352-W358 HydrophobicContact CG-CE3 4.47Å; W358-E360 PolarHBondContact NE1-OE1 3.03Å; W358-M362 HydrophobicContact CE3-CB 4.11Å; W358-M362 HydrophobicContact CE3-SD 4.25Å; W358-M362 HydrophobicContact CH2-CB 3.72Å; W358-M362 HydrophobicContact CZ2-CB 4.33Å; W358-M362 HydrophobicContact CZ3-CB 3.59Å; W358-L363 HydrophobicContact CH2-CB 4.34Å; W358-L363 HydrophobicContact CZ2-CB 4.1Å; W358-L366 HydrophobicContact CH2-CD1 3.59Å; W358-L366 HydrophobicContact CZ3-CD1 3.84Å
359	A	84.2	Confident	78.5	Confident	39 Å²	39	63.4 Å²	63.4	32%	0.322	36%	0.363	S	S	.	.			trans	-110.9	137.8	166.2	0	0	0	0	0	110.4	A361 M362 W390	A359-A361 PolarHBondContact O-N 2.89Å; A359-M362 HydrophobicContact CB-CG 4.31Å; A359-M362 HydrophobicContact CB-SD 4.3Å; A359-M362 WeakPolarHBondContact O-CB 3.29Å; A359-M362 WeakPolarHBondContact O-CG 3.46Å; A359-M362 PolarHBondContact O-N 3.06Å; A359-W390 HydrophobicContact CB-CZ3 4.24Å
360	E	83.8	Confident	78.7	Confident	109 Å²	109	60.9 Å²	60.9	51%	0.509	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-60.2	-20.8	177.1	-67.7	-62.3	133.1	0	0	113.2	K349 W358 M362 L363	K349-E360 WeakPolarHBondContact CE-OE1 3.48Å; K349-E360 IonicContact NZ-OE1 2.72Å; K349-E360 PolarHBondContact NZ-OE1 2.91Å; K349-E360 IonicContact NZ-OE2 2.77Å; W358-E360 PolarHBondContact NE1-OE1 3.03Å; E360-M362 PolarHBondContact O-N 2.98Å; E360-L363 WeakPolarHBondContact O-CB 3.38Å; E360-L363 PolarHBondContact O-N 3.5Å; E360-L363 VanDerWaalsContact O-N 3.1Å
361	A	82.6	Confident	79.5	Confident	67 Å²	67	62.2 Å²	62.2	55%	0.554	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-65.5	-12.2	170.2	0	0	0	0	0	114.1	A359 P364 W390	A359-A361 PolarHBondContact O-N 2.89Å; A361-P364 WeakPolarHBondContact O-CD 3.31Å; A361-W390 HydrophobicContact CB-CH2 3.75Å; A361-W390 HydrophobicContact CB-CZ2 4.07Å
362	M	84.5	Confident	80.3	Confident	4 Å²	4	60.3 Å²	60.3	2%	0.02	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-84.1	-12.9	172.6	-60.1	170.8	70.9	0	0	112.7	W358 A359 E360 P364 T365 W390 Y392	W358-M362 HydrophobicContact CE3-CB 4.11Å; W358-M362 HydrophobicContact CE3-SD 4.25Å; W358-M362 HydrophobicContact CH2-CB 3.72Å; W358-M362 HydrophobicContact CZ2-CB 4.33Å; W358-M362 HydrophobicContact CZ3-CB 3.59Å; A359-M362 HydrophobicContact CB-CG 4.31Å; A359-M362 HydrophobicContact CB-SD 4.3Å; A359-M362 WeakPolarHBondContact O-CB 3.29Å; A359-M362 WeakPolarHBondContact O-CG 3.46Å; A359-M362 PolarHBondContact O-N 3.06Å; E360-M362 PolarHBondContact O-N 2.98Å; M362-P364 VanDerWaalsContact C-N 3.31Å; M362-T365 WeakPolarHBondContact O-CB 3.34Å; M362-T365 WeakPolarHBondContact O-CG2 3.28Å; M362-T365 PolarHBondContact O-N 3.33Å; M362-T365 PolarHBondContact O-OG1 2.78Å; M362-W390 HydrophobicContact CE-CB 4.32Å; M362-W390 HydrophobicContact CE-CE3 4.43Å; M362-W390 HydrophobicContact CG-CD2 3.65Å; M362-W390 HydrophobicContact CG-CE3 3.38Å; M362-W390 HydrophobicContact CG-CG 4.35Å; M362-W390 HydrophobicContact CG-CH2 3.99Å; M362-W390 HydrophobicContact CG-CZ2 4.19Å; M362-W390 HydrophobicContact CG-CZ3 3.57Å; M362-W390 HydrophobicContact SD-CD2 4.45Å; M362-W390 HydrophobicContact SD-CE3 3.82Å; M362-W390 HydrophobicContact SD-CZ3 4.17Å; M362-Y392 HydrophobicContact CE-CD1 3.94Å; M362-Y392 HydrophobicContact CE-CE1 3.39Å
363	L	84.6	Confident	80.5	Confident	81 Å²	81	63.7 Å²	63.7	42%	0.424	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-52.9	-37.7	-178.7	-157	155.8	0	0	0	113.9	I345 W358 E360 T365 L366	I345-L363 HydrophobicContact CD1-CD1 3.75Å; I345-L363 HydrophobicContact CD1-CG 4.06Å; W358-L363 HydrophobicContact CH2-CB 4.34Å; W358-L363 HydrophobicContact CZ2-CB 4.1Å; E360-L363 WeakPolarHBondContact O-CB 3.38Å; E360-L363 PolarHBondContact O-N 3.5Å; E360-L363 VanDerWaalsContact O-N 3.1Å; L363-T365 PolarHBondContact O-N 2.74Å; L363-T365 VanDerWaalsContact O-N 3.14Å; L363-L366 PolarHBondContact O-N 3.11Å
364	P	85.5	Confident	81	Confident	84 Å²	84	60.2 Å²	60.2	55%	0.545	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-67.2	-7.2	174.7	-21.9	35.3	0	0	0	116.2	A361 M362 K368	A361-P364 WeakPolarHBondContact O-CD 3.31Å; M362-P364 VanDerWaalsContact C-N 3.31Å; P364-K368 WeakPolarHBondContact O-CE 3.44Å; P364-K368 WeakPolarHBondContact O-CG 3.35Å
365	T	86.9	Confident	82.1	Confident	3 Å²	3	59.5 Å²	59.5	2%	0.018	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-93.8	-15.3	-177.4	73.7	0	0	0	0	113.6	M362 L363 G367 K368 V385 Y392	M362-T365 WeakPolarHBondContact O-CB 3.34Å; M362-T365 WeakPolarHBondContact O-CG2 3.28Å; M362-T365 PolarHBondContact O-N 3.33Å; M362-T365 PolarHBondContact O-OG1 2.78Å; L363-T365 PolarHBondContact O-N 2.74Å; L363-T365 VanDerWaalsContact O-N 3.14Å; T365-G367 PolarHBondContact O-N 3.14Å; T365-K368 WeakPolarHBondContact O-CB 3.29Å; T365-K368 WeakPolarHBondContact O-CG 3.4Å; T365-K368 PolarHBondContact O-N 3.34Å; T365-V385 HydrophobicContact CG2-CG1 3.63Å; T365-V385 HydrophobicContact CG2-CG2 4.36Å; T365-Y392 WeakPolarHBondContact CB-OH 3.14Å; T365-Y392 WeakPolarHBondContact CG2-OH 3.48Å; T365-Y392 PolarHBondContact OG1-OH 3.45Å
366	L	86.5	Confident	82.3	Confident	32 Å²	32	60.1 Å²	60.1	17%	0.168	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	131.3	-177.4	-90.4	54.1	0	0	0	111.4	C342 I345 I348 W358 L363 K368	C342-L366 WeakPolarHBondContact O-CA 3.29Å; C342-L366 WeakPolarHBondContact O-CG 3.42Å; I345-L366 HydrophobicContact CB-CD2 3.73Å; I345-L366 HydrophobicContact CD1-CD2 4.31Å; I345-L366 HydrophobicContact CG1-CD2 3.94Å; I348-L366 HydrophobicContact CD1-CD1 4.24Å; I348-L366 HydrophobicContact CG2-CD1 4.04Å; I348-L366 HydrophobicContact CG2-CD2 4.35Å; I348-L366 HydrophobicContact CG2-CG 4.26Å; W358-L366 HydrophobicContact CH2-CD1 3.59Å; W358-L366 HydrophobicContact CZ3-CD1 3.84Å; L363-L366 PolarHBondContact O-N 3.11Å; L366-K368 PolarHBondContact O-N 2.85Å
367	G	77.9	Confident	81.6	Confident	22 Å²	22	63.6 Å²	63.6	23%	0.227	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.6	-2.7	-177.2	0	0	0	0	0	115.6	Q340 I341 C342 T365	Q340-G367 WeakPolarHBondContact CG-O 3.05Å; Q340-G367 PolarHBondContact NE2-O 2.85Å; I341-G367 WeakPolarHBondContact O-CA 3.18Å; I341-G367 PolarHBondContact O-N 2.85Å; I341-G367 VanDerWaalsContact O-N 3.08Å; C342-G367 PolarHBondContact O-N 2.96Å; T365-G367 PolarHBondContact O-N 3.14Å
368	K	86.8	Confident	80.6	Confident	107 Å²	107	63.3 Å²	63.3	47%	0.465	34%	0.344	S	S	.	.			trans	-76.5	158.6	178	-57.1	-64.7	-176.5	-179.3	0	111	Q340 I341 P364 T365 L366 V385	Q340-K368 WeakPolarHBondContact CA-O 3.29Å; I341-K368 PolarHBondContact N-O 2.65Å; P364-K368 WeakPolarHBondContact O-CE 3.44Å; P364-K368 WeakPolarHBondContact O-CG 3.35Å; T365-K368 WeakPolarHBondContact O-CB 3.29Å; T365-K368 WeakPolarHBondContact O-CG 3.4Å; T365-K368 PolarHBondContact O-N 3.34Å; L366-K368 PolarHBondContact O-N 2.85Å; K368-V385 HydrophobicContact CB-CG2 3.64Å; K368-V385 HydrophobicContact CG-CG2 4.39Å
369	V	87.5	Confident	79.8	Confident	77 Å²	77	65 Å²	65	47%	0.467	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	128.8	168.4	-176.1	0	0	0	0	108.7	L338 V339 I400	L338-V369 HydrophobicContact CB-CG1 4.31Å; L338-V369 HydrophobicContact CD2-CG1 4.39Å; V339-V369 WeakPolarHBondContact O-CA 3.4Å; V369-I400 HydrophobicContact CB-CD1 4.16Å; V369-I400 HydrophobicContact CG1-CD1 3.7Å; V369-I400 HydrophobicContact CG2-CD1 3.45Å; V369-I400 VanDerWaalsContact CG2-CD1 3.45Å
370	G	85.2	Confident	79.7	Confident	5 Å²	5	63.4 Å²	63.4	5%	0.052	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	178.2	170.1	0	0	0	0	0	111.8	L338 V339 E384	L338-G370 WeakPolarHBondContact CA-O 3.47Å; V339-G370 PolarHBondContact N-O 2.8Å; V339-G370 PolarHBondContact O-N 3.5Å; G370-E384 CarbonylContact C-O 3.56Å; G370-E384 WeakPolarHBondContact CA-O 3.34Å
371	R	89.9	Confident	79.7	Confident	140 Å²	140	58.3 Å²	58.3	53%	0.528	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	130.6	179.6	-167.3	179.7	-173.5	-155	-1.2	111.2	G336 D337 L338 Q373 V383 E384	G336-R371 PolarHBondContact O-NE 2.93Å; G336-R371 VanDerWaalsContact O-NE 3.1Å; D337-R371 CarbonylContact O-C 3.54Å; D337-R371 WeakPolarHBondContact O-CA 3.48Å; L338-R371 HydrophobicContact CD2-CB 4.09Å; L338-R371 HydrophobicContact CD2-CG 4.17Å; R371-Q373 PolarHBondContact O-N 3.45Å; R371-Q373 VanDerWaalsContact O-N 3.11Å; R371-V383 CarbonylContact O-C 3.59Å; R371-V383 WeakPolarHBondContact O-CA 3.37Å; R371-E384 PolarHBondContact N-O 3.4Å; R371-E384 PolarHBondContact O-N 3.01Å
372	V	90.6	Very high	80	Confident	1 Å²	1	57.6 Å²	57.6	1%	0.006	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	108.7	175.3	-178.4	0	0	0	0	108.9	G336 D337 V339 I375 L381 K382 V383	G336-V372 PolarHBondContact N-O 3.27Å; D337-V372 HydrophobicContact CB-CB 4.41Å; D337-V372 HydrophobicContact CB-CG2 4.1Å; D337-V372 PolarHBondContact O-N 3.41Å; V339-V372 HydrophobicContact CG1-CG2 3.76Å; V339-V372 HydrophobicContact CG2-CG2 4.09Å; V372-I375 HydrophobicContact CG1-CD1 4.41Å; V372-I375 HydrophobicContact CG1-CG1 3.84Å; V372-L381 HydrophobicContact CG1-CD2 4.24Å; V372-K382 CarbonylContact C-O 3.49Å; V372-V383 HydrophobicContact CG2-CG2 4.35Å
373	Q	84.1	Confident	80.4	Confident	71 Å²	71	57.4 Å²	57.4	33%	0.332	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	-36.9	173.1	-75.5	-165.7	-8	0	0	112.3	V335 R371 K382 E384 S389	V335-Q373 VanDerWaalsContact CG1-O 3.25Å; V335-Q373 WeakPolarHBondContact CG1-O 3.46Å; R371-Q373 PolarHBondContact O-N 3.45Å; R371-Q373 VanDerWaalsContact O-N 3.11Å; Q373-K382 HydrophobicContact CB-CD 4.25Å; Q373-K382 HydrophobicContact CB-CG 4.49Å; Q373-K382 PolarHBondContact N-O 3.36Å; Q373-K382 VanDerWaalsContact OE1-CE 3.31Å; Q373-E384 HydrophobicContact CG-CB 3.89Å; Q373-E384 PolarHBondContact NE2-OE2 2.84Å; Q373-S389 PolarHBondContact NE2-OG 3.49Å; Q373-S389 PolarHBondContact OE1-OG 3.38Å
374	Q	78.3	Confident	80.7	Confident	91 Å²	91	57.4 Å²	57.4	43%	0.425	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	149.6	-173	-173.5	174.4	-2.8	0	0	109.3	K382	Q374-K382 HydrophobicContact CB-CB 3.88Å; Q374-K382 HydrophobicContact CB-CD 4.1Å; Q374-K382 PolarHBondContact N-O 3.38Å; Q374-K382 PolarHBondContact O-N 2.86Å
375	I	81.8	Confident	80.8	Confident	53 Å²	53	53.6 Å²	53.6	27%	0.272	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	128.1	169.8	-53.5	-175	0	0	0	106.1	F333 V335 V372 D380 L381	F333-I375 VanDerWaalsContact C-CD1 3.5Å; F333-I375 HydrophobicContact CB-CD1 4.09Å; F333-I375 WeakPolarHBondContact O-CD1 3.42Å; V335-I375 HydrophobicContact CG2-CG1 4.24Å; V372-I375 HydrophobicContact CG1-CD1 4.41Å; V372-I375 HydrophobicContact CG1-CG1 3.84Å; I375-D380 CarbonylContact C-O 3.56Å; I375-D380 WeakPolarHBondContact CA-O 3.36Å; I375-L381 HydrophobicContact CB-CD2 4.32Å; I375-L381 HydrophobicContact CD1-CD2 4.02Å; I375-L381 HydrophobicContact CG1-CD2 3.71Å; I375-L381 HydrophobicContact CG2-CD2 4.06Å
376	Y	65.2	Low	80.5	Confident	77 Å²	77	57.7 Å²	57.7	30%	0.302	31%	0.308	S	S	.	.			trans	-85.5	165.8	-179.6	-68.2	-68.1	0	0	0	111.2	D378 S379 D380 K382 T391	Y376-D378 VanDerWaalsContact C-N 3.27Å; Y376-D378 WeakPolarHBondContact CB-OD1 3.24Å; Y376-D378 PolarHBondContact O-N 2.85Å; Y376-S379 VanDerWaalsContact O-CA 3.31Å; Y376-S379 WeakPolarHBondContact O-CA 3.46Å; Y376-S379 PolarHBondContact O-N 2.82Å; Y376-D380 HydrophobicContact CD2-CB 4.1Å; Y376-D380 WeakPolarHBondContact CD2-O 3.44Å; Y376-D380 PolarHBondContact N-O 3.42Å; Y376-K382 HydrophobicContact CE2-CB 3.72Å; Y376-K382 HydrophobicContact CE2-CG 4.46Å; Y376-T391 HydrophobicContact CD2-CG2 4.06Å; Y376-T391 HydrophobicContact CE2-CG2 3.88Å
377	S	48.1	Very low	80	Confident	133 Å²	133	59.3 Å²	59.3	93%	0.93	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-18.5	-175.3	44.4	0	0	0	0	114.5
378	D	55.5	Low	80.2	Confident	95 Å²	95	61.7 Å²	61.7	51%	0.508	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-2.5	166.9	43.3	40.7	0	0	0	112.6	Y376 D380	Y376-D378 VanDerWaalsContact C-N 3.27Å; Y376-D378 WeakPolarHBondContact CB-OD1 3.24Å; Y376-D378 PolarHBondContact O-N 2.85Å; D378-D380 WeakPolarHBondContact OD1-CB 3.42Å; D378-D380 PolarHBondContact OD1-N 2.96Å
379	S	66.4	Low	80.3	Confident	73 Å²	73	58.7 Å²	58.7	51%	0.51	34%	0.335	S	S	.	.	S	Bend	trans	81.2	-1.1	-171.5	-44.8	0	0	0	0	116.6	Y376 P394	Y376-S379 VanDerWaalsContact O-CA 3.31Å; Y376-S379 WeakPolarHBondContact O-CA 3.46Å; Y376-S379 PolarHBondContact O-N 2.82Å; S379-P394 WeakPolarHBondContact O-CG 3.24Å
380	D	80.9	Confident	80.4	Confident	6 Å²	6	58 Å²	58	3%	0.032	33%	0.325	C	S	.	.			trans	-65.2	150.7	-179.3	-82.8	-3.7	0	0	0	112.9	H355 I375 Y376 D378 T391 P394	H355-D380 VanDerWaalsContact CA-OD2 3.27Å; H355-D380 WeakPolarHBondContact CA-OD2 3.42Å; H355-D380 WeakPolarHBondContact CB-OD2 3.48Å; H355-D380 IonicContact CE1-OD1 2.82Å; H355-D380 IonicContact CG-OD1 2.71Å; H355-D380 IonicContact CG-OD2 3.89Å; H355-D380 VanDerWaalsContact ND1-CG 3.33Å; H355-D380 IonicContact ND1-OD1 2.65Å; H355-D380 PolarHBondContact ND1-OD1 3.03Å; H355-D380 IonicContact ND1-OD2 3.77Å; H355-D380 PolarHBondContact ND1-OD2 3.11Å; I375-D380 CarbonylContact C-O 3.56Å; I375-D380 WeakPolarHBondContact CA-O 3.36Å; Y376-D380 HydrophobicContact CD2-CB 4.1Å; Y376-D380 WeakPolarHBondContact CD2-O 3.44Å; Y376-D380 PolarHBondContact N-O 3.42Å; D378-D380 WeakPolarHBondContact OD1-CB 3.42Å; D378-D380 PolarHBondContact OD1-N 2.96Å; D380-T391 HydrophobicContact CB-CG2 3.73Å; D380-P394 WeakPolarHBondContact OD1-CD 3.18Å
381	L	85.1	Confident	80.6	Confident	2 Å²	2	59.7 Å²	59.7	1%	0.01	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	113.4	-172.6	-56.3	178.3	0	0	0	110.1	F333 V372 I375 V383 Y392 P394 V397	F333-L381 HydrophobicContact CB-CD1 4.31Å; F333-L381 HydrophobicContact CB-CD2 3.98Å; F333-L381 HydrophobicContact CD1-CD1 3.95Å; F333-L381 HydrophobicContact CD2-CD1 3.85Å; F333-L381 HydrophobicContact CD2-CD2 4.47Å; F333-L381 HydrophobicContact CE1-CD1 4.14Å; F333-L381 HydrophobicContact CE2-CD1 4.06Å; F333-L381 HydrophobicContact CG-CD1 3.78Å; F333-L381 HydrophobicContact CG-CD2 4.3Å; F333-L381 HydrophobicContact CZ-CD1 4.19Å; V372-L381 HydrophobicContact CG1-CD2 4.24Å; I375-L381 HydrophobicContact CB-CD2 4.32Å; I375-L381 HydrophobicContact CD1-CD2 4.02Å; I375-L381 HydrophobicContact CG1-CD2 3.71Å; I375-L381 HydrophobicContact CG2-CD2 4.06Å; L381-V383 HydrophobicContact CB-CG2 3.94Å; L381-V383 PolarHBondContact O-N 3.33Å; L381-Y392 PolarHBondContact N-O 3.02Å; L381-Y392 PolarHBondContact O-N 3.46Å; L381-P394 HydrophobicContact CD1-CB 4.31Å; L381-P394 HydrophobicContact CG-CG 4.26Å; L381-V397 HydrophobicContact CD1-CG2 3.51Å
382	K	89.3	Confident	80.4	Confident	52 Å²	52	53 Å²	53	23%	0.226	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	106.7	164.5	-168.8	-171.4	179.1	-160.8	0	108.2	V372 Q373 Q374 Y376 W390	V372-K382 CarbonylContact C-O 3.49Å; Q373-K382 HydrophobicContact CB-CD 4.25Å; Q373-K382 HydrophobicContact CB-CG 4.49Å; Q373-K382 PolarHBondContact N-O 3.36Å; Q373-K382 VanDerWaalsContact OE1-CE 3.31Å; Q374-K382 HydrophobicContact CB-CB 3.88Å; Q374-K382 HydrophobicContact CB-CD 4.1Å; Q374-K382 PolarHBondContact N-O 3.38Å; Q374-K382 PolarHBondContact O-N 2.86Å; Y376-K382 HydrophobicContact CE2-CB 3.72Å; Y376-K382 HydrophobicContact CE2-CG 4.46Å; K382-W390 CarbonylContact C-O 3.42Å; K382-W390 WeakPolarHBondContact CA-O 3.21Å
383	V	91.6	Very high	80	Confident	0 Å²	0	54 Å²	54	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	125.1	-179	-175.3	0	0	0	0	110	V339 I341 R371 V372 L381 W390 Y392	V339-V383 HydrophobicContact CG2-CB 4.45Å; V339-V383 HydrophobicContact CG2-CG1 3.7Å; V339-V383 HydrophobicContact CG2-CG2 3.81Å; I341-V383 HydrophobicContact CD1-CG1 4.33Å; R371-V383 CarbonylContact O-C 3.59Å; R371-V383 WeakPolarHBondContact O-CA 3.37Å; V372-V383 HydrophobicContact CG2-CG2 4.35Å; L381-V383 HydrophobicContact CB-CG2 3.94Å; L381-V383 PolarHBondContact O-N 3.33Å; V383-W390 PolarHBondContact N-O 3.07Å; V383-W390 PolarHBondContact O-N 3.06Å; V383-Y392 HydrophobicContact CB-CD2 3.67Å; V383-Y392 HydrophobicContact CB-CE2 3.86Å; V383-Y392 HydrophobicContact CG2-CD2 3.79Å; V383-Y392 HydrophobicContact CG2-CE2 4.46Å
384	E	91.3	Very high	80	Confident	82 Å²	82	52.2 Å²	52.2	38%	0.383	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	120.1	168.6	-179.6	176.8	-172.4	0	0	109.8	G370 R371 Q373	G370-E384 CarbonylContact C-O 3.56Å; G370-E384 WeakPolarHBondContact CA-O 3.34Å; R371-E384 PolarHBondContact N-O 3.4Å; R371-E384 PolarHBondContact O-N 3.01Å; Q373-E384 HydrophobicContact CG-CB 3.89Å; Q373-E384 PolarHBondContact NE2-OE2 2.84Å
385	V	87.9	Confident	80.1	Confident	4 Å²	4	50.7 Å²	50.7	2%	0.024	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	138.7	-177.3	56.1	0	0	0	0	109.7	I341 T365 K368 G387 T388 Y392	I341-V385 HydrophobicContact CD1-CB 3.72Å; I341-V385 HydrophobicContact CD1-CG1 3.73Å; I341-V385 HydrophobicContact CD1-CG2 3.62Å; T365-V385 HydrophobicContact CG2-CG1 3.63Å; T365-V385 HydrophobicContact CG2-CG2 4.36Å; K368-V385 HydrophobicContact CB-CG2 3.64Å; K368-V385 HydrophobicContact CG-CG2 4.39Å; V385-G387 PolarHBondContact O-N 2.93Å; V385-T388 PolarHBondContact N-O 2.89Å; V385-T388 PolarHBondContact O-N 3.02Å; V385-Y392 HydrophobicContact CG1-CE2 4.31Å
386	C	79.8	Confident	80.1	Confident	88 Å²	88	48.3 Å²	48.3	60%	0.595	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	28.8	-176.6	-61.8	0	0	0	0	114.1	T388	C386-T388 VanDerWaalsContact C-N 3.33Å; C386-T388 PolarHBondContact O-N 2.98Å
387	G	77	Confident	81	Confident	67 Å²	67	44.9 Å²	44.9	69%	0.691	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.1	7.9	-178.2	0	0	0	0	0	115.3	V385	V385-G387 PolarHBondContact O-N 2.93Å
388	T	81.3	Confident	82.7	Confident	71 Å²	71	43.3 Å²	43.3	44%	0.436	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	144.4	175.6	-55.1	0	0	0	0	110.1	V385 C386 W390	V385-T388 PolarHBondContact N-O 2.89Å; V385-T388 PolarHBondContact O-N 3.02Å; C386-T388 VanDerWaalsContact C-N 3.33Å; C386-T388 PolarHBondContact O-N 2.98Å; T388-W390 HydrophobicContact CG2-CZ2 4.17Å
389	S	89.9	Confident	84	Confident	45 Å²	45	43.4 Å²	43.4	32%	0.315	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	129.9	174.9	-64.6	0	0	0	0	111.2	Q373	Q373-S389 PolarHBondContact NE2-OG 3.49Å; Q373-S389 PolarHBondContact OE1-OG 3.38Å
390	W	89.6	Confident	84.7	Confident	63 Å²	63	42.5 Å²	42.5	24%	0.239	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	149	178.5	-65	97.3	0	0	0	110.3	A359 A361 M362 K382 V383 T388 Y392	A359-W390 HydrophobicContact CB-CZ3 4.24Å; A361-W390 HydrophobicContact CB-CH2 3.75Å; A361-W390 HydrophobicContact CB-CZ2 4.07Å; M362-W390 HydrophobicContact CE-CB 4.32Å; M362-W390 HydrophobicContact CE-CE3 4.43Å; M362-W390 HydrophobicContact CG-CD2 3.65Å; M362-W390 HydrophobicContact CG-CE3 3.38Å; M362-W390 HydrophobicContact CG-CG 4.35Å; M362-W390 HydrophobicContact CG-CH2 3.99Å; M362-W390 HydrophobicContact CG-CZ2 4.19Å; M362-W390 HydrophobicContact CG-CZ3 3.57Å; M362-W390 HydrophobicContact SD-CD2 4.45Å; M362-W390 HydrophobicContact SD-CE3 3.82Å; M362-W390 HydrophobicContact SD-CZ3 4.17Å; K382-W390 CarbonylContact C-O 3.42Å; K382-W390 WeakPolarHBondContact CA-O 3.21Å; V383-W390 PolarHBondContact N-O 3.07Å; V383-W390 PolarHBondContact O-N 3.06Å; T388-W390 HydrophobicContact CG2-CZ2 4.17Å; W390-Y392 HydrophobicContact CB-CD2 4.31Å; W390-Y392 HydrophobicContact CB-CE2 3.51Å
391	T	88.3	Confident	83.6	Confident	39 Å²	39	45.7 Å²	45.7	24%	0.239	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	129.3	173.7	-56.1	0	0	0	0	109.5	Q352 Y376 D380	Q352-T391 PolarHBondContact NE2-O 3.01Å; Y376-T391 HydrophobicContact CD2-CG2 4.06Å; Y376-T391 HydrophobicContact CE2-CG2 3.88Å; D380-T391 HydrophobicContact CB-CG2 3.73Å
392	Y	86.1	Confident	81.5	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	142	175.8	-63.1	-87	0	0	0	112.1	I341 I348 Q352 M362 T365 L381 V383 V385 W390 V397	I341-Y392 HydrophobicContact CD1-CE2 4.15Å; I341-Y392 HydrophobicContact CG1-CE1 4.21Å; I341-Y392 HydrophobicContact CG1-CE2 4.15Å; I341-Y392 HydrophobicContact CG2-CD1 4.27Å; I341-Y392 HydrophobicContact CG2-CE1 3.74Å; I348-Y392 HydrophobicContact CD1-CD1 4.17Å; I348-Y392 HydrophobicContact CD1-CE1 4.06Å; Q352-Y392 VanDerWaalsContact OE1-CA 3.3Å; M362-Y392 HydrophobicContact CE-CD1 3.94Å; M362-Y392 HydrophobicContact CE-CE1 3.39Å; T365-Y392 WeakPolarHBondContact CB-OH 3.14Å; T365-Y392 WeakPolarHBondContact CG2-OH 3.48Å; T365-Y392 PolarHBondContact OG1-OH 3.45Å; L381-Y392 PolarHBondContact N-O 3.02Å; L381-Y392 PolarHBondContact O-N 3.46Å; V383-Y392 HydrophobicContact CB-CD2 3.67Å; V383-Y392 HydrophobicContact CB-CE2 3.86Å; V383-Y392 HydrophobicContact CG2-CD2 3.79Å; V383-Y392 HydrophobicContact CG2-CE2 4.46Å; V385-Y392 HydrophobicContact CG1-CE2 4.31Å; W390-Y392 HydrophobicContact CB-CD2 4.31Å; W390-Y392 HydrophobicContact CB-CE2 3.51Å; Y392-V397 HydrophobicContact CD1-CG1 4.44Å; Y392-V397 HydrophobicContact CD2-CG1 4.44Å; Y392-V397 HydrophobicContact CG-CG1 3.99Å
393	N	83.1	Confident	79	Confident	22 Å²	22	54.4 Å²	54.4	12%	0.118	35%	0.348	C	S	.	.			trans	-55	136.3	163.1	-175	-49.6	0	0	0	110.1	L351 H355 A395 A396	L351-N393 HydrophobicContact CB-CB 4.42Å; L351-N393 WeakPolarHBondContact O-CB 3.5Å; L351-N393 PolarHBondContact O-ND2 3.11Å; H355-N393 HydrophobicContact CB-CB 3.94Å; H355-N393 PolarHBondContact CD2-ND2 3.2Å; N393-A395 PolarHBondContact O-N 3.15Å; N393-A395 VanDerWaalsContact O-N 3.09Å; N393-A395 WeakPolarHBondContact OD1-CB 3.35Å; N393-A395 PolarHBondContact OD1-N 2.74Å; N393-A396 HydrophobicContact CB-CB 4.16Å; N393-A396 WeakPolarHBondContact O-CA 3.39Å; N393-A396 WeakPolarHBondContact O-CB 3.26Å; N393-A396 PolarHBondContact O-N 2.99Å
394	P	83.4	Confident	76.1	Confident	34 Å²	34	57.9 Å²	57.9	22%	0.221	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-56.2	-27.2	178.3	-28.2	36.8	0	0	0	114.8	F333 S379 D380 L381	F333-P394 HydrophobicContact CD2-CB 4.41Å; F333-P394 HydrophobicContact CE2-CB 3.96Å; S379-P394 WeakPolarHBondContact O-CG 3.24Å; D380-P394 WeakPolarHBondContact OD1-CD 3.18Å; L381-P394 HydrophobicContact CD1-CB 4.31Å; L381-P394 HydrophobicContact CG-CG 4.26Å
395	A	80.2	Confident	73.2	Confident	59 Å²	59	59.8 Å²	59.8	49%	0.488	41%	0.406	S	S	.	.	G	3₁₀ helix	trans	-81.8	-11.4	176	0	0	0	0	0	113.8	L351 N393 V397	L351-A395 HydrophobicContact CD1-CB 4.44Å; L351-A395 HydrophobicContact CD2-CB 4.17Å; N393-A395 PolarHBondContact O-N 3.15Å; N393-A395 VanDerWaalsContact O-N 3.09Å; N393-A395 WeakPolarHBondContact OD1-CB 3.35Å; N393-A395 PolarHBondContact OD1-N 2.74Å; A395-V397 VanDerWaalsContact C-N 3.35Å
396	A	82.5	Confident	70.4	Confident	2 Å²	2	64.1 Å²	64.1	2%	0.017	44%	0.442	C	S	.	.	G	3₁₀ helix	trans	-85.8	-4.4	174.6	0	0	0	0	0	113.2	C342 I348 L351 N393	C342-A396 WeakPolarHBondContact CB-O 3.35Å; C342-A396 PolarHBondContact N-O 3.08Å; I348-A396 HydrophobicContact CD1-CB 4.39Å; I348-A396 HydrophobicContact CG1-CB 4.13Å; L351-A396 HydrophobicContact CB-CB 4.24Å; L351-A396 HydrophobicContact CD1-CB 4.21Å; N393-A396 HydrophobicContact CB-CB 4.16Å; N393-A396 WeakPolarHBondContact O-CA 3.39Å; N393-A396 WeakPolarHBondContact O-CB 3.26Å; N393-A396 PolarHBondContact O-N 2.99Å
397	V	83.6	Confident	68.1	Low	6 Å²	6	66.4 Å²	66.4	4%	0.036	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	154.7	177.8	-48.6	0	0	0	0	112.1	F333 V339 Q340 I341 L381 Y392 A395	F333-V397 HydrophobicContact CE1-CG2 4.09Å; F333-V397 HydrophobicContact CZ-CG2 4.17Å; V339-V397 HydrophobicContact CB-CB 3.99Å; V339-V397 HydrophobicContact CB-CG2 3.93Å; V339-V397 HydrophobicContact CG1-CG2 4.13Å; V339-V397 HydrophobicContact CG2-CB 4.04Å; V339-V397 HydrophobicContact CG2-CG1 4.4Å; V339-V397 HydrophobicContact CG2-CG2 4.03Å; Q340-V397 CarbonylContact O-C 3.37Å; Q340-V397 VanDerWaalsContact O-CA 3.23Å; Q340-V397 WeakPolarHBondContact O-CA 3.21Å; I341-V397 HydrophobicContact CB-CG1 4.48Å; I341-V397 HydrophobicContact CG1-CG1 3.83Å; L381-V397 HydrophobicContact CD1-CG2 3.51Å; Y392-V397 HydrophobicContact CD1-CG1 4.44Å; Y392-V397 HydrophobicContact CD2-CG1 4.44Å; Y392-V397 HydrophobicContact CG-CG1 3.99Å; A395-V397 VanDerWaalsContact C-N 3.35Å
398	T	84.3	Confident	65.8	Low	99 Å²	99	68.9 Å²	68.9	61%	0.607	46%	0.46	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.3	125.4	-179.1	-62.5	0	0	0	0	110.7	V339 Q340 I400	V339-T398 CarbonylContact C-O 3.44Å; V339-T398 VanDerWaalsContact CA-O 3.29Å; V339-T398 WeakPolarHBondContact CA-O 3.41Å; Q340-T398 PolarHBondContact N-O 3.05Å; Q340-T398 PolarHBondContact O-N 3.49Å; T398-I400 PolarHBondContact O-N 3.35Å
399	K	82.6	Confident	63.6	Low	98 Å²	98	73.6 Å²	73.6	43%	0.426	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	126.8	-178.4	-176	167.4	176.9	158.7	0	112.1	F333 D337	F333-K399 HydrophobicContact CD1-CB 4.28Å; F333-K399 HydrophobicContact CE1-CB 3.92Å; D337-K399 WeakPolarHBondContact OD1-CE 3.31Å; D337-K399 IonicContact OD1-NZ 2.66Å; D337-K399 PolarHBondContact OD1-NZ 3.28Å; D337-K399 WeakPolarHBondContact OD2-CD 3.15Å; D337-K399 VanDerWaalsContact OD2-CE 3.27Å; D337-K399 WeakPolarHBondContact OD2-CE 3.23Å; D337-K399 IonicContact OD2-NZ 3.14Å; D337-K399 PolarHBondContact OD2-NZ 2.79Å
400	I	82	Confident	60.9	Low	54 Å²	54	75.4 Å²	75.4	28%	0.277	50%	0.5	S	S	.	.	P	Polyproline II helix	trans	-95.1	129.8	174.5	-68.2	163.3	0	0	0	108.9	L338 Q340 V369 T398	L338-I400 HydrophobicContact CB-CB 4.37Å; L338-I400 PolarHBondContact O-N 2.84Å; Q340-I400 HydrophobicContact CB-CD1 3.79Å; Q340-I400 HydrophobicContact CB-CG1 4.29Å; V369-I400 HydrophobicContact CB-CD1 4.16Å; V369-I400 HydrophobicContact CG1-CD1 3.7Å; V369-I400 HydrophobicContact CG2-CD1 3.45Å; V369-I400 VanDerWaalsContact CG2-CD1 3.45Å; T398-I400 PolarHBondContact O-N 3.35Å
401	A	55.9	Low	58.4	Low	73 Å²	73	76.8 Å²	76.8	60%	0.603	52%	0.52	S	S	*	.	P	Polyproline II helix	trans	-72.6	137.2	171.3	0	0	0	0	0	110.6	S403	A401-S403 PolarHBondContact O-N 3.32Å
402	P	41.6	Very low	56.2	Low	128 Å²	128	77.7 Å²	77.7	83%	0.831	54%	0.537	S	S	*	.			trans	-74.7	95.8	-179.4	30	-34.6	0	0	0	111.4
403	S	36.3	Very low	53.9	Low	108 Å²	108	84.6 Å²	84.6	76%	0.755	57%	0.569	S	S	*	*			trans	-129.6	120.6	168.1	58.1	0	0	0	0	109.4	A401	A401-S403 PolarHBondContact O-N 3.32Å
404	G	32.2	Very low	51.9	Low	74 Å²	74	92.3 Å²	92.3	76%	0.763	60%	0.596	S	S	*	*			trans	-78.5	171	-175.3	0	0	0	0	0	115
405	S	29	Very low	50	Low	122 Å²	122	96.1 Å²	96.1	85%	0.853	61%	0.614	S	S	*	*			trans	69.1	77.2	156.7	-54.6	0	0	0	0	118.8
406	A	29.8	Very low	48.4	Very low	94 Å²	94	96.7 Å²	96.7	78%	0.777	62%	0.615	S	S	*	*			trans	52.9	113	130.3	0	0	0	0	0	122.4
407	V	31.9	Very low	46.5	Very low	137 Å²	137	102.4 Å²	102.4	83%	0.83	64%	0.641	S	S	*	*				52.7	111.5	129.7	-170.7	0	0	0	0	120.1
408	S	27.7	Very low	44.5	Very low	118 Å²	118	107 Å²	107	83%	0.825	67%	0.665	S	S	*	*				-171.5	163.7	119.3	37.8	0	0	0	0	112
409	N	35.7	Very low	42.8	Very low	170 Å²	170	106.4 Å²	106.4	91%	0.909	66%	0.658	S	S	*	*			trans	-87.7	113	-166.3	-64.8	-24	0	0	0	113.6
410	A	32.9	Very low	40.8	Very low	83 Å²	83	108.5 Å²	108.5	69%	0.686	67%	0.667	S	S	*	*			trans	-168.5	94.4	155.2	0	0	0	0	0	111.5
411	S	37.6	Very low	38.7	Very low	93 Å²	93	113.6 Å²	113.6	65%	0.65	69%	0.687	S	S	*	*			trans	-140.5	-17.5	-179.3	58.1	0	0	0	0	116.6	E413 R414 L415	S411-E413 PolarHBondContact O-N 2.84Å; S411-R414 PolarHBondContact O-N 3.24Å; S411-L415 PolarHBondContact O-N 2.87Å
412	G	40.8	Very low	38	Very low	58 Å²	58	116.5 Å²	116.5	60%	0.598	69%	0.691	S	S	*	*	H	α-helix	trans	-60.3	-44.2	176.1	0	0	0	0	0	113	R414 L415 S416	G412-R414 VanDerWaalsContact C-N 3.33Å; G412-R414 PolarHBondContact O-N 3.38Å; G412-L415 PolarHBondContact O-N 2.97Å; G412-S416 PolarHBondContact O-N 3.49Å; G412-S416 VanDerWaalsContact O-N 3.1Å; G412-S416 PolarHBondContact O-OG 3.14Å
413	E	39.4	Very low	37.7	Very low	145 Å²	145	118.7 Å²	118.7	68%	0.678	69%	0.688	S	S	*	*	H	α-helix	trans	-66.3	-33.1	175.9	-61.3	-179.7	131.8	0	0	112.7	S411 S416 Q417	S411-E413 PolarHBondContact O-N 2.84Å; E413-S416 WeakPolarHBondContact CA-OG 3.31Å; E413-S416 PolarHBondContact O-OG 3.23Å; E413-S416 VanDerWaalsContact O-OG 3.06Å; E413-Q417 WeakPolarHBondContact O-CB 3.49Å; E413-Q417 WeakPolarHBondContact O-CG 3.42Å; E413-Q417 PolarHBondContact O-N 3.02Å
414	R	40.9	Very low	37.6	Very low	184 Å²	184	116.9 Å²	116.9	69%	0.694	67%	0.668	S	S	*	*	H	α-helix	trans	-70.4	-37.1	174.6	-101.4	-173.9	174.4	-167.3	-0.3	112	S411 G412 L418	S411-R414 PolarHBondContact O-N 3.24Å; G412-R414 VanDerWaalsContact C-N 3.33Å; G412-R414 PolarHBondContact O-N 3.38Å; R414-L418 WeakPolarHBondContact O-CB 3.42Å; R414-L418 VanDerWaalsContact O-CD1 3.27Å; R414-L418 WeakPolarHBondContact O-CD1 3.43Å; R414-L418 PolarHBondContact O-N 3.16Å
415	L	43.8	Very low	38	Very low	113 Å²	113	118.6 Å²	118.6	59%	0.592	66%	0.664	S	S	*	*	H	α-helix	trans	-70.2	-40.1	178.3	-164.9	70.3	0	0	0	111.4	S411 G412 L418 L419	S411-L415 PolarHBondContact O-N 2.87Å; G412-L415 PolarHBondContact O-N 2.97Å; L415-L418 PolarHBondContact O-N 3.39Å; L415-L419 HydrophobicContact CG-CD1 4.13Å; L415-L419 WeakPolarHBondContact O-CB 3.43Å; L415-L419 VanDerWaalsContact O-CG 3.29Å; L415-L419 WeakPolarHBondContact O-CG 3.37Å; L415-L419 PolarHBondContact O-N 2.79Å
416	S	45.5	Very low	38.4	Very low	72 Å²	72	121.4 Å²	121.4	50%	0.503	66%	0.663	S	S	.	*	H	α-helix	trans	-66.3	-39.1	173.8	53.8	0	0	0	0	112.4	G412 E413 L419 K420	G412-S416 PolarHBondContact O-N 3.49Å; G412-S416 VanDerWaalsContact O-N 3.1Å; G412-S416 PolarHBondContact O-OG 3.14Å; E413-S416 WeakPolarHBondContact CA-OG 3.31Å; E413-S416 PolarHBondContact O-OG 3.23Å; E413-S416 VanDerWaalsContact O-OG 3.06Å; S416-L419 PolarHBondContact O-N 3.13Å; S416-K420 PolarHBondContact O-N 3.13Å
417	Q	43.6	Very low	38.8	Very low	122 Å²	122	124.1 Å²	124.1	57%	0.57	66%	0.66	S	S	*	*	H	α-helix	trans	-66.4	-36.6	172.3	-72.7	173.1	11.6	0	0	113.5	E413 K421	E413-Q417 WeakPolarHBondContact O-CB 3.49Å; E413-Q417 WeakPolarHBondContact O-CG 3.42Å; E413-Q417 PolarHBondContact O-N 3.02Å; Q417-K421 PolarHBondContact O-N 3.38Å; Q417-K421 VanDerWaalsContact O-N 3.08Å
418	L	42.2	Very low	39.5	Very low	101 Å²	101	119.4 Å²	119.4	53%	0.529	63%	0.633	S	S	.	*	H	α-helix	trans	-72.4	-36.2	174.7	-99.7	77.3	0	0	0	112.6	R414 L415 K421 L422	R414-L418 WeakPolarHBondContact O-CB 3.42Å; R414-L418 VanDerWaalsContact O-CD1 3.27Å; R414-L418 WeakPolarHBondContact O-CD1 3.43Å; R414-L418 PolarHBondContact O-N 3.16Å; L415-L418 PolarHBondContact O-N 3.39Å; L418-K421 CarbonylContact O-C 3.6Å; L418-K421 PolarHBondContact O-N 3.1Å; L418-L422 WeakPolarHBondContact O-CB 3.39Å; L418-L422 WeakPolarHBondContact O-CG 3.37Å; L418-L422 PolarHBondContact O-N 3.47Å
419	L	47.3	Very low	41.1	Very low	88 Å²	88	117.8 Å²	117.8	46%	0.461	64%	0.635	S	S	.	*	H	α-helix	trans	-67	-39.6	175	-76.5	167	0	0	0	111	L415 S416 L422 F423	L415-L419 HydrophobicContact CG-CD1 4.13Å; L415-L419 WeakPolarHBondContact O-CB 3.43Å; L415-L419 VanDerWaalsContact O-CG 3.29Å; L415-L419 WeakPolarHBondContact O-CG 3.37Å; L415-L419 PolarHBondContact O-N 2.79Å; S416-L419 PolarHBondContact O-N 3.13Å; L419-L422 PolarHBondContact O-N 3.47Å; L419-F423 PolarHBondContact O-N 2.85Å; L419-F423 VanDerWaalsContact O-N 3.11Å
420	K	40.8	Very low	43.2	Very low	142 Å²	142	113 Å²	113	62%	0.617	61%	0.61	S	S	*	*	H	α-helix	trans	-54.2	-55	167.5	-115.1	-167.8	169.2	-145.9	0	110.9	S416 L422 F423 E424	S416-K420 PolarHBondContact O-N 3.13Å; K420-L422 PolarHBondContact O-N 3.24Å; K420-F423 PolarHBondContact O-N 2.76Å; K420-E424 VanDerWaalsContact C-CD 3.45Å; K420-E424 VanDerWaalsContact CB-OE1 3.28Å; K420-E424 WeakPolarHBondContact CB-OE1 3.49Å; K420-E424 WeakPolarHBondContact CD-OE1 3.45Å; K420-E424 VanDerWaalsContact CG-OE1 3.28Å; K420-E424 WeakPolarHBondContact CG-OE1 3.39Å; K420-E424 WeakPolarHBondContact O-CB 3.35Å; K420-E424 VanDerWaalsContact O-CG 3.23Å; K420-E424 WeakPolarHBondContact O-CG 3.34Å; K420-E424 PolarHBondContact O-N 3.27Å
421	K	38.7	Very low	45.7	Very low	160 Å²	160	110.6 Å²	110.6	70%	0.696	59%	0.585	S	S	*	*	H	α-helix	trans	-65.6	-3.2	177.5	-74.2	-173.4	173.4	-172.2	0	116.6	Q417 L418 E424	Q417-K421 PolarHBondContact O-N 3.38Å; Q417-K421 VanDerWaalsContact O-N 3.08Å; L418-K421 CarbonylContact O-C 3.6Å; L418-K421 PolarHBondContact O-N 3.1Å; K421-E424 WeakPolarHBondContact CA-OE2 3.43Å; K421-E424 VanDerWaalsContact CG-OE2 3.32Å; K421-E424 WeakPolarHBondContact CG-OE2 3.35Å
422	L	40.3	Very low	48	Very low	134 Å²	134	107.9 Å²	107.9	70%	0.702	56%	0.563	S	S	*	*	H	α-helix	trans	-106.1	-18.4	173.2	-79.6	165.6	0	0	0	113.2	L418 L419 K420	L418-L422 WeakPolarHBondContact O-CB 3.39Å; L418-L422 WeakPolarHBondContact O-CG 3.37Å; L418-L422 PolarHBondContact O-N 3.47Å; L419-L422 PolarHBondContact O-N 3.47Å; K420-L422 PolarHBondContact O-N 3.24Å
423	F	36	Very low	50.3	Low	174 Å²	174	108 Å²	108	76%	0.763	55%	0.548	S	S	*	.	H	α-helix	trans	-100.5	-16.5	169.5	-81.8	-82.8	0	0	0	113.3	L419 K420 T425	L419-F423 PolarHBondContact O-N 2.85Å; L419-F423 VanDerWaalsContact O-N 3.11Å; K420-F423 PolarHBondContact O-N 2.76Å; F423-T425 PolarHBondContact O-N 2.66Å
424	E	33.8	Very low	52.7	Low	71 Å²	71	102.9 Å²	102.9	33%	0.332	52%	0.524	S	S	.	.			trans	-67.6	73.7	165.3	-74.2	155.6	-164.1	0	0	110	K420 K421 Q426	K420-E424 VanDerWaalsContact C-CD 3.45Å; K420-E424 VanDerWaalsContact CB-OE1 3.28Å; K420-E424 WeakPolarHBondContact CB-OE1 3.49Å; K420-E424 WeakPolarHBondContact CD-OE1 3.45Å; K420-E424 VanDerWaalsContact CG-OE1 3.28Å; K420-E424 WeakPolarHBondContact CG-OE1 3.39Å; K420-E424 WeakPolarHBondContact O-CB 3.35Å; K420-E424 VanDerWaalsContact O-CG 3.23Å; K420-E424 WeakPolarHBondContact O-CG 3.34Å; K420-E424 PolarHBondContact O-N 3.27Å; K421-E424 WeakPolarHBondContact CA-OE2 3.43Å; K421-E424 VanDerWaalsContact CG-OE2 3.32Å; K421-E424 WeakPolarHBondContact CG-OE2 3.35Å; E424-Q426 PolarHBondContact O-N 2.54Å
425	T	40.3	Very low	55.2	Low	109 Å²	109	94.1 Å²	94.1	67%	0.669	49%	0.491	S	S	*	.			trans	-50.9	127.2	149.6	50	0	0	0	0	107	F423 E427	F423-T425 PolarHBondContact O-N 2.66Å; T425-E427 PolarHBondContact O-N 3.18Å
426	Q	38.5	Very low	57.5	Low	182 Å²	182	89.4 Å²	89.4	85%	0.85	47%	0.467	S	S	*	.			trans	-32.4	123	-167.7	-65.6	-177.6	-20.9	0	0	113.4	E424 S428	E424-Q426 PolarHBondContact O-N 2.54Å; Q426-S428 VanDerWaalsContact C-N 3.27Å; Q426-S428 PolarHBondContact O-N 3.48Å
427	E	37.3	Very low	59.6	Low	151 Å²	151	89.3 Å²	89.3	71%	0.706	46%	0.457	S	S	*	.			trans	-63.8	90.8	174.6	-70.9	-176.3	152.4	0	0	109.6	T425 G429	T425-E427 PolarHBondContact O-N 3.18Å; E427-G429 PolarHBondContact O-N 3Å; E427-G429 VanDerWaalsContact O-N 3.15Å
428	S	47	Very low	62	Low	37 Å²	37	83.7 Å²	83.7	26%	0.259	43%	0.431	S	S	.	.			trans	-48.5	110.9	147.7	47.9	0	0	0	0	107.4	Q426 D430 E433 K437	Q426-S428 VanDerWaalsContact C-N 3.27Å; Q426-S428 PolarHBondContact O-N 3.48Å; S428-D430 PolarHBondContact O-N 2.84Å; S428-E433 VanDerWaalsContact CB-CD 3.44Å; S428-E433 WeakPolarHBondContact CB-OE2 3.48Å; S428-E433 VanDerWaalsContact OG-CD 3.29Å; S428-E433 WeakPolarHBondContact OG-CG 3.46Å; S428-E433 PolarHBondContact OG-OE2 3.11Å; S428-K437 PolarHBondContact OG-NZ 2.77Å
429	G	61.7	Low	64.5	Low	85 Å²	85	78.9 Å²	78.9	88%	0.876	41%	0.406	S	S	*	.	S	Bend	trans	-67.8	18.7	176.3	0	0	0	0	0	114.5	E427	E427-G429 PolarHBondContact O-N 3Å; E427-G429 VanDerWaalsContact O-N 3.15Å
430	D	80.2	Confident	66.6	Low	70 Å²	70	76 Å²	76	37%	0.374	40%	0.396	S	S	.	.			trans	-98	112.4	173.1	-175	-14.9	0	0	0	108.4	S428 N432 E433 E434	S428-D430 PolarHBondContact O-N 2.84Å; D430-N432 PolarHBondContact O-N 3.24Å; D430-N432 VanDerWaalsContact OD1-CB 3.27Å; D430-N432 WeakPolarHBondContact OD1-CB 3.49Å; D430-N432 PolarHBondContact OD1-N 3.08Å; D430-N432 PolarHBondContact OD1-ND2 3.46Å; D430-E433 HydrophobicContact CB-CB 4.1Å; D430-E433 PolarHBondContact O-N 2.72Å; D430-E434 PolarHBondContact O-N 2.94Å; D430-E434 VanDerWaalsContact O-N 3.09Å
431	I	84.7	Confident	69	Low	31 Å²	31	75.4 Å²	75.4	16%	0.159	40%	0.399	C	S	.	.	H	α-helix	trans	-64.6	-26.1	-178.3	-60.9	175.1	0	0	0	110.9	E434 L435 I450 D455 V456	I431-E434 PolarHBondContact O-N 2.99Å; I431-L435 WeakPolarHBondContact O-CB 3.47Å; I431-L435 PolarHBondContact O-N 2.85Å; I431-I450 HydrophobicContact CG2-CG2 3.59Å; I431-D455 HydrophobicContact CD1-CB 4.39Å; I431-D455 WeakPolarHBondContact CD1-OD1 3.48Å; I431-D455 VanDerWaalsContact CD1-OD2 3.28Å; I431-D455 WeakPolarHBondContact CD1-OD2 3.19Å; I431-V456 HydrophobicContact CG2-CB 4.18Å; I431-V456 HydrophobicContact CG2-CG2 4.11Å
432	N	85.9	Confident	71.5	Confident	36 Å²	36	69 Å²	69	19%	0.193	38%	0.379	C	S	.	.	H	α-helix	trans	-74.1	-37.9	177.2	-47.4	-69.6	0	0	0	110.8	D430 E434 L435 V436 D457	D430-N432 PolarHBondContact O-N 3.24Å; D430-N432 VanDerWaalsContact OD1-CB 3.27Å; D430-N432 WeakPolarHBondContact OD1-CB 3.49Å; D430-N432 PolarHBondContact OD1-N 3.08Å; D430-N432 PolarHBondContact OD1-ND2 3.46Å; N432-E434 VanDerWaalsContact C-N 3.32Å; N432-L435 PolarHBondContact O-N 2.97Å; N432-V436 WeakPolarHBondContact O-CB 3.38Å; N432-V436 VanDerWaalsContact O-CG2 3.23Å; N432-V436 WeakPolarHBondContact O-CG2 3.36Å; N432-V436 PolarHBondContact O-N 3.25Å; N432-D457 PolarHBondContact OD1-O 2.86Å
433	E	88.6	Confident	74.1	Confident	62 Å²	62	66.1 Å²	66.1	29%	0.29	36%	0.364	S	S	.	.	H	α-helix	trans	-65	-36.3	170.4	179.8	168.8	179.6	0	0	111.3	S428 D430 K437 C462	S428-E433 VanDerWaalsContact CB-CD 3.44Å; S428-E433 WeakPolarHBondContact CB-OE2 3.48Å; S428-E433 VanDerWaalsContact OG-CD 3.29Å; S428-E433 WeakPolarHBondContact OG-CG 3.46Å; S428-E433 PolarHBondContact OG-OE2 3.11Å; D430-E433 HydrophobicContact CB-CB 4.1Å; D430-E433 PolarHBondContact O-N 2.72Å; E433-K437 VanDerWaalsContact CD-NZ 3.25Å; E433-K437 HydrophobicContact CG-CD 4.1Å; E433-K437 VanDerWaalsContact CG-NZ 3.29Å; E433-K437 WeakPolarHBondContact O-CB 3.24Å; E433-K437 WeakPolarHBondContact O-CD 3.22Å; E433-K437 WeakPolarHBondContact O-CG 3.33Å; E433-K437 PolarHBondContact O-N 3.3Å; E433-K437 WeakPolarHBondContact OE1-CE 3.3Å; E433-K437 IonicContact OE1-NZ 3.95Å; E433-K437 PolarHBondContact OE1-NZ 3.24Å; E433-C462 HydrophobicContact CB-CB 4.38Å
434	E	91	Very high	76.8	Confident	37 Å²	37	61.1 Å²	61.1	17%	0.173	35%	0.345	C	S	.	.	H	α-helix	trans	-65.5	-46	172.7	-158.9	-174.6	-165.8	0	0	112.4	D430 I431 N432 K437 A438 K446 I450 R453	D430-E434 PolarHBondContact O-N 2.94Å; D430-E434 VanDerWaalsContact O-N 3.09Å; I431-E434 PolarHBondContact O-N 2.99Å; N432-E434 VanDerWaalsContact C-N 3.32Å; E434-K437 PolarHBondContact O-N 2.88Å; E434-A438 WeakPolarHBondContact O-CB 3.26Å; E434-A438 PolarHBondContact O-N 3.17Å; E434-K446 WeakPolarHBondContact OE1-CE 3.44Å; E434-K446 IonicContact OE1-NZ 2.72Å; E434-K446 PolarHBondContact OE1-NZ 2.92Å; E434-I450 HydrophobicContact CB-CD1 4.14Å; E434-I450 HydrophobicContact CG-CD1 3.7Å; E434-R453 IonicContact OE2-CZ 3.84Å; E434-R453 IonicContact OE2-NH1 3.52Å; E434-R453 PolarHBondContact OE2-NH1 2.94Å; E434-R453 IonicContact OE2-NH2 3.03Å
435	L	92.2	Very high	79.6	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-63.4	-48	179.9	-176.6	66.9	0	0	0	111.9	I431 N432 K437 A438 A439 V447 I450 L451 V456 A467	I431-L435 WeakPolarHBondContact O-CB 3.47Å; I431-L435 PolarHBondContact O-N 2.85Å; N432-L435 PolarHBondContact O-N 2.97Å; L435-K437 PolarHBondContact O-N 2.92Å; L435-A438 PolarHBondContact O-N 3.21Å; L435-A439 WeakPolarHBondContact O-CB 3.32Å; L435-A439 PolarHBondContact O-N 2.77Å; L435-V447 HydrophobicContact CD1-CG1 4.05Å; L435-V447 HydrophobicContact CD1-CG2 4.48Å; L435-I450 HydrophobicContact CB-CG2 4.06Å; L435-I450 HydrophobicContact CD1-CB 4.21Å; L435-I450 HydrophobicContact CD1-CG2 3.94Å; L435-L451 HydrophobicContact CD1-CD2 4.08Å; L435-L451 HydrophobicContact CD1-CG 4.24Å; L435-L451 HydrophobicContact CD2-CD2 4.32Å; L435-V456 HydrophobicContact CD2-CG2 3.91Å; L435-A467 HydrophobicContact CD2-CB 3.99Å; L435-A467 HydrophobicContact CG-CB 3.85Å
436	V	92.2	Very high	82	Confident	14 Å²	14	59.7 Å²	59.7	9%	0.085	34%	0.342	C	S	.	.	H	α-helix	trans	-64.8	-39	-179.9	174.7	0	0	0	0	111.2	N432 A440 C462 A467 A470	N432-V436 WeakPolarHBondContact O-CB 3.38Å; N432-V436 VanDerWaalsContact O-CG2 3.23Å; N432-V436 WeakPolarHBondContact O-CG2 3.36Å; N432-V436 PolarHBondContact O-N 3.25Å; V436-A440 VanDerWaalsContact O-CB 3.29Å; V436-A440 WeakPolarHBondContact O-CB 3.37Å; V436-A440 PolarHBondContact O-N 2.75Å; V436-C462 HydrophobicContact CB-CB 3.69Å; V436-C462 HydrophobicContact CG1-CB 3.92Å; V436-C462 HydrophobicContact CG2-CB 3.73Å; V436-A467 HydrophobicContact CG2-CB 4.21Å; V436-A470 HydrophobicContact CG1-CB 3.93Å
437	K	90.3	Very high	84.7	Confident	70 Å²	70	51 Å²	51	30%	0.304	30%	0.301	S	S	.	.	H	α-helix	trans	-63.1	-45.6	173	-74.9	168.6	-175.5	165.4	0	112	S428 E433 E434 L435 A440 N441	S428-K437 PolarHBondContact OG-NZ 2.77Å; E433-K437 VanDerWaalsContact CD-NZ 3.25Å; E433-K437 HydrophobicContact CG-CD 4.1Å; E433-K437 VanDerWaalsContact CG-NZ 3.29Å; E433-K437 WeakPolarHBondContact O-CB 3.24Å; E433-K437 WeakPolarHBondContact O-CD 3.22Å; E433-K437 WeakPolarHBondContact O-CG 3.33Å; E433-K437 PolarHBondContact O-N 3.3Å; E433-K437 WeakPolarHBondContact OE1-CE 3.3Å; E433-K437 IonicContact OE1-NZ 3.95Å; E433-K437 PolarHBondContact OE1-NZ 3.24Å; E434-K437 PolarHBondContact O-N 2.88Å; L435-K437 PolarHBondContact O-N 2.92Å; K437-A440 PolarHBondContact O-N 3.42Å; K437-N441 WeakPolarHBondContact O-CB 3.25Å; K437-N441 VanDerWaalsContact O-CG 3.26Å; K437-N441 PolarHBondContact O-N 2.97Å; K437-N441 VanDerWaalsContact O-N 3.12Å; K437-N441 PolarHBondContact O-ND2 2.85Å
438	A	93.2	Very high	87.4	Confident	3 Å²	3	48 Å²	48	3%	0.025	29%	0.287	C	S	.	.	H	α-helix	trans	-63.1	-43	178.7	0	0	0	0	0	111.5	E434 L435 N441 G442 D443 K446 V447 I450	E434-A438 WeakPolarHBondContact O-CB 3.26Å; E434-A438 PolarHBondContact O-N 3.17Å; L435-A438 PolarHBondContact O-N 3.21Å; A438-N441 PolarHBondContact O-N 3.24Å; A438-G442 PolarHBondContact O-N 3.33Å; A438-G442 VanDerWaalsContact O-N 3.15Å; A438-D443 PolarHBondContact O-N 3.15Å; A438-K446 HydrophobicContact CB-CB 4.23Å; A438-K446 HydrophobicContact CB-CD 4.18Å; A438-K446 HydrophobicContact CB-CG 3.92Å; A438-V447 HydrophobicContact CB-CG2 3.7Å; A438-I450 HydrophobicContact CB-CD1 4.26Å
439	A	93.8	Very high	89.5	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-66.9	-39.4	177.6	0	0	0	0	0	113.2	L435 N441 G442 V447 A467 A471 H476 V479	L435-A439 WeakPolarHBondContact O-CB 3.32Å; L435-A439 PolarHBondContact O-N 2.77Å; A439-N441 VanDerWaalsContact C-N 3.29Å; A439-N441 PolarHBondContact O-N 2.97Å; A439-G442 PolarHBondContact O-N 3.04Å; A439-V447 HydrophobicContact CB-CG2 4.26Å; A439-A467 HydrophobicContact CB-CB 3.91Å; A439-A467 WeakPolarHBondContact CB-O 3.43Å; A439-A471 HydrophobicContact CB-CB 4.33Å; A439-H476 PolarHBondContact O-CD2 3.19Å; A439-V479 HydrophobicContact CB-CG1 4.03Å
440	A	92	Very high	90.9	Very high	29 Å²	29	46.3 Å²	46.3	24%	0.24	26%	0.255	C	S	.	.	H	α-helix	trans	-64.8	-31.1	174.1	0	0	0	0	0	113.2	V436 K437 A470 H476	V436-A440 VanDerWaalsContact O-CB 3.29Å; V436-A440 WeakPolarHBondContact O-CB 3.37Å; V436-A440 PolarHBondContact O-N 2.75Å; K437-A440 PolarHBondContact O-N 3.42Å; A440-A470 HydrophobicContact CB-CB 4.15Å; A440-H476 PolarHBondContact O-CD2 3.28Å; A440-H476 PolarHBondContact O-NE2 2.82Å
441	N	91.3	Very high	91.4	Very high	129 Å²	129	43.7 Å²	43.7	69%	0.69	24%	0.241	S	C	*	.	H	α-helix	trans	-86.2	-10.4	179	-70.4	-22.2	0	0	0	113.8	K437 A438 A439	K437-N441 WeakPolarHBondContact O-CB 3.25Å; K437-N441 VanDerWaalsContact O-CG 3.26Å; K437-N441 PolarHBondContact O-N 2.97Å; K437-N441 VanDerWaalsContact O-N 3.12Å; K437-N441 PolarHBondContact O-ND2 2.85Å; A438-N441 PolarHBondContact O-N 3.24Å; A439-N441 VanDerWaalsContact C-N 3.29Å; A439-N441 PolarHBondContact O-N 2.97Å
442	G	92.4	Very high	91.6	Very high	26 Å²	26	48.7 Å²	48.7	27%	0.268	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.8	15.5	-176.1	0	0	0	0	0	114.6	A438 A439 L444 H476	A438-G442 PolarHBondContact O-N 3.33Å; A438-G442 VanDerWaalsContact O-N 3.15Å; A439-G442 PolarHBondContact O-N 3.04Å; G442-L444 VanDerWaalsContact C-N 3.32Å; G442-L444 PolarHBondContact O-N 2.98Å; G442-H476 VanDerWaalsContact CA-CG 3.49Å; G442-H476 WeakPolarHBondContact CA-ND1 3.5Å; G442-H476 PolarHBondContact N-CD2 3.23Å; G442-H476 PolarHBondContact N-NE2 3.5Å
443	D	92.9	Very high	91.7	Very high	72 Å²	72	50.7 Å²	50.7	39%	0.385	27%	0.267	S	S	.	.			trans	-78.1	80.6	-177.6	-171	-15	0	0	0	111	A438 A445 K446 V447	A438-D443 PolarHBondContact O-N 3.15Å; D443-A445 VanDerWaalsContact C-N 3.26Å; D443-A445 PolarHBondContact O-N 2.86Å; D443-A445 PolarHBondContact OD1-N 2.69Å; D443-K446 HydrophobicContact CB-CB 4.06Å; D443-K446 PolarHBondContact O-N 2.75Å; D443-K446 WeakPolarHBondContact OD1-CB 3.41Å; D443-K446 PolarHBondContact OD1-N 2.82Å; D443-K446 VanDerWaalsContact OD2-CB 3.24Å; D443-K446 WeakPolarHBondContact OD2-CB 3.32Å; D443-V447 WeakPolarHBondContact O-CG2 3.5Å; D443-V447 PolarHBondContact O-N 3.23Å
444	L	93.5	Very high	91.2	Very high	70 Å²	70	54.3 Å²	54.3	37%	0.366	30%	0.295	S	S	.	.	H	α-helix	trans	-54	-40.9	-179.5	-175.8	67.7	0	0	0	112.6	G442 V447 E448 D478 V479 L482	G442-L444 VanDerWaalsContact C-N 3.32Å; G442-L444 PolarHBondContact O-N 2.98Å; L444-V447 PolarHBondContact O-N 3.14Å; L444-E448 WeakPolarHBondContact O-CB 3.33Å; L444-E448 PolarHBondContact O-N 3.48Å; L444-D478 WeakPolarHBondContact CD1-O 3.48Å; L444-D478 HydrophobicContact CD2-CB 4.32Å; L444-V479 HydrophobicContact CB-CG2 4.36Å; L444-V479 HydrophobicContact CD1-CG2 4.26Å; L444-L482 HydrophobicContact CD1-CB 3.88Å; L444-L482 HydrophobicContact CD1-CD2 3.66Å; L444-L482 HydrophobicContact CD1-CG 4.41Å
445	A	92.7	Very high	90.7	Very high	73 Å²	73	57.6 Å²	57.6	60%	0.603	31%	0.314	S	S	*	.	H	α-helix	trans	-69.8	-41.4	-177.4	0	0	0	0	0	111.6	D443 E448 D449	D443-A445 VanDerWaalsContact C-N 3.26Å; D443-A445 PolarHBondContact O-N 2.86Å; D443-A445 PolarHBondContact OD1-N 2.69Å; A445-E448 PolarHBondContact O-N 2.93Å; A445-D449 PolarHBondContact O-N 2.9Å
446	K	91.8	Very high	90.4	Very high	77 Å²	77	59.2 Å²	59.2	34%	0.335	32%	0.324	S	S	.	.	H	α-helix	trans	-69.5	-38.3	174.9	-177.7	164.1	177.5	155.3	0	112.5	E434 A438 D443 E448 D449 I450	E434-K446 WeakPolarHBondContact OE1-CE 3.44Å; E434-K446 IonicContact OE1-NZ 2.72Å; E434-K446 PolarHBondContact OE1-NZ 2.92Å; A438-K446 HydrophobicContact CB-CB 4.23Å; A438-K446 HydrophobicContact CB-CD 4.18Å; A438-K446 HydrophobicContact CB-CG 3.92Å; D443-K446 HydrophobicContact CB-CB 4.06Å; D443-K446 PolarHBondContact O-N 2.75Å; D443-K446 WeakPolarHBondContact OD1-CB 3.41Å; D443-K446 PolarHBondContact OD1-N 2.82Å; D443-K446 VanDerWaalsContact OD2-CB 3.24Å; D443-K446 WeakPolarHBondContact OD2-CB 3.32Å; K446-E448 VanDerWaalsContact C-N 3.33Å; K446-E448 PolarHBondContact O-N 2.72Å; K446-D449 PolarHBondContact O-N 2.92Å; K446-I450 HydrophobicContact CG-CD1 3.78Å; K446-I450 HydrophobicContact CG-CG1 4.42Å; K446-I450 WeakPolarHBondContact O-CD1 3.4Å; K446-I450 VanDerWaalsContact O-CG1 3.28Å; K446-I450 WeakPolarHBondContact O-CG1 3.36Å; K446-I450 PolarHBondContact O-N 2.89Å
447	V	93.6	Very high	90.2	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-60.1	-44.6	171.7	172.5	0	0	0	0	110.2	L435 A438 A439 D443 L444 D449 I450 L451 V479 L482 L483	L435-V447 HydrophobicContact CD1-CG1 4.05Å; L435-V447 HydrophobicContact CD1-CG2 4.48Å; A438-V447 HydrophobicContact CB-CG2 3.7Å; A439-V447 HydrophobicContact CB-CG2 4.26Å; D443-V447 WeakPolarHBondContact O-CG2 3.5Å; D443-V447 PolarHBondContact O-N 3.23Å; L444-V447 PolarHBondContact O-N 3.14Å; V447-D449 VanDerWaalsContact C-N 3.32Å; V447-D449 PolarHBondContact O-N 2.87Å; V447-I450 PolarHBondContact O-N 2.9Å; V447-L451 HydrophobicContact CG1-CD1 3.64Å; V447-L451 HydrophobicContact CG1-CG 4.12Å; V447-L451 WeakPolarHBondContact O-CB 3.42Å; V447-L451 VanDerWaalsContact O-CG 3.22Å; V447-L451 WeakPolarHBondContact O-CG 3.43Å; V447-L451 PolarHBondContact O-N 3.09Å; V447-V479 HydrophobicContact CG1-CG1 4.38Å; V447-V479 HydrophobicContact CG2-CG1 4.17Å; V447-L482 HydrophobicContact CB-CD2 4.37Å; V447-L482 HydrophobicContact CG1-CD2 3.88Å; V447-L483 HydrophobicContact CG1-CD2 4.4Å
448	E	93.8	Very high	90.2	Very high	88 Å²	88	59.8 Å²	59.8	41%	0.411	33%	0.33	S	S	.	.	H	α-helix	trans	-67.9	-24.6	178.4	-151.7	-157.4	122.4	0	0	114	L444 A445 K446 K452 L482	L444-E448 WeakPolarHBondContact O-CB 3.33Å; L444-E448 PolarHBondContact O-N 3.48Å; A445-E448 PolarHBondContact O-N 2.93Å; K446-E448 VanDerWaalsContact C-N 3.33Å; K446-E448 PolarHBondContact O-N 2.72Å; E448-K452 WeakPolarHBondContact O-CD 3.14Å; E448-K452 WeakPolarHBondContact O-CE 3.48Å; E448-K452 WeakPolarHBondContact O-CG 3.43Å; E448-K452 PolarHBondContact O-NZ 3.1Å; E448-K452 WeakPolarHBondContact OE1-CE 3.11Å; E448-K452 IonicContact OE1-NZ 3.52Å; E448-K452 PolarHBondContact OE1-NZ 2.92Å; E448-L482 HydrophobicContact CB-CD2 3.82Å; E448-L482 HydrophobicContact CG-CD1 4.3Å; E448-L482 HydrophobicContact CG-CD2 4.05Å
449	D	91.8	Very high	90	Very high	85 Å²	85	61.8 Å²	61.8	46%	0.455	34%	0.341	S	S	.	.	H	α-helix	trans	-73.5	-48.2	170.4	-176.7	75.9	0	0	0	111.4	A445 K446 V447 L451 K452 R453	A445-D449 PolarHBondContact O-N 2.9Å; K446-D449 PolarHBondContact O-N 2.92Å; V447-D449 VanDerWaalsContact C-N 3.32Å; V447-D449 PolarHBondContact O-N 2.87Å; D449-L451 VanDerWaalsContact C-N 3.34Å; D449-L451 PolarHBondContact O-N 2.96Å; D449-K452 PolarHBondContact O-N 2.64Å; D449-K452 VanDerWaalsContact O-N 3.15Å; D449-R453 IonicContact OD2-CZ 2.99Å; D449-R453 IonicContact OD2-NE 3.78Å; D449-R453 IonicContact OD2-NH2 3.98Å; D449-R453 PolarHBondContact OD2-NH2 2.87Å
450	I	90.9	Very high	89.7	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-63.8	-40.5	-178.4	-64.1	163.7	0	0	0	111	I431 E434 L435 A438 K446 V447 K452 R453 V456	I431-I450 HydrophobicContact CG2-CG2 3.59Å; E434-I450 HydrophobicContact CB-CD1 4.14Å; E434-I450 HydrophobicContact CG-CD1 3.7Å; L435-I450 HydrophobicContact CB-CG2 4.06Å; L435-I450 HydrophobicContact CD1-CB 4.21Å; L435-I450 HydrophobicContact CD1-CG2 3.94Å; A438-I450 HydrophobicContact CB-CD1 4.26Å; K446-I450 HydrophobicContact CG-CD1 3.78Å; K446-I450 HydrophobicContact CG-CG1 4.42Å; K446-I450 WeakPolarHBondContact O-CD1 3.4Å; K446-I450 VanDerWaalsContact O-CG1 3.28Å; K446-I450 WeakPolarHBondContact O-CG1 3.36Å; K446-I450 PolarHBondContact O-N 2.89Å; V447-I450 PolarHBondContact O-N 2.9Å; I450-K452 PolarHBondContact O-N 2.91Å; I450-K452 VanDerWaalsContact O-N 3.09Å; I450-R453 WeakPolarHBondContact O-CB 3.36Å; I450-R453 WeakPolarHBondContact O-CG 3.4Å; I450-R453 PolarHBondContact O-N 3.06Å; I450-V456 HydrophobicContact CG2-CG2 3.89Å
451	L	90.6	Very high	89.5	Confident	15 Å²	15	65.4 Å²	65.4	8%	0.079	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-6.1	177.6	-67.9	176.1	0	0	0	114.8	L435 V447 D449 V456 V458 L482 L483	L435-L451 HydrophobicContact CD1-CD2 4.08Å; L435-L451 HydrophobicContact CD1-CG 4.24Å; L435-L451 HydrophobicContact CD2-CD2 4.32Å; V447-L451 HydrophobicContact CG1-CD1 3.64Å; V447-L451 HydrophobicContact CG1-CG 4.12Å; V447-L451 WeakPolarHBondContact O-CB 3.42Å; V447-L451 VanDerWaalsContact O-CG 3.22Å; V447-L451 WeakPolarHBondContact O-CG 3.43Å; V447-L451 PolarHBondContact O-N 3.09Å; D449-L451 VanDerWaalsContact C-N 3.34Å; D449-L451 PolarHBondContact O-N 2.96Å; L451-V456 HydrophobicContact CD2-CG2 4.44Å; L451-V458 HydrophobicContact CD2-CB 4.37Å; L451-V458 HydrophobicContact CD2-CG2 3.77Å; L451-L482 HydrophobicContact CD1-CD2 4.19Å; L451-L482 HydrophobicContact CD1-CG 4.03Å; L451-L483 HydrophobicContact CD1-CD2 4.28Å
452	K	89.6	Confident	89.2	Confident	136 Å²	136	60.5 Å²	60.5	59%	0.591	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-8.3	173	-68.6	163.3	-171.3	141.6	0	113.2	E448 D449 I450	E448-K452 WeakPolarHBondContact O-CD 3.14Å; E448-K452 WeakPolarHBondContact O-CE 3.48Å; E448-K452 WeakPolarHBondContact O-CG 3.43Å; E448-K452 PolarHBondContact O-NZ 3.1Å; E448-K452 WeakPolarHBondContact OE1-CE 3.11Å; E448-K452 IonicContact OE1-NZ 3.52Å; E448-K452 PolarHBondContact OE1-NZ 2.92Å; D449-K452 PolarHBondContact O-N 2.64Å; D449-K452 VanDerWaalsContact O-N 3.15Å; I450-K452 PolarHBondContact O-N 2.91Å; I450-K452 VanDerWaalsContact O-N 3.09Å
453	R	87.8	Confident	88.7	Confident	79 Å²	79	63 Å²	63	30%	0.298	35%	0.347	S	S	.	.	S	Bend	trans	-76.8	140.4	177.6	-55.2	-175.4	-173	160.1	9.6	109.6	E434 D449 I450 D455 V456	E434-R453 IonicContact OE2-CZ 3.84Å; E434-R453 IonicContact OE2-NH1 3.52Å; E434-R453 PolarHBondContact OE2-NH1 2.94Å; E434-R453 IonicContact OE2-NH2 3.03Å; D449-R453 IonicContact OD2-CZ 2.99Å; D449-R453 IonicContact OD2-NE 3.78Å; D449-R453 IonicContact OD2-NH2 3.98Å; D449-R453 PolarHBondContact OD2-NH2 2.87Å; I450-R453 WeakPolarHBondContact O-CB 3.36Å; I450-R453 WeakPolarHBondContact O-CG 3.4Å; I450-R453 PolarHBondContact O-N 3.06Å; R453-D455 VanDerWaalsContact CB-OD1 3.29Å; R453-D455 WeakPolarHBondContact CB-OD1 3.39Å; R453-D455 PolarHBondContact O-N 3.45Å; R453-V456 VanDerWaalsContact O-CG1 3.24Å; R453-V456 WeakPolarHBondContact O-CG1 3.48Å
454	P	77.1	Confident	88.2	Confident	137 Å²	137	60 Å²	60	89%	0.89	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-5.4	-172.1	32.9	-37.5	0	0	0	114.2
455	D	81.4	Confident	88	Confident	107 Å²	107	60.1 Å²	60.1	57%	0.572	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116	7.2	-172.5	51.9	-9.2	0	0	0	113.4	I431 R453	I431-D455 HydrophobicContact CD1-CB 4.39Å; I431-D455 WeakPolarHBondContact CD1-OD1 3.48Å; I431-D455 VanDerWaalsContact CD1-OD2 3.28Å; I431-D455 WeakPolarHBondContact CD1-OD2 3.19Å; R453-D455 VanDerWaalsContact CB-OD1 3.29Å; R453-D455 WeakPolarHBondContact CB-OD1 3.39Å; R453-D455 PolarHBondContact O-N 3.45Å
456	V	85.4	Confident	88	Confident	33 Å²	33	56.8 Å²	56.8	20%	0.2	31%	0.305	C	S	.	.			trans	-78.9	130.4	174.1	69	0	0	0	0	111.7	I431 L435 I450 L451 R453	I431-V456 HydrophobicContact CG2-CB 4.18Å; I431-V456 HydrophobicContact CG2-CG2 4.11Å; L435-V456 HydrophobicContact CD2-CG2 3.91Å; I450-V456 HydrophobicContact CG2-CG2 3.89Å; L451-V456 HydrophobicContact CD2-CG2 4.44Å; R453-V456 VanDerWaalsContact O-CG1 3.24Å; R453-V456 WeakPolarHBondContact O-CG1 3.48Å
457	D	88.7	Confident	88.1	Confident	83 Å²	83	53.1 Å²	53.1	44%	0.444	29%	0.289	S	S	.	.			trans	-95.9	116.3	160.1	-176.9	2	0	0	0	108.8	N432 N459 G460	N432-D457 PolarHBondContact OD1-O 2.86Å; D457-N459 PolarHBondContact O-N 2.84Å; D457-N459 WeakPolarHBondContact OD1-CA 3.48Å; D457-N459 WeakPolarHBondContact OD1-CB 3.31Å; D457-N459 PolarHBondContact OD1-N 3.2Å; D457-G460 PolarHBondContact O-N 3.03Å
458	V	89.1	Confident	88.2	Confident	14 Å²	14	53.1 Å²	53.1	9%	0.085	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-24.2	177.7	78	0	0	0	0	112.3	L451 L483 H486 V488	L451-V458 HydrophobicContact CD2-CB 4.37Å; L451-V458 HydrophobicContact CD2-CG2 3.77Å; V458-L483 HydrophobicContact CG2-CD2 3.84Å; V458-H486 HydrophobicContact CG2-CB 4.03Å; V458-V488 HydrophobicContact CB-CG2 4.23Å; V458-V488 HydrophobicContact CG1-CG2 3.89Å; V458-V488 HydrophobicContact CG2-CG2 3.38Å
459	N	90.6	Very high	88.2	Confident	45 Å²	45	49 Å²	49	24%	0.241	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98	4.5	176.9	-58.8	-54.3	0	0	0	112.2	D457 Q461 V488 D489	D457-N459 PolarHBondContact O-N 2.84Å; D457-N459 WeakPolarHBondContact OD1-CA 3.48Å; D457-N459 WeakPolarHBondContact OD1-CB 3.31Å; D457-N459 PolarHBondContact OD1-N 3.2Å; N459-Q461 PolarHBondContact O-N 2.8Å; N459-V488 WeakPolarHBondContact OD1-CA 3.35Å; N459-D489 PolarHBondContact OD1-N 3.01Å
460	G	87.6	Confident	88.3	Confident	6 Å²	6	45.6 Å²	45.6	6%	0.062	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-57	134	179.4	0	0	0	0	0	112.3	D457	D457-G460 PolarHBondContact O-N 3.03Å
461	Q	87	Confident	88.5	Confident	98 Å²	98	45.6 Å²	45.6	46%	0.458	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	120.3	-173.7	-68.6	-171	-4.3	0	0	112.8	N459 H465 T466	N459-Q461 PolarHBondContact O-N 2.8Å; Q461-H465 CarbonylContact C-O 3.56Å; Q461-H465 VanDerWaalsContact CA-O 3.31Å; Q461-H465 WeakPolarHBondContact CA-O 3.44Å; Q461-T466 HydrophobicContact CG-CG2 3.94Å
462	C	85.6	Confident	88.7	Confident	26 Å²	26	45 Å²	45	18%	0.176	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	127.8	168.2	176.6	0	0	0	0	110.1	E433 V436 G464 H465	E433-C462 HydrophobicContact CB-CB 4.38Å; V436-C462 HydrophobicContact CB-CB 3.69Å; V436-C462 HydrophobicContact CG1-CB 3.92Å; V436-C462 HydrophobicContact CG2-CB 3.73Å; C462-G464 PolarHBondContact O-N 2.88Å; C462-H465 PolarHBondContact N-O 2.77Å; C462-H465 PolarHBondContact O-N 3.3Å
463	A	80.1	Confident	88.9	Confident	78 Å²	78	42.5 Å²	42.5	65%	0.645	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.4	4.1	-173.6	0	0	0	0	0	116	K495	A463-K495 PolarHBondContact O-NZ 2.7Å
464	G	83.1	Confident	89.1	Confident	10 Å²	10	43 Å²	43	10%	0.103	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	108.4	8.6	-173.5	0	0	0	0	0	115.2	C462	C462-G464 PolarHBondContact O-N 2.88Å
465	H	89.3	Confident	89.8	Confident	73 Å²	73	37.4 Å²	37.4	34%	0.338	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	143.7	175.7	-48.1	99.7	0	0	0	112	Q461 C462 H503	Q461-H465 CarbonylContact C-O 3.56Å; Q461-H465 VanDerWaalsContact CA-O 3.31Å; Q461-H465 WeakPolarHBondContact CA-O 3.44Å; C462-H465 PolarHBondContact N-O 2.77Å; C462-H465 PolarHBondContact O-N 3.3Å; H465-H503 AromaticContact CD2-CE1 3.53Å; H465-H503 AromaticContact CD2-NE2 3.77Å; H465-H503 AromaticContact NE2-CE1 3.97Å
466	T	93.6	Very high	90.4	Very high	3 Å²	3	34.8 Å²	34.8	2%	0.018	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	164.1	173.4	72.5	0	0	0	0	112	Q461 M468 Q469 A470 A492	Q461-T466 HydrophobicContact CG-CG2 3.94Å; T466-M468 PolarHBondContact O-N 3.09Å; T466-M468 PolarHBondContact OG1-N 2.71Å; T466-Q469 PolarHBondContact O-N 3.39Å; T466-Q469 WeakPolarHBondContact OG1-CG 3.21Å; T466-Q469 PolarHBondContact OG1-N 2.93Å; T466-A470 PolarHBondContact O-N 2.88Å; T466-A470 VanDerWaalsContact O-N 3.09Å; T466-A492 HydrophobicContact CG2-CB 4.21Å
467	A	93.8	Very high	90.8	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-60.6	-33.9	175.3	0	0	0	0	0	112.1	L435 V436 A439 A471 L483	L435-A467 HydrophobicContact CD2-CB 3.99Å; L435-A467 HydrophobicContact CG-CB 3.85Å; V436-A467 HydrophobicContact CG2-CB 4.21Å; A439-A467 HydrophobicContact CB-CB 3.91Å; A439-A467 WeakPolarHBondContact CB-O 3.43Å; A467-A471 WeakPolarHBondContact O-CB 3.39Å; A467-A471 PolarHBondContact O-N 2.95Å; A467-L483 HydrophobicContact CB-CD1 4.22Å; A467-L483 HydrophobicContact CB-CD2 4.32Å
468	M	95.5	Very high	91.1	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-67.3	-47.9	177.3	-162.1	71.1	179.5	0	0	112	T466 A470 A471 S472 L480 L483 L484 V488 L490 A500 L516	T466-M468 PolarHBondContact O-N 3.09Å; T466-M468 PolarHBondContact OG1-N 2.71Å; M468-A470 VanDerWaalsContact C-N 3.31Å; M468-A470 PolarHBondContact O-N 2.76Å; M468-A471 PolarHBondContact O-N 2.95Å; M468-S472 WeakPolarHBondContact O-CB 3.46Å; M468-S472 PolarHBondContact O-N 3.31Å; M468-S472 PolarHBondContact O-OG 3.32Å; M468-L480 HydrophobicContact CE-CB 4Å; M468-L480 HydrophobicContact CE-CD2 3.49Å; M468-L480 VanDerWaalsContact CE-CD2 3.49Å; M468-L480 HydrophobicContact CE-CG 4.36Å; M468-L480 HydrophobicContact CG-CD2 4.21Å; M468-L480 HydrophobicContact SD-CD2 3.55Å; M468-L480 VanDerWaalsContact SD-CD2 3.55Å; M468-L483 HydrophobicContact CB-CD1 4.38Å; M468-L483 HydrophobicContact SD-CB 3.64Å; M468-L483 HydrophobicContact SD-CD1 3.76Å; M468-L483 HydrophobicContact SD-CG 4.36Å; M468-L484 HydrophobicContact CE-CD1 4.17Å; M468-L484 HydrophobicContact CE-CD2 4Å; M468-L484 HydrophobicContact CE-CG 3.71Å; M468-V488 HydrophobicContact CB-CG1 3.7Å; M468-V488 HydrophobicContact CG-CG1 3.7Å; M468-V488 HydrophobicContact SD-CG1 4.04Å; M468-L490 HydrophobicContact CE-CD2 3.67Å; M468-L490 HydrophobicContact CG-CD2 3.9Å; M468-L490 HydrophobicContact SD-CD2 4.36Å; M468-A500 HydrophobicContact CG-CB 4.19Å; M468-L516 HydrophobicContact CE-CD2 3.69Å
469	Q	94.6	Very high	91.4	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-58.3	-44	176	-71	168.5	-20	0	0	111.3	T466 S472 Q473 A492 D498 H503	T466-Q469 PolarHBondContact O-N 3.39Å; T466-Q469 WeakPolarHBondContact OG1-CG 3.21Å; T466-Q469 PolarHBondContact OG1-N 2.93Å; Q469-S472 PolarHBondContact O-N 3.07Å; Q469-Q473 PolarHBondContact O-N 2.82Å; Q469-Q473 VanDerWaalsContact O-N 3.12Å; Q469-A492 PolarHBondContact NE2-O 3.28Å; Q469-D498 PolarHBondContact NE2-O 2.87Å; Q469-H503 HydrophobicContact CB-CB 4.39Å; Q469-H503 WeakPolarHBondContact O-CB 3.43Å
470	A	93.3	Very high	91.6	Very high	14 Å²	14	32.2 Å²	32.2	12%	0.116	19%	0.187	C	C	.	.	H	α-helix	trans	-66	-40.1	178.9	0	0	0	0	0	113.4	V436 A440 T466 M468 N474	V436-A470 HydrophobicContact CG1-CB 3.93Å; A440-A470 HydrophobicContact CB-CB 4.15Å; T466-A470 PolarHBondContact O-N 2.88Å; T466-A470 VanDerWaalsContact O-N 3.09Å; M468-A470 VanDerWaalsContact C-N 3.31Å; M468-A470 PolarHBondContact O-N 2.76Å; A470-N474 PolarHBondContact O-ND2 2.97Å
471	A	94.7	Very high	92	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-68.1	-39.4	173.6	0	0	0	0	0	112.1	A439 A467 M468 N474 G475 H476 V479 L480 L483	A439-A471 HydrophobicContact CB-CB 4.33Å; A467-A471 WeakPolarHBondContact O-CB 3.39Å; A467-A471 PolarHBondContact O-N 2.95Å; M468-A471 PolarHBondContact O-N 2.95Å; A471-N474 PolarHBondContact O-N 2.88Å; A471-G475 PolarHBondContact O-N 3.23Å; A471-H476 HydrophobicContact CB-CB 4.25Å; A471-H476 PolarHBondContact O-N 3.4Å; A471-H476 VanDerWaalsContact O-N 3.11Å; A471-V479 HydrophobicContact CB-CB 4.41Å; A471-V479 HydrophobicContact CB-CG1 4.02Å; A471-L480 HydrophobicContact CB-CD2 3.63Å; A471-L480 HydrophobicContact CB-CG 3.99Å; A471-L483 HydrophobicContact CB-CD1 4.44Å
472	S	94.9	Very high	92.3	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.007	19%	0.186	C	C	.	.	H	α-helix	trans	-61.1	-45.7	179.7	-70.3	0	0	0	0	112.3	M468 Q469 N474 G475 L480 A500	M468-S472 WeakPolarHBondContact O-CB 3.46Å; M468-S472 PolarHBondContact O-N 3.31Å; M468-S472 PolarHBondContact O-OG 3.32Å; Q469-S472 PolarHBondContact O-N 3.07Å; S472-N474 VanDerWaalsContact C-N 3.26Å; S472-N474 PolarHBondContact O-N 3.01Å; S472-G475 PolarHBondContact O-N 3.29Å; S472-L480 WeakPolarHBondContact OG-CD2 3.36Å; S472-A500 WeakPolarHBondContact CB-O 3.36Å; S472-A500 PolarHBondContact OG-O 2.92Å
473	Q	93.8	Very high	92.7	Very high	84 Å²	84	31.3 Å²	31.3	39%	0.393	18%	0.177	S	C	.	.	H	α-helix	trans	-66.9	-25.1	-178.7	-173.8	172.6	-36.6	0	0	113.8	Q469 H503 F506	Q469-Q473 PolarHBondContact O-N 2.82Å; Q469-Q473 VanDerWaalsContact O-N 3.12Å; Q473-H503 WeakPolarHBondContact CA-O 3.21Å; Q473-H503 HydrophobicContact CB-CB 4.19Å; Q473-H503 PolarHBondContact OE1-ND1 3.37Å; Q473-F506 HydrophobicContact CG-CB 4.17Å
474	N	91.5	Very high	93.3	Very high	90 Å²	90	30.2 Å²	30.2	48%	0.481	16%	0.16	S	C	.	.	H	α-helix	trans	-103	2.4	-176.1	-67.3	-78	0	0	0	113.8	A470 A471 S472 H476	A470-N474 PolarHBondContact O-ND2 2.97Å; A471-N474 PolarHBondContact O-N 2.88Å; S472-N474 VanDerWaalsContact C-N 3.26Å; S472-N474 PolarHBondContact O-N 3.01Å; N474-H476 WeakPolarHBondContact CB-NE2 3.34Å
475	G	92.2	Very high	93.7	Very high	20 Å²	20	37.3 Å²	37.3	21%	0.206	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.1	15.3	175.3	0	0	0	0	0	115.6	A471 S472 V477	A471-G475 PolarHBondContact O-N 3.23Å; S472-G475 PolarHBondContact O-N 3.29Å; G475-V477 VanDerWaalsContact C-N 3.26Å; G475-V477 PolarHBondContact O-N 3.15Å
476	H	94.8	Very high	93.7	Very high	51 Å²	51	37.7 Å²	37.7	24%	0.236	19%	0.19	C	C	.	.			trans	-81.7	64.9	-168.8	-64.1	-49.3	0	0	0	113.8	A439 A440 G442 A471 N474 D478 V479 L480	A439-H476 PolarHBondContact O-CD2 3.19Å; A440-H476 PolarHBondContact O-CD2 3.28Å; A440-H476 PolarHBondContact O-NE2 2.82Å; G442-H476 VanDerWaalsContact CA-CG 3.49Å; G442-H476 WeakPolarHBondContact CA-ND1 3.5Å; G442-H476 PolarHBondContact N-CD2 3.23Å; G442-H476 PolarHBondContact N-NE2 3.5Å; A471-H476 HydrophobicContact CB-CB 4.25Å; A471-H476 PolarHBondContact O-N 3.4Å; A471-H476 VanDerWaalsContact O-N 3.11Å; N474-H476 WeakPolarHBondContact CB-NE2 3.34Å; H476-D478 VanDerWaalsContact C-N 3.31Å; H476-D478 PolarHBondContact O-N 3.43Å; H476-D478 VanDerWaalsContact O-N 3.13Å; H476-V479 HydrophobicContact CB-CB 4.11Å; H476-V479 HydrophobicContact CB-CG2 4.19Å; H476-V479 WeakPolarHBondContact O-CB 3.26Å; H476-V479 PolarHBondContact O-N 2.75Å; H476-L480 WeakPolarHBondContact O-CG 3.5Å; H476-L480 PolarHBondContact O-N 3.38Å
477	V	94.1	Very high	93.3	Very high	29 Å²	29	44.5 Å²	44.5	18%	0.176	23%	0.226	C	C	.	.	H	α-helix	trans	-43.5	-44.9	-176.2	166.2	0	0	0	0	114.7	G475 L480 K481 S511 V512 V515	G475-V477 VanDerWaalsContact C-N 3.26Å; G475-V477 PolarHBondContact O-N 3.15Å; V477-L480 PolarHBondContact O-N 3.09Å; V477-K481 HydrophobicContact CG1-CD 4.43Å; V477-K481 WeakPolarHBondContact O-CG 3.25Å; V477-K481 PolarHBondContact O-N 3.38Å; V477-S511 VanDerWaalsContact CG2-OG 3.3Å; V477-S511 WeakPolarHBondContact CG2-OG 3.38Å; V477-V512 HydrophobicContact CG2-CG2 4.27Å; V477-V515 HydrophobicContact CG1-CG2 4.36Å
478	D	94.4	Very high	93.2	Very high	90 Å²	90	45.5 Å²	45.5	48%	0.481	23%	0.232	S	C	.	.	H	α-helix	trans	-79.2	-28.2	-177.1	-67.1	-39.8	0	0	0	113.4	L444 H476 K481 L482	L444-D478 WeakPolarHBondContact CD1-O 3.48Å; L444-D478 HydrophobicContact CD2-CB 4.32Å; H476-D478 VanDerWaalsContact C-N 3.31Å; H476-D478 PolarHBondContact O-N 3.43Å; H476-D478 VanDerWaalsContact O-N 3.13Å; D478-K481 PolarHBondContact O-N 3.2Å; D478-K481 WeakPolarHBondContact OD1-CD 3.38Å; D478-K481 WeakPolarHBondContact OD1-CE 3.36Å; D478-K481 IonicContact OD1-NZ 2.69Å; D478-K481 PolarHBondContact OD1-NZ 2.9Å; D478-L482 PolarHBondContact O-N 3.42Å; D478-L482 VanDerWaalsContact O-N 3.09Å
479	V	95.3	Very high	93	Very high	3 Å²	3	49.2 Å²	49.2	2%	0.018	25%	0.252	C	S	.	.	H	α-helix	trans	-66.3	-42.1	169.1	176.1	0	0	0	0	110	A439 L444 V447 A471 H476 K481 L482 L483	A439-V479 HydrophobicContact CB-CG1 4.03Å; L444-V479 HydrophobicContact CB-CG2 4.36Å; L444-V479 HydrophobicContact CD1-CG2 4.26Å; V447-V479 HydrophobicContact CG1-CG1 4.38Å; V447-V479 HydrophobicContact CG2-CG1 4.17Å; A471-V479 HydrophobicContact CB-CB 4.41Å; A471-V479 HydrophobicContact CB-CG1 4.02Å; H476-V479 HydrophobicContact CB-CB 4.11Å; H476-V479 HydrophobicContact CB-CG2 4.19Å; H476-V479 WeakPolarHBondContact O-CB 3.26Å; H476-V479 PolarHBondContact O-N 2.75Å; V479-K481 PolarHBondContact O-N 2.85Å; V479-L482 WeakPolarHBondContact O-CB 3.3Å; V479-L482 PolarHBondContact O-N 3.36Å; V479-L482 VanDerWaalsContact O-N 3.1Å; V479-L483 HydrophobicContact CG1-CD1 3.9Å; V479-L483 HydrophobicContact CG1-CG 4.23Å; V479-L483 WeakPolarHBondContact O-CB 3.38Å; V479-L483 WeakPolarHBondContact O-CG 3.4Å; V479-L483 PolarHBondContact O-N 2.99Å
480	L	95.1	Very high	92.9	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-60.5	-43.6	175.5	-63.3	165.6	0	0	0	111.7	M468 A471 S472 H476 V477 L482 L483 L484 V512 V515	M468-L480 HydrophobicContact CE-CB 4Å; M468-L480 HydrophobicContact CE-CD2 3.49Å; M468-L480 VanDerWaalsContact CE-CD2 3.49Å; M468-L480 HydrophobicContact CE-CG 4.36Å; M468-L480 HydrophobicContact CG-CD2 4.21Å; M468-L480 HydrophobicContact SD-CD2 3.55Å; M468-L480 VanDerWaalsContact SD-CD2 3.55Å; A471-L480 HydrophobicContact CB-CD2 3.63Å; A471-L480 HydrophobicContact CB-CG 3.99Å; S472-L480 WeakPolarHBondContact OG-CD2 3.36Å; H476-L480 WeakPolarHBondContact O-CG 3.5Å; H476-L480 PolarHBondContact O-N 3.38Å; V477-L480 PolarHBondContact O-N 3.09Å; L480-L482 VanDerWaalsContact C-N 3.27Å; L480-L482 PolarHBondContact O-N 2.89Å; L480-L483 PolarHBondContact O-N 3.49Å; L480-L484 WeakPolarHBondContact O-CB 3.48Å; L480-L484 VanDerWaalsContact O-CG 3.31Å; L480-L484 WeakPolarHBondContact O-CG 3.29Å; L480-L484 PolarHBondContact O-N 3.02Å; L480-V512 HydrophobicContact CD1-CB 4.25Å; L480-V512 HydrophobicContact CD1-CG1 3.74Å; L480-V512 HydrophobicContact CD1-CG2 3.83Å; L480-V515 HydrophobicContact CB-CG1 3.9Å
481	K	94.8	Very high	93	Very high	94 Å²	94	52.1 Å²	52.1	41%	0.409	26%	0.263	S	S	.	.	H	α-helix	trans	-64.3	-26.5	173.9	-69.5	170.4	-161.5	159	0	113.8	V477 D478 V479 K485 V515	V477-K481 HydrophobicContact CG1-CD 4.43Å; V477-K481 WeakPolarHBondContact O-CG 3.25Å; V477-K481 PolarHBondContact O-N 3.38Å; D478-K481 PolarHBondContact O-N 3.2Å; D478-K481 WeakPolarHBondContact OD1-CD 3.38Å; D478-K481 WeakPolarHBondContact OD1-CE 3.36Å; D478-K481 IonicContact OD1-NZ 2.69Å; D478-K481 PolarHBondContact OD1-NZ 2.9Å; V479-K481 PolarHBondContact O-N 2.85Å; K481-K485 WeakPolarHBondContact O-CE 3.1Å; K481-V515 HydrophobicContact CG-CG1 4.47Å
482	L	94.3	Very high	92.9	Very high	17 Å²	17	52.8 Å²	52.8	9%	0.089	27%	0.269	C	S	.	.	H	α-helix	trans	-77.9	-52.2	174.1	176.7	60.3	0	0	0	110.4	L444 V447 E448 L451 D478 V479 L480 L484 K485	L444-L482 HydrophobicContact CD1-CB 3.88Å; L444-L482 HydrophobicContact CD1-CD2 3.66Å; L444-L482 HydrophobicContact CD1-CG 4.41Å; V447-L482 HydrophobicContact CB-CD2 4.37Å; V447-L482 HydrophobicContact CG1-CD2 3.88Å; E448-L482 HydrophobicContact CB-CD2 3.82Å; E448-L482 HydrophobicContact CG-CD1 4.3Å; E448-L482 HydrophobicContact CG-CD2 4.05Å; L451-L482 HydrophobicContact CD1-CD2 4.19Å; L451-L482 HydrophobicContact CD1-CG 4.03Å; D478-L482 PolarHBondContact O-N 3.42Å; D478-L482 VanDerWaalsContact O-N 3.09Å; V479-L482 WeakPolarHBondContact O-CB 3.3Å; V479-L482 PolarHBondContact O-N 3.36Å; V479-L482 VanDerWaalsContact O-N 3.1Å; L480-L482 VanDerWaalsContact C-N 3.27Å; L480-L482 PolarHBondContact O-N 2.89Å; L482-L484 VanDerWaalsContact C-N 3.31Å; L482-L484 PolarHBondContact O-N 3.1Å; L482-K485 WeakPolarHBondContact O-CB 3.32Å; L482-K485 PolarHBondContact O-N 3.21Å
483	L	93.6	Very high	92.8	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-53.9	-43	178.5	-77.2	176.2	0	0	0	112.7	V447 L451 V458 A467 M468 A471 V479 L480 K485 H486 V488	V447-L483 HydrophobicContact CG1-CD2 4.4Å; L451-L483 HydrophobicContact CD1-CD2 4.28Å; V458-L483 HydrophobicContact CG2-CD2 3.84Å; A467-L483 HydrophobicContact CB-CD1 4.22Å; A467-L483 HydrophobicContact CB-CD2 4.32Å; M468-L483 HydrophobicContact CB-CD1 4.38Å; M468-L483 HydrophobicContact SD-CB 3.64Å; M468-L483 HydrophobicContact SD-CD1 3.76Å; M468-L483 HydrophobicContact SD-CG 4.36Å; A471-L483 HydrophobicContact CB-CD1 4.44Å; V479-L483 HydrophobicContact CG1-CD1 3.9Å; V479-L483 HydrophobicContact CG1-CG 4.23Å; V479-L483 WeakPolarHBondContact O-CB 3.38Å; V479-L483 WeakPolarHBondContact O-CG 3.4Å; V479-L483 PolarHBondContact O-N 2.99Å; L480-L483 PolarHBondContact O-N 3.49Å; L483-K485 PolarHBondContact O-N 2.93Å; L483-H486 PolarHBondContact O-N 3.46Å; L483-V488 HydrophobicContact CB-CG2 4.07Å; L483-V488 HydrophobicContact CD2-CG2 4.39Å; L483-V488 WeakPolarHBondContact O-CG2 3.26Å
484	L	93	Very high	92.6	Very high	54 Å²	54	53.5 Å²	53.5	28%	0.283	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-58.4	-20.2	176.2	-78.9	168.6	0	0	0	114.7	M468 L480 L482 H486 L490 V515	M468-L484 HydrophobicContact CE-CD1 4.17Å; M468-L484 HydrophobicContact CE-CD2 4Å; M468-L484 HydrophobicContact CE-CG 3.71Å; L480-L484 WeakPolarHBondContact O-CB 3.48Å; L480-L484 VanDerWaalsContact O-CG 3.31Å; L480-L484 WeakPolarHBondContact O-CG 3.29Å; L480-L484 PolarHBondContact O-N 3.02Å; L482-L484 VanDerWaalsContact C-N 3.31Å; L482-L484 PolarHBondContact O-N 3.1Å; L484-H486 VanDerWaalsContact C-N 3.31Å; L484-L490 HydrophobicContact CD2-CD1 3.95Å; L484-L490 HydrophobicContact CD2-CD2 3.86Å; L484-L490 HydrophobicContact CD2-CG 4.37Å; L484-V515 HydrophobicContact CD1-CG1 3.55Å
485	K	92.2	Very high	92.5	Very high	159 Å²	159	56.2 Å²	56.2	69%	0.691	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-81.2	-10.2	176.8	-60.8	170.1	-174.3	171.3	0	113.4	K481 L482 L483	K481-K485 WeakPolarHBondContact O-CE 3.1Å; L482-K485 WeakPolarHBondContact O-CB 3.32Å; L482-K485 PolarHBondContact O-N 3.21Å; L483-K485 PolarHBondContact O-N 2.93Å
486	H	88.6	Confident	92.4	Very high	81 Å²	81	58.6 Å²	58.6	38%	0.375	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-110.6	22.9	-171.2	-76.1	-103	0	0	0	113.6	V458 L483 L484	V458-H486 HydrophobicContact CG2-CB 4.03Å; L483-H486 PolarHBondContact O-N 3.46Å; L484-H486 VanDerWaalsContact C-N 3.31Å
487	N	84.7	Confident	92.3	Very high	147 Å²	147	56.2 Å²	56.2	79%	0.786	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.1	48.9	-178.8	-60.7	-24	0	0	0	114
488	V	91.8	Very high	92.4	Very high	21 Å²	21	55.4 Å²	55.4	13%	0.127	27%	0.272	C	S	.	.			trans	-68	138.9	169.6	162.3	0	0	0	0	111.8	V458 N459 M468 L483 L490	V458-V488 HydrophobicContact CB-CG2 4.23Å; V458-V488 HydrophobicContact CG1-CG2 3.89Å; V458-V488 HydrophobicContact CG2-CG2 3.38Å; N459-V488 WeakPolarHBondContact OD1-CA 3.35Å; M468-V488 HydrophobicContact CB-CG1 3.7Å; M468-V488 HydrophobicContact CG-CG1 3.7Å; M468-V488 HydrophobicContact SD-CG1 4.04Å; L483-V488 HydrophobicContact CB-CG2 4.07Å; L483-V488 HydrophobicContact CD2-CG2 4.39Å; L483-V488 WeakPolarHBondContact O-CG2 3.26Å; V488-L490 HydrophobicContact CG1-CD2 3.86Å
489	D	92.2	Very high	92.4	Very high	77 Å²	77	52.8 Å²	52.8	41%	0.412	26%	0.256	S	S	.	.			trans	-81.7	117	165.1	-175.7	4.3	0	0	0	110.4	N459 E491 A492	N459-D489 PolarHBondContact OD1-N 3.01Å; D489-E491 WeakPolarHBondContact OD1-CA 3.48Å; D489-E491 PolarHBondContact OD1-N 3.24Å; D489-A492 HydrophobicContact CB-CB 4.26Å; D489-A492 PolarHBondContact OD1-N 3.44Å
490	L	92.8	Very high	92.4	Very high	12 Å²	12	52.7 Å²	52.7	6%	0.063	26%	0.255	C	S	.	.	S	Bend	trans	-86	-21	177.6	-53.8	178.5	0	0	0	112.6	M468 L484 V488 L516 G519 A521	M468-L490 HydrophobicContact CE-CD2 3.67Å; M468-L490 HydrophobicContact CG-CD2 3.9Å; M468-L490 HydrophobicContact SD-CD2 4.36Å; L484-L490 HydrophobicContact CD2-CD1 3.95Å; L484-L490 HydrophobicContact CD2-CD2 3.86Å; L484-L490 HydrophobicContact CD2-CG 4.37Å; V488-L490 HydrophobicContact CG1-CD2 3.86Å; L490-L516 HydrophobicContact CD2-CD2 4.04Å; L490-G519 WeakPolarHBondContact CD1-O 2.95Å; L490-A521 HydrophobicContact CB-CB 3.93Å; L490-A521 HydrophobicContact CD1-CB 3.94Å
491	E	93.9	Very high	92.4	Very high	64 Å²	64	52.7 Å²	52.7	30%	0.299	26%	0.255	S	S	.	.	S	Bend	trans	-93.6	-1.9	-176.2	-63.4	-60.7	132.6	0	0	112.3	D489 E493 R499 A521 D522	D489-E491 WeakPolarHBondContact OD1-CA 3.48Å; D489-E491 PolarHBondContact OD1-N 3.24Å; E491-E493 PolarHBondContact O-N 2.88Å; E491-R499 VanDerWaalsContact OE2-CD 3.26Å; E491-R499 WeakPolarHBondContact OE2-CD 3.49Å; E491-R499 IonicContact OE2-CZ 3.62Å; E491-R499 IonicContact OE2-NE 3.73Å; E491-R499 PolarHBondContact OE2-NE 3.04Å; E491-R499 IonicContact OE2-NH2 3.67Å; E491-A521 WeakPolarHBondContact OE1-CA 3.49Å; E491-D522 PolarHBondContact OE1-N 3.49Å
492	A	92.3	Very high	92.5	Very high	15 Å²	15	48.2 Å²	48.2	12%	0.124	24%	0.236	C	C	.	.			trans	-52.3	118.9	170.6	0	0	0	0	0	111.3	T466 Q469 D489	T466-A492 HydrophobicContact CG2-CB 4.21Å; Q469-A492 PolarHBondContact NE2-O 3.28Å; D489-A492 HydrophobicContact CB-CB 4.26Å; D489-A492 PolarHBondContact OD1-N 3.44Å
493	E	92.9	Very high	92.5	Very high	81 Å²	81	47.7 Å²	47.7	38%	0.379	23%	0.233	S	C	.	.			trans	-89.4	142.7	179	-73.8	-169.6	-169	0	0	112.6	E491 R499	E491-E493 PolarHBondContact O-N 2.88Å; E493-R499 HydrophobicContact CG-CG 4.38Å; E493-R499 IonicContact OE1-CZ 2.66Å; E493-R499 IonicContact OE1-NH1 2.64Å; E493-R499 PolarHBondContact OE1-NH1 3.33Å; E493-R499 IonicContact OE1-NH2 2.65Å; E493-R499 PolarHBondContact OE1-NH2 2.92Å
494	D	90.6	Very high	92.5	Very high	19 Å²	19	47.8 Å²	47.8	10%	0.102	23%	0.234	C	C	.	.			trans	-84.8	-163	169.7	97.3	-49.2	0	0	0	112.6	D496 G497 D498 K528	D494-D496 VanDerWaalsContact CG-N 3.33Å; D494-D496 WeakPolarHBondContact OD1-CA 3.34Å; D494-D496 PolarHBondContact OD1-N 3Å; D494-D496 PolarHBondContact OD2-N 2.97Å; D494-D496 VanDerWaalsContact OD2-N 3.13Å; D494-G497 PolarHBondContact O-N 2.89Å; D494-G497 PolarHBondContact OD1-N 3.17Å; D494-D498 PolarHBondContact N-O 2.88Å; D494-D498 VanDerWaalsContact N-O 3.07Å; D494-D498 PolarHBondContact OD1-N 3.09Å; D494-K528 PolarHBondContact O-NZ 3.34Å
495	K	90	Very high	92.6	Very high	147 Å²	147	45.2 Å²	45.2	64%	0.639	22%	0.22	S	C	*	.	S	Bend	trans	-68.4	-34.7	175.8	-71.2	165.7	-177.2	162.1	0	113.7	A463 K528	A463-K495 PolarHBondContact O-NZ 2.7Å; K495-K528 VanDerWaalsContact C-NZ 3.32Å; K495-K528 PolarHBondContact O-NZ 3.03Å
496	D	89.6	Confident	92.6	Very high	70 Å²	70	40.8 Å²	40.8	37%	0.374	20%	0.201	S	C	.	.	S	Bend	trans	-89	-6.3	173.8	-83.1	-96.5	0	0	0	113.3	D494 K528 R529	D494-D496 VanDerWaalsContact CG-N 3.33Å; D494-D496 WeakPolarHBondContact OD1-CA 3.34Å; D494-D496 PolarHBondContact OD1-N 3Å; D494-D496 PolarHBondContact OD2-N 2.97Å; D494-D496 VanDerWaalsContact OD2-N 3.13Å; D496-K528 WeakPolarHBondContact O-CB 3.41Å; D496-K528 WeakPolarHBondContact O-CD 3.43Å; D496-K528 WeakPolarHBondContact O-CG 3.35Å; D496-K528 PolarHBondContact O-N 3.34Å; D496-R529 IonicContact OD1-CZ 3.76Å; D496-R529 IonicContact OD1-NE 3.98Å; D496-R529 IonicContact OD1-NH2 3.99Å; D496-R529 PolarHBondContact OD1-NH2 3.22Å; D496-R529 VanDerWaalsContact OD1-NH2 3.14Å
497	G	92.3	Very high	92.5	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.19	C	C	.	.			trans	90.7	12.7	179.8	0	0	0	0	0	114.1	D494 R499 N527 K528	D494-G497 PolarHBondContact O-N 2.89Å; D494-G497 PolarHBondContact OD1-N 3.17Å; G497-R499 PolarHBondContact O-NH1 3.26Å; G497-N527 WeakPolarHBondContact O-CA 3.38Å; G497-N527 WeakPolarHBondContact O-CB 3.47Å; G497-K528 VanDerWaalsContact CA-CE 3.47Å
498	D	95.3	Very high	92.6	Very high	13 Å²	13	35.2 Å²	35.2	7%	0.07	18%	0.177	C	C	.	.			trans	-75.9	138.9	176.8	-76.8	-25.4	0	0	0	110.2	Q469 D494 H502 F506 N527	Q469-D498 PolarHBondContact NE2-O 2.87Å; D494-D498 PolarHBondContact N-O 2.88Å; D494-D498 VanDerWaalsContact N-O 3.07Å; D494-D498 PolarHBondContact OD1-N 3.09Å; D498-H502 HydrophobicContact CB-CB 3.59Å; D498-H502 WeakPolarHBondContact OD1-CB 3.39Å; D498-H502 IonicContact OD1-CD2 2.72Å; D498-H502 PolarHBondContact OD1-CD2 2.79Å; D498-H502 VanDerWaalsContact OD1-CD2 3.32Å; D498-H502 IonicContact OD1-CG 3.79Å; D498-F506 WeakPolarHBondContact OD2-CE2 3.2Å; D498-N527 WeakPolarHBondContact OD1-CB 3.22Å; D498-N527 PolarHBondContact OD1-ND2 3.26Å
499	R	95.1	Very high	92.5	Very high	34 Å²	34	38.4 Å²	38.4	13%	0.128	19%	0.19	C	C	.	.			trans	-103.2	177.9	177.4	-68.4	162.1	169.7	58.9	11.8	110.8	E491 E493 G497 V501 H502 H503	E491-R499 VanDerWaalsContact OE2-CD 3.26Å; E491-R499 WeakPolarHBondContact OE2-CD 3.49Å; E491-R499 IonicContact OE2-CZ 3.62Å; E491-R499 IonicContact OE2-NE 3.73Å; E491-R499 PolarHBondContact OE2-NE 3.04Å; E491-R499 IonicContact OE2-NH2 3.67Å; E493-R499 HydrophobicContact CG-CG 4.38Å; E493-R499 IonicContact OE1-CZ 2.66Å; E493-R499 IonicContact OE1-NH1 2.64Å; E493-R499 PolarHBondContact OE1-NH1 3.33Å; E493-R499 IonicContact OE1-NH2 2.65Å; E493-R499 PolarHBondContact OE1-NH2 2.92Å; G497-R499 PolarHBondContact O-NH1 3.26Å; R499-V501 HydrophobicContact CB-CG2 3.93Å; R499-V501 PolarHBondContact O-N 3.38Å; R499-V501 VanDerWaalsContact O-N 3.1Å; R499-H502 VanDerWaalsContact CD-CE1 3.44Å; R499-H502 WeakPolarHBondContact CD-CE1 3.42Å; R499-H502 PolarHBondContact N-ND1 2.86Å; R499-H502 VanDerWaalsContact N-ND1 3.11Å; R499-H502 PolarHBondContact O-N 3.08Å; R499-H503 PolarHBondContact O-CD2 3.42Å; R499-H503 VanDerWaalsContact O-CD2 3.32Å; R499-H503 PolarHBondContact O-N 2.95Å
500	A	95.1	Very high	92.4	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.008	17%	0.172	C	C	.	.	H	α-helix	trans	-51.8	-34.7	173.1	0	0	0	0	0	113.2	M468 S472 A504 L516	M468-A500 HydrophobicContact CG-CB 4.19Å; S472-A500 WeakPolarHBondContact CB-O 3.36Å; S472-A500 PolarHBondContact OG-O 2.92Å; A500-A504 WeakPolarHBondContact O-CB 3.22Å; A500-A504 PolarHBondContact O-N 3.3Å; A500-L516 HydrophobicContact CB-CD1 4.36Å; A500-L516 HydrophobicContact CB-CD2 3.81Å; A500-L516 WeakPolarHBondContact O-CD1 3.21Å
501	V	95.8	Very high	92.4	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-72.2	-33.4	175.8	-70.4	0	0	0	0	114.1	R499 A505 L516 A521 L523 P533	R499-V501 HydrophobicContact CB-CG2 3.93Å; R499-V501 PolarHBondContact O-N 3.38Å; R499-V501 VanDerWaalsContact O-N 3.1Å; V501-A505 PolarHBondContact O-N 2.99Å; V501-A505 VanDerWaalsContact O-N 3.15Å; V501-L516 HydrophobicContact CB-CD1 4.49Å; V501-L516 HydrophobicContact CG1-CB 3.99Å; V501-L516 HydrophobicContact CG1-CD1 3.89Å; V501-A521 HydrophobicContact CG1-CB 3.53Å; V501-L523 HydrophobicContact CG1-CD2 3.96Å; V501-P533 HydrophobicContact CB-CG 3.91Å; V501-P533 HydrophobicContact CG2-CG 3.79Å
502	H	96.2	Very high	92.4	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-69.8	-44.9	172.7	-62.3	82.6	0	0	0	110.1	D498 R499 A504 A505 F506 A525 R526 N527 Q531 T532 I536	D498-H502 HydrophobicContact CB-CB 3.59Å; D498-H502 WeakPolarHBondContact OD1-CB 3.39Å; D498-H502 IonicContact OD1-CD2 2.72Å; D498-H502 PolarHBondContact OD1-CD2 2.79Å; D498-H502 VanDerWaalsContact OD1-CD2 3.32Å; D498-H502 IonicContact OD1-CG 3.79Å; R499-H502 VanDerWaalsContact CD-CE1 3.44Å; R499-H502 WeakPolarHBondContact CD-CE1 3.42Å; R499-H502 PolarHBondContact N-ND1 2.86Å; R499-H502 VanDerWaalsContact N-ND1 3.11Å; R499-H502 PolarHBondContact O-N 3.08Å; H502-A504 VanDerWaalsContact C-N 3.34Å; H502-A504 PolarHBondContact O-N 3.02Å; H502-A505 CarbonylContact O-C 3.49Å; H502-A505 WeakPolarHBondContact O-CA 3.36Å; H502-A505 PolarHBondContact O-N 2.84Å; H502-F506 WeakPolarHBondContact O-CD2 3.38Å; H502-F506 PolarHBondContact O-N 2.75Å; H502-A525 WeakPolarHBondContact CE1-CB 3.28Å; H502-A525 PolarHBondContact CE1-O 3.03Å; H502-A525 VanDerWaalsContact NE2-C 3.27Å; H502-A525 PolarHBondContact NE2-O 2.87Å; H502-R526 PolarHBondContact CE1-N 3.44Å; H502-R526 WeakPolarHBondContact NE2-CA 3.42Å; H502-N527 PolarHBondContact NE2-N 2.83Å; H502-N527 VanDerWaalsContact NE2-N 3.15Å; H502-Q531 PolarHBondContact NE2-O 3.28Å; H502-T532 WeakPolarHBondContact NE2-CA 3.5Å; H502-I536 HydrophobicContact CB-CD1 3.81Å
503	H	94.4	Very high	92.6	Very high	7 Å²	7	32.3 Å²	32.3	3%	0.032	16%	0.162	C	C	.	.	H	α-helix	trans	-57.5	-43.2	172.9	-80.7	-78.1	0	0	0	112.6	H465 Q469 Q473 R499 A505 F506	H465-H503 AromaticContact CD2-CE1 3.53Å; H465-H503 AromaticContact CD2-NE2 3.77Å; H465-H503 AromaticContact NE2-CE1 3.97Å; Q469-H503 HydrophobicContact CB-CB 4.39Å; Q469-H503 WeakPolarHBondContact O-CB 3.43Å; Q473-H503 WeakPolarHBondContact CA-O 3.21Å; Q473-H503 HydrophobicContact CB-CB 4.19Å; Q473-H503 PolarHBondContact OE1-ND1 3.37Å; R499-H503 PolarHBondContact O-CD2 3.42Å; R499-H503 VanDerWaalsContact O-CD2 3.32Å; R499-H503 PolarHBondContact O-N 2.95Å; H503-A505 VanDerWaalsContact C-N 3.3Å; H503-A505 PolarHBondContact O-N 2.9Å; H503-F506 WeakPolarHBondContact O-CB 3.46Å; H503-F506 PolarHBondContact O-N 2.82Å; H503-F506 VanDerWaalsContact O-N 3.11Å
504	A	94.8	Very high	92.7	Very high	2 Å²	2	31.7 Å²	31.7	2%	0.017	16%	0.159	C	C	.	.	H	α-helix	trans	-57.5	-41.3	172.3	0	0	0	0	0	112.6	A500 H502 F506 G507 V512 I513 L516	A500-A504 WeakPolarHBondContact O-CB 3.22Å; A500-A504 PolarHBondContact O-N 3.3Å; H502-A504 VanDerWaalsContact C-N 3.34Å; H502-A504 PolarHBondContact O-N 3.02Å; A504-F506 PolarHBondContact O-N 2.93Å; A504-G507 CarbonylContact O-C 3.5Å; A504-G507 PolarHBondContact O-N 3.47Å; A504-G507 VanDerWaalsContact O-O 3.05Å; A504-V512 HydrophobicContact CB-CB 4.26Å; A504-V512 HydrophobicContact CB-CG1 3.41Å; A504-V512 VanDerWaalsContact CB-CG1 3.41Å; A504-I513 HydrophobicContact CB-CD1 3.54Å; A504-L516 HydrophobicContact CB-CD1 3.64Å
505	A	94.6	Very high	92.9	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-72.8	-9.1	177.5	0	0	0	0	0	115.1	V501 H502 H503 P533 I536 A537 H542 V545	V501-A505 PolarHBondContact O-N 2.99Å; V501-A505 VanDerWaalsContact O-N 3.15Å; H502-A505 CarbonylContact O-C 3.49Å; H502-A505 WeakPolarHBondContact O-CA 3.36Å; H502-A505 PolarHBondContact O-N 2.84Å; H503-A505 VanDerWaalsContact C-N 3.3Å; H503-A505 PolarHBondContact O-N 2.9Å; A505-P533 HydrophobicContact CB-CB 3.93Å; A505-P533 VanDerWaalsContact CB-O 3.25Å; A505-P533 WeakPolarHBondContact CB-O 3.47Å; A505-I536 HydrophobicContact CB-CB 4.06Å; A505-I536 HydrophobicContact CB-CG2 4.14Å; A505-I536 WeakPolarHBondContact O-CG2 3.27Å; A505-A537 HydrophobicContact CB-CB 4.28Å; A505-H542 PolarHBondContact O-CD2 3.2Å; A505-V545 HydrophobicContact CB-CG1 4.32Å
506	F	91.6	Very high	93.1	Very high	66 Å²	66	24.4 Å²	24.4	29%	0.289	13%	0.127	S	C	.	.	H	α-helix	trans	-78.6	-25.1	164.8	-77.4	-82.3	0	0	0	112.6	Q473 D498 H502 H503 A504 I536 K540 H542	Q473-F506 HydrophobicContact CG-CB 4.17Å; D498-F506 WeakPolarHBondContact OD2-CE2 3.2Å; H502-F506 WeakPolarHBondContact O-CD2 3.38Å; H502-F506 PolarHBondContact O-N 2.75Å; H503-F506 WeakPolarHBondContact O-CB 3.46Å; H503-F506 PolarHBondContact O-N 2.82Å; H503-F506 VanDerWaalsContact O-N 3.11Å; A504-F506 PolarHBondContact O-N 2.93Å; F506-I536 HydrophobicContact CD1-CG2 3.98Å; F506-I536 HydrophobicContact CD2-CD1 4.46Å; F506-I536 HydrophobicContact CD2-CG2 3.97Å; F506-I536 HydrophobicContact CE1-CG2 4Å; F506-I536 HydrophobicContact CE2-CD1 3.83Å; F506-I536 HydrophobicContact CE2-CG2 4.01Å; F506-I536 HydrophobicContact CG-CG2 3.95Å; F506-I536 HydrophobicContact CZ-CD1 4.19Å; F506-I536 HydrophobicContact CZ-CG2 4.01Å; F506-K540 HydrophobicContact CD1-CD 4.33Å; F506-H542 PolarHBondContact O-NE2 3.46Å
507	G	86.4	Confident	93.4	Very high	13 Å²	13	24.6 Å²	24.6	13%	0.134	13%	0.126	C	C	.	.	S	Bend	trans	-89.1	163.4	170.4	0	0	0	0	0	112.3	A504 H542 V545	A504-G507 CarbonylContact O-C 3.5Å; A504-G507 PolarHBondContact O-N 3.47Å; A504-G507 VanDerWaalsContact O-O 3.05Å; G507-H542 PolarHBondContact O-CD2 2.79Å; G507-V545 WeakPolarHBondContact O-CG2 3.4Å
508	D	87.3	Confident	93.4	Very high	97 Å²	97	33.2 Å²	33.2	52%	0.519	16%	0.158	S	C	.	.	S	Bend	trans	-96.5	5.1	-178.4	-161.3	21.5	0	0	0	112.7	G510 H542	D508-G510 PolarHBondContact O-N 2.99Å; D508-H542 HydrophobicContact CB-CB 4.45Å; D508-H542 VanDerWaalsContact OD1-CA 3.24Å; D508-H542 WeakPolarHBondContact OD1-CA 3.35Å; D508-H542 VanDerWaalsContact OD1-CB 3.26Å; D508-H542 WeakPolarHBondContact OD1-CB 3.39Å; D508-H542 IonicContact OD1-CG 3.19Å; D508-H542 IonicContact OD1-ND1 3.67Å
509	E	90.1	Very high	93.2	Very high	88 Å²	88	34.2 Å²	34.2	41%	0.411	17%	0.172	S	C	.	.			trans	-92.9	90.9	-171	-176	45.7	-105.8	0	0	111.9	S511 V512	E509-S511 VanDerWaalsContact CD-OG 3.26Å; E509-S511 PolarHBondContact O-N 3.27Å; E509-S511 VanDerWaalsContact O-N 3.13Å; E509-S511 WeakPolarHBondContact OE1-CB 3.44Å; E509-S511 PolarHBondContact OE1-N 2.6Å; E509-S511 VanDerWaalsContact OE1-N 3.08Å; E509-S511 PolarHBondContact OE1-OG 2.99Å; E509-V512 HydrophobicContact CB-CG2 4.26Å; E509-V512 HydrophobicContact CG-CG2 4.07Å; E509-V512 WeakPolarHBondContact O-CB 3.46Å; E509-V512 PolarHBondContact O-N 2.89Å; E509-V512 VanDerWaalsContact O-N 3.07Å
510	G	88.6	Confident	93	Very high	3 Å²	3	35.7 Å²	35.7	3%	0.031	20%	0.197	C	C	.	.	H	α-helix	trans	-56.5	-28	-177.6	0	0	0	0	0	114.7	D508 V512 I513 E514	D508-G510 PolarHBondContact O-N 2.99Å; G510-V512 PolarHBondContact O-N 3.33Å; G510-I513 WeakPolarHBondContact O-CB 3.32Å; G510-I513 PolarHBondContact O-N 2.86Å; G510-E514 PolarHBondContact O-N 2.89Å
511	S	93.3	Very high	93	Very high	37 Å²	37	35.9 Å²	35.9	26%	0.259	20%	0.199	S	C	.	.	H	α-helix	trans	-67.4	-18.2	178.4	64.5	0	0	0	0	113.8	V477 E509 E514 V515	V477-S511 VanDerWaalsContact CG2-OG 3.3Å; V477-S511 WeakPolarHBondContact CG2-OG 3.38Å; E509-S511 VanDerWaalsContact CD-OG 3.26Å; E509-S511 PolarHBondContact O-N 3.27Å; E509-S511 VanDerWaalsContact O-N 3.13Å; E509-S511 WeakPolarHBondContact OE1-CB 3.44Å; E509-S511 PolarHBondContact OE1-N 2.6Å; E509-S511 VanDerWaalsContact OE1-N 3.08Å; E509-S511 PolarHBondContact OE1-OG 2.99Å; S511-E514 PolarHBondContact O-N 3.47Å; S511-V515 WeakPolarHBondContact O-CG2 3.44Å; S511-V515 PolarHBondContact O-N 3.16Å
512	V	94.9	Very high	92.9	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.006	22%	0.218	C	C	.	.	H	α-helix	trans	-65	-41.4	168.6	174.2	0	0	0	0	111.1	V477 L480 A504 E509 G510 E514 V515 L516	V477-V512 HydrophobicContact CG2-CG2 4.27Å; L480-V512 HydrophobicContact CD1-CB 4.25Å; L480-V512 HydrophobicContact CD1-CG1 3.74Å; L480-V512 HydrophobicContact CD1-CG2 3.83Å; A504-V512 HydrophobicContact CB-CB 4.26Å; A504-V512 HydrophobicContact CB-CG1 3.41Å; A504-V512 VanDerWaalsContact CB-CG1 3.41Å; E509-V512 HydrophobicContact CB-CG2 4.26Å; E509-V512 HydrophobicContact CG-CG2 4.07Å; E509-V512 WeakPolarHBondContact O-CB 3.46Å; E509-V512 PolarHBondContact O-N 2.89Å; E509-V512 VanDerWaalsContact O-N 3.07Å; G510-V512 PolarHBondContact O-N 3.33Å; V512-E514 VanDerWaalsContact C-N 3.32Å; V512-E514 PolarHBondContact O-N 3.11Å; V512-V515 PolarHBondContact O-N 2.98Å; V512-L516 HydrophobicContact CG1-CD1 3.79Å; V512-L516 HydrophobicContact CG1-CG 4.26Å; V512-L516 WeakPolarHBondContact O-CG 3.43Å; V512-L516 PolarHBondContact O-N 2.65Å
513	I	96	Very high	92.9	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-63.1	-41.3	178.6	-58.6	-61.9	0	0	0	110.5	A504 G510 V515 L516 H517 L523 V545 T548 L549 F552	A504-I513 HydrophobicContact CB-CD1 3.54Å; G510-I513 WeakPolarHBondContact O-CB 3.32Å; G510-I513 PolarHBondContact O-N 2.86Å; I513-V515 VanDerWaalsContact C-N 3.34Å; I513-V515 PolarHBondContact O-N 3.18Å; I513-L516 PolarHBondContact O-N 3.17Å; I513-H517 WeakPolarHBondContact O-CB 3.3Å; I513-H517 PolarHBondContact O-N 2.94Å; I513-L523 HydrophobicContact CG2-CD1 4.39Å; I513-L523 HydrophobicContact CG2-CD2 3.98Å; I513-V545 HydrophobicContact CD1-CG1 4.3Å; I513-V545 HydrophobicContact CG1-CG1 4.01Å; I513-T548 HydrophobicContact CB-CG2 4.12Å; I513-T548 HydrophobicContact CG2-CG2 4.2Å; I513-L549 HydrophobicContact CD1-CD2 4.18Å; I513-L549 HydrophobicContact CD1-CG 4.5Å; I513-L549 HydrophobicContact CG1-CG 4.47Å; I513-L549 HydrophobicContact CG2-CD2 3.76Å; I513-L549 HydrophobicContact CG2-CG 4.16Å; I513-F552 HydrophobicContact CG2-CD2 4.23Å
514	E	94.1	Very high	92.9	Very high	67 Å²	67	41.8 Å²	41.8	31%	0.313	23%	0.231	S	C	.	.	H	α-helix	trans	-59.8	-41	174.4	178.6	-178.6	170.9	0	0	112.4	G510 S511 V512 R518 F552	G510-E514 PolarHBondContact O-N 2.89Å; S511-E514 PolarHBondContact O-N 3.47Å; V512-E514 VanDerWaalsContact C-N 3.32Å; V512-E514 PolarHBondContact O-N 3.11Å; E514-R518 WeakPolarHBondContact O-CB 3.29Å; E514-R518 WeakPolarHBondContact O-CG 3.24Å; E514-R518 PolarHBondContact O-N 2.83Å; E514-R518 VanDerWaalsContact O-N 3.1Å; E514-R518 IonicContact OE1-CZ 3.21Å; E514-R518 IonicContact OE1-NH1 2.75Å; E514-R518 PolarHBondContact OE1-NH1 3.48Å; E514-R518 IonicContact OE1-NH2 2.82Å; E514-R518 PolarHBondContact OE1-NH2 3.09Å; E514-F552 HydrophobicContact CB-CE2 3.83Å; E514-F552 HydrophobicContact CB-CZ 3.96Å; E514-F552 HydrophobicContact CG-CE2 4.31Å; E514-F552 HydrophobicContact CG-CZ 3.91Å
515	V	95.2	Very high	92.9	Very high	14 Å²	14	42 Å²	42	9%	0.085	23%	0.232	C	C	.	.	H	α-helix	trans	-69.7	-43.1	177.2	171.7	0	0	0	0	111.8	V477 L480 K481 L484 S511 V512 I513 R518 G519	V477-V515 HydrophobicContact CG1-CG2 4.36Å; L480-V515 HydrophobicContact CB-CG1 3.9Å; K481-V515 HydrophobicContact CG-CG1 4.47Å; L484-V515 HydrophobicContact CD1-CG1 3.55Å; S511-V515 WeakPolarHBondContact O-CG2 3.44Å; S511-V515 PolarHBondContact O-N 3.16Å; V512-V515 PolarHBondContact O-N 2.98Å; I513-V515 VanDerWaalsContact C-N 3.34Å; I513-V515 PolarHBondContact O-N 3.18Å; V515-R518 PolarHBondContact O-N 3.1Å; V515-G519 PolarHBondContact O-N 3.31Å
516	L	94.9	Very high	93	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-67.7	-40	177.8	-69.4	171.5	0	0	0	112.6	M468 L490 A500 V501 A504 V512 I513 G519 G520 A521	M468-L516 HydrophobicContact CE-CD2 3.69Å; L490-L516 HydrophobicContact CD2-CD2 4.04Å; A500-L516 HydrophobicContact CB-CD1 4.36Å; A500-L516 HydrophobicContact CB-CD2 3.81Å; A500-L516 WeakPolarHBondContact O-CD1 3.21Å; V501-L516 HydrophobicContact CB-CD1 4.49Å; V501-L516 HydrophobicContact CG1-CB 3.99Å; V501-L516 HydrophobicContact CG1-CD1 3.89Å; A504-L516 HydrophobicContact CB-CD1 3.64Å; V512-L516 HydrophobicContact CG1-CD1 3.79Å; V512-L516 HydrophobicContact CG1-CG 4.26Å; V512-L516 WeakPolarHBondContact O-CG 3.43Å; V512-L516 PolarHBondContact O-N 2.65Å; I513-L516 PolarHBondContact O-N 3.17Å; L516-G519 CarbonylContact O-C 3.59Å; L516-G519 WeakPolarHBondContact O-CA 3.36Å; L516-G519 PolarHBondContact O-N 3.37Å; L516-G520 PolarHBondContact O-N 2.89Å; L516-G520 VanDerWaalsContact O-N 3.13Å; L516-A521 HydrophobicContact CB-CB 4.3Å; L516-A521 PolarHBondContact O-N 2.89Å; L516-A521 VanDerWaalsContact O-N 3.13Å
517	H	94.8	Very high	93.2	Very high	74 Å²	74	43.4 Å²	43.4	34%	0.343	24%	0.236	S	C	.	.	H	α-helix	trans	-62.5	-43.2	174.8	179.5	56.8	0	0	0	111.4	I513 G519 G520 L523 F552	I513-H517 WeakPolarHBondContact O-CB 3.3Å; I513-H517 PolarHBondContact O-N 2.94Å; H517-G519 PolarHBondContact O-N 3.47Å; H517-G520 PolarHBondContact O-N 2.97Å; H517-L523 HydrophobicContact CB-CD1 4.23Å; H517-L523 HydrophobicContact CB-CD2 4.41Å; H517-F552 HydrophobicContact CB-CD2 4.36Å; H517-F552 AromaticContact CD2-CD1 3.42Å; H517-F552 VanDerWaalsContact CD2-CD1 3.42Å; H517-F552 WeakPolarHBondContact CD2-CD1 3.44Å; H517-F552 AromaticContact CD2-CE1 3.88Å; H517-F552 AromaticContact CD2-CG 3.58Å; H517-F552 AromaticContact NE2-CD1 3.72Å
518	R	93.1	Very high	93.6	Very high	181 Å²	181	48.7 Å²	48.7	68%	0.683	26%	0.256	S	S	*	.	H	α-helix	trans	-65.3	-25.8	171.1	-75.5	-174.8	-176.6	126.1	10.9	113.8	E514 V515 G520	E514-R518 WeakPolarHBondContact O-CB 3.29Å; E514-R518 WeakPolarHBondContact O-CG 3.24Å; E514-R518 PolarHBondContact O-N 2.83Å; E514-R518 VanDerWaalsContact O-N 3.1Å; E514-R518 IonicContact OE1-CZ 3.21Å; E514-R518 IonicContact OE1-NH1 2.75Å; E514-R518 PolarHBondContact OE1-NH1 3.48Å; E514-R518 IonicContact OE1-NH2 2.82Å; E514-R518 PolarHBondContact OE1-NH2 3.09Å; V515-R518 PolarHBondContact O-N 3.1Å; R518-G520 VanDerWaalsContact C-N 3.26Å
519	G	90.3	Very high	93.9	Very high	34 Å²	34	50.6 Å²	50.6	35%	0.351	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-12.8	169.8	0	0	0	0	0	114.2	L490 V515 L516 H517	L490-G519 WeakPolarHBondContact CD1-O 2.95Å; V515-G519 PolarHBondContact O-N 3.31Å; L516-G519 CarbonylContact O-C 3.59Å; L516-G519 WeakPolarHBondContact O-CA 3.36Å; L516-G519 PolarHBondContact O-N 3.37Å; H517-G519 PolarHBondContact O-N 3.47Å
520	G	91.2	Very high	94.2	Very high	64 Å²	64	53.4 Å²	53.4	66%	0.66	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	94	12.9	178.6	0	0	0	0	0	115.7	L516 H517 R518	L516-G520 PolarHBondContact O-N 2.89Å; L516-G520 VanDerWaalsContact O-N 3.13Å; H517-G520 PolarHBondContact O-N 2.97Å; R518-G520 VanDerWaalsContact C-N 3.26Å
521	A	94.7	Very high	94.6	Very high	6 Å²	6	55 Å²	55	5%	0.05	27%	0.269	C	S	.	.			trans	-69.6	144.8	179.4	0	0	0	0	0	113.2	L490 E491 V501 L516 L523	L490-A521 HydrophobicContact CB-CB 3.93Å; L490-A521 HydrophobicContact CD1-CB 3.94Å; E491-A521 WeakPolarHBondContact OE1-CA 3.49Å; V501-A521 HydrophobicContact CG1-CB 3.53Å; L516-A521 HydrophobicContact CB-CB 4.3Å; L516-A521 PolarHBondContact O-N 2.89Å; L516-A521 VanDerWaalsContact O-N 3.13Å; A521-L523 PolarHBondContact O-N 2.9Å
522	D	94.8	Very high	94.7	Very high	73 Å²	73	53.2 Å²	53.2	39%	0.39	26%	0.257	S	S	.	.			trans	-78.7	105.7	179.6	178.8	22.7	0	0	0	112.5	E491 N524 A525	E491-D522 PolarHBondContact OE1-N 3.49Å; D522-N524 PolarHBondContact O-N 2.76Å; D522-N524 VanDerWaalsContact O-N 3.16Å; D522-N524 WeakPolarHBondContact OD1-CA 3.29Å; D522-N524 WeakPolarHBondContact OD1-CB 3.31Å; D522-N524 PolarHBondContact OD1-N 3.44Å; D522-A525 HydrophobicContact CB-CB 4.12Å; D522-A525 VanDerWaalsContact O-CB 3.23Å; D522-A525 WeakPolarHBondContact O-CB 3.3Å; D522-A525 PolarHBondContact O-N 2.93Å; D522-A525 VanDerWaalsContact O-N 3.09Å; D522-A525 WeakPolarHBondContact OD2-CA 3.33Å; D522-A525 PolarHBondContact OD2-N 3.09Å; D522-A525 VanDerWaalsContact OD2-N 3.15Å
523	L	95.4	Very high	94.8	Very high	7 Å²	7	53.1 Å²	53.1	4%	0.037	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-12.7	175.6	-55.3	-174.9	0	0	0	113.7	V501 I513 H517 A521 L549 F552 C554	V501-L523 HydrophobicContact CG1-CD2 3.96Å; I513-L523 HydrophobicContact CG2-CD1 4.39Å; I513-L523 HydrophobicContact CG2-CD2 3.98Å; H517-L523 HydrophobicContact CB-CD1 4.23Å; H517-L523 HydrophobicContact CB-CD2 4.41Å; A521-L523 PolarHBondContact O-N 2.9Å; L523-L549 HydrophobicContact CB-CD2 4.17Å; L523-L549 HydrophobicContact CD1-CD2 4.36Å; L523-L549 HydrophobicContact CD2-CD2 4.05Å; L523-L549 HydrophobicContact CG-CD2 4.42Å; L523-F552 HydrophobicContact CD1-CB 3.54Å; L523-F552 HydrophobicContact CD1-CD2 4.46Å; L523-F552 HydrophobicContact CD1-CG 4.41Å; L523-C554 HydrophobicContact CB-CB 4.43Å; L523-C554 PolarHBondContact O-SG 3Å
524	N	95.6	Very high	94.9	Very high	50 Å²	50	53.1 Å²	53.1	27%	0.267	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	2.3	175.4	-63.5	-68.4	0	0	0	113.4	D522 H555 L558	D522-N524 PolarHBondContact O-N 2.76Å; D522-N524 VanDerWaalsContact O-N 3.16Å; D522-N524 WeakPolarHBondContact OD1-CA 3.29Å; D522-N524 WeakPolarHBondContact OD1-CB 3.31Å; D522-N524 PolarHBondContact OD1-N 3.44Å; N524-H555 WeakPolarHBondContact OD1-CB 3.38Å; N524-H555 PolarHBondContact OD1-N 3.44Å; N524-L558 HydrophobicContact CB-CD1 3.96Å
525	A	95	Very high	95	Very high	6 Å²	6	50 Å²	50	5%	0.05	24%	0.241	C	C	.	.			trans	-57.9	146.4	-177.3	0	0	0	0	0	112.2	H502 D522 T532 P533	H502-A525 WeakPolarHBondContact CE1-CB 3.28Å; H502-A525 PolarHBondContact CE1-O 3.03Å; H502-A525 VanDerWaalsContact NE2-C 3.27Å; H502-A525 PolarHBondContact NE2-O 2.87Å; D522-A525 HydrophobicContact CB-CB 4.12Å; D522-A525 VanDerWaalsContact O-CB 3.23Å; D522-A525 WeakPolarHBondContact O-CB 3.3Å; D522-A525 PolarHBondContact O-N 2.93Å; D522-A525 VanDerWaalsContact O-N 3.09Å; D522-A525 WeakPolarHBondContact OD2-CA 3.33Å; D522-A525 PolarHBondContact OD2-N 3.09Å; D522-A525 VanDerWaalsContact OD2-N 3.15Å; A525-T532 WeakPolarHBondContact O-CA 3.49Å; A525-P533 WeakPolarHBondContact O-CD 3.28Å
526	R	95.9	Very high	95	Very high	87 Å²	87	49.6 Å²	49.6	33%	0.328	24%	0.239	S	C	.	.			trans	-122.4	123.7	-173	-72.1	171.4	79.8	-177.1	1	110.7	H502 R530 Q531 T532 Q559	H502-R526 PolarHBondContact CE1-N 3.44Å; H502-R526 WeakPolarHBondContact NE2-CA 3.42Å; R526-R530 WeakPolarHBondContact CG-O 3.18Å; R526-R530 PolarHBondContact NE-O 2.83Å; R526-Q531 WeakPolarHBondContact CA-O 3.15Å; R526-T532 HydrophobicContact CG-CG2 3.64Å; R526-Q559 PolarHBondContact NE-O 3.14Å; R526-Q559 PolarHBondContact NH2-O 3.22Å
527	N	95.3	Very high	95	Very high	9 Å²	9	49.6 Å²	49.6	5%	0.048	24%	0.239	C	C	.	.			trans	-73.2	-173.1	177.8	71.5	11.3	0	0	0	112.1	G497 D498 H502 R529 R530 Q531	G497-N527 WeakPolarHBondContact O-CA 3.38Å; G497-N527 WeakPolarHBondContact O-CB 3.47Å; D498-N527 WeakPolarHBondContact OD1-CB 3.22Å; D498-N527 PolarHBondContact OD1-ND2 3.26Å; H502-N527 PolarHBondContact NE2-N 2.83Å; H502-N527 VanDerWaalsContact NE2-N 3.15Å; N527-R529 PolarHBondContact O-N 3.01Å; N527-R529 WeakPolarHBondContact OD1-CA 3.22Å; N527-R529 WeakPolarHBondContact OD1-CB 3.39Å; N527-R529 PolarHBondContact OD1-N 2.77Å; N527-R530 VanDerWaalsContact O-CA 3.28Å; N527-R530 WeakPolarHBondContact O-CA 3.5Å; N527-R530 PolarHBondContact O-N 2.71Å; N527-R530 PolarHBondContact OD1-N 2.9Å; N527-Q531 PolarHBondContact N-O 2.84Å; N527-Q531 VanDerWaalsContact N-O 3.07Å; N527-Q531 PolarHBondContact OD1-N 3Å
528	K	95.2	Very high	95	Very high	124 Å²	124	46.1 Å²	46.1	54%	0.539	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-17.9	-177	-64.1	161.2	-161.3	161.5	0	113.2	D494 K495 D496 G497 R530	D494-K528 PolarHBondContact O-NZ 3.34Å; K495-K528 VanDerWaalsContact C-NZ 3.32Å; K495-K528 PolarHBondContact O-NZ 3.03Å; D496-K528 WeakPolarHBondContact O-CB 3.41Å; D496-K528 WeakPolarHBondContact O-CD 3.43Å; D496-K528 WeakPolarHBondContact O-CG 3.35Å; D496-K528 PolarHBondContact O-N 3.34Å; G497-K528 VanDerWaalsContact CA-CE 3.47Å; K528-R530 VanDerWaalsContact C-N 3.27Å
529	R	93.9	Very high	95.1	Very high	137 Å²	137	39.5 Å²	39.5	52%	0.517	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	10	168.8	-53.2	-179.5	-169.1	-138.5	0.5	112.7	D496 N527 Q531 S561	D496-R529 IonicContact OD1-CZ 3.76Å; D496-R529 IonicContact OD1-NE 3.98Å; D496-R529 IonicContact OD1-NH2 3.99Å; D496-R529 PolarHBondContact OD1-NH2 3.22Å; D496-R529 VanDerWaalsContact OD1-NH2 3.14Å; N527-R529 PolarHBondContact O-N 3.01Å; N527-R529 WeakPolarHBondContact OD1-CA 3.22Å; N527-R529 WeakPolarHBondContact OD1-CB 3.39Å; N527-R529 PolarHBondContact OD1-N 2.77Å; R529-Q531 HydrophobicContact CB-CG 4.06Å; R529-Q531 PolarHBondContact O-N 3.46Å; R529-Q531 VanDerWaalsContact O-N 3.11Å; R529-S561 WeakPolarHBondContact O-CB 3.48Å; R529-S561 PolarHBondContact O-N 3.44Å
530	R	95.6	Very high	95.2	Very high	147 Å²	147	42.5 Å²	42.5	56%	0.555	21%	0.205	S	C	*	.			trans	59.7	11.3	-174.3	-71	170.4	171.8	-98	-2.2	114.9	R526 N527 K528 D560	R526-R530 WeakPolarHBondContact CG-O 3.18Å; R526-R530 PolarHBondContact NE-O 2.83Å; N527-R530 VanDerWaalsContact O-CA 3.28Å; N527-R530 WeakPolarHBondContact O-CA 3.5Å; N527-R530 PolarHBondContact O-N 2.71Å; N527-R530 PolarHBondContact OD1-N 2.9Å; K528-R530 VanDerWaalsContact C-N 3.27Å; R530-D560 VanDerWaalsContact CB-C 3.49Å; R530-D560 WeakPolarHBondContact CB-O 3.39Å
531	Q	96.9	Very high	95.2	Very high	36 Å²	36	40.2 Å²	40.2	17%	0.168	18%	0.181	C	C	.	.			trans	-78.1	140.4	-178.6	-65.1	-178.6	-60.9	0	0	111.1	H502 R526 N527 R529 H535 D560	H502-Q531 PolarHBondContact NE2-O 3.28Å; R526-Q531 WeakPolarHBondContact CA-O 3.15Å; N527-Q531 PolarHBondContact N-O 2.84Å; N527-Q531 VanDerWaalsContact N-O 3.07Å; N527-Q531 PolarHBondContact OD1-N 3Å; R529-Q531 HydrophobicContact CB-CG 4.06Å; R529-Q531 PolarHBondContact O-N 3.46Å; R529-Q531 VanDerWaalsContact O-N 3.11Å; Q531-H535 HydrophobicContact CB-CB 4.16Å; Q531-H535 HydrophobicContact CG-CB 4.47Å; Q531-D560 HydrophobicContact CG-CB 3.76Å
532	T	97	Very high	95.2	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	19%	0.186	C	C	.	.			trans	-93.2	163.6	173.1	67	0	0	0	0	111.2	H502 A525 R526 L534 H535 I536 L558	H502-T532 WeakPolarHBondContact NE2-CA 3.5Å; A525-T532 WeakPolarHBondContact O-CA 3.49Å; R526-T532 HydrophobicContact CG-CG2 3.64Å; T532-L534 PolarHBondContact O-N 2.92Å; T532-L534 VanDerWaalsContact O-N 3.11Å; T532-L534 PolarHBondContact OG1-N 3.06Å; T532-H535 PolarHBondContact N-ND1 3.43Å; T532-H535 WeakPolarHBondContact O-CB 3.5Å; T532-H535 PolarHBondContact O-N 3.49Å; T532-H535 PolarHBondContact OG1-ND1 3.19Å; T532-I536 PolarHBondContact O-N 2.95Å; T532-L558 HydrophobicContact CG2-CB 4.07Å; T532-L558 HydrophobicContact CG2-CD1 3.76Å
533	P	96.3	Very high	95.1	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-50	-35.7	170.9	-29.5	37.1	0	0	0	113.1	V501 A505 A525 I536 A537 L549	V501-P533 HydrophobicContact CB-CG 3.91Å; V501-P533 HydrophobicContact CG2-CG 3.79Å; A505-P533 HydrophobicContact CB-CB 3.93Å; A505-P533 VanDerWaalsContact CB-O 3.25Å; A505-P533 WeakPolarHBondContact CB-O 3.47Å; A525-P533 WeakPolarHBondContact O-CD 3.28Å; P533-I536 PolarHBondContact O-N 3.21Å; P533-A537 WeakPolarHBondContact O-CB 3.24Å; P533-A537 PolarHBondContact O-N 2.83Å; P533-L549 HydrophobicContact CB-CD1 4.08Å; P533-L549 HydrophobicContact CB-CD2 4.16Å
534	L	97	Very high	95	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-65	-37.9	177.2	-173.2	61.5	0	0	0	113.2	T532 I536 V538 V546 L549 L550 P566 L582	T532-L534 PolarHBondContact O-N 2.92Å; T532-L534 VanDerWaalsContact O-N 3.11Å; T532-L534 PolarHBondContact OG1-N 3.06Å; L534-I536 VanDerWaalsContact C-N 3.33Å; L534-V538 HydrophobicContact CD1-CG2 4.5Å; L534-V538 VanDerWaalsContact O-CG2 3.29Å; L534-V538 WeakPolarHBondContact O-CG2 3.48Å; L534-V538 PolarHBondContact O-N 3.05Å; L534-V538 VanDerWaalsContact O-N 3.1Å; L534-V546 HydrophobicContact CD1-CB 4.44Å; L534-V546 HydrophobicContact CD1-CG1 4.02Å; L534-V546 HydrophobicContact CD1-CG2 4.44Å; L534-L549 HydrophobicContact CB-CD1 4.23Å; L534-L549 HydrophobicContact CD1-CB 4.37Å; L534-L549 HydrophobicContact CD1-CD1 4.26Å; L534-L550 HydrophobicContact CD1-CD1 4.43Å; L534-L550 HydrophobicContact CD1-CD2 4.39Å; L534-L550 HydrophobicContact CD1-CG 4.23Å; L534-L550 HydrophobicContact CD2-CD2 3.77Å; L534-L550 HydrophobicContact CD2-CG 4.49Å; L534-P566 HydrophobicContact CB-CG 4.38Å; L534-P566 HydrophobicContact CD2-CB 4.21Å; L534-P566 HydrophobicContact CD2-CG 3.92Å; L534-P566 HydrophobicContact CG-CB 4.01Å; L534-P566 HydrophobicContact CG-CG 3.92Å; L534-L582 HydrophobicContact CD1-CD2 4.35Å; L534-L582 HydrophobicContact CD2-CD2 4.04Å; L534-L582 HydrophobicContact CG-CD2 4.39Å
535	H	96.1	Very high	95	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-63	-41.3	172.4	-68.4	80.4	0	0	0	111	Q531 T532 N539 L558 D564 P566 D569	Q531-H535 HydrophobicContact CB-CB 4.16Å; Q531-H535 HydrophobicContact CG-CB 4.47Å; T532-H535 PolarHBondContact N-ND1 3.43Å; T532-H535 WeakPolarHBondContact O-CB 3.5Å; T532-H535 PolarHBondContact O-N 3.49Å; T532-H535 PolarHBondContact OG1-ND1 3.19Å; H535-N539 VanDerWaalsContact O-CB 3.26Å; H535-N539 WeakPolarHBondContact O-CB 3.44Å; H535-N539 PolarHBondContact O-N 2.82Å; H535-N539 PolarHBondContact O-ND2 2.86Å; H535-L558 PolarHBondContact CE1-O 3.16Å; H535-L558 PolarHBondContact NE2-O 3.45Å; H535-D564 PolarHBondContact NE2-O 2.99Å; H535-P566 WeakPolarHBondContact NE2-CD 3.43Å; H535-D569 IonicContact CD2-OD2 3.68Å; H535-D569 PolarHBondContact CD2-OD2 2.86Å; H535-D569 IonicContact CG-OD2 3.93Å
536	I	95.6	Very high	95	Very high	7 Å²	7	42.2 Å²	42.2	4%	0.036	19%	0.185	C	C	.	.	H	α-helix	trans	-66	-49.3	-180	-59.9	177.2	0	0	0	110.1	H502 A505 F506 T532 P533 L534 V538 N539 K540	H502-I536 HydrophobicContact CB-CD1 3.81Å; A505-I536 HydrophobicContact CB-CB 4.06Å; A505-I536 HydrophobicContact CB-CG2 4.14Å; A505-I536 WeakPolarHBondContact O-CG2 3.27Å; F506-I536 HydrophobicContact CD1-CG2 3.98Å; F506-I536 HydrophobicContact CD2-CD1 4.46Å; F506-I536 HydrophobicContact CD2-CG2 3.97Å; F506-I536 HydrophobicContact CE1-CG2 4Å; F506-I536 HydrophobicContact CE2-CD1 3.83Å; F506-I536 HydrophobicContact CE2-CG2 4.01Å; F506-I536 HydrophobicContact CG-CG2 3.95Å; F506-I536 HydrophobicContact CZ-CD1 4.19Å; F506-I536 HydrophobicContact CZ-CG2 4.01Å; T532-I536 PolarHBondContact O-N 2.95Å; P533-I536 PolarHBondContact O-N 3.21Å; L534-I536 VanDerWaalsContact C-N 3.33Å; I536-V538 VanDerWaalsContact C-N 3.34Å; I536-V538 PolarHBondContact O-N 3.46Å; I536-N539 PolarHBondContact O-N 3.45Å; I536-N539 VanDerWaalsContact O-N 3.14Å; I536-K540 HydrophobicContact CG2-CG 4.3Å; I536-K540 VanDerWaalsContact O-CG 3.28Å; I536-K540 WeakPolarHBondContact O-CG 3.34Å; I536-K540 PolarHBondContact O-N 3.19Å
537	A	95.9	Very high	95	Very high	0 Å²	0	42 Å²	42	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-57.9	-43.7	179.4	0	0	0	0	0	112.2	A505 P533 G541 H542 V545 V546 L549	A505-A537 HydrophobicContact CB-CB 4.28Å; P533-A537 WeakPolarHBondContact O-CB 3.24Å; P533-A537 PolarHBondContact O-N 2.83Å; A537-G541 WeakPolarHBondContact O-CA 3.48Å; A537-G541 PolarHBondContact O-N 2.75Å; A537-H542 PolarHBondContact O-N 2.79Å; A537-V545 HydrophobicContact CB-CB 4.17Å; A537-V545 HydrophobicContact CB-CG1 3.73Å; A537-V546 HydrophobicContact CB-CG2 3.69Å; A537-L549 HydrophobicContact CB-CD1 4.26Å
538	V	95.2	Very high	95	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-67.8	-41.6	174.8	176	0	0	0	0	112.1	L534 I536 K540 G541 V546 P566 D569 A570 M578 L582	L534-V538 HydrophobicContact CD1-CG2 4.5Å; L534-V538 VanDerWaalsContact O-CG2 3.29Å; L534-V538 WeakPolarHBondContact O-CG2 3.48Å; L534-V538 PolarHBondContact O-N 3.05Å; L534-V538 VanDerWaalsContact O-N 3.1Å; I536-V538 VanDerWaalsContact C-N 3.34Å; I536-V538 PolarHBondContact O-N 3.46Å; V538-K540 VanDerWaalsContact C-N 3.29Å; V538-K540 PolarHBondContact O-N 3.42Å; V538-G541 PolarHBondContact O-N 3.16Å; V538-V546 HydrophobicContact CG2-CG1 4.38Å; V538-V546 HydrophobicContact CG2-CG2 3.7Å; V538-P566 HydrophobicContact CG2-CB 4.32Å; V538-D569 HydrophobicContact CG1-CB 3.94Å; V538-A570 HydrophobicContact CG1-CB 3.79Å; V538-M578 HydrophobicContact CG1-SD 4.48Å; V538-L582 HydrophobicContact CG2-CD1 4.18Å
539	N	93.6	Very high	95	Very high	43 Å²	43	36.3 Å²	36.3	23%	0.23	16%	0.163	C	C	.	.	H	α-helix	trans	-60.8	-37.4	177.1	-96.3	-83.9	0	0	0	112.7	H535 I536 D569 K573	H535-N539 VanDerWaalsContact O-CB 3.26Å; H535-N539 WeakPolarHBondContact O-CB 3.44Å; H535-N539 PolarHBondContact O-N 2.82Å; H535-N539 PolarHBondContact O-ND2 2.86Å; I536-N539 PolarHBondContact O-N 3.45Å; I536-N539 VanDerWaalsContact O-N 3.14Å; N539-D569 PolarHBondContact ND2-OD1 2.94Å; N539-D569 PolarHBondContact ND2-OD2 3.29Å; N539-D569 PolarHBondContact OD1-OD1 2.99Å; N539-K573 WeakPolarHBondContact OD1-CE 3.45Å; N539-K573 PolarHBondContact OD1-NZ 2.92Å
540	K	92.3	Very high	95.1	Very high	97 Å²	97	30.9 Å²	30.9	42%	0.422	14%	0.144	S	C	.	.	H	α-helix	trans	-77.2	-42.6	176.2	-61.7	-70.5	160.9	167.6	0	111.2	F506 I536 V538 R575	F506-K540 HydrophobicContact CD1-CD 4.33Å; I536-K540 HydrophobicContact CG2-CG 4.3Å; I536-K540 VanDerWaalsContact O-CG 3.28Å; I536-K540 WeakPolarHBondContact O-CG 3.34Å; I536-K540 PolarHBondContact O-N 3.19Å; V538-K540 VanDerWaalsContact C-N 3.29Å; V538-K540 PolarHBondContact O-N 3.42Å; K540-R575 PolarHBondContact O-NH2 2.9Å
541	G	92.5	Very high	95.1	Very high	16 Å²	16	29.9 Å²	29.9	17%	0.165	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	101.8	31.8	-177.5	0	0	0	0	0	114.2	A537 V538 L543 M578	A537-G541 WeakPolarHBondContact O-CA 3.48Å; A537-G541 PolarHBondContact O-N 2.75Å; V538-G541 PolarHBondContact O-N 3.16Å; G541-L543 PolarHBondContact O-N 3.38Å; G541-M578 VanDerWaalsContact CA-CE 3.42Å; G541-M578 WeakPolarHBondContact O-CE 3.17Å
542	H	94.4	Very high	94.9	Very high	34 Å²	34	31.5 Å²	31.5	16%	0.157	16%	0.156	C	C	.	.			trans	-90.4	79.2	-173.3	-63.7	-21.2	0	0	0	109.9	A505 F506 G507 D508 A537 Q544 V545 V546	A505-H542 PolarHBondContact O-CD2 3.2Å; F506-H542 PolarHBondContact O-NE2 3.46Å; G507-H542 PolarHBondContact O-CD2 2.79Å; D508-H542 HydrophobicContact CB-CB 4.45Å; D508-H542 VanDerWaalsContact OD1-CA 3.24Å; D508-H542 WeakPolarHBondContact OD1-CA 3.35Å; D508-H542 VanDerWaalsContact OD1-CB 3.26Å; D508-H542 WeakPolarHBondContact OD1-CB 3.39Å; D508-H542 IonicContact OD1-CG 3.19Å; D508-H542 IonicContact OD1-ND1 3.67Å; A537-H542 PolarHBondContact O-N 2.79Å; H542-Q544 VanDerWaalsContact C-N 3.26Å; H542-Q544 PolarHBondContact O-N 2.91Å; H542-V545 HydrophobicContact CB-CB 4.05Å; H542-V545 HydrophobicContact CB-CG2 4.05Å; H542-V545 PolarHBondContact O-N 3.47Å; H542-V545 VanDerWaalsContact O-N 3.11Å; H542-V546 PolarHBondContact O-N 3.04Å
543	L	93	Very high	94.4	Very high	50 Å²	50	34.2 Å²	34.2	26%	0.262	18%	0.184	S	C	.	.	H	α-helix	trans	-58.4	-35.1	-167.9	-178.2	64.3	0	0	0	113.1	G541 V546 K547 D577 M578 V581	G541-L543 PolarHBondContact O-N 3.38Å; L543-V546 PolarHBondContact O-N 3.29Å; L543-K547 WeakPolarHBondContact O-CG 3.07Å; L543-K547 PolarHBondContact O-N 2.99Å; L543-K547 VanDerWaalsContact O-N 3.07Å; L543-D577 HydrophobicContact CD1-CB 4.45Å; L543-D577 HydrophobicContact CD2-CB 4.36Å; L543-M578 HydrophobicContact CB-CE 3.93Å; L543-M578 HydrophobicContact CD1-CE 4.37Å; L543-M578 HydrophobicContact CD1-CG 3.65Å; L543-V581 HydrophobicContact CD1-CG2 4.28Å
544	Q	92.6	Very high	94.2	Very high	100 Å²	100	34.4 Å²	34.4	47%	0.467	19%	0.186	S	C	.	.	H	α-helix	trans	-69.3	-40.1	179.3	-174.2	52.8	56.2	0	0	111.5	H542 K547 T548	H542-Q544 VanDerWaalsContact C-N 3.26Å; H542-Q544 PolarHBondContact O-N 2.91Å; Q544-K547 PolarHBondContact O-N 3.07Å; Q544-T548 PolarHBondContact NE2-OG1 3.35Å; Q544-T548 WeakPolarHBondContact O-CB 3.34Å; Q544-T548 PolarHBondContact O-N 2.78Å; Q544-T548 PolarHBondContact O-OG1 3.4Å; Q544-T548 VanDerWaalsContact O-OG1 3.11Å
545	V	95.4	Very high	94	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-64.6	-41.8	174.6	179.2	0	0	0	0	111.1	A505 G507 I513 A537 H542 K547 T548 L549	A505-V545 HydrophobicContact CB-CG1 4.32Å; G507-V545 WeakPolarHBondContact O-CG2 3.4Å; I513-V545 HydrophobicContact CD1-CG1 4.3Å; I513-V545 HydrophobicContact CG1-CG1 4.01Å; A537-V545 HydrophobicContact CB-CB 4.17Å; A537-V545 HydrophobicContact CB-CG1 3.73Å; H542-V545 HydrophobicContact CB-CB 4.05Å; H542-V545 HydrophobicContact CB-CG2 4.05Å; H542-V545 PolarHBondContact O-N 3.47Å; H542-V545 VanDerWaalsContact O-N 3.11Å; V545-K547 PolarHBondContact O-N 3.22Å; V545-T548 PolarHBondContact O-N 3.48Å; V545-L549 HydrophobicContact CG1-CD1 3.96Å; V545-L549 HydrophobicContact CG1-CG 4.41Å; V545-L549 WeakPolarHBondContact O-CB 3.08Å; V545-L549 WeakPolarHBondContact O-CG 3.28Å; V545-L549 PolarHBondContact O-N 2.92Å
546	V	96.1	Very high	93.9	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-57.5	-47.7	174.9	171.4	0	0	0	0	111.1	L534 A537 V538 H542 L543 L550 M578 V581	L534-V546 HydrophobicContact CD1-CB 4.44Å; L534-V546 HydrophobicContact CD1-CG1 4.02Å; L534-V546 HydrophobicContact CD1-CG2 4.44Å; A537-V546 HydrophobicContact CB-CG2 3.69Å; V538-V546 HydrophobicContact CG2-CG1 4.38Å; V538-V546 HydrophobicContact CG2-CG2 3.7Å; H542-V546 PolarHBondContact O-N 3.04Å; L543-V546 PolarHBondContact O-N 3.29Å; V546-L550 HydrophobicContact CG1-CD1 3.98Å; V546-L550 WeakPolarHBondContact O-CD1 3.38Å; V546-L550 VanDerWaalsContact O-CG 3.28Å; V546-L550 WeakPolarHBondContact O-CG 3.45Å; V546-L550 PolarHBondContact O-N 3.37Å; V546-M578 HydrophobicContact CG1-CG 4.41Å; V546-M578 HydrophobicContact CG2-CG 4.25Å; V546-M578 HydrophobicContact CG2-SD 4.3Å; V546-V581 HydrophobicContact CG1-CG1 4.29Å
547	K	94.9	Very high	93.9	Very high	81 Å²	81	39.9 Å²	39.9	35%	0.352	21%	0.213	S	C	.	.	H	α-helix	trans	-60.7	-55.2	176.4	-73.4	175.7	178.5	-177	0	111.6	L543 Q544 V545 L549 L550 D551 V581	L543-K547 WeakPolarHBondContact O-CG 3.07Å; L543-K547 PolarHBondContact O-N 2.99Å; L543-K547 VanDerWaalsContact O-N 3.07Å; Q544-K547 PolarHBondContact O-N 3.07Å; V545-K547 PolarHBondContact O-N 3.22Å; K547-L549 VanDerWaalsContact C-N 3.29Å; K547-L549 PolarHBondContact O-N 2.84Å; K547-L550 CarbonylContact O-C 3.58Å; K547-L550 WeakPolarHBondContact O-CA 3.43Å; K547-L550 PolarHBondContact O-N 3.13Å; K547-D551 VanDerWaalsContact O-CG 3.24Å; K547-D551 PolarHBondContact O-N 1.95Å; K547-V581 HydrophobicContact CG-CG1 3.88Å; K547-V581 HydrophobicContact CG-CG2 4.34Å
548	T	95.4	Very high	93.8	Very high	14 Å²	14	41.9 Å²	41.9	9%	0.086	22%	0.224	C	C	.	.	H	α-helix	trans	-61.7	-33	-176	-59.8	0	0	0	0	113.1	I513 Q544 V545 F552	I513-T548 HydrophobicContact CB-CG2 4.12Å; I513-T548 HydrophobicContact CG2-CG2 4.2Å; Q544-T548 PolarHBondContact NE2-OG1 3.35Å; Q544-T548 WeakPolarHBondContact O-CB 3.34Å; Q544-T548 PolarHBondContact O-N 2.78Å; Q544-T548 PolarHBondContact O-OG1 3.4Å; Q544-T548 VanDerWaalsContact O-OG1 3.11Å; V545-T548 PolarHBondContact O-N 3.48Å; T548-F552 HydrophobicContact CG2-CD2 3.84Å; T548-F552 HydrophobicContact CG2-CE2 3.44Å; T548-F552 VanDerWaalsContact CG2-CE2 3.44Å; T548-F552 HydrophobicContact CG2-CZ 4.45Å; T548-F552 WeakPolarHBondContact O-CD2 3.4Å; T548-F552 PolarHBondContact O-N 2.97Å
549	L	95.9	Very high	93.8	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-63.3	-41.4	171	-78.9	168.1	0	0	0	112.6	I513 L523 P533 L534 A537 V545 K547 G553 C554	I513-L549 HydrophobicContact CD1-CD2 4.18Å; I513-L549 HydrophobicContact CD1-CG 4.5Å; I513-L549 HydrophobicContact CG1-CG 4.47Å; I513-L549 HydrophobicContact CG2-CD2 3.76Å; I513-L549 HydrophobicContact CG2-CG 4.16Å; L523-L549 HydrophobicContact CB-CD2 4.17Å; L523-L549 HydrophobicContact CD1-CD2 4.36Å; L523-L549 HydrophobicContact CD2-CD2 4.05Å; L523-L549 HydrophobicContact CG-CD2 4.42Å; P533-L549 HydrophobicContact CB-CD1 4.08Å; P533-L549 HydrophobicContact CB-CD2 4.16Å; L534-L549 HydrophobicContact CB-CD1 4.23Å; L534-L549 HydrophobicContact CD1-CB 4.37Å; L534-L549 HydrophobicContact CD1-CD1 4.26Å; A537-L549 HydrophobicContact CB-CD1 4.26Å; V545-L549 HydrophobicContact CG1-CD1 3.96Å; V545-L549 HydrophobicContact CG1-CG 4.41Å; V545-L549 WeakPolarHBondContact O-CB 3.08Å; V545-L549 WeakPolarHBondContact O-CG 3.28Å; V545-L549 PolarHBondContact O-N 2.92Å; K547-L549 VanDerWaalsContact C-N 3.29Å; K547-L549 PolarHBondContact O-N 2.84Å; L549-G553 PolarHBondContact O-N 3.08Å; L549-C554 HydrophobicContact CB-CB 4.13Å; L549-C554 WeakPolarHBondContact O-CB 3.47Å; L549-C554 PolarHBondContact O-N 2.9Å
550	L	95.1	Very high	93.9	Very high	23 Å²	23	43.8 Å²	43.8	12%	0.12	23%	0.232	C	C	.	.	H	α-helix	trans	-76.7	-35.9	-179.1	-65.1	166.6	0	0	0	112	L534 V546 K547 F552 G553 P556 V581 L582 A585	L534-L550 HydrophobicContact CD1-CD1 4.43Å; L534-L550 HydrophobicContact CD1-CD2 4.39Å; L534-L550 HydrophobicContact CD1-CG 4.23Å; L534-L550 HydrophobicContact CD2-CD2 3.77Å; L534-L550 HydrophobicContact CD2-CG 4.49Å; V546-L550 HydrophobicContact CG1-CD1 3.98Å; V546-L550 WeakPolarHBondContact O-CD1 3.38Å; V546-L550 VanDerWaalsContact O-CG 3.28Å; V546-L550 WeakPolarHBondContact O-CG 3.45Å; V546-L550 PolarHBondContact O-N 3.37Å; K547-L550 CarbonylContact O-C 3.58Å; K547-L550 WeakPolarHBondContact O-CA 3.43Å; K547-L550 PolarHBondContact O-N 3.13Å; L550-F552 PolarHBondContact O-N 3.26Å; L550-G553 PolarHBondContact O-N 2.8Å; L550-P556 HydrophobicContact CD2-CB 3.92Å; L550-V581 HydrophobicContact CD1-CG1 3.75Å; L550-L582 HydrophobicContact CD1-CD2 4.13Å; L550-A585 HydrophobicContact CB-CB 4.19Å; L550-A585 HydrophobicContact CD1-CB 3.94Å; L550-A585 HydrophobicContact CD2-CB 3.89Å; L550-A585 HydrophobicContact CG-CB 4.22Å
551	D	94.7	Very high	94	Very high	127 Å²	127	41.5 Å²	41.5	68%	0.679	23%	0.228	S	C	*	.	H	α-helix	trans	-59.4	-32.9	172.7	-65.4	-39.5	0	0	0	111.8	K547 G553	K547-D551 VanDerWaalsContact O-CG 3.24Å; K547-D551 PolarHBondContact O-N 1.95Å; D551-G553 VanDerWaalsContact C-N 3.35Å
552	F	93.7	Very high	93.8	Very high	69 Å²	69	45.5 Å²	45.5	30%	0.303	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	13.2	172.2	-64.3	-50.5	0	0	0	114.3	I513 E514 H517 L523 T548 L550	I513-F552 HydrophobicContact CG2-CD2 4.23Å; E514-F552 HydrophobicContact CB-CE2 3.83Å; E514-F552 HydrophobicContact CB-CZ 3.96Å; E514-F552 HydrophobicContact CG-CE2 4.31Å; E514-F552 HydrophobicContact CG-CZ 3.91Å; H517-F552 HydrophobicContact CB-CD2 4.36Å; H517-F552 AromaticContact CD2-CD1 3.42Å; H517-F552 VanDerWaalsContact CD2-CD1 3.42Å; H517-F552 WeakPolarHBondContact CD2-CD1 3.44Å; H517-F552 AromaticContact CD2-CE1 3.88Å; H517-F552 AromaticContact CD2-CG 3.58Å; H517-F552 AromaticContact NE2-CD1 3.72Å; L523-F552 HydrophobicContact CD1-CB 3.54Å; L523-F552 HydrophobicContact CD1-CD2 4.46Å; L523-F552 HydrophobicContact CD1-CG 4.41Å; T548-F552 HydrophobicContact CG2-CD2 3.84Å; T548-F552 HydrophobicContact CG2-CE2 3.44Å; T548-F552 VanDerWaalsContact CG2-CE2 3.44Å; T548-F552 HydrophobicContact CG2-CZ 4.45Å; T548-F552 WeakPolarHBondContact O-CD2 3.4Å; T548-F552 PolarHBondContact O-N 2.97Å; L550-F552 PolarHBondContact O-N 3.26Å
553	G	86.4	Confident	93.5	Very high	57 Å²	57	44 Å²	44	59%	0.588	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.7	25	170.6	0	0	0	0	0	116	L549 L550 D551	L549-G553 PolarHBondContact O-N 3.08Å; L550-G553 PolarHBondContact O-N 2.8Å; D551-G553 VanDerWaalsContact C-N 3.35Å
554	C	91.8	Very high	93.5	Very high	5 Å²	5	42.8 Å²	42.8	3%	0.034	23%	0.23	C	C	.	.			trans	-58.6	136.3	167.4	-174.6	0	0	0	0	110.6	L523 L549 P556	L523-C554 HydrophobicContact CB-CB 4.43Å; L523-C554 PolarHBondContact O-SG 3Å; L549-C554 HydrophobicContact CB-CB 4.13Å; L549-C554 WeakPolarHBondContact O-CB 3.47Å; L549-C554 PolarHBondContact O-N 2.9Å; C554-P556 WeakPolarHBondContact O-CD 2.94Å
555	H	93.9	Very high	93.6	Very high	95 Å²	95	38 Å²	38	44%	0.44	21%	0.208	S	C	.	.			trans	-75.6	113.4	-175	-177.1	-84.9	0	0	0	111	N524 S557 L558	N524-H555 WeakPolarHBondContact OD1-CB 3.38Å; N524-H555 PolarHBondContact OD1-N 3.44Å; H555-S557 PolarHBondContact ND1-N 3.34Å; H555-S557 PolarHBondContact O-N 3.09Å; H555-L558 HydrophobicContact CB-CD1 4.21Å; H555-L558 HydrophobicContact CB-CG 4.07Å; H555-L558 PolarHBondContact ND1-N 3.24Å
556	P	94.3	Very high	93.5	Very high	17 Å²	17	38 Å²	38	11%	0.11	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-1.9	-165.7	31	-38.8	0	0	0	114.7	L550 C554 L582 A587	L550-P556 HydrophobicContact CD2-CB 3.92Å; C554-P556 WeakPolarHBondContact O-CD 2.94Å; P556-L582 HydrophobicContact CB-CD2 4.36Å; P556-A587 HydrophobicContact CB-CB 4.07Å; P556-A587 HydrophobicContact CG-CB 4.47Å
557	S	93.7	Very high	93.3	Very high	9 Å²	9	38 Å²	38	6%	0.063	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-139.2	26	-169.2	-51.6	0	0	0	0	114	H555 A587 D588 I591	H555-S557 PolarHBondContact ND1-N 3.34Å; H555-S557 PolarHBondContact O-N 3.09Å; S557-A587 VanDerWaalsContact OG-CA 3.29Å; S557-A587 WeakPolarHBondContact OG-CA 3.48Å; S557-D588 PolarHBondContact OG-N 3.5Å; S557-I591 WeakPolarHBondContact O-CD1 3.19Å
558	L	95.5	Very high	92.9	Very high	42 Å²	42	34.1 Å²	34.1	22%	0.22	19%	0.191	C	C	.	.			trans	-64.8	146.4	160.4	-66.3	174.4	0	0	0	109	N524 T532 H535 H555 P566	N524-L558 HydrophobicContact CB-CD1 3.96Å; T532-L558 HydrophobicContact CG2-CB 4.07Å; T532-L558 HydrophobicContact CG2-CD1 3.76Å; H535-L558 PolarHBondContact CE1-O 3.16Å; H535-L558 PolarHBondContact NE2-O 3.45Å; H555-L558 HydrophobicContact CB-CD1 4.21Å; H555-L558 HydrophobicContact CB-CG 4.07Å; H555-L558 PolarHBondContact ND1-N 3.24Å; L558-P566 WeakPolarHBondContact O-CD 3.32Å
559	Q	94.9	Very high	92.7	Very high	67 Å²	67	34 Å²	34	31%	0.313	19%	0.19	S	C	.	.			trans	-94.7	163.2	177.5	-66.7	177.1	-76.7	0	0	111.8	R526 G563 D564 T565 I591 T592	R526-Q559 PolarHBondContact NE-O 3.14Å; R526-Q559 PolarHBondContact NH2-O 3.22Å; Q559-G563 WeakPolarHBondContact CG-O 3.49Å; Q559-G563 PolarHBondContact NE2-O 3.24Å; Q559-D564 CarbonylContact C-O 3.29Å; Q559-D564 WeakPolarHBondContact CA-O 3.31Å; Q559-T565 HydrophobicContact CG-CG2 3.69Å; Q559-I591 HydrophobicContact CG-CG2 3.87Å; Q559-T592 PolarHBondContact NE2-O 2.75Å
560	D	95.2	Very high	92.4	Very high	17 Å²	17	34 Å²	34	9%	0.091	19%	0.19	C	C	.	.			trans	-92.9	-146	171.7	76.7	-14.3	0	0	0	113.1	R530 Q531 E562 G563 D564	R530-D560 VanDerWaalsContact CB-C 3.49Å; R530-D560 WeakPolarHBondContact CB-O 3.39Å; Q531-D560 HydrophobicContact CG-CB 3.76Å; D560-E562 WeakPolarHBondContact OD1-CA 3.42Å; D560-E562 PolarHBondContact OD1-N 3.48Å; D560-G563 PolarHBondContact OD1-N 3.19Å; D560-D564 PolarHBondContact N-O 2.9Å; D560-D564 PolarHBondContact OD1-N 3.2Å
561	S	93.4	Very high	91.8	Very high	49 Å²	49	33.5 Å²	33.5	34%	0.343	19%	0.187	S	C	.	.	S	Bend	trans	-81.7	-32.3	172.1	61.5	0	0	0	0	113.3	R529 G563 N594	R529-S561 WeakPolarHBondContact O-CB 3.48Å; R529-S561 PolarHBondContact O-N 3.44Å; S561-G563 VanDerWaalsContact C-N 3.27Å; S561-N594 PolarHBondContact O-ND2 3.24Å
562	E	89.5	Confident	91.3	Very high	100 Å²	100	29 Å²	29	47%	0.467	17%	0.166	S	C	.	.	S	Bend	trans	-85.1	-5.8	179.9	-52.1	-43.4	113.9	0	0	112.1	D560 D564 N594	D560-E562 WeakPolarHBondContact OD1-CA 3.42Å; D560-E562 PolarHBondContact OD1-N 3.48Å; E562-D564 VanDerWaalsContact C-N 3.26Å; E562-N594 VanDerWaalsContact C-CG 3.41Å; E562-N594 VanDerWaalsContact C-ND2 3.26Å; E562-N594 WeakPolarHBondContact CA-ND2 3.44Å; E562-N594 WeakPolarHBondContact O-CB 3.48Å; E562-N594 PolarHBondContact O-N 3.49Å; E562-N594 PolarHBondContact O-ND2 3.28Å
563	G	88.9	Confident	90.9	Very high	3 Å²	3	30 Å²	30	3%	0.031	17%	0.17	C	C	.	.	S	Bend	trans	83.1	1.6	-177.3	0	0	0	0	0	112.9	Q559 D560 S561 N593	Q559-G563 WeakPolarHBondContact CG-O 3.49Å; Q559-G563 PolarHBondContact NE2-O 3.24Å; D560-G563 PolarHBondContact OD1-N 3.19Å; S561-G563 VanDerWaalsContact C-N 3.27Å; G563-N593 VanDerWaalsContact O-CA 3.25Å; G563-N593 WeakPolarHBondContact O-CA 3.16Å; G563-N593 WeakPolarHBondContact O-CB 3.45Å
564	D	92.1	Very high	90.7	Very high	23 Å²	23	31.9 Å²	31.9	12%	0.123	16%	0.162	C	C	.	.			trans	-69.2	153	172.7	-81.5	-30.5	0	0	0	108.9	H535 Q559 D560 E562 H568 N593 H602	H535-D564 PolarHBondContact NE2-O 2.99Å; Q559-D564 CarbonylContact C-O 3.29Å; Q559-D564 WeakPolarHBondContact CA-O 3.31Å; D560-D564 PolarHBondContact N-O 2.9Å; D560-D564 PolarHBondContact OD1-N 3.2Å; E562-D564 VanDerWaalsContact C-N 3.26Å; D564-H568 HydrophobicContact CB-CB 3.75Å; D564-H568 WeakPolarHBondContact OD1-CB 3.5Å; D564-H568 IonicContact OD1-CD2 2.82Å; D564-H568 IonicContact OD1-CG 3.69Å; D564-N593 VanDerWaalsContact OD1-CB 3.3Å; D564-N593 WeakPolarHBondContact OD1-CB 3.41Å; D564-N593 PolarHBondContact OD1-ND2 2.94Å; D564-H602 IonicContact OD1-CD2 2.68Å; D564-H602 IonicContact OD1-CE1 2.67Å; D564-H602 IonicContact OD1-NE2 3.05Å; D564-H602 PolarHBondContact OD1-NE2 2.81Å; D564-H602 IonicContact OD2-CE1 2.68Å; D564-H602 IonicContact OD2-NE2 3.83Å
565	T	94.1	Very high	90.2	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.176	C	C	.	.			trans	-114.6	171	176.5	67.6	0	0	0	0	109.2	Q559 L567 H568 D569 I591	Q559-T565 HydrophobicContact CG-CG2 3.69Å; T565-L567 PolarHBondContact O-N 2.96Å; T565-H568 PolarHBondContact N-ND1 2.89Å; T565-H568 VanDerWaalsContact N-ND1 3.1Å; T565-H568 WeakPolarHBondContact O-CA 3.5Å; T565-H568 WeakPolarHBondContact O-CB 3.28Å; T565-H568 PolarHBondContact O-N 3.24Å; T565-H568 PolarHBondContact OG1-ND1 2.9Å; T565-D569 PolarHBondContact O-N 3.43Å; T565-I591 HydrophobicContact CG2-CB 4.36Å; T565-I591 HydrophobicContact CG2-CD1 4.42Å; T565-I591 HydrophobicContact CG2-CG2 3.89Å
566	P	94.6	Very high	89.6	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-55.7	-27.5	176.5	-27.1	36.7	0	0	0	113.6	L534 H535 V538 L558 D569 A570 L582	L534-P566 HydrophobicContact CB-CG 4.38Å; L534-P566 HydrophobicContact CD2-CB 4.21Å; L534-P566 HydrophobicContact CD2-CG 3.92Å; L534-P566 HydrophobicContact CG-CB 4.01Å; L534-P566 HydrophobicContact CG-CG 3.92Å; H535-P566 WeakPolarHBondContact NE2-CD 3.43Å; V538-P566 HydrophobicContact CG2-CB 4.32Å; L558-P566 WeakPolarHBondContact O-CD 3.32Å; P566-D569 PolarHBondContact O-N 3.16Å; P566-A570 PolarHBondContact O-N 3.49Å; P566-L582 HydrophobicContact CB-CD1 4.15Å; P566-L582 HydrophobicContact CB-CD2 3.98Å; P566-L582 WeakPolarHBondContact O-CD1 3.47Å
567	L	90.6	Very high	89.1	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-71.6	-38.4	174.4	-169.3	69.7	0	0	0	112.5	T565 A570 I571 L579 L582 L583 A587 V589 A599	T565-L567 PolarHBondContact O-N 2.96Å; L567-A570 PolarHBondContact O-N 2.99Å; L567-I571 HydrophobicContact CG-CD1 4.45Å; L567-I571 WeakPolarHBondContact O-CD1 3.38Å; L567-I571 VanDerWaalsContact O-CG1 3.3Å; L567-I571 WeakPolarHBondContact O-CG1 3.28Å; L567-I571 PolarHBondContact O-N 2.76Å; L567-L579 HydrophobicContact CD1-CD1 3.66Å; L567-L579 HydrophobicContact CD1-CG 3.98Å; L567-L579 HydrophobicContact CG-CD1 4.44Å; L567-L582 HydrophobicContact CD1-CB 4.15Å; L567-L582 HydrophobicContact CD1-CD1 4.38Å; L567-L583 HydrophobicContact CD1-CD2 4.24Å; L567-L583 HydrophobicContact CD1-CG 4.13Å; L567-L583 HydrophobicContact CD2-CD2 4.08Å; L567-A587 HydrophobicContact CD2-CB 4.4Å; L567-V589 HydrophobicContact CD2-CB 4.44Å; L567-V589 HydrophobicContact CD2-CG1 3.83Å; L567-A599 HydrophobicContact CD2-CB 3.65Å; L567-A599 HydrophobicContact CG-CB 4.06Å
568	H	87.8	Confident	88.8	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-63.7	-42.8	171.5	-64.9	94.3	0	0	0	110.8	D564 T565 I571 S572 I591 F597 N598 A599 H602	D564-H568 HydrophobicContact CB-CB 3.75Å; D564-H568 WeakPolarHBondContact OD1-CB 3.5Å; D564-H568 IonicContact OD1-CD2 2.82Å; D564-H568 IonicContact OD1-CG 3.69Å; T565-H568 PolarHBondContact N-ND1 2.89Å; T565-H568 VanDerWaalsContact N-ND1 3.1Å; T565-H568 WeakPolarHBondContact O-CA 3.5Å; T565-H568 WeakPolarHBondContact O-CB 3.28Å; T565-H568 PolarHBondContact O-N 3.24Å; T565-H568 PolarHBondContact OG1-ND1 2.9Å; H568-I571 PolarHBondContact O-N 2.88Å; H568-S572 WeakPolarHBondContact O-CB 3.44Å; H568-S572 PolarHBondContact O-N 3.37Å; H568-I591 PolarHBondContact CE1-O 3.46Å; H568-I591 VanDerWaalsContact CE1-O 3.27Å; H568-F597 PolarHBondContact NE2-O 3.03Å; H568-N598 VanDerWaalsContact NE2-CA 3.35Å; H568-N598 WeakPolarHBondContact NE2-CA 3.39Å; H568-A599 PolarHBondContact NE2-N 3.22Å; H568-H602 AromaticContact CD2-CD2 3.51Å
569	D	91.1	Very high	88.3	Confident	11 Å²	11	34.1 Å²	34.1	6%	0.059	17%	0.169	C	C	.	.	H	α-helix	trans	-58.9	-47.7	173.6	-91.7	-42.5	0	0	0	112.2	H535 V538 N539 T565 P566 I571 S572 K573	H535-D569 IonicContact CD2-OD2 3.68Å; H535-D569 PolarHBondContact CD2-OD2 2.86Å; H535-D569 IonicContact CG-OD2 3.93Å; V538-D569 HydrophobicContact CG1-CB 3.94Å; N539-D569 PolarHBondContact ND2-OD1 2.94Å; N539-D569 PolarHBondContact ND2-OD2 3.29Å; N539-D569 PolarHBondContact OD1-OD1 2.99Å; T565-D569 PolarHBondContact O-N 3.43Å; P566-D569 PolarHBondContact O-N 3.16Å; D569-I571 VanDerWaalsContact C-N 3.27Å; D569-I571 PolarHBondContact O-N 2.77Å; D569-S572 CarbonylContact O-C 3.45Å; D569-S572 WeakPolarHBondContact O-CA 3.3Å; D569-S572 WeakPolarHBondContact O-CB 3.46Å; D569-S572 PolarHBondContact O-N 2.68Å; D569-K573 WeakPolarHBondContact O-CG 3.33Å; D569-K573 PolarHBondContact O-N 3.35Å
570	A	89.9	Confident	87.7	Confident	1 Å²	1	32.8 Å²	32.8	1%	0.008	17%	0.167	C	C	.	.	H	α-helix	trans	-55.9	-43.2	178.9	0	0	0	0	0	111.9	V538 P566 L567 K573 K574 R575 L582	V538-A570 HydrophobicContact CG1-CB 3.79Å; P566-A570 PolarHBondContact O-N 3.49Å; L567-A570 PolarHBondContact O-N 2.99Å; A570-K573 CarbonylContact O-C 3.59Å; A570-K573 PolarHBondContact O-N 2.94Å; A570-K574 PolarHBondContact O-N 3.07Å; A570-R575 HydrophobicContact CB-CB 4.4Å; A570-R575 PolarHBondContact O-N 2.75Å; A570-L582 HydrophobicContact CB-CD1 4.1Å
571	I	82.5	Confident	87.4	Confident	11 Å²	11	32.8 Å²	32.8	6%	0.056	17%	0.168	C	C	.	.	H	α-helix	trans	-67.8	-42.6	175.7	-64.6	163.5	0	0	0	111	L567 H568 D569 K573 K574 L579 A599 H602 A603 R606	L567-I571 HydrophobicContact CG-CD1 4.45Å; L567-I571 WeakPolarHBondContact O-CD1 3.38Å; L567-I571 VanDerWaalsContact O-CG1 3.3Å; L567-I571 WeakPolarHBondContact O-CG1 3.28Å; L567-I571 PolarHBondContact O-N 2.76Å; H568-I571 PolarHBondContact O-N 2.88Å; D569-I571 VanDerWaalsContact C-N 3.27Å; D569-I571 PolarHBondContact O-N 2.77Å; I571-K573 PolarHBondContact O-N 3.25Å; I571-K574 PolarHBondContact O-N 3.15Å; I571-L579 HydrophobicContact CD1-CD1 3.87Å; I571-L579 HydrophobicContact CG1-CD1 3.41Å; I571-L579 VanDerWaalsContact CG1-CD1 3.41Å; I571-A599 HydrophobicContact CD1-CB 3.76Å; I571-A599 WeakPolarHBondContact CD1-O 3.43Å; I571-H602 HydrophobicContact CG2-CB 4.2Å; I571-A603 HydrophobicContact CD1-CB 4.24Å; I571-A603 HydrophobicContact CG2-CB 3.94Å; I571-R606 PolarHBondContact O-NH1 3.02Å
572	S	83.4	Confident	87.3	Confident	34 Å²	34	30.4 Å²	30.4	24%	0.238	15%	0.151	C	C	.	.	H	α-helix	trans	-67.6	-14.4	175.3	-167	0	0	0	0	113.4	H568 D569 R606	H568-S572 WeakPolarHBondContact O-CB 3.44Å; H568-S572 PolarHBondContact O-N 3.37Å; D569-S572 CarbonylContact O-C 3.45Å; D569-S572 WeakPolarHBondContact O-CA 3.3Å; D569-S572 WeakPolarHBondContact O-CB 3.46Å; D569-S572 PolarHBondContact O-N 2.68Å; S572-R606 PolarHBondContact O-NH1 3.31Å; S572-R606 PolarHBondContact O-NH2 3.48Å
573	K	84.3	Confident	87	Confident	88 Å²	88	27.1 Å²	27.1	38%	0.383	14%	0.137	S	C	.	.	H	α-helix	trans	-112.3	-5.2	173.4	-58.5	-45.1	-179.6	-157.4	0	115.8	N539 D569 A570 I571 R575	N539-K573 WeakPolarHBondContact OD1-CE 3.45Å; N539-K573 PolarHBondContact OD1-NZ 2.92Å; D569-K573 WeakPolarHBondContact O-CG 3.33Å; D569-K573 PolarHBondContact O-N 3.35Å; A570-K573 CarbonylContact O-C 3.59Å; A570-K573 PolarHBondContact O-N 2.94Å; I571-K573 PolarHBondContact O-N 3.25Å; K573-R575 HydrophobicContact CB-CG 3.8Å
574	K	82.3	Confident	86.9	Confident	97 Å²	97	34.1 Å²	34.1	42%	0.422	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	54.6	-170.7	-65.3	-178.3	178.4	-151.9	0	112.1	A570 I571 D611	A570-K574 PolarHBondContact O-N 3.07Å; I571-K574 PolarHBondContact O-N 3.15Å; K574-D611 WeakPolarHBondContact CE-OD2 3.38Å; K574-D611 IonicContact NZ-OD2 3.79Å; K574-D611 PolarHBondContact NZ-OD2 3.16Å
575	R	82	Confident	86.6	Confident	85 Å²	85	35.2 Å²	35.2	32%	0.321	18%	0.181	S	C	.	.			trans	-107	70.3	175.2	-59.8	-61.2	-169.5	173.8	1.9	109.6	K540 A570 K573 D577 M578 L579	K540-R575 PolarHBondContact O-NH2 2.9Å; A570-R575 HydrophobicContact CB-CB 4.4Å; A570-R575 PolarHBondContact O-N 2.75Å; K573-R575 HydrophobicContact CB-CG 3.8Å; R575-D577 WeakPolarHBondContact CA-OD1 3.41Å; R575-D577 PolarHBondContact O-N 3.44Å; R575-M578 HydrophobicContact CB-CB 3.92Å; R575-M578 HydrophobicContact CB-CE 4.27Å; R575-M578 HydrophobicContact CB-CG 4.16Å; R575-M578 HydrophobicContact CB-SD 3.63Å; R575-M578 HydrophobicContact CG-CE 4.23Å; R575-M578 HydrophobicContact CG-SD 3.74Å; R575-M578 PolarHBondContact O-N 3.4Å; R575-L579 PolarHBondContact O-N 3.17Å
576	D	80.6	Confident	86.1	Confident	57 Å²	57	37.9 Å²	37.9	31%	0.305	21%	0.208	S	C	.	.	H	α-helix	trans	-63.3	-26.2	-176.5	-58.6	-30.8	0	0	0	112.1	S580	D576-S580 PolarHBondContact O-N 3.25Å
577	D	84.2	Confident	85.7	Confident	69 Å²	69	38.3 Å²	38.3	37%	0.369	21%	0.212	S	C	.	.	H	α-helix	trans	-70.4	-31.1	172.3	60.7	-35.8	0	0	0	113.8	L543 R575 S580 V581	L543-D577 HydrophobicContact CD1-CB 4.45Å; L543-D577 HydrophobicContact CD2-CB 4.36Å; R575-D577 WeakPolarHBondContact CA-OD1 3.41Å; R575-D577 PolarHBondContact O-N 3.44Å; D577-S580 PolarHBondContact O-OG 3.13Å; D577-V581 WeakPolarHBondContact O-CG2 3.4Å
578	M	87.2	Confident	85.3	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-86.9	-29.7	172.6	-66.4	156.7	-143.6	0	0	111.3	V538 G541 L543 V546 R575 S580 V581 L582	V538-M578 HydrophobicContact CG1-SD 4.48Å; G541-M578 VanDerWaalsContact CA-CE 3.42Å; G541-M578 WeakPolarHBondContact O-CE 3.17Å; L543-M578 HydrophobicContact CB-CE 3.93Å; L543-M578 HydrophobicContact CD1-CE 4.37Å; L543-M578 HydrophobicContact CD1-CG 3.65Å; V546-M578 HydrophobicContact CG1-CG 4.41Å; V546-M578 HydrophobicContact CG2-CG 4.25Å; V546-M578 HydrophobicContact CG2-SD 4.3Å; R575-M578 HydrophobicContact CB-CB 3.92Å; R575-M578 HydrophobicContact CB-CE 4.27Å; R575-M578 HydrophobicContact CB-CG 4.16Å; R575-M578 HydrophobicContact CB-SD 3.63Å; R575-M578 HydrophobicContact CG-CE 4.23Å; R575-M578 HydrophobicContact CG-SD 3.74Å; R575-M578 PolarHBondContact O-N 3.4Å; M578-S580 PolarHBondContact O-N 3.27Å; M578-V581 PolarHBondContact O-N 3.48Å; M578-L582 WeakPolarHBondContact O-CB 3.36Å; M578-L582 WeakPolarHBondContact O-CD1 3.33Å; M578-L582 VanDerWaalsContact O-CG 3.24Å; M578-L582 WeakPolarHBondContact O-CG 3.34Å; M578-L582 PolarHBondContact O-N 2.97Å
579	L	84.8	Confident	84.8	Confident	4 Å²	4	42.3 Å²	42.3	2%	0.021	23%	0.234	C	C	.	.	H	α-helix	trans	-58.4	-46	173.9	-170.9	107.5	0	0	0	111.2	L567 I571 R575 L583 A615	L567-L579 HydrophobicContact CD1-CD1 3.66Å; L567-L579 HydrophobicContact CD1-CG 3.98Å; L567-L579 HydrophobicContact CG-CD1 4.44Å; I571-L579 HydrophobicContact CD1-CD1 3.87Å; I571-L579 HydrophobicContact CG1-CD1 3.41Å; I571-L579 VanDerWaalsContact CG1-CD1 3.41Å; R575-L579 PolarHBondContact O-N 3.17Å; L579-L583 HydrophobicContact CD2-CD1 4.01Å; L579-L583 HydrophobicContact CG-CD1 4.06Å; L579-L583 WeakPolarHBondContact O-CB 3.38Å; L579-L583 WeakPolarHBondContact O-CD1 3.04Å; L579-L583 WeakPolarHBondContact O-CG 3.39Å; L579-L583 PolarHBondContact O-N 2.99Å; L579-L583 VanDerWaalsContact O-N 3.09Å; L579-A615 HydrophobicContact CD2-CB 4.04Å
580	S	83.4	Confident	84.1	Confident	39 Å²	39	44.7 Å²	44.7	27%	0.273	25%	0.249	S	C	.	.	H	α-helix	trans	-63.7	-47.9	176.8	64.4	0	0	0	0	111.8	D576 D577 M578 L582 L583 E584	D576-S580 PolarHBondContact O-N 3.25Å; D577-S580 PolarHBondContact O-OG 3.13Å; M578-S580 PolarHBondContact O-N 3.27Å; S580-L582 VanDerWaalsContact C-N 3.35Å; S580-L582 PolarHBondContact O-N 3.15Å; S580-L583 PolarHBondContact O-N 3.46Å; S580-L583 VanDerWaalsContact O-N 3.15Å; S580-E584 WeakPolarHBondContact O-CB 3.32Å; S580-E584 VanDerWaalsContact O-CG 3.25Å; S580-E584 WeakPolarHBondContact O-CG 3.44Å; S580-E584 PolarHBondContact O-N 2.84Å
581	V	89.4	Confident	83.7	Confident	17 Å²	17	46.5 Å²	46.5	10%	0.103	26%	0.258	C	S	.	.	H	α-helix	trans	-61.9	-39.3	-179.7	174.3	0	0	0	0	112.2	L543 V546 K547 L550 D577 M578 E584 A585	L543-V581 HydrophobicContact CD1-CG2 4.28Å; V546-V581 HydrophobicContact CG1-CG1 4.29Å; K547-V581 HydrophobicContact CG-CG1 3.88Å; K547-V581 HydrophobicContact CG-CG2 4.34Å; L550-V581 HydrophobicContact CD1-CG1 3.75Å; D577-V581 WeakPolarHBondContact O-CG2 3.4Å; M578-V581 PolarHBondContact O-N 3.48Å; V581-E584 PolarHBondContact O-N 3.4Å; V581-A585 WeakPolarHBondContact O-CB 3.28Å; V581-A585 PolarHBondContact O-N 2.64Å
582	L	89.7	Confident	83.5	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-65.9	-40.6	174.9	-74.2	166.1	0	0	0	112.2	L534 V538 L550 P556 P566 L567 A570 M578 S580 A585 G586 A587	L534-L582 HydrophobicContact CD1-CD2 4.35Å; L534-L582 HydrophobicContact CD2-CD2 4.04Å; L534-L582 HydrophobicContact CG-CD2 4.39Å; V538-L582 HydrophobicContact CG2-CD1 4.18Å; L550-L582 HydrophobicContact CD1-CD2 4.13Å; P556-L582 HydrophobicContact CB-CD2 4.36Å; P566-L582 HydrophobicContact CB-CD1 4.15Å; P566-L582 HydrophobicContact CB-CD2 3.98Å; P566-L582 WeakPolarHBondContact O-CD1 3.47Å; L567-L582 HydrophobicContact CD1-CB 4.15Å; L567-L582 HydrophobicContact CD1-CD1 4.38Å; A570-L582 HydrophobicContact CB-CD1 4.1Å; M578-L582 WeakPolarHBondContact O-CB 3.36Å; M578-L582 WeakPolarHBondContact O-CD1 3.33Å; M578-L582 VanDerWaalsContact O-CG 3.24Å; M578-L582 WeakPolarHBondContact O-CG 3.34Å; M578-L582 PolarHBondContact O-N 2.97Å; S580-L582 VanDerWaalsContact C-N 3.35Å; S580-L582 PolarHBondContact O-N 3.15Å; L582-A585 PolarHBondContact O-N 2.65Å; L582-G586 PolarHBondContact O-N 2.72Å; L582-A587 HydrophobicContact CB-CB 4.17Å; L582-A587 WeakPolarHBondContact O-CB 3.31Å; L582-A587 PolarHBondContact O-N 2.99Å
583	L	84.7	Confident	83.4	Confident	30 Å²	30	47.8 Å²	47.8	16%	0.157	27%	0.265	C	S	.	.	H	α-helix	trans	-70.2	-38	176.9	-69	168.7	0	0	0	112	L567 L579 S580 A585 G586 V589 I619	L567-L583 HydrophobicContact CD1-CD2 4.24Å; L567-L583 HydrophobicContact CD1-CG 4.13Å; L567-L583 HydrophobicContact CD2-CD2 4.08Å; L579-L583 HydrophobicContact CD2-CD1 4.01Å; L579-L583 HydrophobicContact CG-CD1 4.06Å; L579-L583 WeakPolarHBondContact O-CB 3.38Å; L579-L583 WeakPolarHBondContact O-CD1 3.04Å; L579-L583 WeakPolarHBondContact O-CG 3.39Å; L579-L583 PolarHBondContact O-N 2.99Å; L579-L583 VanDerWaalsContact O-N 3.09Å; S580-L583 PolarHBondContact O-N 3.46Å; S580-L583 VanDerWaalsContact O-N 3.15Å; L583-A585 VanDerWaalsContact C-N 3.31Å; L583-G586 PolarHBondContact O-N 2.83Å; L583-V589 HydrophobicContact CD2-CG1 3.47Å; L583-V589 VanDerWaalsContact CD2-CG1 3.47Å; L583-I619 HydrophobicContact CD1-CG1 3.89Å; L583-I619 HydrophobicContact CD2-CG1 4.34Å
584	E	85.8	Confident	83.2	Confident	151 Å²	151	49.1 Å²	49.1	71%	0.706	28%	0.276	S	S	*	.	H	α-helix	trans	-62	-38.1	172.8	-74.2	160.5	-156.1	0	0	111.5	S580 V581 G586	S580-E584 WeakPolarHBondContact O-CB 3.32Å; S580-E584 VanDerWaalsContact O-CG 3.25Å; S580-E584 WeakPolarHBondContact O-CG 3.44Å; S580-E584 PolarHBondContact O-N 2.84Å; V581-E584 PolarHBondContact O-N 3.4Å; E584-G586 PolarHBondContact O-N 3.43Å
585	A	85.4	Confident	82.6	Confident	45 Å²	45	49.8 Å²	49.8	37%	0.372	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	2.9	171.7	0	0	0	0	0	114.4	L550 V581 L582 L583	L550-A585 HydrophobicContact CB-CB 4.19Å; L550-A585 HydrophobicContact CD1-CB 3.94Å; L550-A585 HydrophobicContact CD2-CB 3.89Å; L550-A585 HydrophobicContact CG-CB 4.22Å; V581-A585 WeakPolarHBondContact O-CB 3.28Å; V581-A585 PolarHBondContact O-N 2.64Å; L582-A585 PolarHBondContact O-N 2.65Å; L583-A585 VanDerWaalsContact C-N 3.31Å
586	G	83.3	Confident	81.7	Confident	56 Å²	56	47.5 Å²	47.5	58%	0.577	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	85	29.5	173.6	0	0	0	0	0	115.7	L582 L583 E584 D588	L582-G586 PolarHBondContact O-N 2.72Å; L583-G586 PolarHBondContact O-N 2.83Å; E584-G586 PolarHBondContact O-N 3.43Å; G586-D588 PolarHBondContact O-N 3.49Å
587	A	87.6	Confident	81	Confident	9 Å²	9	46.9 Å²	46.9	7%	0.074	28%	0.282	C	S	.	.			trans	-57.4	129.7	175.8	0	0	0	0	0	113.1	P556 S557 L567 L582 V589	P556-A587 HydrophobicContact CB-CB 4.07Å; P556-A587 HydrophobicContact CG-CB 4.47Å; S557-A587 VanDerWaalsContact OG-CA 3.29Å; S557-A587 WeakPolarHBondContact OG-CA 3.48Å; L567-A587 HydrophobicContact CD2-CB 4.4Å; L582-A587 HydrophobicContact CB-CB 4.17Å; L582-A587 WeakPolarHBondContact O-CB 3.31Å; L582-A587 PolarHBondContact O-N 2.99Å; A587-V589 PolarHBondContact O-N 3.46Å
588	D	81.5	Confident	80.5	Confident	61 Å²	61	43.9 Å²	43.9	33%	0.326	27%	0.266	S	S	.	.			trans	-73.1	110.3	176.8	-172.2	-8.5	0	0	0	111.1	S557 G586 T590 I591	S557-D588 PolarHBondContact OG-N 3.5Å; G586-D588 PolarHBondContact O-N 3.49Å; D588-T590 VanDerWaalsContact C-N 3.26Å; D588-T590 PolarHBondContact O-N 2.89Å; D588-T590 WeakPolarHBondContact OD1-CA 3.43Å; D588-T590 VanDerWaalsContact OD1-CB 3.29Å; D588-T590 WeakPolarHBondContact OD1-CB 3.45Å; D588-T590 WeakPolarHBondContact OD1-CG2 3.46Å; D588-T590 PolarHBondContact OD1-N 3.42Å; D588-T590 PolarHBondContact OD1-OG1 3.4Å; D588-T590 PolarHBondContact OD2-OG1 3.41Å; D588-I591 HydrophobicContact CB-CD1 4.01Å; D588-I591 HydrophobicContact CB-CG1 4.03Å
589	V	78.3	Confident	79.9	Confident	24 Å²	24	44 Å²	44	15%	0.145	27%	0.267	C	S	.	.	S	Bend	trans	-76.1	-10.4	178.7	-55.9	0	0	0	0	113.7	L567 L583 A587 I619	L567-V589 HydrophobicContact CD2-CB 4.44Å; L567-V589 HydrophobicContact CD2-CG1 3.83Å; L583-V589 HydrophobicContact CD2-CG1 3.47Å; L583-V589 VanDerWaalsContact CD2-CG1 3.47Å; A587-V589 PolarHBondContact O-N 3.46Å; V589-I619 HydrophobicContact CB-CG2 4.29Å; V589-I619 HydrophobicContact CG1-CG1 4.45Å; V589-I619 HydrophobicContact CG1-CG2 4.1Å; V589-I619 HydrophobicContact CG2-CG2 4.4Å
590	T	75.8	Confident	79.1	Confident	61 Å²	61	45.6 Å²	45.6	37%	0.374	28%	0.275	S	S	.	.	S	Bend	trans	-92.6	-21.9	-172.5	73.9	0	0	0	0	113.7	D588 T592	D588-T590 VanDerWaalsContact C-N 3.26Å; D588-T590 PolarHBondContact O-N 2.89Å; D588-T590 WeakPolarHBondContact OD1-CA 3.43Å; D588-T590 VanDerWaalsContact OD1-CB 3.29Å; D588-T590 WeakPolarHBondContact OD1-CB 3.45Å; D588-T590 WeakPolarHBondContact OD1-CG2 3.46Å; D588-T590 PolarHBondContact OD1-N 3.42Å; D588-T590 PolarHBondContact OD1-OG1 3.4Å; D588-T590 PolarHBondContact OD2-OG1 3.41Å; T590-T592 PolarHBondContact O-N 2.76Å
591	I	80.7	Confident	78.3	Confident	38 Å²	38	44.4 Å²	44.4	20%	0.195	27%	0.265	C	S	.	.			trans	-56.6	131.9	177.5	-62.9	-178	0	0	0	110.2	S557 Q559 T565 H568 D588 N598	S557-I591 WeakPolarHBondContact O-CD1 3.19Å; Q559-I591 HydrophobicContact CG-CG2 3.87Å; T565-I591 HydrophobicContact CG2-CB 4.36Å; T565-I591 HydrophobicContact CG2-CD1 4.42Å; T565-I591 HydrophobicContact CG2-CG2 3.89Å; H568-I591 PolarHBondContact CE1-O 3.46Å; H568-I591 VanDerWaalsContact CE1-O 3.27Å; D588-I591 HydrophobicContact CB-CD1 4.01Å; D588-I591 HydrophobicContact CB-CG1 4.03Å; I591-N598 WeakPolarHBondContact O-CA 3.44Å; I591-N598 VanDerWaalsContact O-CB 3.31Å; I591-N598 WeakPolarHBondContact O-CB 3.4Å
592	T	79.9	Confident	77.3	Confident	66 Å²	66	45 Å²	45	41%	0.405	27%	0.267	S	S	.	.	B	Isolated β-bridge	trans	-104.1	140.5	175.3	55	0	0	0	0	111.8	Q559 T590 F597 N598	Q559-T592 PolarHBondContact NE2-O 2.75Å; T590-T592 PolarHBondContact O-N 2.76Å; T592-F597 CarbonylContact C-O 3.54Å; T592-F597 VanDerWaalsContact CA-O 3.29Å; T592-F597 WeakPolarHBondContact CA-O 3.47Å; T592-N598 HydrophobicContact CG2-CB 4.06Å
593	N	81.4	Confident	76.2	Confident	6 Å²	6	45.2 Å²	45.2	3%	0.032	27%	0.269	C	S	.	.			trans	-73.2	-179.9	170.1	74.2	8.2	0	0	0	113.3	G563 D564 N595 G596 F597 H602	G563-N593 VanDerWaalsContact O-CA 3.25Å; G563-N593 WeakPolarHBondContact O-CA 3.16Å; G563-N593 WeakPolarHBondContact O-CB 3.45Å; D564-N593 VanDerWaalsContact OD1-CB 3.3Å; D564-N593 WeakPolarHBondContact OD1-CB 3.41Å; D564-N593 PolarHBondContact OD1-ND2 2.94Å; N593-N595 PolarHBondContact O-N 2.99Å; N593-N595 WeakPolarHBondContact OD1-CA 3.4Å; N593-N595 WeakPolarHBondContact OD1-CB 3.18Å; N593-N595 PolarHBondContact OD1-N 2.79Å; N593-G596 PolarHBondContact O-N 3.2Å; N593-G596 PolarHBondContact OD1-N 3.32Å; N593-F597 PolarHBondContact N-O 2.91Å; N593-F597 PolarHBondContact OD1-N 3.3Å; N593-F597 PolarHBondContact OD1-O 2.82Å; N593-H602 PolarHBondContact ND2-NE2 2.94Å; N593-H602 VanDerWaalsContact ND2-NE2 3.15Å
594	N	80.3	Confident	75	Confident	116 Å²	116	44.1 Å²	44.1	62%	0.62	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-18.6	-179	-66.1	-13.9	0	0	0	113.5	S561 E562 G596	S561-N594 PolarHBondContact O-ND2 3.24Å; E562-N594 VanDerWaalsContact C-CG 3.41Å; E562-N594 VanDerWaalsContact C-ND2 3.26Å; E562-N594 WeakPolarHBondContact CA-ND2 3.44Å; E562-N594 WeakPolarHBondContact O-CB 3.48Å; E562-N594 PolarHBondContact O-N 3.49Å; E562-N594 PolarHBondContact O-ND2 3.28Å; N594-G596 VanDerWaalsContact C-N 3.35Å
595	N	69.4	Low	73.7	Confident	111 Å²	111	41 Å²	41	59%	0.594	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	0	175.5	-58.1	-74.2	0	0	0	112.9	N593 F597	N593-N595 PolarHBondContact O-N 2.99Å; N593-N595 WeakPolarHBondContact OD1-CA 3.4Å; N593-N595 WeakPolarHBondContact OD1-CB 3.18Å; N593-N595 PolarHBondContact OD1-N 2.79Å; N595-F597 VanDerWaalsContact C-N 3.31Å; N595-F597 HydrophobicContact CB-CD2 3.62Å; N595-F597 HydrophobicContact CB-CE2 3.75Å; N595-F597 HydrophobicContact CB-CG 4.48Å
596	G	62.4	Low	72.3	Confident	38 Å²	38	44.2 Å²	44.2	39%	0.392	25%	0.254	S	S	.	.	S	Bend	trans	78.9	9.1	-176.2	0	0	0	0	0	114.5	N593 N594	N593-G596 PolarHBondContact O-N 3.2Å; N593-G596 PolarHBondContact OD1-N 3.32Å; N594-G596 VanDerWaalsContact C-N 3.35Å
597	F	66.7	Low	70.5	Confident	44 Å²	44	43.1 Å²	43.1	19%	0.193	24%	0.243	C	C	.	.			trans	-89.5	130.4	177.4	-59.9	-49	0	0	0	110.8	H568 T592 N593 N595 H601 F635 L639	H568-F597 PolarHBondContact NE2-O 3.03Å; T592-F597 CarbonylContact C-O 3.54Å; T592-F597 VanDerWaalsContact CA-O 3.29Å; T592-F597 WeakPolarHBondContact CA-O 3.47Å; N593-F597 PolarHBondContact N-O 2.91Å; N593-F597 PolarHBondContact OD1-N 3.3Å; N593-F597 PolarHBondContact OD1-O 2.82Å; N595-F597 VanDerWaalsContact C-N 3.31Å; N595-F597 HydrophobicContact CB-CD2 3.62Å; N595-F597 HydrophobicContact CB-CE2 3.75Å; N595-F597 HydrophobicContact CB-CG 4.48Å; F597-H601 HydrophobicContact CB-CB 4.01Å; F597-H601 HydrophobicContact CD1-CB 3.87Å; F597-H601 HydrophobicContact CG-CB 4.34Å; F597-F635 HydrophobicContact CD1-CD1 4.47Å; F597-F635 AromaticContact CE1-CD1 3.9Å; F597-F635 HydrophobicContact CE1-CD1 3.9Å; F597-F635 AromaticContact CE1-CE1 3.67Å; F597-F635 HydrophobicContact CE1-CE1 3.67Å; F597-F635 HydrophobicContact CZ-CE1 4.43Å; F597-L639 HydrophobicContact CD1-CD1 4.1Å; F597-L639 HydrophobicContact CE1-CD1 3.86Å; F597-L639 HydrophobicContact CE1-CD2 4.37Å
598	N	72.9	Confident	68.5	Low	6 Å²	6	45.7 Å²	45.7	3%	0.032	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-91.7	177.7	163.5	66	28.4	0	0	0	111.4	H568 I591 T592 L600 H601 H602 C632	H568-N598 VanDerWaalsContact NE2-CA 3.35Å; H568-N598 WeakPolarHBondContact NE2-CA 3.39Å; I591-N598 WeakPolarHBondContact O-CA 3.44Å; I591-N598 VanDerWaalsContact O-CB 3.31Å; I591-N598 WeakPolarHBondContact O-CB 3.4Å; T592-N598 HydrophobicContact CG2-CB 4.06Å; N598-L600 PolarHBondContact O-N 3.11Å; N598-L600 WeakPolarHBondContact OD1-CA 3.33Å; N598-L600 VanDerWaalsContact OD1-CB 3.26Å; N598-L600 WeakPolarHBondContact OD1-CB 3.32Å; N598-L600 PolarHBondContact OD1-N 2.99Å; N598-L600 VanDerWaalsContact OD1-N 3.1Å; N598-H601 PolarHBondContact N-ND1 3.45Å; N598-H601 WeakPolarHBondContact O-CB 3.44Å; N598-H601 PolarHBondContact O-N 3.12Å; N598-H601 PolarHBondContact OD1-N 3.24Å; N598-H601 PolarHBondContact OD1-ND1 2.63Å; N598-H602 PolarHBondContact O-N 3.36Å; N598-C632 PolarHBondContact ND2-SG 2.82Å
599	A	74	Confident	66.7	Low	1 Å²	1	47 Å²	47	1%	0.008	27%	0.267	C	S	.	.	H	α-helix	trans	-55.9	-38.8	-178.5	0	0	0	0	0	112.1	L567 H568 I571 H601 H602 A603	L567-A599 HydrophobicContact CD2-CB 3.65Å; L567-A599 HydrophobicContact CG-CB 4.06Å; H568-A599 PolarHBondContact NE2-N 3.22Å; I571-A599 HydrophobicContact CD1-CB 3.76Å; I571-A599 WeakPolarHBondContact CD1-O 3.43Å; A599-H601 PolarHBondContact O-N 3.31Å; A599-H602 PolarHBondContact O-N 3.08Å; A599-A603 WeakPolarHBondContact O-CB 3.46Å; A599-A603 PolarHBondContact O-N 3.04Å
600	L	69.4	Low	65.1	Low	39 Å²	39	55.7 Å²	55.7	20%	0.204	30%	0.297	C	S	.	.	H	α-helix	trans	-64.5	-39.6	177.7	-153.2	81.3	0	0	0	112.2	N598 A604 L616 I619	N598-L600 PolarHBondContact O-N 3.11Å; N598-L600 WeakPolarHBondContact OD1-CA 3.33Å; N598-L600 VanDerWaalsContact OD1-CB 3.26Å; N598-L600 WeakPolarHBondContact OD1-CB 3.32Å; N598-L600 PolarHBondContact OD1-N 2.99Å; N598-L600 VanDerWaalsContact OD1-N 3.1Å; L600-A604 VanDerWaalsContact O-CB 3.31Å; L600-A604 WeakPolarHBondContact O-CB 3.11Å; L600-A604 PolarHBondContact O-N 3.26Å; L600-L616 HydrophobicContact CD1-CD2 3.51Å; L600-L616 HydrophobicContact CG-CD2 3.95Å; L600-I619 HydrophobicContact CD1-CB 4.31Å; L600-I619 HydrophobicContact CD1-CD1 4.36Å; L600-I619 HydrophobicContact CD1-CG2 3.72Å
601	H	66.3	Low	63.7	Low	13 Å²	13	54.7 Å²	54.7	6%	0.06	29%	0.289	C	S	.	.	H	α-helix	trans	-68.8	-44.6	176.9	-60.3	153.4	0	0	0	112.1	F597 N598 A599 A603 A604 L605 C632 L639	F597-H601 HydrophobicContact CB-CB 4.01Å; F597-H601 HydrophobicContact CD1-CB 3.87Å; F597-H601 HydrophobicContact CG-CB 4.34Å; N598-H601 PolarHBondContact N-ND1 3.45Å; N598-H601 WeakPolarHBondContact O-CB 3.44Å; N598-H601 PolarHBondContact O-N 3.12Å; N598-H601 PolarHBondContact OD1-N 3.24Å; N598-H601 PolarHBondContact OD1-ND1 2.63Å; A599-H601 PolarHBondContact O-N 3.31Å; H601-A603 PolarHBondContact O-N 2.62Å; H601-A604 WeakPolarHBondContact O-CB 3.36Å; H601-A604 PolarHBondContact O-N 3.47Å; H601-A604 VanDerWaalsContact O-N 3.16Å; H601-L605 PolarHBondContact O-N 2.9Å; H601-C632 VanDerWaalsContact CE1-SG 3.59Å; H601-C632 WeakPolarHBondContact NE2-CA 3.38Å; H601-C632 VanDerWaalsContact NE2-CB 3.34Å; H601-C632 WeakPolarHBondContact NE2-CB 3.34Å; H601-C632 PolarHBondContact NE2-O 3.03Å; H601-L639 HydrophobicContact CB-CD1 3.99Å; H601-L639 WeakPolarHBondContact O-CD1 3.39Å
602	H	67.2	Low	62.1	Low	31 Å²	31	53.2 Å²	53.2	14%	0.144	28%	0.283	C	S	.	.	H	α-helix	trans	-59.8	-44	173.9	-106.9	-87.1	0	0	0	111.6	D564 H568 I571 N593 N598 A599 A604 L605	D564-H602 IonicContact OD1-CD2 2.68Å; D564-H602 IonicContact OD1-CE1 2.67Å; D564-H602 IonicContact OD1-NE2 3.05Å; D564-H602 PolarHBondContact OD1-NE2 2.81Å; D564-H602 IonicContact OD2-CE1 2.68Å; D564-H602 IonicContact OD2-NE2 3.83Å; H568-H602 AromaticContact CD2-CD2 3.51Å; I571-H602 HydrophobicContact CG2-CB 4.2Å; N593-H602 PolarHBondContact ND2-NE2 2.94Å; N593-H602 VanDerWaalsContact ND2-NE2 3.15Å; N598-H602 PolarHBondContact O-N 3.36Å; A599-H602 PolarHBondContact O-N 3.08Å; H602-A604 VanDerWaalsContact C-N 3.3Å; H602-A604 PolarHBondContact O-N 2.83Å; H602-L605 WeakPolarHBondContact O-CB 3.39Å; H602-L605 PolarHBondContact O-N 3.37Å
603	A	66.7	Low	60.6	Low	4 Å²	4	52.6 Å²	52.6	3%	0.033	28%	0.281	C	S	.	.	H	α-helix	trans	-66.8	-30.2	175.5	0	0	0	0	0	112.9	I571 A599 H601 S612 A615	I571-A603 HydrophobicContact CD1-CB 4.24Å; I571-A603 HydrophobicContact CG2-CB 3.94Å; A599-A603 WeakPolarHBondContact O-CB 3.46Å; A599-A603 PolarHBondContact O-N 3.04Å; H601-A603 PolarHBondContact O-N 2.62Å; A603-S612 PolarHBondContact O-OG 2.93Å; A603-A615 HydrophobicContact CB-CB 4.46Å
604	A	59.7	Low	59.1	Low	6 Å²	6	57.7 Å²	57.7	5%	0.05	31%	0.305	C	S	.	.	H	α-helix	trans	-71.5	-37.8	175.7	0	0	0	0	0	112.5	L600 H601 H602 R606 K640	L600-A604 VanDerWaalsContact O-CB 3.31Å; L600-A604 WeakPolarHBondContact O-CB 3.11Å; L600-A604 PolarHBondContact O-N 3.26Å; H601-A604 WeakPolarHBondContact O-CB 3.36Å; H601-A604 PolarHBondContact O-N 3.47Å; H601-A604 VanDerWaalsContact O-N 3.16Å; H602-A604 VanDerWaalsContact C-N 3.3Å; H602-A604 PolarHBondContact O-N 2.83Å; A604-R606 VanDerWaalsContact C-N 3.31Å; A604-R606 PolarHBondContact O-N 2.83Å; A604-K640 HydrophobicContact CB-CD 4.35Å; A604-K640 PolarHBondContact O-NZ 3.17Å
605	L	58	Low	57.7	Low	86 Å²	86	52.5 Å²	52.5	45%	0.45	28%	0.278	S	S	.	.	H	α-helix	trans	-63.5	-31.2	-179.7	-170.5	71.4	0	0	0	113.2	H601 H602 G607 L639 L642	H601-L605 PolarHBondContact O-N 2.9Å; H602-L605 WeakPolarHBondContact O-CB 3.39Å; H602-L605 PolarHBondContact O-N 3.37Å; L605-G607 VanDerWaalsContact C-N 3.34Å; L605-G607 PolarHBondContact O-N 3.4Å; L605-L639 HydrophobicContact CB-CD1 4.38Å; L605-L639 HydrophobicContact CD1-CD1 4.34Å; L605-L639 HydrophobicContact CD1-CD2 3.89Å; L605-L639 HydrophobicContact CD1-CG 4.47Å; L605-L642 HydrophobicContact CD1-CD1 4.44Å
606	R	57.4	Low	56.9	Low	113 Å²	113	49.3 Å²	49.3	43%	0.426	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	5.9	-162.4	-131.3	179	-174.8	-160.1	2	117.9	I571 S572 A604 N608	I571-R606 PolarHBondContact O-NH1 3.02Å; S572-R606 PolarHBondContact O-NH1 3.31Å; S572-R606 PolarHBondContact O-NH2 3.48Å; A604-R606 VanDerWaalsContact C-N 3.31Å; A604-R606 PolarHBondContact O-N 2.83Å; R606-N608 PolarHBondContact O-N 2.91Å; R606-N608 VanDerWaalsContact O-N 3.16Å
607	G	45.4	Very low	56.4	Low	33 Å²	33	52.6 Å²	52.6	34%	0.34	27%	0.269	S	S	.	.			trans	72.7	6.7	152.2	0	0	0	0	0	120	L605 H645	L605-G607 VanDerWaalsContact C-N 3.34Å; L605-G607 PolarHBondContact O-N 3.4Å; G607-H645 WeakPolarHBondContact CA-NE2 3.41Å; G607-H645 PolarHBondContact O-CE1 2.92Å; G607-H645 PolarHBondContact O-NE2 3.4Å
608	N	46.3	Very low	55.5	Low	63 Å²	63	52.6 Å²	52.6	34%	0.337	28%	0.275	S	S	.	.			trans	-109.9	116.8	176.5	-160.4	2.4	0	0	0	111.1	R606 R610 D611 S612	R606-N608 PolarHBondContact O-N 2.91Å; R606-N608 VanDerWaalsContact O-N 3.16Å; N608-R610 VanDerWaalsContact C-N 3.29Å; N608-R610 PolarHBondContact O-N 3.24Å; N608-D611 HydrophobicContact CB-CB 4.13Å; N608-D611 WeakPolarHBondContact CB-OD2 3.12Å; N608-D611 PolarHBondContact ND2-OD1 2.88Å; N608-D611 PolarHBondContact ND2-OD2 3.38Å; N608-D611 PolarHBondContact O-N 3.16Å; N608-S612 WeakPolarHBondContact O-CB 3.25Å; N608-S612 PolarHBondContact O-N 3.14Å; N608-S612 PolarHBondContact O-OG 3.38Å
609	P	42.3	Very low	54.5	Low	89 Å²	89	52.7 Å²	52.7	58%	0.578	28%	0.275	S	S	*	.	H	α-helix	trans	-65.7	-24.2	-168.9	22.9	-34.5	0	0	0	115	S613	P609-S613 VanDerWaalsContact O-CB 3.31Å; P609-S613 WeakPolarHBondContact O-CB 3.17Å; P609-S613 PolarHBondContact O-N 3.41Å; P609-S613 PolarHBondContact O-OG 3.38Å
610	R	45.1	Very low	53.2	Low	206 Å²	206	55.6 Å²	55.6	78%	0.777	30%	0.295	S	S	*	.	H	α-helix	trans	-77.8	-58.2	173.6	-72.8	-174.6	176.2	-179.4	-0.9	111.1	N608 S612 S613 Q614	N608-R610 VanDerWaalsContact C-N 3.29Å; N608-R610 PolarHBondContact O-N 3.24Å; R610-S612 VanDerWaalsContact C-N 3.34Å; R610-S612 PolarHBondContact O-N 3.07Å; R610-S613 WeakPolarHBondContact O-CA 3.35Å; R610-S613 WeakPolarHBondContact O-CB 3.04Å; R610-S613 PolarHBondContact O-N 3.25Å; R610-S613 PolarHBondContact O-OG 3.47Å; R610-Q614 PolarHBondContact O-N 3.34Å
611	D	45.3	Very low	52.1	Low	39 Å²	39	58.6 Å²	58.6	21%	0.209	32%	0.319	C	S	.	.	H	α-helix	trans	-53.5	-49.5	-179.4	-38.5	6.5	0	0	0	110.5	K574 N608 S613 Q614 A615	K574-D611 WeakPolarHBondContact CE-OD2 3.38Å; K574-D611 IonicContact NZ-OD2 3.79Å; K574-D611 PolarHBondContact NZ-OD2 3.16Å; N608-D611 HydrophobicContact CB-CB 4.13Å; N608-D611 WeakPolarHBondContact CB-OD2 3.12Å; N608-D611 PolarHBondContact ND2-OD1 2.88Å; N608-D611 PolarHBondContact ND2-OD2 3.38Å; N608-D611 PolarHBondContact O-N 3.16Å; D611-S613 VanDerWaalsContact C-N 3.33Å; D611-S613 PolarHBondContact O-N 2.97Å; D611-Q614 PolarHBondContact O-N 2.95Å; D611-A615 PolarHBondContact O-N 2.69Å
612	S	47.6	Very low	50.9	Low	8 Å²	8	60.4 Å²	60.4	6%	0.056	33%	0.333	C	S	.	.	H	α-helix	trans	-59.1	-41	174.4	-72.7	0	0	0	0	112.1	A603 N608 R610 L616	A603-S612 PolarHBondContact O-OG 2.93Å; N608-S612 WeakPolarHBondContact O-CB 3.25Å; N608-S612 PolarHBondContact O-N 3.14Å; N608-S612 PolarHBondContact O-OG 3.38Å; R610-S612 VanDerWaalsContact C-N 3.34Å; R610-S612 PolarHBondContact O-N 3.07Å; S612-L616 WeakPolarHBondContact O-CB 3.45Å; S612-L616 WeakPolarHBondContact O-CD1 3.29Å; S612-L616 WeakPolarHBondContact O-CG 3.47Å; S612-L616 PolarHBondContact O-N 2.65Å
613	S	48.6	Very low	49.4	Very low	52 Å²	52	63.6 Å²	63.6	36%	0.364	36%	0.357	S	S	.	.	H	α-helix	trans	-67.8	-34.1	179.8	72.4	0	0	0	0	112.9	P609 R610 D611 N617	P609-S613 VanDerWaalsContact O-CB 3.31Å; P609-S613 WeakPolarHBondContact O-CB 3.17Å; P609-S613 PolarHBondContact O-N 3.41Å; P609-S613 PolarHBondContact O-OG 3.38Å; R610-S613 WeakPolarHBondContact O-CA 3.35Å; R610-S613 WeakPolarHBondContact O-CB 3.04Å; R610-S613 PolarHBondContact O-N 3.25Å; R610-S613 PolarHBondContact O-OG 3.47Å; D611-S613 VanDerWaalsContact C-N 3.33Å; D611-S613 PolarHBondContact O-N 2.97Å; S613-N617 VanDerWaalsContact O-CB 3.25Å; S613-N617 WeakPolarHBondContact O-CB 3.17Å; S613-N617 PolarHBondContact O-N 2.82Å; S613-N617 PolarHBondContact O-ND2 3.37Å; S613-N617 PolarHBondContact O-OD1 2.9Å
614	Q	50.5	Low	47.9	Very low	114 Å²	114	73 Å²	73	53%	0.533	39%	0.391	S	S	.	.	H	α-helix	trans	-73.2	-49.5	178.9	-173.9	164	-24.2	0	0	110.9	R610 D611 L616 N617 S618	R610-Q614 PolarHBondContact O-N 3.34Å; D611-Q614 PolarHBondContact O-N 2.95Å; Q614-L616 VanDerWaalsContact C-N 3.32Å; Q614-L616 PolarHBondContact O-N 3.36Å; Q614-N617 PolarHBondContact O-N 2.82Å; Q614-N617 VanDerWaalsContact O-N 3.17Å; Q614-S618 PolarHBondContact O-N 3.5Å; Q614-S618 PolarHBondContact O-OG 3.44Å
615	A	50.3	Low	46.8	Very low	6 Å²	6	77.4 Å²	77.4	5%	0.05	42%	0.421	C	S	.	.	H	α-helix	trans	-59.5	-42.3	174.2	0	0	0	0	0	112	L579 A603 D611 I619	L579-A615 HydrophobicContact CD2-CB 4.04Å; A603-A615 HydrophobicContact CB-CB 4.46Å; D611-A615 PolarHBondContact O-N 2.69Å; A615-I619 WeakPolarHBondContact O-CB 3.38Å; A615-I619 WeakPolarHBondContact O-CD1 3.44Å; A615-I619 VanDerWaalsContact O-CG1 3.28Å; A615-I619 WeakPolarHBondContact O-CG1 3.38Å; A615-I619 PolarHBondContact O-N 3.41Å
616	L	52.4	Low	45.7	Very low	44 Å²	44	79.3 Å²	79.3	23%	0.23	43%	0.431	C	S	.	.	H	α-helix	trans	-64.6	-39	175.1	-72.4	170.4	0	0	0	112.4	L600 S612 Q614 S620	L600-L616 HydrophobicContact CD1-CD2 3.51Å; L600-L616 HydrophobicContact CG-CD2 3.95Å; S612-L616 WeakPolarHBondContact O-CB 3.45Å; S612-L616 WeakPolarHBondContact O-CD1 3.29Å; S612-L616 WeakPolarHBondContact O-CG 3.47Å; S612-L616 PolarHBondContact O-N 2.65Å; Q614-L616 VanDerWaalsContact C-N 3.32Å; Q614-L616 PolarHBondContact O-N 3.36Å; L616-S620 WeakPolarHBondContact O-CB 3.49Å; L616-S620 PolarHBondContact O-N 2.89Å; L616-S620 PolarHBondContact O-OG 2.9Å
617	N	52.1	Low	44.8	Very low	107 Å²	107	78.4 Å²	78.4	57%	0.572	44%	0.435	S	S	*	.	H	α-helix	trans	-68.7	-42.8	177.5	-74.5	-15.9	0	0	0	112	S613 Q614 S620 S621	S613-N617 VanDerWaalsContact O-CB 3.25Å; S613-N617 WeakPolarHBondContact O-CB 3.17Å; S613-N617 PolarHBondContact O-N 2.82Å; S613-N617 PolarHBondContact O-ND2 3.37Å; S613-N617 PolarHBondContact O-OD1 2.9Å; Q614-N617 PolarHBondContact O-N 2.82Å; Q614-N617 VanDerWaalsContact O-N 3.17Å; N617-S620 PolarHBondContact O-N 3.16Å; N617-S621 PolarHBondContact O-N 3.46Å; N617-S621 VanDerWaalsContact O-N 3.12Å; N617-S621 PolarHBondContact O-OG 3.06Å
618	S	49	Very low	44.3	Very low	45 Å²	45	85.9 Å²	85.9	32%	0.315	46%	0.458	S	S	.	.	H	α-helix	trans	-60.4	-46.7	174.7	-64.7	0	0	0	0	111.7	Q614 S621	Q614-S618 PolarHBondContact O-N 3.5Å; Q614-S618 PolarHBondContact O-OG 3.44Å; S618-S621 WeakPolarHBondContact O-CB 3.35Å; S618-S621 PolarHBondContact O-N 3.06Å
619	I	51.2	Low	43.8	Very low	8 Å²	8	93.8 Å²	93.8	4%	0.041	48%	0.483	C	S	.	.	H	α-helix	trans	-69.6	-36.2	177.7	-65.1	166	0	0	0	111.6	L583 V589 L600 A615 S621 C622	L583-I619 HydrophobicContact CD1-CG1 3.89Å; L583-I619 HydrophobicContact CD2-CG1 4.34Å; V589-I619 HydrophobicContact CB-CG2 4.29Å; V589-I619 HydrophobicContact CG1-CG1 4.45Å; V589-I619 HydrophobicContact CG1-CG2 4.1Å; V589-I619 HydrophobicContact CG2-CG2 4.4Å; L600-I619 HydrophobicContact CD1-CB 4.31Å; L600-I619 HydrophobicContact CD1-CD1 4.36Å; L600-I619 HydrophobicContact CD1-CG2 3.72Å; A615-I619 WeakPolarHBondContact O-CB 3.38Å; A615-I619 WeakPolarHBondContact O-CD1 3.44Å; A615-I619 VanDerWaalsContact O-CG1 3.28Å; A615-I619 WeakPolarHBondContact O-CG1 3.38Å; A615-I619 PolarHBondContact O-N 3.41Å; I619-S621 PolarHBondContact O-N 3.03Å; I619-C622 WeakPolarHBondContact O-CB 3.34Å; I619-C622 PolarHBondContact O-N 3.05Å; I619-C622 PolarHBondContact O-SG 3.21Å
620	S	47.4	Very low	43.6	Very low	61 Å²	61	93.6 Å²	93.6	43%	0.427	49%	0.489	S	S	.	.	H	α-helix	trans	-72.8	-6.1	176.9	-56.9	0	0	0	0	114.1	L616 N617 C622	L616-S620 WeakPolarHBondContact O-CB 3.49Å; L616-S620 PolarHBondContact O-N 2.89Å; L616-S620 PolarHBondContact O-OG 2.9Å; N617-S620 PolarHBondContact O-N 3.16Å; S620-C622 VanDerWaalsContact C-N 3.28Å
621	S	45.8	Very low	43.6	Very low	102 Å²	102	86.9 Å²	86.9	71%	0.713	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-10.5	171.9	-58	0	0	0	0	112.5	N617 S618 I619	N617-S621 PolarHBondContact O-N 3.46Å; N617-S621 VanDerWaalsContact O-N 3.12Å; N617-S621 PolarHBondContact O-OG 3.06Å; S618-S621 WeakPolarHBondContact O-CB 3.35Å; S618-S621 PolarHBondContact O-N 3.06Å; I619-S621 PolarHBondContact O-N 3.03Å
622	C	41.3	Very low	43.5	Very low	52 Å²	52	86.9 Å²	86.9	35%	0.351	49%	0.487	S	S	.	.	S	Bend	trans	-72.2	148.5	173.4	-60.4	0	0	0	0	111.6	I619 S620 W624	I619-C622 WeakPolarHBondContact O-CB 3.34Å; I619-C622 PolarHBondContact O-N 3.05Å; I619-C622 PolarHBondContact O-SG 3.21Å; S620-C622 VanDerWaalsContact C-N 3.28Å; C622-W624 PolarHBondContact O-N 3.41Å
623	P	34.7	Very low	43.5	Very low	98 Å²	98	90.7 Å²	90.7	64%	0.636	50%	0.5	S	S	*	.			trans	-57.3	124.3	-177.1	-27.5	35.9	0	0	0	114.2	S625 L626	P623-S625 PolarHBondContact O-N 3.44Å; P623-L626 PolarHBondContact O-N 3.11Å
624	W	35.9	Very low	43.3	Very low	202 Å²	202	88.7 Å²	88.7	77%	0.765	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-14.4	-176.6	-93.5	-6	0	0	0	116.1	C622 L626	C622-W624 PolarHBondContact O-N 3.41Å; W624-L626 PolarHBondContact O-N 2.89Å
625	S	35.2	Very low	43	Very low	97 Å²	97	86.9 Å²	86.9	68%	0.678	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-27.8	-179	49	0	0	0	0	114.5	P623	P623-S625 PolarHBondContact O-N 3.44Å
626	L	35.9	Very low	42.7	Very low	126 Å²	126	87 Å²	87	66%	0.66	48%	0.477	S	S	*	.	G	3₁₀ helix	trans	-77.6	-27.4	179	-101	95.1	0	0	0	113.8	P623 W624 F628	P623-L626 PolarHBondContact O-N 3.11Å; W624-L626 PolarHBondContact O-N 2.89Å; L626-F628 PolarHBondContact O-N 3.26Å
627	L	37.9	Very low	42.5	Very low	95 Å²	95	85 Å²	85	50%	0.497	47%	0.466	S	S	.	.	G	3₁₀ helix	trans	-70	-4.2	-174.7	-73.3	165.7	0	0	0	114.3	R629	L627-R629 VanDerWaalsContact C-N 3.29Å; L627-R629 PolarHBondContact O-N 3.17Å
628	F	35.4	Very low	42.2	Very low	190 Å²	190	80.5 Å²	80.5	83%	0.833	44%	0.443	S	S	*	.	G	3₁₀ helix	trans	-80.7	0.5	-170.9	-133	-90	0	0	0	114.9	L626	L626-F628 PolarHBondContact O-N 3.26Å
629	R	36.3	Very low	41.9	Very low	229 Å²	229	78.9 Å²	78.9	86%	0.864	43%	0.43	S	S	*	.	S	Bend	trans	-116.2	118.8	-172.8	-137.5	166.4	-175.6	140.8	-0.4	111.6	L627	L627-R629 VanDerWaalsContact C-N 3.29Å; L627-R629 PolarHBondContact O-N 3.17Å
630	A	38.3	Very low	41.8	Very low	85 Å²	85	78.8 Å²	78.8	70%	0.702	43%	0.43	S	S	*	.	S	Bend	trans	64.8	93.9	175.3	0	0	0	0	0	118	C632	A630-C632 VanDerWaalsContact C-N 3.26Å; A630-C632 PolarHBondContact O-N 3.43Å; A630-C632 PolarHBondContact O-SG 3.4Å
631	G	44.2	Very low	41.5	Very low	64 Å²	64	76 Å²	76	66%	0.66	41%	0.41	S	S	*	.	S	Bend	trans	64.6	-13.9	139.2	0	0	0	0	0	121.6	Y633 F634	G631-Y633 VanDerWaalsContact C-N 3.28Å; G631-Y633 PolarHBondContact O-N 2.8Å; G631-F634 PolarHBondContact O-N 2.8Å
632	C	43.7	Very low	41.3	Very low	40 Å²	40	76.1 Å²	76.1	27%	0.27	40%	0.402	S	S	.	.	H	α-helix	trans	-62	-24.9	-159.7	-72.9	0	0	0	0	116.2	N598 H601 A630 F634 A636	N598-C632 PolarHBondContact ND2-SG 2.82Å; H601-C632 VanDerWaalsContact CE1-SG 3.59Å; H601-C632 WeakPolarHBondContact NE2-CA 3.38Å; H601-C632 VanDerWaalsContact NE2-CB 3.34Å; H601-C632 WeakPolarHBondContact NE2-CB 3.34Å; H601-C632 PolarHBondContact NE2-O 3.03Å; A630-C632 VanDerWaalsContact C-N 3.26Å; A630-C632 PolarHBondContact O-N 3.43Å; A630-C632 PolarHBondContact O-SG 3.4Å; C632-F634 VanDerWaalsContact C-N 3.31Å; C632-F634 PolarHBondContact O-N 3.39Å; C632-A636 PolarHBondContact O-N 3.23Å
633	Y	47.1	Very low	41.5	Very low	88 Å²	88	74.6 Å²	74.6	35%	0.345	40%	0.395	S	S	.	.	H	α-helix	trans	-61.5	-35.7	-179.2	-109.7	-92.2	0	0	0	113.6	G631 V637 L652 A658	G631-Y633 VanDerWaalsContact C-N 3.28Å; G631-Y633 PolarHBondContact O-N 2.8Å; Y633-V637 WeakPolarHBondContact O-CG2 3.46Å; Y633-V637 PolarHBondContact O-N 3.21Å; Y633-V637 VanDerWaalsContact O-N 3.13Å; Y633-L652 HydrophobicContact CD1-CD2 4.49Å; Y633-L652 HydrophobicContact CE1-CD2 3.81Å; Y633-A658 HydrophobicContact CD1-CB 3.77Å; Y633-A658 HydrophobicContact CE1-CB 3.92Å
634	F	45.6	Very low	42.1	Very low	10 Å²	10	75 Å²	75	4%	0.044	40%	0.4	C	S	.	.	H	α-helix	trans	-66.7	-48.4	-175.5	172	-115.7	0	0	0	112.6	G631 C632 A636 V637 T638 I662 Q663 N664	G631-F634 PolarHBondContact O-N 2.8Å; C632-F634 VanDerWaalsContact C-N 3.31Å; C632-F634 PolarHBondContact O-N 3.39Å; F634-A636 VanDerWaalsContact C-N 3.33Å; F634-A636 PolarHBondContact O-N 2.8Å; F634-V637 PolarHBondContact O-N 3.22Å; F634-T638 WeakPolarHBondContact CE2-OG1 3.46Å; F634-T638 WeakPolarHBondContact O-CB 3.44Å; F634-T638 PolarHBondContact O-N 3.24Å; F634-T638 PolarHBondContact O-OG1 3.05Å; F634-I662 HydrophobicContact CB-CB 3.8Å; F634-I662 HydrophobicContact CB-CD1 4Å; F634-I662 HydrophobicContact CB-CG1 4.49Å; F634-I662 HydrophobicContact CB-CG2 3.61Å; F634-I662 HydrophobicContact CD1-CB 4.34Å; F634-I662 HydrophobicContact CD1-CG2 3.67Å; F634-I662 HydrophobicContact CD2-CB 3.62Å; F634-I662 HydrophobicContact CD2-CG2 3.91Å; F634-I662 HydrophobicContact CE1-CG2 4.33Å; F634-I662 HydrophobicContact CE2-CB 4.31Å; F634-I662 WeakPolarHBondContact CE2-O 3.4Å; F634-I662 HydrophobicContact CG-CB 3.64Å; F634-I662 HydrophobicContact CG-CG2 3.42Å; F634-I662 VanDerWaalsContact CG-CG2 3.42Å; F634-I662 WeakPolarHBondContact CZ-O 3.28Å; F634-Q663 VanDerWaalsContact CE1-C 3.5Å; F634-N664 HydrophobicContact CE1-CB 3.76Å; F634-N664 HydrophobicContact CZ-CB 4.02Å
635	F	43.5	Very low	43.1	Very low	76 Å²	76	66.9 Å²	66.9	33%	0.333	37%	0.371	S	S	.	.	H	α-helix	trans	-70.3	-32.7	-178.8	-127.4	-77.5	0	0	0	111.8	F597 T638 L639	F597-F635 HydrophobicContact CD1-CD1 4.47Å; F597-F635 AromaticContact CE1-CD1 3.9Å; F597-F635 HydrophobicContact CE1-CD1 3.9Å; F597-F635 AromaticContact CE1-CE1 3.67Å; F597-F635 HydrophobicContact CE1-CE1 3.67Å; F597-F635 HydrophobicContact CZ-CE1 4.43Å; F635-T638 PolarHBondContact O-N 3.39Å; F635-L639 HydrophobicContact CD1-CD1 4.15Å; F635-L639 HydrophobicContact CD1-CD2 4.15Å; F635-L639 HydrophobicContact CD1-CG 3.88Å; F635-L639 HydrophobicContact CE1-CD2 3.98Å; F635-L639 HydrophobicContact CE1-CG 4.24Å; F635-L639 WeakPolarHBondContact O-CG 3.46Å; F635-L639 PolarHBondContact O-N 2.98Å
636	A	44.5	Very low	44.2	Very low	9 Å²	9	63.2 Å²	63.2	7%	0.074	34%	0.343	C	S	.	.	H	α-helix	trans	-60.7	-45.6	172.7	0	0	0	0	0	112.2	C632 F634 K640	C632-A636 PolarHBondContact O-N 3.23Å; F634-A636 VanDerWaalsContact C-N 3.33Å; F634-A636 PolarHBondContact O-N 2.8Å; A636-K640 PolarHBondContact O-N 3.36Å
637	V	47.4	Very low	45.1	Very low	2 Å²	2	62.6 Å²	62.6	1%	0.012	34%	0.337	C	S	.	.	H	α-helix	trans	-61.8	-46.7	172.1	167	0	0	0	0	110.7	Y633 F634 L639 K640 L641 L649 L652 A670	Y633-V637 WeakPolarHBondContact O-CG2 3.46Å; Y633-V637 PolarHBondContact O-N 3.21Å; Y633-V637 VanDerWaalsContact O-N 3.13Å; F634-V637 PolarHBondContact O-N 3.22Å; V637-L639 PolarHBondContact O-N 3.37Å; V637-K640 WeakPolarHBondContact O-CA 3.32Å; V637-K640 VanDerWaalsContact O-CB 3.29Å; V637-K640 WeakPolarHBondContact O-CB 3.28Å; V637-K640 PolarHBondContact O-N 3.29Å; V637-K640 VanDerWaalsContact O-N 3.07Å; V637-L641 PolarHBondContact O-N 3.21Å; V637-L649 HydrophobicContact CG1-CD1 3.89Å; V637-L649 HydrophobicContact CG2-CD1 4.3Å; V637-L652 HydrophobicContact CG2-CD1 4.24Å; V637-A670 HydrophobicContact CG1-CB 3.99Å
638	T	46.2	Very low	45.8	Very low	12 Å²	12	59.3 Å²	59.3	7%	0.074	32%	0.322	C	S	.	.	H	α-helix	trans	-60.9	-43.8	-176.8	-60.8	0	0	0	0	112.8	F634 F635 K640 L641 L673	F634-T638 WeakPolarHBondContact CE2-OG1 3.46Å; F634-T638 WeakPolarHBondContact O-CB 3.44Å; F634-T638 PolarHBondContact O-N 3.24Å; F634-T638 PolarHBondContact O-OG1 3.05Å; F635-T638 PolarHBondContact O-N 3.39Å; T638-K640 VanDerWaalsContact C-N 3.31Å; T638-K640 PolarHBondContact O-N 3.28Å; T638-L641 VanDerWaalsContact O-CB 3.3Å; T638-L641 WeakPolarHBondContact O-CB 3.35Å; T638-L641 PolarHBondContact O-N 3.01Å; T638-L673 HydrophobicContact CG2-CD1 3.45Å; T638-L673 VanDerWaalsContact CG2-CD1 3.45Å
639	L	43.1	Very low	46.9	Very low	11 Å²	11	50.4 Å²	50.4	6%	0.058	28%	0.283	C	S	.	.	H	α-helix	trans	-69.2	-30	175.1	-63.6	179.9	0	0	0	112.3	F597 H601 L605 F635 V637 L641 L642	F597-L639 HydrophobicContact CD1-CD1 4.1Å; F597-L639 HydrophobicContact CE1-CD1 3.86Å; F597-L639 HydrophobicContact CE1-CD2 4.37Å; H601-L639 HydrophobicContact CB-CD1 3.99Å; H601-L639 WeakPolarHBondContact O-CD1 3.39Å; L605-L639 HydrophobicContact CB-CD1 4.38Å; L605-L639 HydrophobicContact CD1-CD1 4.34Å; L605-L639 HydrophobicContact CD1-CD2 3.89Å; L605-L639 HydrophobicContact CD1-CG 4.47Å; F635-L639 HydrophobicContact CD1-CD1 4.15Å; F635-L639 HydrophobicContact CD1-CD2 4.15Å; F635-L639 HydrophobicContact CD1-CG 3.88Å; F635-L639 HydrophobicContact CE1-CD2 3.98Å; F635-L639 HydrophobicContact CE1-CG 4.24Å; F635-L639 WeakPolarHBondContact O-CG 3.46Å; F635-L639 PolarHBondContact O-N 2.98Å; V637-L639 PolarHBondContact O-N 3.37Å; L639-L641 PolarHBondContact O-N 3.33Å; L639-L641 VanDerWaalsContact O-N 3.15Å; L639-L642 HydrophobicContact CD2-CD1 3.83Å; L639-L642 PolarHBondContact O-N 2.92Å; L639-L642 VanDerWaalsContact O-N 3.07Å
640	K	47.8	Very low	48	Very low	6 Å²	6	44.1 Å²	44.1	3%	0.026	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-13.9	173.1	-133.8	73.6	-135.6	176.7	0	113.4	A604 A636 V637 T638 G643 H645 S648	A604-K640 HydrophobicContact CB-CD 4.35Å; A604-K640 PolarHBondContact O-NZ 3.17Å; A636-K640 PolarHBondContact O-N 3.36Å; V637-K640 WeakPolarHBondContact O-CA 3.32Å; V637-K640 VanDerWaalsContact O-CB 3.29Å; V637-K640 WeakPolarHBondContact O-CB 3.28Å; V637-K640 PolarHBondContact O-N 3.29Å; V637-K640 VanDerWaalsContact O-N 3.07Å; T638-K640 VanDerWaalsContact C-N 3.31Å; T638-K640 PolarHBondContact O-N 3.28Å; K640-G643 VanDerWaalsContact O-O 3.07Å; K640-H645 HydrophobicContact CG-CB 4.22Å; K640-S648 WeakPolarHBondContact CE-OG 3.49Å; K640-S648 WeakPolarHBondContact CG-OG 3.47Å
641	L	41.7	Very low	48.9	Very low	3 Å²	3	45.1 Å²	45.1	2%	0.016	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-17.8	173.5	-53.7	177.4	0	0	0	113.7	V637 T638 L639 G643 L649 A670 L673 A674 H679 I682	V637-L641 PolarHBondContact O-N 3.21Å; T638-L641 VanDerWaalsContact O-CB 3.3Å; T638-L641 WeakPolarHBondContact O-CB 3.35Å; T638-L641 PolarHBondContact O-N 3.01Å; L639-L641 PolarHBondContact O-N 3.33Å; L639-L641 VanDerWaalsContact O-N 3.15Å; L641-G643 VanDerWaalsContact C-N 3.32Å; L641-L649 HydrophobicContact CD2-CD2 4.35Å; L641-A670 HydrophobicContact CD1-CB 4.14Å; L641-A670 WeakPolarHBondContact CD1-O 3.23Å; L641-L673 HydrophobicContact CD1-CB 4.13Å; L641-A674 HydrophobicContact CD1-CB 4.36Å; L641-A674 HydrophobicContact CD2-CB 4.42Å; L641-H679 PolarHBondContact O-CD2 3.01Å; L641-H679 PolarHBondContact O-NE2 3.1Å; L641-I682 HydrophobicContact CD2-CD1 4.31Å; L641-I682 HydrophobicContact CD2-CG2 3.43Å; L641-I682 VanDerWaalsContact CD2-CG2 3.43Å
642	L	41	Very low	49.5	Very low	103 Å²	103	43.7 Å²	43.7	54%	0.539	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-10.8	-177	-64.8	173.1	0	0	0	113.4	L605 L639	L605-L642 HydrophobicContact CD1-CD1 4.44Å; L639-L642 HydrophobicContact CD2-CD1 3.83Å; L639-L642 PolarHBondContact O-N 2.92Å; L639-L642 VanDerWaalsContact O-N 3.07Å
643	G	46.8	Very low	50.3	Low	20 Å²	20	43.9 Å²	43.9	21%	0.206	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132.9	157.7	171.1	0	0	0	0	0	111	K640 L641 H645	K640-G643 VanDerWaalsContact O-O 3.07Å; L641-G643 VanDerWaalsContact C-N 3.32Å; G643-H645 VanDerWaalsContact C-N 3.26Å; G643-H645 PolarHBondContact O-CD2 3.05Å; G643-H645 PolarHBondContact O-N 3.32Å
644	S	45.8	Very low	50.7	Low	106 Å²	106	47.5 Å²	47.5	74%	0.741	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.5	68.3	-172.2	-169.1	0	0	0	0	112.9
645	H	57.4	Low	51	Low	33 Å²	33	52.2 Å²	52.2	15%	0.153	27%	0.269	C	S	.	.			trans	-120	52.1	-166.1	-54.7	-51.8	0	0	0	113.8	G607 K640 G643 E647 S648 L649	G607-H645 WeakPolarHBondContact CA-NE2 3.41Å; G607-H645 PolarHBondContact O-CE1 2.92Å; G607-H645 PolarHBondContact O-NE2 3.4Å; K640-H645 HydrophobicContact CG-CB 4.22Å; G643-H645 VanDerWaalsContact C-N 3.26Å; G643-H645 PolarHBondContact O-CD2 3.05Å; G643-H645 PolarHBondContact O-N 3.32Å; H645-E647 VanDerWaalsContact C-N 3.32Å; H645-E647 PolarHBondContact O-N 2.72Å; H645-S648 WeakPolarHBondContact CB-OG 3.01Å; H645-S648 PolarHBondContact O-N 3.49Å; H645-S648 PolarHBondContact O-OG 3.01Å; H645-L649 PolarHBondContact O-N 3.03Å
646	I	58.5	Low	51.2	Low	20 Å²	20	51.5 Å²	51.5	10%	0.103	28%	0.283	C	S	.	.	H	α-helix	trans	-49.4	-45.7	179.3	-75.1	165.1	0	0	0	113.1	S648 L649 R650 Q681 I682 L685	I646-S648 PolarHBondContact O-N 3.47Å; I646-L649 PolarHBondContact O-N 3.3Å; I646-R650 HydrophobicContact CG2-CG 4.39Å; I646-R650 WeakPolarHBondContact O-CG 3.5Å; I646-R650 PolarHBondContact O-N 3.07Å; I646-Q681 HydrophobicContact CD1-CB 3.71Å; I646-Q681 HydrophobicContact CD1-CG 4.48Å; I646-I682 HydrophobicContact CG1-CG1 4.02Å; I646-L685 HydrophobicContact CB-CD1 4.41Å; I646-L685 HydrophobicContact CG1-CD1 4.22Å; I646-L685 HydrophobicContact CG2-CD1 3.64Å
647	E	55.5	Low	51.4	Low	113 Å²	113	57.4 Å²	57.4	53%	0.528	31%	0.313	S	S	.	.	H	α-helix	trans	-67.3	-36.7	-175.1	-55.1	-50.6	145.2	0	0	112.8	H645 R650 L651	H645-E647 VanDerWaalsContact C-N 3.32Å; H645-E647 PolarHBondContact O-N 2.72Å; E647-R650 WeakPolarHBondContact O-CB 3.46Å; E647-R650 PolarHBondContact O-N 3.29Å; E647-R650 IonicContact OE1-CZ 3.91Å; E647-R650 IonicContact OE1-NH1 3.81Å; E647-R650 PolarHBondContact OE1-NH1 3.28Å; E647-R650 IonicContact OE1-NH2 3.47Å; E647-R650 WeakPolarHBondContact OE2-CD 3.36Å; E647-R650 IonicContact OE2-CZ 2.65Å; E647-R650 IonicContact OE2-NE 3.55Å; E647-R650 IonicContact OE2-NH1 2.7Å; E647-R650 PolarHBondContact OE2-NH1 3.18Å; E647-L651 WeakPolarHBondContact O-CG 3.48Å; E647-L651 PolarHBondContact O-N 3.32Å
648	S	53	Low	51.7	Low	26 Å²	26	58.2 Å²	58.2	18%	0.182	32%	0.32	C	S	.	.	H	α-helix	trans	-69.4	-32.6	173.6	49	0	0	0	0	113.2	K640 H645 I646 L651 L652	K640-S648 WeakPolarHBondContact CE-OG 3.49Å; K640-S648 WeakPolarHBondContact CG-OG 3.47Å; H645-S648 WeakPolarHBondContact CB-OG 3.01Å; H645-S648 PolarHBondContact O-N 3.49Å; H645-S648 PolarHBondContact O-OG 3.01Å; I646-S648 PolarHBondContact O-N 3.47Å; S648-L651 PolarHBondContact O-N 3.05Å; S648-L652 WeakPolarHBondContact O-CG 3.43Å; S648-L652 PolarHBondContact O-N 3.37Å; S648-L652 VanDerWaalsContact O-N 3.08Å
649	L	58.6	Low	52.5	Low	2 Å²	2	60.6 Å²	60.6	1%	0.01	34%	0.338	C	S	.	.	H	α-helix	trans	-69	-38.7	171.9	-176.9	62.4	0	0	0	111.1	V637 L641 H645 I646 L652 I653 I682 L686	V637-L649 HydrophobicContact CG1-CD1 3.89Å; V637-L649 HydrophobicContact CG2-CD1 4.3Å; L641-L649 HydrophobicContact CD2-CD2 4.35Å; H645-L649 PolarHBondContact O-N 3.03Å; I646-L649 PolarHBondContact O-N 3.3Å; L649-L652 PolarHBondContact O-N 3.46Å; L649-I653 HydrophobicContact CD1-CD1 4.17Å; L649-I653 HydrophobicContact CG-CD1 3.96Å; L649-I653 VanDerWaalsContact O-CG1 3.28Å; L649-I653 WeakPolarHBondContact O-CG1 3.21Å; L649-I653 PolarHBondContact O-N 3.09Å; L649-I682 HydrophobicContact CD2-CG2 3.44Å; L649-I682 VanDerWaalsContact CD2-CG2 3.44Å; L649-L686 HydrophobicContact CD2-CD2 4.44Å
650	R	59.1	Low	53.6	Low	97 Å²	97	60.8 Å²	60.8	37%	0.366	34%	0.339	S	S	.	.	H	α-helix	trans	-61.7	-41.5	172.4	-73.9	179.2	-174.9	157.7	5.2	112.3	I646 E647 I653 H654 L685	I646-R650 HydrophobicContact CG2-CG 4.39Å; I646-R650 WeakPolarHBondContact O-CG 3.5Å; I646-R650 PolarHBondContact O-N 3.07Å; E647-R650 WeakPolarHBondContact O-CB 3.46Å; E647-R650 PolarHBondContact O-N 3.29Å; E647-R650 IonicContact OE1-CZ 3.91Å; E647-R650 IonicContact OE1-NH1 3.81Å; E647-R650 PolarHBondContact OE1-NH1 3.28Å; E647-R650 IonicContact OE1-NH2 3.47Å; E647-R650 WeakPolarHBondContact OE2-CD 3.36Å; E647-R650 IonicContact OE2-CZ 2.65Å; E647-R650 IonicContact OE2-NE 3.55Å; E647-R650 IonicContact OE2-NH1 2.7Å; E647-R650 PolarHBondContact OE2-NH1 3.18Å; R650-I653 PolarHBondContact O-N 2.79Å; R650-H654 WeakPolarHBondContact O-CB 3.22Å; R650-H654 PolarHBondContact O-N 3.5Å; R650-H654 PolarHBondContact O-ND1 2.97Å; R650-L685 HydrophobicContact CG-CD1 4.49Å; R650-L685 HydrophobicContact CG-CD2 4.32Å
651	L	56.8	Low	54.7	Low	106 Å²	106	62.4 Å²	62.4	56%	0.555	35%	0.348	S	S	*	.	H	α-helix	trans	-61.4	-48.4	176.1	-74.6	166.8	0	0	0	111.4	E647 S648 I653 H654 Q655	E647-L651 WeakPolarHBondContact O-CG 3.48Å; E647-L651 PolarHBondContact O-N 3.32Å; S648-L651 PolarHBondContact O-N 3.05Å; L651-I653 VanDerWaalsContact C-N 3.27Å; L651-I653 PolarHBondContact O-N 2.65Å; L651-H654 PolarHBondContact O-N 2.71Å; L651-Q655 WeakPolarHBondContact O-CB 3.38Å; L651-Q655 WeakPolarHBondContact O-CG 3.33Å; L651-Q655 PolarHBondContact O-N 3.29Å
652	L	55.8	Low	55.9	Low	34 Å²	34	65.3 Å²	65.3	18%	0.178	36%	0.362	C	S	.	.	H	α-helix	trans	-58.5	-36.9	175.6	-73.8	164.4	0	0	0	112.8	Y633 V637 S648 L649	Y633-L652 HydrophobicContact CD1-CD2 4.49Å; Y633-L652 HydrophobicContact CE1-CD2 3.81Å; V637-L652 HydrophobicContact CG2-CD1 4.24Å; S648-L652 WeakPolarHBondContact O-CG 3.43Å; S648-L652 PolarHBondContact O-N 3.37Å; S648-L652 VanDerWaalsContact O-N 3.08Å; L649-L652 PolarHBondContact O-N 3.46Å
653	I	60.7	Low	57.3	Low	45 Å²	45	64.5 Å²	64.5	23%	0.231	36%	0.356	C	S	.	.	H	α-helix	trans	-75.7	-42.4	177.1	-67.8	169.2	0	0	0	111.5	L649 R650 L651 Q655 G656 A689	L649-I653 HydrophobicContact CD1-CD1 4.17Å; L649-I653 HydrophobicContact CG-CD1 3.96Å; L649-I653 VanDerWaalsContact O-CG1 3.28Å; L649-I653 WeakPolarHBondContact O-CG1 3.21Å; L649-I653 PolarHBondContact O-N 3.09Å; R650-I653 PolarHBondContact O-N 2.79Å; L651-I653 VanDerWaalsContact C-N 3.27Å; L651-I653 PolarHBondContact O-N 2.65Å; I653-Q655 PolarHBondContact O-N 3.26Å; I653-G656 PolarHBondContact O-N 2.91Å; I653-A689 HydrophobicContact CD1-CB 4.2Å; I653-A689 HydrophobicContact CG2-CB 4Å
654	H	56.6	Low	58	Low	163 Å²	163	65 Å²	65	76%	0.755	35%	0.354	S	S	*	.	H	α-helix	trans	-68.4	-21.9	178.8	-79.9	69.1	0	0	0	113.3	R650 L651 G656	R650-H654 WeakPolarHBondContact O-CB 3.22Å; R650-H654 PolarHBondContact O-N 3.5Å; R650-H654 PolarHBondContact O-ND1 2.97Å; L651-H654 PolarHBondContact O-N 2.71Å; H654-G656 PolarHBondContact O-N 2.83Å
655	Q	52.2	Low	58.8	Low	110 Å²	110	67 Å²	67	51%	0.514	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	1.8	171.1	-72.4	173.3	-16.2	0	0	113.3	L651 I653 N657	L651-Q655 WeakPolarHBondContact O-CB 3.38Å; L651-Q655 WeakPolarHBondContact O-CG 3.33Å; L651-Q655 PolarHBondContact O-N 3.29Å; I653-Q655 PolarHBondContact O-N 3.26Å; Q655-N657 VanDerWaalsContact C-N 3.29Å; Q655-N657 PolarHBondContact O-N 2.74Å
656	G	46.7	Very low	59	Low	60 Å²	60	69.1 Å²	69.1	62%	0.619	37%	0.373	S	S	*	.	S	Bend	trans	80.5	-18.2	158.9	0	0	0	0	0	117.6	I653 H654	I653-G656 PolarHBondContact O-N 2.91Å; H654-G656 PolarHBondContact O-N 2.83Å
657	N	48.6	Very low	59.8	Low	133 Å²	133	72.5 Å²	72.5	71%	0.711	39%	0.389	S	S	*	.			trans	-108.9	9.9	-170.5	-74.8	-8.5	0	0	0	115.3	Q655 S659	Q655-N657 VanDerWaalsContact C-N 3.29Å; Q655-N657 PolarHBondContact O-N 2.74Å; N657-S659 PolarHBondContact O-N 3.48Å
658	A	54.2	Low	60.8	Low	20 Å²	20	68.4 Å²	68.4	17%	0.165	37%	0.37	C	S	.	.			trans	-83.7	109.2	-179.1	0	0	0	0	0	112.6	Y633 L660	Y633-A658 HydrophobicContact CD1-CB 3.77Å; Y633-A658 HydrophobicContact CE1-CB 3.92Å; A658-L660 PolarHBondContact O-N 3.18Å
659	S	62.6	Low	62	Low	62 Å²	62	67.2 Å²	67.2	43%	0.434	36%	0.361	S	S	.	.			trans	-77.7	119.3	172.2	-172.4	0	0	0	0	111.4	N657	N657-S659 PolarHBondContact O-N 3.48Å
660	L	67.3	Low	62.8	Low	15 Å²	15	67.1 Å²	67.1	8%	0.079	36%	0.361	C	S	.	.	S	Bend	trans	-89	-18.3	-173.6	-54.4	-179	0	0	0	114	A658 L686 A689 A691	A658-L660 PolarHBondContact O-N 3.18Å; L660-L686 HydrophobicContact CD1-CD2 4.29Å; L660-L686 HydrophobicContact CD2-CD2 4.06Å; L660-A689 HydrophobicContact CD1-CB 3.6Å; L660-A689 WeakPolarHBondContact CD1-O 3.5Å; L660-A691 HydrophobicContact CB-CB 3.88Å; L660-A691 HydrophobicContact CD1-CB 3.91Å
661	D	70.1	Confident	63.7	Low	40 Å²	40	62.6 Å²	62.6	21%	0.214	34%	0.344	C	S	.	.			trans	-95	0	-170.8	-57.1	-35.4	0	0	0	114.2	K692	D661-K692 HydrophobicContact CB-CD 4.49Å; D661-K692 WeakPolarHBondContact OD1-CB 3.47Å; D661-K692 PolarHBondContact OD1-N 3.42Å; D661-K692 WeakPolarHBondContact OD2-CG 3.32Å; D661-K692 IonicContact OD2-NZ 3.58Å; D661-K692 PolarHBondContact OD2-NZ 3.31Å
662	I	67.6	Low	64.8	Low	64 Å²	64	57.7 Å²	57.7	33%	0.328	32%	0.318	S	S	.	.			trans	-61.9	150.5	175.4	-61.5	170.9	0	0	0	108.8	F634 T669	F634-I662 HydrophobicContact CB-CB 3.8Å; F634-I662 HydrophobicContact CB-CD1 4Å; F634-I662 HydrophobicContact CB-CG1 4.49Å; F634-I662 HydrophobicContact CB-CG2 3.61Å; F634-I662 HydrophobicContact CD1-CB 4.34Å; F634-I662 HydrophobicContact CD1-CG2 3.67Å; F634-I662 HydrophobicContact CD2-CB 3.62Å; F634-I662 HydrophobicContact CD2-CG2 3.91Å; F634-I662 HydrophobicContact CE1-CG2 4.33Å; F634-I662 HydrophobicContact CE2-CB 4.31Å; F634-I662 WeakPolarHBondContact CE2-O 3.4Å; F634-I662 HydrophobicContact CG-CB 3.64Å; F634-I662 HydrophobicContact CG-CG2 3.42Å; F634-I662 VanDerWaalsContact CG-CG2 3.42Å; F634-I662 WeakPolarHBondContact CZ-O 3.28Å; I662-T669 WeakPolarHBondContact O-CA 3.37Å
663	Q	68.9	Low	65.8	Low	85 Å²	85	57.3 Å²	57.3	40%	0.397	32%	0.316	S	S	.	.			trans	-115.7	145	-173.9	-67.1	178.1	-75.2	0	0	111.2	F634 Q667 Q668 T669 V695 Q696	F634-Q663 VanDerWaalsContact CE1-C 3.5Å; Q663-Q667 WeakPolarHBondContact CG-O 3.38Å; Q663-Q667 PolarHBondContact NE2-O 3.46Å; Q663-Q668 CarbonylContact C-O 3.6Å; Q663-Q668 WeakPolarHBondContact CA-O 3.4Å; Q663-T669 HydrophobicContact CG-CG2 3.88Å; Q663-V695 HydrophobicContact CG-CG1 4.18Å; Q663-Q696 PolarHBondContact NE2-O 3.07Å; Q663-Q696 VanDerWaalsContact NE2-O 3.07Å
664	N	61.7	Low	66.5	Low	32 Å²	32	55.2 Å²	55.2	17%	0.171	31%	0.305	C	S	.	.			trans	-81.4	-174.7	174.6	75.2	4.4	0	0	0	112.2	F634 N666 Q667 Q668	F634-N664 HydrophobicContact CE1-CB 3.76Å; F634-N664 HydrophobicContact CZ-CB 4.02Å; N664-N666 PolarHBondContact O-N 3.35Å; N664-N666 VanDerWaalsContact OD1-C 3.23Å; N664-N666 VanDerWaalsContact OD1-CA 3.26Å; N664-N666 WeakPolarHBondContact OD1-CA 3.31Å; N664-N666 WeakPolarHBondContact OD1-CB 3.39Å; N664-N666 PolarHBondContact OD1-N 3.34Å; N664-Q667 WeakPolarHBondContact O-CA 3.49Å; N664-Q667 PolarHBondContact O-N 3Å; N664-Q667 PolarHBondContact OD1-N 3.21Å; N664-Q667 VanDerWaalsContact OD1-N 3.17Å; N664-Q668 PolarHBondContact N-O 3.03Å; N664-Q668 PolarHBondContact ND2-OE1 3.27Å; N664-Q668 WeakPolarHBondContact OD1-CB 3.34Å; N664-Q668 PolarHBondContact OD1-N 3.32Å
665	V	62.7	Low	67.7	Low	146 Å²	146	47.4 Å²	47.4	89%	0.885	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-27.7	177.3	-176.2	0	0	0	0	112.6	Q667	V665-Q667 VanDerWaalsContact C-N 3.3Å
666	N	62.2	Low	68.8	Low	78 Å²	78	44.1 Å²	44.1	42%	0.417	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	15.1	173	-59.3	-33	0	0	0	112.9	N664 Q668 K698	N664-N666 PolarHBondContact O-N 3.35Å; N664-N666 VanDerWaalsContact OD1-C 3.23Å; N664-N666 VanDerWaalsContact OD1-CA 3.26Å; N664-N666 WeakPolarHBondContact OD1-CA 3.31Å; N664-N666 WeakPolarHBondContact OD1-CB 3.39Å; N664-N666 PolarHBondContact OD1-N 3.34Å; N666-Q668 HydrophobicContact CB-CG 4.01Å; N666-Q668 PolarHBondContact O-N 3.18Å; N666-Q668 VanDerWaalsContact O-N 3.09Å; N666-K698 HydrophobicContact CB-CB 4.47Å; N666-K698 WeakPolarHBondContact O-CB 3.46Å; N666-K698 PolarHBondContact O-N 2.81Å
667	Q	76	Confident	70	Confident	91 Å²	91	47.6 Å²	47.6	43%	0.425	25%	0.248	S	C	.	.	S	Bend	trans	59.6	11.6	-175	-61.9	175.4	-16.4	0	0	115.3	Q663 N664 V665	Q663-Q667 WeakPolarHBondContact CG-O 3.38Å; Q663-Q667 PolarHBondContact NE2-O 3.46Å; N664-Q667 WeakPolarHBondContact O-CA 3.49Å; N664-Q667 PolarHBondContact O-N 3Å; N664-Q667 PolarHBondContact OD1-N 3.21Å; N664-Q667 VanDerWaalsContact OD1-N 3.17Å; V665-Q667 VanDerWaalsContact C-N 3.3Å
668	Q	75.9	Confident	71.1	Confident	27 Å²	27	43.2 Å²	43.2	13%	0.126	22%	0.224	C	C	.	.			trans	-80.8	138.5	179.8	-56	167.6	-65.5	0	0	111.2	Q663 N664 N666 H672 L673 D697	Q663-Q668 CarbonylContact C-O 3.6Å; Q663-Q668 WeakPolarHBondContact CA-O 3.4Å; N664-Q668 PolarHBondContact N-O 3.03Å; N664-Q668 PolarHBondContact ND2-OE1 3.27Å; N664-Q668 WeakPolarHBondContact OD1-CB 3.34Å; N664-Q668 PolarHBondContact OD1-N 3.32Å; N666-Q668 HydrophobicContact CB-CG 4.01Å; N666-Q668 PolarHBondContact O-N 3.18Å; N666-Q668 VanDerWaalsContact O-N 3.09Å; Q668-H672 HydrophobicContact CB-CB 4.02Å; Q668-L673 HydrophobicContact CB-CG 4.5Å; Q668-D697 HydrophobicContact CG-CB 3.94Å
669	T	79.1	Confident	71.9	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.006	23%	0.23	C	C	.	.			trans	-89.6	171.1	171.4	70	0	0	0	0	112.3	I662 Q663 L671 H672 L673 V695	I662-T669 WeakPolarHBondContact O-CA 3.37Å; Q663-T669 HydrophobicContact CG-CG2 3.88Å; T669-L671 PolarHBondContact O-N 3.33Å; T669-L671 VanDerWaalsContact O-N 3.16Å; T669-L671 PolarHBondContact OG1-N 3.13Å; T669-H672 PolarHBondContact N-ND1 3.02Å; T669-H672 VanDerWaalsContact N-ND1 3.14Å; T669-H672 WeakPolarHBondContact O-CB 3.5Å; T669-H672 PolarHBondContact O-N 3.42Å; T669-H672 VanDerWaalsContact O-N 3.09Å; T669-H672 PolarHBondContact OG1-ND1 2.79Å; T669-L673 PolarHBondContact O-N 3.08Å; T669-V695 HydrophobicContact CG2-CB 3.9Å; T669-V695 HydrophobicContact CG2-CG1 3.66Å; T669-V695 HydrophobicContact CG2-CG2 4.18Å
670	A	73.5	Confident	72.4	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-54.8	-32	172.9	0	0	0	0	0	113	V637 L641 A674 L686	V637-A670 HydrophobicContact CG1-CB 3.99Å; L641-A670 HydrophobicContact CD1-CB 4.14Å; L641-A670 WeakPolarHBondContact CD1-O 3.23Å; A670-A674 WeakPolarHBondContact O-CB 3.47Å; A670-A674 PolarHBondContact O-N 3.45Å; A670-A674 VanDerWaalsContact O-N 3.14Å; A670-L686 HydrophobicContact CB-CD1 4.36Å
671	L	79.8	Confident	72.4	Confident	2 Å²	2	49.7 Å²	49.7	1%	0.01	25%	0.246	C	C	.	.	H	α-helix	trans	-70.5	-35.9	178.3	-174.5	59.3	0	0	0	112.6	T669 V675 V683 L686 V687 L693 P703 L759	T669-L671 PolarHBondContact O-N 3.33Å; T669-L671 VanDerWaalsContact O-N 3.16Å; T669-L671 PolarHBondContact OG1-N 3.13Å; L671-V675 VanDerWaalsContact O-CG2 3.28Å; L671-V675 WeakPolarHBondContact O-CG2 3.37Å; L671-V675 PolarHBondContact O-N 2.87Å; L671-V683 HydrophobicContact CD1-CG1 4.14Å; L671-L686 HydrophobicContact CB-CD1 4.48Å; L671-L686 HydrophobicContact CD1-CB 4.21Å; L671-L686 HydrophobicContact CD1-CD1 4.29Å; L671-V687 HydrophobicContact CD1-CG2 4.17Å; L671-L693 HydrophobicContact CD2-CD2 3.79Å; L671-P703 HydrophobicContact CB-CG 4.28Å; L671-P703 HydrophobicContact CD2-CB 4.33Å; L671-P703 HydrophobicContact CD2-CG 4.07Å; L671-P703 HydrophobicContact CG-CB 4.04Å; L671-P703 HydrophobicContact CG-CG 3.94Å; L671-L759 HydrophobicContact CD1-CD2 4.49Å; L671-L759 HydrophobicContact CD2-CD2 4.33Å
672	H	79.3	Confident	72.4	Confident	4 Å²	4	48 Å²	48	2%	0.019	24%	0.237	C	C	.	.	H	α-helix	trans	-60	-51	175.7	-68.8	74.3	0	0	0	110.7	Q668 T669 A674 V675 E676 V695 D701 P703	Q668-H672 HydrophobicContact CB-CB 4.02Å; T669-H672 PolarHBondContact N-ND1 3.02Å; T669-H672 VanDerWaalsContact N-ND1 3.14Å; T669-H672 WeakPolarHBondContact O-CB 3.5Å; T669-H672 PolarHBondContact O-N 3.42Å; T669-H672 VanDerWaalsContact O-N 3.09Å; T669-H672 PolarHBondContact OG1-ND1 2.79Å; H672-A674 PolarHBondContact O-N 2.76Å; H672-V675 WeakPolarHBondContact O-CB 3.05Å; H672-V675 PolarHBondContact O-N 3.24Å; H672-E676 PolarHBondContact O-N 2.78Å; H672-V695 PolarHBondContact CE1-O 2.7Å; H672-V695 PolarHBondContact NE2-O 2.91Å; H672-D701 PolarHBondContact NE2-O 2.81Å; H672-P703 WeakPolarHBondContact NE2-CD 3.33Å
673	L	77.3	Confident	72.8	Confident	26 Å²	26	45 Å²	45	14%	0.136	22%	0.222	C	C	.	.	H	α-helix	trans	-69.1	-33.7	-174.9	-62.5	168.8	0	0	0	111.9	T638 L641 Q668 T669 V675 E676 R677	T638-L673 HydrophobicContact CG2-CD1 3.45Å; T638-L673 VanDerWaalsContact CG2-CD1 3.45Å; L641-L673 HydrophobicContact CD1-CB 4.13Å; Q668-L673 HydrophobicContact CB-CG 4.5Å; T669-L673 PolarHBondContact O-N 3.08Å; L673-V675 VanDerWaalsContact C-N 3.27Å; L673-V675 PolarHBondContact O-N 3.21Å; L673-E676 WeakPolarHBondContact CD2-OE2 3.44Å; L673-R677 WeakPolarHBondContact O-CB 3.25Å; L673-R677 WeakPolarHBondContact O-CG 3.31Å; L673-R677 PolarHBondContact O-N 2.94Å; L673-R677 VanDerWaalsContact O-N 3.11Å
674	A	75.6	Confident	73.1	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-65.8	-27.7	171.4	0	0	0	0	0	113.2	L641 A670 H672 Q678 H679 I682 V683 L686	L641-A674 HydrophobicContact CD1-CB 4.36Å; L641-A674 HydrophobicContact CD2-CB 4.42Å; A670-A674 WeakPolarHBondContact O-CB 3.47Å; A670-A674 PolarHBondContact O-N 3.45Å; A670-A674 VanDerWaalsContact O-N 3.14Å; H672-A674 PolarHBondContact O-N 2.76Å; A674-Q678 PolarHBondContact O-N 3.3Å; A674-H679 PolarHBondContact O-N 3.3Å; A674-I682 HydrophobicContact CB-CG2 4.33Å; A674-V683 HydrophobicContact CB-CG2 3.88Å; A674-L686 HydrophobicContact CB-CD1 3.96Å
675	V	80	Confident	73.6	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-83	-45.8	176.6	170.3	0	0	0	0	111.8	L671 H672 L673 R677 Q678 V683 P703 E706 A707 I755 L759	L671-V675 VanDerWaalsContact O-CG2 3.28Å; L671-V675 WeakPolarHBondContact O-CG2 3.37Å; L671-V675 PolarHBondContact O-N 2.87Å; H672-V675 WeakPolarHBondContact O-CB 3.05Å; H672-V675 PolarHBondContact O-N 3.24Å; L673-V675 VanDerWaalsContact C-N 3.27Å; L673-V675 PolarHBondContact O-N 3.21Å; V675-R677 PolarHBondContact O-N 2.8Å; V675-Q678 WeakPolarHBondContact O-CA 3.27Å; V675-Q678 PolarHBondContact O-N 3.24Å; V675-Q678 PolarHBondContact O-NE2 3.02Å; V675-V683 HydrophobicContact CG2-CG1 4.43Å; V675-V683 HydrophobicContact CG2-CG2 3.81Å; V675-P703 WeakPolarHBondContact CG1-O 3.24Å; V675-P703 HydrophobicContact CG2-CB 4.23Å; V675-E706 HydrophobicContact CG1-CB 4.48Å; V675-A707 HydrophobicContact CG1-CB 3.68Å; V675-I755 HydrophobicContact CB-CG2 4.44Å; V675-I755 HydrophobicContact CG1-CG2 3.98Å; V675-I755 HydrophobicContact CG2-CG2 3.83Å; V675-L759 HydrophobicContact CG2-CD1 4.13Å
676	E	77.1	Confident	74.3	Confident	41 Å²	41	39.6 Å²	39.6	19%	0.192	18%	0.182	C	C	.	.	H	α-helix	trans	-48.9	-47.9	171.5	-174.4	-159.7	117.4	0	0	110.3	H672 L673 Q678 H710	H672-E676 PolarHBondContact O-N 2.78Å; L673-E676 WeakPolarHBondContact CD2-OE2 3.44Å; E676-Q678 VanDerWaalsContact C-N 3.27Å; E676-Q678 PolarHBondContact O-N 3.45Å; E676-H710 PolarHBondContact O-CE1 3.27Å; E676-H710 PolarHBondContact O-NE2 3.31Å
677	R	70.5	Confident	75.1	Confident	133 Å²	133	36.7 Å²	36.7	50%	0.502	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	8.2	179	-55.7	-64.4	160.1	133.5	-4.6	114.9	L673 V675 H679	L673-R677 WeakPolarHBondContact O-CB 3.25Å; L673-R677 WeakPolarHBondContact O-CG 3.31Å; L673-R677 PolarHBondContact O-N 2.94Å; L673-R677 VanDerWaalsContact O-N 3.11Å; V675-R677 PolarHBondContact O-N 2.8Å; R677-H679 PolarHBondContact O-CE1 2.86Å; R677-H679 VanDerWaalsContact O-CE1 3.32Å; R677-H679 PolarHBondContact O-N 3.28Å; R677-H679 VanDerWaalsContact O-N 3.1Å; R677-H679 PolarHBondContact O-ND1 2.97Å
678	Q	72.8	Confident	75.2	Confident	41 Å²	41	42 Å²	42	19%	0.192	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	24.3	174.5	-59.9	-69.1	-57.9	0	0	114.6	A674 V675 E676 T680 S751	A674-Q678 PolarHBondContact O-N 3.3Å; V675-Q678 WeakPolarHBondContact O-CA 3.27Å; V675-Q678 PolarHBondContact O-N 3.24Å; V675-Q678 PolarHBondContact O-NE2 3.02Å; E676-Q678 VanDerWaalsContact C-N 3.27Å; E676-Q678 PolarHBondContact O-N 3.45Å; Q678-T680 VanDerWaalsContact C-N 3.27Å; Q678-T680 PolarHBondContact O-N 3.13Å; Q678-S751 PolarHBondContact OE1-OG 3.48Å
679	H	70.3	Confident	75.1	Confident	66 Å²	66	42.3 Å²	42.3	31%	0.306	19%	0.19	S	C	.	.			trans	-79.8	69.2	-173	-69.7	-20	0	0	0	112.3	L641 A674 R677 Q681 I682 V683	L641-H679 PolarHBondContact O-CD2 3.01Å; L641-H679 PolarHBondContact O-NE2 3.1Å; A674-H679 PolarHBondContact O-N 3.3Å; R677-H679 PolarHBondContact O-CE1 2.86Å; R677-H679 VanDerWaalsContact O-CE1 3.32Å; R677-H679 PolarHBondContact O-N 3.28Å; R677-H679 VanDerWaalsContact O-N 3.1Å; R677-H679 PolarHBondContact O-ND1 2.97Å; H679-Q681 PolarHBondContact O-N 2.92Å; H679-I682 HydrophobicContact CB-CB 4.19Å; H679-I682 HydrophobicContact CB-CD1 4.07Å; H679-I682 HydrophobicContact CB-CG1 4.31Å; H679-I682 WeakPolarHBondContact O-CA 3.45Å; H679-I682 PolarHBondContact O-N 3.43Å; H679-V683 PolarHBondContact O-N 3.33Å
680	T	72.7	Confident	75.1	Confident	47 Å²	47	50.8 Å²	50.8	29%	0.288	23%	0.229	S	C	.	.	H	α-helix	trans	-43	-41.2	-176.3	56.6	0	0	0	0	115.2	Q678 R684 I755	Q678-T680 VanDerWaalsContact C-N 3.27Å; Q678-T680 PolarHBondContact O-N 3.13Å; T680-R684 WeakPolarHBondContact O-CD 3.34Å; T680-R684 VanDerWaalsContact O-CG 3.24Å; T680-R684 WeakPolarHBondContact O-CG 3.47Å; T680-R684 PolarHBondContact O-N 3.41Å; T680-R684 VanDerWaalsContact O-N 3.16Å; T680-I755 HydrophobicContact CG2-CD1 3.86Å; T680-I755 HydrophobicContact CG2-CG1 3.9Å
681	Q	68.4	Low	75.4	Confident	119 Å²	119	51.1 Å²	51.1	56%	0.556	23%	0.232	S	C	*	.	H	α-helix	trans	-73.1	-33.6	-179.7	-60.8	-167.8	25.6	0	0	112.6	I646 H679 L685	I646-Q681 HydrophobicContact CD1-CB 3.71Å; I646-Q681 HydrophobicContact CD1-CG 4.48Å; H679-Q681 PolarHBondContact O-N 2.92Å; Q681-L685 WeakPolarHBondContact O-CG 3.37Å; Q681-L685 PolarHBondContact O-N 3.41Å
682	I	69.1	Low	75.6	Confident	6 Å²	6	56.9 Å²	56.9	3%	0.031	26%	0.257	C	S	.	.	H	α-helix	trans	-78.3	-40.9	178	-57.7	174.4	0	0	0	110.7	L641 I646 L649 A674 H679 R684 L685 L686	L641-I682 HydrophobicContact CD2-CD1 4.31Å; L641-I682 HydrophobicContact CD2-CG2 3.43Å; L641-I682 VanDerWaalsContact CD2-CG2 3.43Å; I646-I682 HydrophobicContact CG1-CG1 4.02Å; L649-I682 HydrophobicContact CD2-CG2 3.44Å; L649-I682 VanDerWaalsContact CD2-CG2 3.44Å; A674-I682 HydrophobicContact CB-CG2 4.33Å; H679-I682 HydrophobicContact CB-CB 4.19Å; H679-I682 HydrophobicContact CB-CD1 4.07Å; H679-I682 HydrophobicContact CB-CG1 4.31Å; H679-I682 WeakPolarHBondContact O-CA 3.45Å; H679-I682 PolarHBondContact O-N 3.43Å; I682-R684 PolarHBondContact O-N 2.9Å; I682-L685 WeakPolarHBondContact O-CA 3.34Å; I682-L685 PolarHBondContact O-N 3.15Å; I682-L686 HydrophobicContact CG2-CD1 4.11Å; I682-L686 HydrophobicContact CG2-CG 4.22Å; I682-L686 PolarHBondContact O-N 3.42Å
683	V	75.4	Confident	76	Confident	1 Å²	1	57.7 Å²	57.7	1%	0.006	26%	0.261	C	S	.	.	H	α-helix	trans	-53	-45.2	170.3	174.7	0	0	0	0	110.4	L671 A674 V675 H679 L685 L686 V687 I755 F758 L759	L671-V683 HydrophobicContact CD1-CG1 4.14Å; A674-V683 HydrophobicContact CB-CG2 3.88Å; V675-V683 HydrophobicContact CG2-CG1 4.43Å; V675-V683 HydrophobicContact CG2-CG2 3.81Å; H679-V683 PolarHBondContact O-N 3.33Å; V683-L685 VanDerWaalsContact C-N 3.3Å; V683-L685 PolarHBondContact O-N 2.84Å; V683-L686 PolarHBondContact O-N 3.44Å; V683-V687 HydrophobicContact CG1-CG2 4.39Å; V683-V687 WeakPolarHBondContact O-CB 3.23Å; V683-V687 VanDerWaalsContact O-CG2 3.23Å; V683-V687 WeakPolarHBondContact O-CG2 3.44Å; V683-V687 PolarHBondContact O-N 2.75Å; V683-I755 HydrophobicContact CG1-CG2 4.42Å; V683-F758 HydrophobicContact CG1-CD1 4.21Å; V683-F758 HydrophobicContact CG1-CE1 4.41Å; V683-L759 HydrophobicContact CG1-CD2 4.34Å
684	R	76.1	Confident	76.5	Confident	116 Å²	116	59.1 Å²	59.1	44%	0.438	27%	0.269	S	S	.	.	H	α-helix	trans	-62.5	-30.6	175	-74	169.4	-177.4	-178.1	3.2	114.2	T680 I682 R688 F758	T680-R684 WeakPolarHBondContact O-CD 3.34Å; T680-R684 VanDerWaalsContact O-CG 3.24Å; T680-R684 WeakPolarHBondContact O-CG 3.47Å; T680-R684 PolarHBondContact O-N 3.41Å; T680-R684 VanDerWaalsContact O-N 3.16Å; I682-R684 PolarHBondContact O-N 2.9Å; R684-R688 VanDerWaalsContact O-CB 3.32Å; R684-R688 WeakPolarHBondContact O-CB 3.15Å; R684-R688 VanDerWaalsContact O-CD 3.31Å; R684-R688 WeakPolarHBondContact O-CD 3.38Å; R684-R688 WeakPolarHBondContact O-CG 3.23Å; R684-R688 PolarHBondContact O-N 3.21Å; R684-F758 HydrophobicContact CB-CE1 4.4Å; R684-F758 HydrophobicContact CB-CZ 4.23Å; R684-F758 HydrophobicContact CG-CD1 4.39Å; R684-F758 HydrophobicContact CG-CE1 3.85Å; R684-F758 HydrophobicContact CG-CE2 4.06Å; R684-F758 HydrophobicContact CG-CZ 3.68Å
685	L	73.1	Confident	77.1	Confident	32 Å²	32	60.4 Å²	60.4	17%	0.168	28%	0.277	C	S	.	.	H	α-helix	trans	-78.9	-43.1	178.4	-72.9	163.2	0	0	0	111.8	I646 R650 Q681 I682 V683 R688 A689	I646-L685 HydrophobicContact CB-CD1 4.41Å; I646-L685 HydrophobicContact CG1-CD1 4.22Å; I646-L685 HydrophobicContact CG2-CD1 3.64Å; R650-L685 HydrophobicContact CG-CD1 4.49Å; R650-L685 HydrophobicContact CG-CD2 4.32Å; Q681-L685 WeakPolarHBondContact O-CG 3.37Å; Q681-L685 PolarHBondContact O-N 3.41Å; I682-L685 WeakPolarHBondContact O-CA 3.34Å; I682-L685 PolarHBondContact O-N 3.15Å; V683-L685 VanDerWaalsContact C-N 3.3Å; V683-L685 PolarHBondContact O-N 2.84Å; L685-R688 PolarHBondContact O-N 2.86Å; L685-A689 WeakPolarHBondContact O-CB 3.31Å; L685-A689 PolarHBondContact O-N 3.14Å
686	L	75.4	Confident	77.5	Confident	1 Å²	1	64.2 Å²	64.2	1%	0.005	30%	0.295	C	S	.	.	H	α-helix	trans	-62.8	-44	176.5	-66.9	173.2	0	0	0	111.7	L649 L660 A670 L671 A674 I682 V683 R688 A689 E690 A691	L649-L686 HydrophobicContact CD2-CD2 4.44Å; L660-L686 HydrophobicContact CD1-CD2 4.29Å; L660-L686 HydrophobicContact CD2-CD2 4.06Å; A670-L686 HydrophobicContact CB-CD1 4.36Å; L671-L686 HydrophobicContact CB-CD1 4.48Å; L671-L686 HydrophobicContact CD1-CB 4.21Å; L671-L686 HydrophobicContact CD1-CD1 4.29Å; A674-L686 HydrophobicContact CB-CD1 3.96Å; I682-L686 HydrophobicContact CG2-CD1 4.11Å; I682-L686 HydrophobicContact CG2-CG 4.22Å; I682-L686 PolarHBondContact O-N 3.42Å; V683-L686 PolarHBondContact O-N 3.44Å; L686-R688 VanDerWaalsContact C-N 3.33Å; L686-R688 PolarHBondContact O-N 2.98Å; L686-A689 CarbonylContact O-C 3.59Å; L686-A689 PolarHBondContact O-N 3.47Å; L686-A689 VanDerWaalsContact O-N 3.12Å; L686-E690 PolarHBondContact O-N 3.41Å; L686-A691 HydrophobicContact CB-CB 4.28Å; L686-A691 VanDerWaalsContact O-CB 3.32Å; L686-A691 WeakPolarHBondContact O-CB 3.14Å; L686-A691 PolarHBondContact O-N 2.82Å
687	V	79.9	Confident	77.8	Confident	16 Å²	16	62.9 Å²	62.9	10%	0.097	29%	0.289	C	S	.	.	H	α-helix	trans	-66.5	-33.7	176.8	174.9	0	0	0	0	112	L671 V683 A689 E690 L693 F758 L759 N762	L671-V687 HydrophobicContact CD1-CG2 4.17Å; V683-V687 HydrophobicContact CG1-CG2 4.39Å; V683-V687 WeakPolarHBondContact O-CB 3.23Å; V683-V687 VanDerWaalsContact O-CG2 3.23Å; V683-V687 WeakPolarHBondContact O-CG2 3.44Å; V683-V687 PolarHBondContact O-N 2.75Å; V687-A689 VanDerWaalsContact C-N 3.27Å; V687-A689 PolarHBondContact O-N 3.22Å; V687-E690 PolarHBondContact O-N 2.97Å; V687-L693 HydrophobicContact CB-CD2 4.46Å; V687-L693 HydrophobicContact CG1-CD2 4.23Å; V687-L693 HydrophobicContact CG2-CD2 3.7Å; V687-F758 HydrophobicContact CB-CE1 3.9Å; V687-F758 HydrophobicContact CB-CZ 4.38Å; V687-F758 HydrophobicContact CG1-CE1 3.97Å; V687-F758 HydrophobicContact CG1-CZ 4.21Å; V687-F758 HydrophobicContact CG2-CE1 3.99Å; V687-L759 HydrophobicContact CG2-CD2 4.09Å; V687-N762 HydrophobicContact CG1-CB 3.76Å
688	R	79.1	Confident	78.4	Confident	204 Å²	204	61.6 Å²	61.6	77%	0.77	29%	0.287	S	S	*	.	H	α-helix	trans	-73.4	-16.9	172.8	-78.9	173.9	174.6	-164.5	-5.8	114	R684 L685 L686 E690	R684-R688 VanDerWaalsContact O-CB 3.32Å; R684-R688 WeakPolarHBondContact O-CB 3.15Å; R684-R688 VanDerWaalsContact O-CD 3.31Å; R684-R688 WeakPolarHBondContact O-CD 3.38Å; R684-R688 WeakPolarHBondContact O-CG 3.23Å; R684-R688 PolarHBondContact O-N 3.21Å; L685-R688 PolarHBondContact O-N 2.86Å; L686-R688 VanDerWaalsContact C-N 3.33Å; L686-R688 PolarHBondContact O-N 2.98Å; R688-E690 VanDerWaalsContact C-N 3.34Å
689	A	71.9	Confident	78.8	Confident	32 Å²	32	62.6 Å²	62.6	26%	0.264	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	24.2	173.9	0	0	0	0	0	111.8	I653 L660 L685 L686 V687 A691	I653-A689 HydrophobicContact CD1-CB 4.2Å; I653-A689 HydrophobicContact CG2-CB 4Å; L660-A689 HydrophobicContact CD1-CB 3.6Å; L660-A689 WeakPolarHBondContact CD1-O 3.5Å; L685-A689 WeakPolarHBondContact O-CB 3.31Å; L685-A689 PolarHBondContact O-N 3.14Å; L686-A689 CarbonylContact O-C 3.59Å; L686-A689 PolarHBondContact O-N 3.47Å; L686-A689 VanDerWaalsContact O-N 3.12Å; V687-A689 VanDerWaalsContact C-N 3.27Å; V687-A689 PolarHBondContact O-N 3.22Å; A689-A691 VanDerWaalsContact C-N 3.26Å; A689-A691 PolarHBondContact O-N 2.9Å
690	E	79.1	Confident	79.4	Confident	179 Å²	179	59.5 Å²	59.5	84%	0.836	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.8	24.9	172.4	-52.7	-168.3	155.5	0	0	115.7	L686 V687 R688	L686-E690 PolarHBondContact O-N 3.41Å; V687-E690 PolarHBondContact O-N 2.97Å; R688-E690 VanDerWaalsContact C-N 3.34Å
691	A	80.4	Confident	80.1	Confident	7 Å²	7	57.5 Å²	57.5	6%	0.058	27%	0.267	C	S	.	.			trans	-59	137.1	171.7	0	0	0	0	0	111.8	L660 L686 A689 L693	L660-A691 HydrophobicContact CB-CB 3.88Å; L660-A691 HydrophobicContact CD1-CB 3.91Å; L686-A691 HydrophobicContact CB-CB 4.28Å; L686-A691 VanDerWaalsContact O-CB 3.32Å; L686-A691 WeakPolarHBondContact O-CB 3.14Å; L686-A691 PolarHBondContact O-N 2.82Å; A689-A691 VanDerWaalsContact C-N 3.26Å; A689-A691 PolarHBondContact O-N 2.9Å; A691-L693 WeakPolarHBondContact O-CD2 3.32Å; A691-L693 PolarHBondContact O-N 2.87Å
692	K	84.3	Confident	81.1	Confident	124 Å²	124	51.8 Å²	51.8	54%	0.539	24%	0.24	S	C	.	.			trans	-65.1	124.9	-178.4	-69.9	-177.9	-176.3	85.4	0	111.5	D661 V695	D661-K692 HydrophobicContact CB-CD 4.49Å; D661-K692 WeakPolarHBondContact OD1-CB 3.47Å; D661-K692 PolarHBondContact OD1-N 3.42Å; D661-K692 WeakPolarHBondContact OD2-CG 3.32Å; D661-K692 IonicContact OD2-NZ 3.58Å; D661-K692 PolarHBondContact OD2-NZ 3.31Å; K692-V695 HydrophobicContact CB-CG2 3.59Å; K692-V695 HydrophobicContact CD-CG2 4.22Å
693	L	86.8	Confident	82	Confident	20 Å²	20	51.5 Å²	51.5	11%	0.105	24%	0.239	C	C	.	.	S	Bend	trans	-79.9	-19.7	-174.8	-50.3	-176.7	0	0	0	113.7	L671 V687 A691 P703 L759 N762 A764	L671-L693 HydrophobicContact CD2-CD2 3.79Å; V687-L693 HydrophobicContact CB-CD2 4.46Å; V687-L693 HydrophobicContact CG1-CD2 4.23Å; V687-L693 HydrophobicContact CG2-CD2 3.7Å; A691-L693 WeakPolarHBondContact O-CD2 3.32Å; A691-L693 PolarHBondContact O-N 2.87Å; L693-P703 WeakPolarHBondContact O-CD 3.48Å; L693-L759 HydrophobicContact CD2-CD2 4.2Å; L693-N762 HydrophobicContact CD1-CB 4.09Å; L693-A764 HydrophobicContact CB-CB 3.91Å; L693-A764 HydrophobicContact CD1-CB 4.11Å
694	D	88.3	Confident	82.6	Confident	57 Å²	57	51.5 Å²	51.5	31%	0.305	24%	0.239	S	C	.	.			trans	-120	12.4	-161.5	-55.9	-65.6	0	0	0	113.6	A764 D765 I768	D694-A764 WeakPolarHBondContact OD1-CA 3.37Å; D694-D765 PolarHBondContact OD1-N 3.19Å; D694-I768 HydrophobicContact CB-CD1 3.73Å
695	V	88.1	Confident	83.1	Confident	26 Å²	26	46 Å²	46	16%	0.158	22%	0.218	C	C	.	.			trans	-62.7	137.1	170.8	-175.4	0	0	0	0	108.8	Q663 T669 H672 K692	Q663-V695 HydrophobicContact CG-CG1 4.18Å; T669-V695 HydrophobicContact CG2-CB 3.9Å; T669-V695 HydrophobicContact CG2-CG1 3.66Å; T669-V695 HydrophobicContact CG2-CG2 4.18Å; H672-V695 PolarHBondContact CE1-O 2.7Å; H672-V695 PolarHBondContact NE2-O 2.91Å; K692-V695 HydrophobicContact CB-CG2 3.59Å; K692-V695 HydrophobicContact CD-CG2 4.22Å
696	Q	88.3	Confident	83.7	Confident	80 Å²	80	45.9 Å²	45.9	37%	0.374	22%	0.217	S	C	.	.			trans	-97.9	145.9	177.7	-65.9	-174.2	-73.6	0	0	111.7	Q663 G700 D701 T702 I768 R769	Q663-Q696 PolarHBondContact NE2-O 3.07Å; Q663-Q696 VanDerWaalsContact NE2-O 3.07Å; Q696-G700 PolarHBondContact NE2-O 2.94Å; Q696-D701 WeakPolarHBondContact CA-O 3.41Å; Q696-T702 HydrophobicContact CG-CG2 3.86Å; Q696-I768 HydrophobicContact CG-CG2 4.24Å; Q696-R769 PolarHBondContact NE2-O 2.91Å; Q696-R769 VanDerWaalsContact NE2-O 3.08Å
697	D	84.3	Confident	84.1	Confident	14 Å²	14	45.9 Å²	45.9	8%	0.075	22%	0.216	C	C	.	.			trans	-90	-170.4	174.6	85.1	-11.3	0	0	0	114.1	Q668 D699 G700 D701	Q668-D697 HydrophobicContact CG-CB 3.94Å; D697-D699 PolarHBondContact O-N 3.06Å; D697-D699 WeakPolarHBondContact OD1-CA 3.37Å; D697-D699 PolarHBondContact OD1-N 3.33Å; D697-G700 PolarHBondContact O-N 2.81Å; D697-G700 PolarHBondContact OD1-N 2.69Å; D697-D701 PolarHBondContact N-O 3.33Å; D697-D701 PolarHBondContact OD1-N 2.67Å
698	K	82.8	Confident	84.3	Confident	105 Å²	105	45.1 Å²	45.1	46%	0.457	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-37.8	178	166.2	-162.2	152.4	-138.4	0	112.8	N666 K771	N666-K698 HydrophobicContact CB-CB 4.47Å; N666-K698 WeakPolarHBondContact O-CB 3.46Å; N666-K698 PolarHBondContact O-N 2.81Å; K698-K771 WeakPolarHBondContact O-CD 3.48Å; K698-K771 VanDerWaalsContact O-CE 3.32Å; K698-K771 WeakPolarHBondContact O-CE 3.4Å; K698-K771 PolarHBondContact O-NZ 2.76Å
699	D	81.4	Confident	84.4	Confident	63 Å²	63	37.9 Å²	37.9	34%	0.337	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	2.3	-177.2	-66.1	-44.6	0	0	0	111.6	D697 D701 K771	D697-D699 PolarHBondContact O-N 3.06Å; D697-D699 WeakPolarHBondContact OD1-CA 3.37Å; D697-D699 PolarHBondContact OD1-N 3.33Å; D699-D701 VanDerWaalsContact C-N 3.35Å; D699-K771 VanDerWaalsContact O-CB 3.29Å; D699-K771 WeakPolarHBondContact O-CB 3.45Å; D699-K771 WeakPolarHBondContact O-CG 3.31Å; D699-K771 PolarHBondContact O-N 3.38Å
700	G	82.8	Confident	84.4	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.187	C	C	.	.	S	Bend	trans	86.1	5.1	177.9	0	0	0	0	0	113.6	Q696 D697 N770	Q696-G700 PolarHBondContact NE2-O 2.94Å; D697-G700 PolarHBondContact O-N 2.81Å; D697-G700 PolarHBondContact OD1-N 2.69Å; G700-N770 VanDerWaalsContact C-CB 3.49Å; G700-N770 VanDerWaalsContact O-CA 3.28Å; G700-N770 WeakPolarHBondContact O-CA 3.49Å; G700-N770 WeakPolarHBondContact O-CB 3.49Å
701	D	87.2	Confident	84.2	Confident	5 Å²	5	32 Å²	32	3%	0.027	15%	0.152	C	C	.	.			trans	-75.7	141.8	178.6	-74.5	-43.2	0	0	0	109.5	H672 Q696 D697 D699 H705 R709 N770	H672-D701 PolarHBondContact NE2-O 2.81Å; Q696-D701 WeakPolarHBondContact CA-O 3.41Å; D697-D701 PolarHBondContact N-O 3.33Å; D697-D701 PolarHBondContact OD1-N 2.67Å; D699-D701 VanDerWaalsContact C-N 3.35Å; D701-H705 HydrophobicContact CB-CB 3.73Å; D701-H705 WeakPolarHBondContact OD1-CB 3.16Å; D701-H705 IonicContact OD1-CD2 3.93Å; D701-H705 PolarHBondContact OD1-CD2 3.36Å; D701-H705 VanDerWaalsContact OD1-CD2 3.29Å; D701-H705 IonicContact OD1-CG 3.62Å; D701-R709 IonicContact OD1-NH2 2.74Å; D701-R709 PolarHBondContact OD1-NH2 3.45Å; D701-R709 IonicContact OD2-CZ 2.69Å; D701-R709 IonicContact OD2-NE 3.9Å; D701-R709 PolarHBondContact OD2-NE 3.48Å; D701-R709 IonicContact OD2-NH2 2.67Å; D701-R709 PolarHBondContact OD2-NH2 3.46Å; D701-N770 WeakPolarHBondContact OD1-CB 3.39Å; D701-N770 PolarHBondContact OD1-ND2 3.21Å
702	T	90.2	Very high	83.6	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.158	C	C	.	.			trans	-96	168.1	169.3	68.9	0	0	0	0	109.6	Q696 L704 H705 E706 I768	Q696-T702 HydrophobicContact CG-CG2 3.86Å; T702-L704 PolarHBondContact O-N 2.85Å; T702-L704 PolarHBondContact OG1-N 3.12Å; T702-H705 PolarHBondContact N-ND1 3.37Å; T702-H705 VanDerWaalsContact N-ND1 3.16Å; T702-H705 WeakPolarHBondContact O-CA 3.27Å; T702-H705 WeakPolarHBondContact O-CB 3.48Å; T702-H705 PolarHBondContact O-N 2.91Å; T702-H705 PolarHBondContact OG1-ND1 3.05Å; T702-E706 PolarHBondContact O-N 3.12Å; T702-I768 HydrophobicContact CG2-CD1 4.35Å; T702-I768 HydrophobicContact CG2-CG2 3.98Å
703	P	88.1	Confident	82.8	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-52.8	-28.6	172.9	-26.7	35.1	0	0	0	113.9	L671 H672 V675 L693 A707 L759	L671-P703 HydrophobicContact CB-CG 4.28Å; L671-P703 HydrophobicContact CD2-CB 4.33Å; L671-P703 HydrophobicContact CD2-CG 4.07Å; L671-P703 HydrophobicContact CG-CB 4.04Å; L671-P703 HydrophobicContact CG-CG 3.94Å; H672-P703 WeakPolarHBondContact NE2-CD 3.33Å; V675-P703 WeakPolarHBondContact CG1-O 3.24Å; V675-P703 HydrophobicContact CG2-CB 4.23Å; L693-P703 WeakPolarHBondContact O-CD 3.48Å; P703-A707 PolarHBondContact O-N 3.03Å; P703-L759 HydrophobicContact CB-CD1 4.28Å
704	L	87.8	Confident	81.9	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-76.1	-33.4	175.2	-174.1	56.7	0	0	0	113.1	T702 E706 L708 A756 L759 A764 L766 P776	T702-L704 PolarHBondContact O-N 2.85Å; T702-L704 PolarHBondContact OG1-N 3.12Å; L704-E706 VanDerWaalsContact C-N 3.33Å; L704-L708 HydrophobicContact CD1-CD1 4.33Å; L704-L708 HydrophobicContact CG-CD1 4.48Å; L704-L708 WeakPolarHBondContact O-CG 3.37Å; L704-L708 PolarHBondContact O-N 3.43Å; L704-A756 HydrophobicContact CD1-CB 3.85Å; L704-L759 HydrophobicContact CB-CD1 4.5Å; L704-L759 HydrophobicContact CD1-CB 4.2Å; L704-L759 HydrophobicContact CD1-CD1 4.47Å; L704-A764 HydrophobicContact CB-CB 4.48Å; L704-A764 HydrophobicContact CD2-CB 3.95Å; L704-L766 HydrophobicContact CD2-CD2 3.7Å; L704-L766 HydrophobicContact CD2-CG 4.44Å; L704-P776 HydrophobicContact CD2-CB 4.27Å; L704-P776 HydrophobicContact CD2-CG 4.34Å; L704-P776 HydrophobicContact CG-CB 4.01Å; L704-P776 HydrophobicContact CG-CG 4.3Å
705	H	86.7	Confident	80.7	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-61.3	-45.3	168.7	-69.5	77.5	0	0	0	110.1	D701 T702 L708 R709 I768 Q774 L779	D701-H705 HydrophobicContact CB-CB 3.73Å; D701-H705 WeakPolarHBondContact OD1-CB 3.16Å; D701-H705 IonicContact OD1-CD2 3.93Å; D701-H705 PolarHBondContact OD1-CD2 3.36Å; D701-H705 VanDerWaalsContact OD1-CD2 3.29Å; D701-H705 IonicContact OD1-CG 3.62Å; T702-H705 PolarHBondContact N-ND1 3.37Å; T702-H705 VanDerWaalsContact N-ND1 3.16Å; T702-H705 WeakPolarHBondContact O-CA 3.27Å; T702-H705 WeakPolarHBondContact O-CB 3.48Å; T702-H705 PolarHBondContact O-N 2.91Å; T702-H705 PolarHBondContact OG1-ND1 3.05Å; H705-L708 PolarHBondContact O-N 3.29Å; H705-R709 WeakPolarHBondContact O-CB 3.03Å; H705-R709 PolarHBondContact O-N 3.35Å; H705-I768 PolarHBondContact CE1-O 3.13Å; H705-I768 PolarHBondContact NE2-O 2.98Å; H705-Q774 PolarHBondContact NE2-O 2.92Å; H705-L779 HydrophobicContact CB-CD1 3.99Å
706	E	84.9	Confident	79.4	Confident	31 Å²	31	35.9 Å²	35.9	15%	0.145	18%	0.178	C	C	.	.	H	α-helix	trans	-69.5	-37.7	-175.7	-161.1	50.1	-127.5	0	0	112.8	V675 T702 L704 L708 R709 H710	V675-E706 HydrophobicContact CG1-CB 4.48Å; T702-E706 PolarHBondContact O-N 3.12Å; L704-E706 VanDerWaalsContact C-N 3.33Å; E706-L708 PolarHBondContact O-N 3.28Å; E706-R709 PolarHBondContact O-N 3.26Å; E706-R709 WeakPolarHBondContact OE1-CD 3.23Å; E706-R709 WeakPolarHBondContact OE2-CD 3.38Å; E706-R709 IonicContact OE2-NE 2.74Å; E706-R709 PolarHBondContact OE2-NE 3.02Å; E706-H710 PolarHBondContact O-N 3.09Å; E706-H710 IonicContact OE1-CD2 3.43Å; E706-H710 PolarHBondContact OE1-CD2 3.48Å; E706-H710 IonicContact OE1-NE2 2.67Å
707	A	84.8	Confident	77.9	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-56.1	-39.2	172.1	0	0	0	0	0	112.5	V675 P703 H711 I755 A756	V675-A707 HydrophobicContact CG1-CB 3.68Å; P703-A707 PolarHBondContact O-N 3.03Å; A707-H711 PolarHBondContact O-N 3.2Å; A707-I755 HydrophobicContact CB-CG2 4.05Å; A707-A756 HydrophobicContact CB-CB 4Å
708	L	82.8	Confident	76.5	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-84.6	-34.4	-178.7	-65.6	171.3	0	0	0	112.1	L704 H705 E706 H710 H711 T712 A756 P776 L779 C780 L785 L789	L704-L708 HydrophobicContact CD1-CD1 4.33Å; L704-L708 HydrophobicContact CG-CD1 4.48Å; L704-L708 WeakPolarHBondContact O-CG 3.37Å; L704-L708 PolarHBondContact O-N 3.43Å; H705-L708 PolarHBondContact O-N 3.29Å; E706-L708 PolarHBondContact O-N 3.28Å; L708-H710 PolarHBondContact O-N 3.05Å; L708-H711 WeakPolarHBondContact O-CB 3.35Å; L708-H711 PolarHBondContact O-N 3.47Å; L708-T712 WeakPolarHBondContact O-CB 3.45Å; L708-T712 PolarHBondContact O-N 3.4Å; L708-T712 PolarHBondContact O-OG1 3.03Å; L708-T712 VanDerWaalsContact O-OG1 3.05Å; L708-A756 HydrophobicContact CD2-CB 3.67Å; L708-A756 HydrophobicContact CG-CB 4.03Å; L708-P776 HydrophobicContact CD1-CB 3.88Å; L708-P776 VanDerWaalsContact CD1-O 3.23Å; L708-P776 WeakPolarHBondContact CD1-O 3.49Å; L708-L779 HydrophobicContact CB-CB 4.37Å; L708-C780 HydrophobicContact CD1-CB 4.42Å; L708-C780 HydrophobicContact CD2-CB 4.41Å; L708-L785 HydrophobicContact CD2-CD2 4.09Å; L708-L789 HydrophobicContact CD1-CD1 4.07Å; L708-L789 HydrophobicContact CD2-CD1 4.13Å
709	R	80.8	Confident	75.1	Confident	52 Å²	52	42.7 Å²	42.7	20%	0.196	21%	0.206	C	C	.	.	H	α-helix	trans	-54.7	-51.1	169.8	-178.8	173.3	-52.5	-54.3	0.4	111.2	D701 H705 E706 H711 T712 L713	D701-R709 IonicContact OD1-NH2 2.74Å; D701-R709 PolarHBondContact OD1-NH2 3.45Å; D701-R709 IonicContact OD2-CZ 2.69Å; D701-R709 IonicContact OD2-NE 3.9Å; D701-R709 PolarHBondContact OD2-NE 3.48Å; D701-R709 IonicContact OD2-NH2 2.67Å; D701-R709 PolarHBondContact OD2-NH2 3.46Å; H705-R709 WeakPolarHBondContact O-CB 3.03Å; H705-R709 PolarHBondContact O-N 3.35Å; E706-R709 PolarHBondContact O-N 3.26Å; E706-R709 WeakPolarHBondContact OE1-CD 3.23Å; E706-R709 WeakPolarHBondContact OE2-CD 3.38Å; E706-R709 IonicContact OE2-NE 2.74Å; E706-R709 PolarHBondContact OE2-NE 3.02Å; R709-H711 PolarHBondContact O-N 2.96Å; R709-T712 PolarHBondContact O-N 2.87Å; R709-L713 HydrophobicContact CG-CD1 4.03Å; R709-L713 WeakPolarHBondContact O-CB 3.28Å; R709-L713 WeakPolarHBondContact O-CG 3.36Å; R709-L713 PolarHBondContact O-N 2.74Å
710	H	73.8	Confident	73.8	Confident	67 Å²	67	45.7 Å²	45.7	31%	0.31	22%	0.218	S	C	.	.	H	α-helix	trans	-60.7	-41.4	174.8	-93.5	-89.6	0	0	0	112.9	E676 E706 L708 S714	E676-H710 PolarHBondContact O-CE1 3.27Å; E676-H710 PolarHBondContact O-NE2 3.31Å; E706-H710 PolarHBondContact O-N 3.09Å; E706-H710 IonicContact OE1-CD2 3.43Å; E706-H710 PolarHBondContact OE1-CD2 3.48Å; E706-H710 IonicContact OE1-NE2 2.67Å; L708-H710 PolarHBondContact O-N 3.05Å; H710-S714 WeakPolarHBondContact O-CB 3.26Å; H710-S714 PolarHBondContact O-N 3.3Å
711	H	74.7	Confident	72	Confident	22 Å²	22	50.8 Å²	50.8	10%	0.102	25%	0.245	C	C	.	.	H	α-helix	trans	-62	-46.4	178.4	-173.1	57.7	0	0	0	111.9	A707 L708 R709 S714 Q715 A752	A707-H711 PolarHBondContact O-N 3.2Å; L708-H711 WeakPolarHBondContact O-CB 3.35Å; L708-H711 PolarHBondContact O-N 3.47Å; R709-H711 PolarHBondContact O-N 2.96Å; H711-S714 WeakPolarHBondContact O-CB 3.38Å; H711-S714 PolarHBondContact O-N 3.16Å; H711-Q715 PolarHBondContact NE2-NE2 3.35Å; H711-Q715 PolarHBondContact O-N 3Å; H711-Q715 VanDerWaalsContact O-N 3.07Å; H711-A752 HydrophobicContact CB-CB 3.93Å
712	T	67.9	Low	69.9	Low	30 Å²	30	56.9 Å²	56.9	18%	0.184	28%	0.275	C	S	.	.	H	α-helix	trans	-69.3	-40.2	-178	-59.8	0	0	0	0	112.3	L708 R709 S714 Q715 L716 L779 P781	L708-T712 WeakPolarHBondContact O-CB 3.45Å; L708-T712 PolarHBondContact O-N 3.4Å; L708-T712 PolarHBondContact O-OG1 3.03Å; L708-T712 VanDerWaalsContact O-OG1 3.05Å; R709-T712 PolarHBondContact O-N 2.87Å; T712-S714 VanDerWaalsContact C-N 3.32Å; T712-S714 PolarHBondContact O-N 3.44Å; T712-Q715 PolarHBondContact O-N 3.15Å; T712-L716 HydrophobicContact CG2-CD1 4.25Å; T712-L716 WeakPolarHBondContact O-CG 3.41Å; T712-L716 PolarHBondContact O-N 3.09Å; T712-L779 PolarHBondContact OG1-O 3.44Å; T712-P781 HydrophobicContact CG2-CG 4.08Å; T712-P781 WeakPolarHBondContact OG1-CD 3.38Å
713	L	67.3	Low	67.7	Low	97 Å²	97	63.1 Å²	63.1	51%	0.508	30%	0.304	S	S	.	.	H	α-helix	trans	-64.8	-34.5	173.1	-69.9	171.2	0	0	0	112.4	R709 R717	R709-L713 HydrophobicContact CG-CD1 4.03Å; R709-L713 WeakPolarHBondContact O-CB 3.28Å; R709-L713 WeakPolarHBondContact O-CG 3.36Å; R709-L713 PolarHBondContact O-N 2.74Å; L713-R717 PolarHBondContact O-N 3.48Å
714	S	66.3	Low	65.2	Low	37 Å²	37	68.9 Å²	68.9	26%	0.259	34%	0.335	S	S	.	.	H	α-helix	trans	-66.2	-39.9	174	-176	0	0	0	0	112.3	H710 H711 T712	H710-S714 WeakPolarHBondContact O-CB 3.26Å; H710-S714 PolarHBondContact O-N 3.3Å; H711-S714 WeakPolarHBondContact O-CB 3.38Å; H711-S714 PolarHBondContact O-N 3.16Å; T712-S714 VanDerWaalsContact C-N 3.32Å; T712-S714 PolarHBondContact O-N 3.44Å
715	Q	63.7	Low	62.9	Low	60 Å²	60	74.4 Å²	74.4	28%	0.28	37%	0.368	S	S	.	.	H	α-helix	trans	-65.7	-43.8	174.2	-67.7	-169.8	15.7	0	0	112.4	H711 T712 R717 Q718 L719	H711-Q715 PolarHBondContact NE2-NE2 3.35Å; H711-Q715 PolarHBondContact O-N 3Å; H711-Q715 VanDerWaalsContact O-N 3.07Å; T712-Q715 PolarHBondContact O-N 3.15Å; Q715-R717 PolarHBondContact O-N 2.87Å; Q715-Q718 PolarHBondContact O-N 2.89Å; Q715-L719 PolarHBondContact O-N 3.18Å
716	L	60.4	Low	60.3	Low	91 Å²	91	78.8 Å²	78.8	48%	0.476	40%	0.399	S	S	.	.	H	α-helix	trans	-64.4	-39.3	-176.4	-73.7	168.7	0	0	0	113	T712 Q718 L719 Q720	T712-L716 HydrophobicContact CG2-CD1 4.25Å; T712-L716 WeakPolarHBondContact O-CG 3.41Å; T712-L716 PolarHBondContact O-N 3.09Å; L716-Q718 PolarHBondContact O-N 3.31Å; L716-L719 PolarHBondContact O-N 3.38Å; L716-Q720 PolarHBondContact O-N 2.97Å
717	R	57.8	Low	57.7	Low	184 Å²	184	85.6 Å²	85.6	69%	0.694	43%	0.428	S	S	*	.	H	α-helix	trans	-59.2	-47	175	-72	-178.9	179.4	-168.3	-1	111.9	L713 Q715 L719 Q720 D721	L713-R717 PolarHBondContact O-N 3.48Å; Q715-R717 PolarHBondContact O-N 2.87Å; R717-L719 PolarHBondContact O-N 3.5Å; R717-L719 VanDerWaalsContact O-N 3.15Å; R717-Q720 PolarHBondContact O-N 3.27Å; R717-D721 VanDerWaalsContact O-CG 3.25Å; R717-D721 PolarHBondContact O-N 2.99Å
718	Q	54.1	Low	55.2	Low	51 Å²	51	92.3 Å²	92.3	24%	0.238	47%	0.469	C	S	.	.	H	α-helix	trans	-63.6	-20.9	178.4	-71.9	171.4	25.2	0	0	113.8	Q715 L716 M722	Q715-Q718 PolarHBondContact O-N 2.89Å; L716-Q718 PolarHBondContact O-N 3.31Å; Q718-M722 WeakPolarHBondContact O-CG 3.47Å
719	L	54.9	Low	52.6	Low	107 Å²	107	100.9 Å²	100.9	56%	0.56	51%	0.509	S	S	*	.	H	α-helix	trans	-81.2	-30.1	172.9	-71.3	169.7	0	0	0	112.6	Q715 L716 R717 Q723	Q715-L719 PolarHBondContact O-N 3.18Å; L716-L719 PolarHBondContact O-N 3.38Å; R717-L719 PolarHBondContact O-N 3.5Å; R717-L719 VanDerWaalsContact O-N 3.15Å; L719-Q723 WeakPolarHBondContact O-CG 3.34Å; L719-Q723 PolarHBondContact O-N 3.34Å
720	Q	52.9	Low	50.4	Low	126 Å²	126	103.6 Å²	103.6	59%	0.589	53%	0.533	S	S	*	.	H	α-helix	trans	-72.6	-45.6	171.4	-64.4	-176.4	-98.8	0	0	110.8	L716 R717 M722 Q723 D724	L716-Q720 PolarHBondContact O-N 2.97Å; R717-Q720 PolarHBondContact O-N 3.27Å; Q720-M722 PolarHBondContact O-N 3.18Å; Q720-Q723 PolarHBondContact O-N 3.14Å; Q720-D724 PolarHBondContact O-N 3.41Å
721	D	44.9	Very low	48.1	Very low	107 Å²	107	111.6 Å²	111.6	57%	0.572	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54	-25.1	175.5	-60.3	-28.2	0	0	0	113.1	R717	R717-D721 VanDerWaalsContact O-CG 3.25Å; R717-D721 PolarHBondContact O-N 2.99Å
722	M	43.8	Very low	45.8	Very low	132 Å²	132	117.2 Å²	117.2	65%	0.65	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.2	-19.3	177.5	-71.3	-95.2	64.4	0	0	114.4	Q718 Q720	Q718-M722 WeakPolarHBondContact O-CG 3.47Å; Q720-M722 PolarHBondContact O-N 3.18Å
723	Q	42.8	Very low	44.3	Very low	131 Å²	131	121.6 Å²	121.6	61%	0.612	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.2	-33.4	-175.9	-79.3	-175.4	-5.5	0	0	113.4	L719 Q720 V725 S726	L719-Q723 WeakPolarHBondContact O-CG 3.34Å; L719-Q723 PolarHBondContact O-N 3.34Å; Q720-Q723 PolarHBondContact O-N 3.14Å; Q723-V725 PolarHBondContact O-N 3.05Å; Q723-S726 WeakPolarHBondContact O-CB 3.41Å; Q723-S726 PolarHBondContact O-N 2.67Å; Q723-S726 PolarHBondContact O-OG 3.15Å
724	D	36.5	Very low	42.7	Very low	122 Å²	122	122.4 Å²	122.4	65%	0.652	63%	0.63	S	S	*	*	G	3₁₀ helix	trans	-71.4	-12	-177.1	-72.3	-40	0	0	0	114.3	Q720 S726	Q720-D724 PolarHBondContact O-N 3.41Å; D724-S726 PolarHBondContact O-N 2.75Å
725	V	40.2	Very low	41.1	Very low	115 Å²	115	130.5 Å²	130.5	70%	0.697	66%	0.66	S	S	*	*	G	3₁₀ helix	trans	-67.6	-13	167.9	-168.8	0	0	0	0	112.2	Q723	Q723-V725 PolarHBondContact O-N 3.05Å
726	S	30.7	Very low	39.6	Very low	93 Å²	93	135.5 Å²	135.5	65%	0.65	69%	0.689	S	S	*	*	G	3₁₀ helix	trans	-89	2.5	-170	-40.9	0	0	0	0	115.4	Q723 D724	Q723-S726 WeakPolarHBondContact O-CB 3.41Å; Q723-S726 PolarHBondContact O-N 2.67Å; Q723-S726 PolarHBondContact O-OG 3.15Å; D724-S726 PolarHBondContact O-N 2.75Å
727	K	30.2	Very low	38.2	Very low	174 Å²	174	137.2 Å²	137.2	76%	0.757	70%	0.703	S	S	*	*			trans	-128.2	66.6	-168.6	-69.4	-179.8	-177.9	164.4	0	113.9
728	V	32.5	Very low	36.9	Very low	141 Å²	141	135.6 Å²	135.6	86%	0.855	71%	0.708	S	S	*	*			trans	-134.3	133	163.1	-170.7	0	0	0	0	108.9
729	E	28.1	Very low	35.8	Very low	179 Å²	179	141.6 Å²	141.6	84%	0.836	74%	0.739	S	S	*	*			trans	-74.7	160.8	-175.1	-80.1	-72.3	124.2	0	0	113.4
730	P	35.8	Very low	34.6	Very low	110 Å²	110	144.7 Å²	144.7	71%	0.714	75%	0.753	S	S	*	*			trans	-99.2	132.5	-157.2	35.7	-33.9	0	0	0	116.1
731	W	25.1	Very low	33.5	Very low	234 Å²	234	141.8 Å²	141.8	89%	0.886	76%	0.757	S	S	*	*			trans	-152.9	157	156.1	-162.4	44.7	0	0	0	112.2
732	E	25.5	Very low	32.9	Very low	140 Å²	140	145.1 Å²	145.1	65%	0.654	77%	0.774	S	S	*	*			trans	57.5	104	174.5	-69.9	-77	99	0	0	118.7	S734	E732-S734 PolarHBondContact O-N 3Å
733	P	38	Very low	32.1	Very low	122 Å²	122	141.9 Å²	141.9	79%	0.792	78%	0.775	S	S	*	*			trans	-94.9	86.6	-179.9	36.1	-33.1	0	0	0	114
734	S	32.8	Very low	31.6	Very low	114 Å²	114	142.8 Å²	142.8	80%	0.797	79%	0.789	S	S	*	*			trans	-160.3	137.9	161.1	-90.6	0	0	0	0	113.8	E732	E732-S734 PolarHBondContact O-N 3Å
735	K	33.4	Very low	31.4	Very low	208 Å²	208	142.5 Å²	142.5	90%	0.904	78%	0.784	S	S	*	*			trans	65.1	76.8	-176.9	-54	172.8	-176.5	169.5	0	115
736	N	30.7	Very low	31	Very low	164 Å²	164	139.7 Å²	139.7	88%	0.877	78%	0.779	S	S	*	*			trans	-139.4	84.8	160.4	-138.2	-13.3	0	0	0	111.2
737	T	31.3	Very low	31.4	Very low	127 Å²	127	139 Å²	139	78%	0.779	78%	0.778	S	S	*	*			trans	-153.7	123.7	176.8	-50.3	0	0	0	0	109.4
738	L	31.6	Very low	31.7	Very low	151 Å²	151	137.2 Å²	137.2	79%	0.791	77%	0.773	S	S	*	*			trans	64.2	82.3	171.3	-64.8	162.2	0	0	0	118
739	I	30.7	Very low	32.1	Very low	176 Å²	176	135.4 Å²	135.4	90%	0.903	75%	0.754	S	S	*	*			trans	-123.9	91.1	145	-60.2	178.2	0	0	0	108.6
740	M	30.1	Very low	33.2	Very low	172 Å²	172	134.5 Å²	134.5	85%	0.847	75%	0.747	S	S	*	*			trans	-93	96.8	165.6	-85.8	-171.7	165	0	0	109.7
741	G	28.3	Very low	34.3	Very low	66 Å²	66	130.5 Å²	130.5	68%	0.68	72%	0.722	S	S	*	*			trans	-84.4	127.5	155.5	0	0	0	0	0	108.4
742	L	33.4	Very low	36.4	Very low	176 Å²	176	119.7 Å²	119.7	92%	0.921	68%	0.682	S	S	*	*			cis	64.1	33.7	40.6	-59.4	172.6	0	0	0	114.9
743	G	26.3	Very low	38.6	Very low	65 Å²	65	113.9 Å²	113.9	67%	0.67	66%	0.658	S	S	*	*			trans	-85.4	149.7	154.7	0	0	0	0	0	112.5	Q745	G743-Q745 PolarHBondContact O-N 3.43Å; G743-Q745 VanDerWaalsContact O-N 3.14Å
744	T	33.1	Very low	40.4	Very low	149 Å²	149	110.7 Å²	110.7	91%	0.914	64%	0.638	S	S	*	*	S	Bend	trans	-84.2	82.3	-171.9	45.9	0	0	0	0	113.9
745	Q	31.9	Very low	42.6	Very low	117 Å²	117	105.4 Å²	105.4	55%	0.547	60%	0.601	S	S	.	*			trans	-124	47.4	175.6	-67.1	-170.9	-2.8	0	0	113.9	G743 K749	G743-Q745 PolarHBondContact O-N 3.43Å; G743-Q745 VanDerWaalsContact O-N 3.14Å; Q745-K749 VanDerWaalsContact O-CE 3.25Å; Q745-K749 WeakPolarHBondContact O-CE 3.34Å
746	G	32.2	Very low	44.9	Very low	56 Å²	56	95.5 Å²	95.5	58%	0.577	56%	0.558	S	S	*	*			trans	-93.8	-13.3	-175.7	0	0	0	0	0	117
747	A	38.1	Very low	47.2	Very low	78 Å²	78	89.2 Å²	89.2	65%	0.645	53%	0.526	S	S	*	.	S	Bend	trans	-95.5	-56.3	-167.4	0	0	0	0	0	113.8	K749 K750	A747-K749 PolarHBondContact O-N 3.02Å; A747-K750 PolarHBondContact O-N 3.32Å
748	E	37	Very low	49.6	Very low	136 Å²	136	85.6 Å²	85.6	64%	0.636	50%	0.5	S	S	*	.	H	α-helix	trans	-57.8	-36	-175.5	-59.2	-176.7	152.1	0	0	112.8	K750 S751	E748-K750 PolarHBondContact O-N 2.9Å; E748-S751 PolarHBondContact O-N 2.96Å; E748-S751 PolarHBondContact O-OG 2.93Å
749	K	40.8	Very low	52	Low	104 Å²	104	78.5 Å²	78.5	45%	0.452	46%	0.463	S	S	.	.	H	α-helix	trans	-57.9	-9.9	177	-51.8	-163.9	-170.5	-152.9	0	113.6	Q745 A747	Q745-K749 VanDerWaalsContact O-CE 3.25Å; Q745-K749 WeakPolarHBondContact O-CE 3.34Å; A747-K749 PolarHBondContact O-N 3.02Å
750	K	50.1	Low	54.4	Low	159 Å²	159	70.1 Å²	70.1	69%	0.691	42%	0.42	S	S	*	.	H	α-helix	trans	-113.6	-14.8	177.6	-62.5	-178.9	-177.9	175.9	0	114.7	A747 E748 S754	A747-K750 PolarHBondContact O-N 3.32Å; E748-K750 PolarHBondContact O-N 2.9Å; K750-S754 WeakPolarHBondContact O-CB 3.42Å; K750-S754 PolarHBondContact O-N 3.07Å
751	S	60.8	Low	56.7	Low	27 Å²	27	64.2 Å²	64.2	19%	0.189	40%	0.399	C	S	.	.	H	α-helix	trans	-76.1	-57.4	-176.6	62.4	0	0	0	0	112	Q678 E748 A753 S754 I755	Q678-S751 PolarHBondContact OE1-OG 3.48Å; E748-S751 PolarHBondContact O-N 2.96Å; E748-S751 PolarHBondContact O-OG 2.93Å; S751-A753 PolarHBondContact O-N 3.39Å; S751-S754 CarbonylContact O-C 3.51Å; S751-S754 PolarHBondContact O-N 2.88Å; S751-S754 VanDerWaalsContact O-N 3.14Å; S751-I755 WeakPolarHBondContact O-CG1 3.38Å; S751-I755 PolarHBondContact O-N 3.01Å
752	A	68.7	Low	59.2	Low	6 Å²	6	64 Å²	64	5%	0.05	38%	0.382	C	S	.	.	H	α-helix	trans	-63.4	-48.6	-170.6	0	0	0	0	0	112.2	H711 S754 I755 A756	H711-A752 HydrophobicContact CB-CB 3.93Å; A752-S754 VanDerWaalsContact C-N 3.33Å; A752-S754 PolarHBondContact O-N 2.99Å; A752-I755 PolarHBondContact O-N 3.45Å; A752-I755 VanDerWaalsContact O-N 3.15Å; A752-A756 PolarHBondContact O-N 2.87Å
753	A	71.1	Confident	61.3	Low	19 Å²	19	57 Å²	57	16%	0.157	35%	0.352	C	S	.	.	H	α-helix	trans	-63.5	-35.8	175.4	0	0	0	0	0	112.5	S751 I755 C757 L785	S751-A753 PolarHBondContact O-N 3.39Å; A753-I755 VanDerWaalsContact C-N 3.35Å; A753-C757 WeakPolarHBondContact O-CB 3.25Å; A753-C757 PolarHBondContact O-N 2.93Å; A753-C757 PolarHBondContact O-SG 2.72Å; A753-C757 VanDerWaalsContact O-SG 3.38Å; A753-L785 HydrophobicContact CB-CD1 4.07Å; A753-L785 HydrophobicContact CB-CD2 4.01Å
754	S	76.1	Confident	64.2	Low	54 Å²	54	53.9 Å²	53.9	38%	0.378	32%	0.32	S	S	.	.	H	α-helix	trans	-70.2	-30.5	174.2	-177.8	0	0	0	0	112.7	K750 S751 A752 F758	K750-S754 WeakPolarHBondContact O-CB 3.42Å; K750-S754 PolarHBondContact O-N 3.07Å; S751-S754 CarbonylContact O-C 3.51Å; S751-S754 PolarHBondContact O-N 2.88Å; S751-S754 VanDerWaalsContact O-N 3.14Å; A752-S754 VanDerWaalsContact C-N 3.33Å; A752-S754 PolarHBondContact O-N 2.99Å; S754-F758 WeakPolarHBondContact O-CB 3.33Å; S754-F758 PolarHBondContact O-N 3.06Å
755	I	79.4	Confident	66.5	Low	4 Å²	4	49 Å²	49	2%	0.021	29%	0.289	C	S	.	.	H	α-helix	trans	-71.3	-47.6	174.7	-72.7	168	0	0	0	109.6	V675 T680 V683 A707 S751 A752 A753 C757 F758 L759	V675-I755 HydrophobicContact CB-CG2 4.44Å; V675-I755 HydrophobicContact CG1-CG2 3.98Å; V675-I755 HydrophobicContact CG2-CG2 3.83Å; T680-I755 HydrophobicContact CG2-CD1 3.86Å; T680-I755 HydrophobicContact CG2-CG1 3.9Å; V683-I755 HydrophobicContact CG1-CG2 4.42Å; A707-I755 HydrophobicContact CB-CG2 4.05Å; S751-I755 WeakPolarHBondContact O-CG1 3.38Å; S751-I755 PolarHBondContact O-N 3.01Å; A752-I755 PolarHBondContact O-N 3.45Å; A752-I755 VanDerWaalsContact O-N 3.15Å; A753-I755 VanDerWaalsContact C-N 3.35Å; I755-C757 PolarHBondContact O-N 3.28Å; I755-F758 PolarHBondContact O-N 3.19Å; I755-F758 VanDerWaalsContact O-N 3.15Å; I755-L759 HydrophobicContact CG2-CD1 3.97Å; I755-L759 HydrophobicContact CG2-CG 4.45Å; I755-L759 WeakPolarHBondContact O-CG 3.27Å; I755-L759 PolarHBondContact O-N 3.1Å
756	A	81.9	Confident	68.9	Low	0 Å²	0	43.9 Å²	43.9	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-58.3	-48.8	176.4	0	0	0	0	0	112.1	L704 A707 L708 A752 F758 L759 A760 L789	L704-A756 HydrophobicContact CD1-CB 3.85Å; A707-A756 HydrophobicContact CB-CB 4Å; L708-A756 HydrophobicContact CD2-CB 3.67Å; L708-A756 HydrophobicContact CG-CB 4.03Å; A752-A756 PolarHBondContact O-N 2.87Å; A756-F758 VanDerWaalsContact C-N 3.32Å; A756-F758 PolarHBondContact O-N 2.81Å; A756-L759 PolarHBondContact O-N 2.81Å; A756-A760 WeakPolarHBondContact O-CB 3.35Å; A756-A760 PolarHBondContact O-N 3.04Å; A756-L789 HydrophobicContact CB-CD2 4.11Å
757	C	78.4	Confident	71.3	Confident	31 Å²	31	45.8 Å²	45.8	21%	0.209	27%	0.265	C	S	.	.	H	α-helix	trans	-63.2	-34.9	175.2	-72.1	0	0	0	0	112.9	A753 I755 A761	A753-C757 WeakPolarHBondContact O-CB 3.25Å; A753-C757 PolarHBondContact O-N 2.93Å; A753-C757 PolarHBondContact O-SG 2.72Å; A753-C757 VanDerWaalsContact O-SG 3.38Å; I755-C757 PolarHBondContact O-N 3.28Å; C757-A761 WeakPolarHBondContact O-CB 3.36Å; C757-A761 PolarHBondContact O-N 3.1Å
758	F	81.2	Confident	73.6	Confident	52 Å²	52	43.9 Å²	43.9	23%	0.228	24%	0.244	C	C	.	.	H	α-helix	trans	-68.8	-43.5	176.1	179.3	-101.4	0	0	0	112	V683 R684 V687 S754 I755 A756 A761 N762	V683-F758 HydrophobicContact CG1-CD1 4.21Å; V683-F758 HydrophobicContact CG1-CE1 4.41Å; R684-F758 HydrophobicContact CB-CE1 4.4Å; R684-F758 HydrophobicContact CB-CZ 4.23Å; R684-F758 HydrophobicContact CG-CD1 4.39Å; R684-F758 HydrophobicContact CG-CE1 3.85Å; R684-F758 HydrophobicContact CG-CE2 4.06Å; R684-F758 HydrophobicContact CG-CZ 3.68Å; V687-F758 HydrophobicContact CB-CE1 3.9Å; V687-F758 HydrophobicContact CB-CZ 4.38Å; V687-F758 HydrophobicContact CG1-CE1 3.97Å; V687-F758 HydrophobicContact CG1-CZ 4.21Å; V687-F758 HydrophobicContact CG2-CE1 3.99Å; S754-F758 WeakPolarHBondContact O-CB 3.33Å; S754-F758 PolarHBondContact O-N 3.06Å; I755-F758 PolarHBondContact O-N 3.19Å; I755-F758 VanDerWaalsContact O-N 3.15Å; A756-F758 VanDerWaalsContact C-N 3.32Å; A756-F758 PolarHBondContact O-N 2.81Å; F758-A761 PolarHBondContact O-N 3.1Å; F758-N762 VanDerWaalsContact CE2-ND2 3.27Å; F758-N762 WeakPolarHBondContact CE2-ND2 3.49Å; F758-N762 VanDerWaalsContact CZ-ND2 3.33Å; F758-N762 WeakPolarHBondContact CZ-ND2 3.19Å; F758-N762 PolarHBondContact O-N 3.2Å; F758-N762 PolarHBondContact O-ND2 3.28Å
759	L	83.1	Confident	75.9	Confident	1 Å²	1	44 Å²	44	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-62.3	-48.2	175.3	-69.7	169.7	0	0	0	111.1	L671 V675 V683 V687 L693 P703 L704 I755 A756 A761 N762 G763 A764	L671-L759 HydrophobicContact CD1-CD2 4.49Å; L671-L759 HydrophobicContact CD2-CD2 4.33Å; V675-L759 HydrophobicContact CG2-CD1 4.13Å; V683-L759 HydrophobicContact CG1-CD2 4.34Å; V687-L759 HydrophobicContact CG2-CD2 4.09Å; L693-L759 HydrophobicContact CD2-CD2 4.2Å; P703-L759 HydrophobicContact CB-CD1 4.28Å; L704-L759 HydrophobicContact CB-CD1 4.5Å; L704-L759 HydrophobicContact CD1-CB 4.2Å; L704-L759 HydrophobicContact CD1-CD1 4.47Å; I755-L759 HydrophobicContact CG2-CD1 3.97Å; I755-L759 HydrophobicContact CG2-CG 4.45Å; I755-L759 WeakPolarHBondContact O-CG 3.27Å; I755-L759 PolarHBondContact O-N 3.1Å; A756-L759 PolarHBondContact O-N 2.81Å; L759-A761 PolarHBondContact O-N 3.34Å; L759-N762 PolarHBondContact O-N 2.77Å; L759-G763 PolarHBondContact O-N 2.93Å; L759-G763 VanDerWaalsContact O-N 3.09Å; L759-A764 HydrophobicContact CB-CB 4.12Å; L759-A764 WeakPolarHBondContact O-CB 3.49Å; L759-A764 PolarHBondContact O-N 2.95Å
760	A	81.3	Confident	78.1	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-60.6	-41.5	177.1	0	0	0	0	0	112.6	A756 N762 G763 L789	A756-A760 WeakPolarHBondContact O-CB 3.35Å; A756-A760 PolarHBondContact O-N 3.04Å; A760-N762 VanDerWaalsContact C-N 3.35Å; A760-N762 PolarHBondContact O-N 2.67Å; A760-G763 PolarHBondContact O-N 2.99Å; A760-G763 VanDerWaalsContact O-N 3.12Å; A760-L789 HydrophobicContact CB-CD2 3.79Å
761	A	78.3	Confident	79.8	Confident	49 Å²	49	38.7 Å²	38.7	41%	0.405	22%	0.216	S	C	.	.	H	α-helix	trans	-68.3	-29.3	176.9	0	0	0	0	0	113.6	C757 F758 L759 G763 C792	C757-A761 WeakPolarHBondContact O-CB 3.36Å; C757-A761 PolarHBondContact O-N 3.1Å; F758-A761 PolarHBondContact O-N 3.1Å; L759-A761 PolarHBondContact O-N 3.34Å; A761-G763 VanDerWaalsContact C-N 3.29Å; A761-C792 HydrophobicContact CB-CB 4.12Å
762	N	80	Confident	80.8	Confident	61 Å²	61	43.7 Å²	43.7	33%	0.326	23%	0.234	S	C	.	.	H	α-helix	trans	-79.4	-14.1	172.3	-75.2	-88.9	0	0	0	112.5	V687 L693 F758 L759 A760 K796	V687-N762 HydrophobicContact CG1-CB 3.76Å; L693-N762 HydrophobicContact CD1-CB 4.09Å; F758-N762 VanDerWaalsContact CE2-ND2 3.27Å; F758-N762 WeakPolarHBondContact CE2-ND2 3.49Å; F758-N762 VanDerWaalsContact CZ-ND2 3.33Å; F758-N762 WeakPolarHBondContact CZ-ND2 3.19Å; F758-N762 PolarHBondContact O-N 3.2Å; F758-N762 PolarHBondContact O-ND2 3.28Å; L759-N762 PolarHBondContact O-N 2.77Å; A760-N762 VanDerWaalsContact C-N 3.35Å; A760-N762 PolarHBondContact O-N 2.67Å; N762-K796 PolarHBondContact O-NZ 2.83Å
763	G	78.6	Confident	81.4	Confident	28 Å²	28	45.3 Å²	45.3	29%	0.289	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	116.5	19.4	168.8	0	0	0	0	0	115.8	L759 A760 A761	L759-G763 PolarHBondContact O-N 2.93Å; L759-G763 VanDerWaalsContact O-N 3.09Å; A760-G763 PolarHBondContact O-N 2.99Å; A760-G763 VanDerWaalsContact O-N 3.12Å; A761-G763 VanDerWaalsContact C-N 3.29Å
764	A	85.8	Confident	81.9	Confident	1 Å²	1	47.4 Å²	47.4	1%	0.008	26%	0.258	C	S	.	.			trans	-59.4	144.7	169.9	0	0	0	0	0	111.3	L693 D694 L704 L759 H793	L693-A764 HydrophobicContact CB-CB 3.91Å; L693-A764 HydrophobicContact CD1-CB 4.11Å; D694-A764 WeakPolarHBondContact OD1-CA 3.37Å; L704-A764 HydrophobicContact CB-CB 4.48Å; L704-A764 HydrophobicContact CD2-CB 3.95Å; L759-A764 HydrophobicContact CB-CB 4.12Å; L759-A764 WeakPolarHBondContact O-CB 3.49Å; L759-A764 PolarHBondContact O-N 2.95Å; A764-H793 PolarHBondContact O-ND1 2.88Å
765	D	82.6	Confident	82.4	Confident	47 Å²	47	45.2 Å²	45.2	25%	0.251	24%	0.242	S	C	.	.			trans	-80.6	132.8	-175.7	-166.6	-10.3	0	0	0	111.7	D694 T767 I768	D694-D765 PolarHBondContact OD1-N 3.19Å; D765-T767 VanDerWaalsContact CG-OG1 3.3Å; D765-T767 WeakPolarHBondContact OD1-CB 3.25Å; D765-T767 PolarHBondContact OD1-N 3.03Å; D765-T767 PolarHBondContact OD1-OG1 2.98Å; D765-T767 PolarHBondContact OD2-OG1 2.98Å; D765-T767 VanDerWaalsContact OD2-OG1 3.13Å; D765-I768 HydrophobicContact CB-CD1 3.81Å; D765-I768 HydrophobicContact CB-CG1 3.95Å
766	L	82.7	Confident	82.4	Confident	9 Å²	9	45 Å²	45	5%	0.047	24%	0.241	C	C	.	.	S	Bend	trans	-92.1	-2	177.3	-69.8	169.9	0	0	0	112.9	L704 P776 L777 L789 H793	L704-L766 HydrophobicContact CD2-CD2 3.7Å; L704-L766 HydrophobicContact CD2-CG 4.44Å; L766-P776 HydrophobicContact CD2-CB 4.49Å; L766-L777 HydrophobicContact CB-CD1 4.08Å; L766-L777 HydrophobicContact CB-CG 4.2Å; L766-L777 HydrophobicContact CD2-CD2 4.02Å; L766-L777 HydrophobicContact CD2-CG 4.18Å; L766-L789 HydrophobicContact CD1-CB 4.4Å; L766-L789 HydrophobicContact CD2-CB 4.26Å; L766-H793 HydrophobicContact CD1-CB 3.59Å
767	T	82.6	Confident	82.3	Confident	96 Å²	96	47.9 Å²	47.9	59%	0.589	26%	0.256	S	S	*	.	S	Bend	trans	-112.4	-18.8	-170.2	73.2	0	0	0	0	114.8	D765 R769	D765-T767 VanDerWaalsContact CG-OG1 3.3Å; D765-T767 WeakPolarHBondContact OD1-CB 3.25Å; D765-T767 PolarHBondContact OD1-N 3.03Å; D765-T767 PolarHBondContact OD1-OG1 2.98Å; D765-T767 PolarHBondContact OD2-OG1 2.98Å; D765-T767 VanDerWaalsContact OD2-OG1 3.13Å; T767-R769 PolarHBondContact O-N 3.39Å
768	I	85.1	Confident	82.4	Confident	38 Å²	38	50.7 Å²	50.7	20%	0.195	27%	0.269	C	S	.	.			trans	-53.9	136.7	173	-67.2	173.7	0	0	0	109.6	D694 Q696 T702 H705 D765 S775 P776	D694-I768 HydrophobicContact CB-CD1 3.73Å; Q696-I768 HydrophobicContact CG-CG2 4.24Å; T702-I768 HydrophobicContact CG2-CD1 4.35Å; T702-I768 HydrophobicContact CG2-CG2 3.98Å; H705-I768 PolarHBondContact CE1-O 3.13Å; H705-I768 PolarHBondContact NE2-O 2.98Å; D765-I768 HydrophobicContact CB-CD1 3.81Å; D765-I768 HydrophobicContact CB-CG1 3.95Å; I768-S775 WeakPolarHBondContact O-CA 3.33Å; I768-P776 WeakPolarHBondContact O-CD 3.48Å
769	R	85.8	Confident	82	Confident	138 Å²	138	49 Å²	49	52%	0.521	26%	0.263	S	S	.	.			trans	-109.8	134.9	177.4	-66.7	-177.7	178	-71.5	-10.6	111.4	Q696 T767 G773 Q774 D778	Q696-R769 PolarHBondContact NE2-O 2.91Å; Q696-R769 VanDerWaalsContact NE2-O 3.08Å; T767-R769 PolarHBondContact O-N 3.39Å; R769-G773 WeakPolarHBondContact CD-O 3.39Å; R769-G773 PolarHBondContact NH1-O 3.42Å; R769-Q774 CarbonylContact C-O 3.59Å; R769-Q774 VanDerWaalsContact CA-O 3.28Å; R769-Q774 WeakPolarHBondContact CA-O 3.41Å; R769-D778 IonicContact CZ-OD2 2.7Å; R769-D778 IonicContact NH1-OD2 3.39Å; R769-D778 PolarHBondContact NH1-OD2 3.2Å; R769-D778 IonicContact NH2-OD2 2.73Å
770	N	86.8	Confident	81.6	Confident	7 Å²	7	49.6 Å²	49.6	4%	0.037	27%	0.267	C	S	.	.			trans	-73	178.9	172.5	70.9	13.7	0	0	0	112.4	G700 D701 K772 G773 Q774	G700-N770 VanDerWaalsContact C-CB 3.49Å; G700-N770 VanDerWaalsContact O-CA 3.28Å; G700-N770 WeakPolarHBondContact O-CA 3.49Å; G700-N770 WeakPolarHBondContact O-CB 3.49Å; D701-N770 WeakPolarHBondContact OD1-CB 3.39Å; D701-N770 PolarHBondContact OD1-ND2 3.21Å; N770-K772 PolarHBondContact O-N 2.84Å; N770-K772 VanDerWaalsContact O-N 3.08Å; N770-K772 WeakPolarHBondContact OD1-CA 3.31Å; N770-K772 WeakPolarHBondContact OD1-CB 3.23Å; N770-K772 PolarHBondContact OD1-N 3.4Å; N770-G773 PolarHBondContact O-N 2.89Å; N770-G773 PolarHBondContact OD1-N 2.79Å; N770-Q774 PolarHBondContact N-O 3.1Å; N770-Q774 PolarHBondContact OD1-N 2.62Å; N770-Q774 PolarHBondContact OD1-O 3.5Å
771	K	86.4	Confident	80.7	Confident	144 Å²	144	52.8 Å²	52.8	63%	0.626	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-7.1	-178	-62.1	176.4	-170.6	177.1	0	113.8	K698 D699	K698-K771 WeakPolarHBondContact O-CD 3.48Å; K698-K771 VanDerWaalsContact O-CE 3.32Å; K698-K771 WeakPolarHBondContact O-CE 3.4Å; K698-K771 PolarHBondContact O-NZ 2.76Å; D699-K771 VanDerWaalsContact O-CB 3.29Å; D699-K771 WeakPolarHBondContact O-CB 3.45Å; D699-K771 WeakPolarHBondContact O-CG 3.31Å; D699-K771 PolarHBondContact O-N 3.38Å
772	K	81.8	Confident	80.3	Confident	133 Å²	133	52.8 Å²	52.8	58%	0.578	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	4.5	171	-61.8	162.8	-174.4	155.9	0	112.2	N770 Q774	N770-K772 PolarHBondContact O-N 2.84Å; N770-K772 VanDerWaalsContact O-N 3.08Å; N770-K772 WeakPolarHBondContact OD1-CA 3.31Å; N770-K772 WeakPolarHBondContact OD1-CB 3.23Å; N770-K772 PolarHBondContact OD1-N 3.4Å; K772-Q774 HydrophobicContact CB-CG 4.2Å; K772-Q774 PolarHBondContact O-N 2.93Å
773	G	79.6	Confident	79.7	Confident	40 Å²	40	54.1 Å²	54.1	41%	0.412	29%	0.293	S	S	.	.	S	Bend	trans	75.6	6.1	-179	0	0	0	0	0	114.5	R769 N770	R769-G773 WeakPolarHBondContact CD-O 3.39Å; R769-G773 PolarHBondContact NH1-O 3.42Å; N770-G773 PolarHBondContact O-N 2.89Å; N770-G773 PolarHBondContact OD1-N 2.79Å
774	Q	82.8	Confident	79.3	Confident	63 Å²	63	56.4 Å²	56.4	29%	0.294	30%	0.304	S	S	.	.			trans	-88.1	139.5	-178.2	-52.1	-179.9	-78.5	0	0	110.3	H705 R769 N770 K772 D778 L779	H705-Q774 PolarHBondContact NE2-O 2.92Å; R769-Q774 CarbonylContact C-O 3.59Å; R769-Q774 VanDerWaalsContact CA-O 3.28Å; R769-Q774 WeakPolarHBondContact CA-O 3.41Å; N770-Q774 PolarHBondContact N-O 3.1Å; N770-Q774 PolarHBondContact OD1-N 2.62Å; N770-Q774 PolarHBondContact OD1-O 3.5Å; K772-Q774 HydrophobicContact CB-CG 4.2Å; K772-Q774 PolarHBondContact O-N 2.93Å; Q774-D778 HydrophobicContact CB-CB 4.26Å; Q774-L779 HydrophobicContact CB-CD2 4.49Å
775	S	85.7	Confident	78.5	Confident	7 Å²	7	56.9 Å²	56.9	5%	0.049	31%	0.307	C	S	.	.			trans	-91.1	168.2	166.9	68.8	0	0	0	0	111.4	I768 L777 D778 L779	I768-S775 WeakPolarHBondContact O-CA 3.33Å; S775-L777 PolarHBondContact O-N 3.22Å; S775-D778 WeakPolarHBondContact CB-OD2 3.31Å; S775-D778 PolarHBondContact N-OD2 3.47Å; S775-D778 WeakPolarHBondContact O-CB 3.48Å; S775-D778 PolarHBondContact O-N 2.8Å; S775-D778 PolarHBondContact OG-N 2.94Å; S775-D778 PolarHBondContact OG-OD2 2.86Å; S775-L779 PolarHBondContact O-N 3.01Å
776	P	81.1	Confident	78.1	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-35.1	174.3	-23.8	32	0	0	0	113.1	L704 L708 L766 I768 L779	L704-P776 HydrophobicContact CD2-CB 4.27Å; L704-P776 HydrophobicContact CD2-CG 4.34Å; L704-P776 HydrophobicContact CG-CB 4.01Å; L704-P776 HydrophobicContact CG-CG 4.3Å; L708-P776 HydrophobicContact CD1-CB 3.88Å; L708-P776 VanDerWaalsContact CD1-O 3.23Å; L708-P776 WeakPolarHBondContact CD1-O 3.49Å; L766-P776 HydrophobicContact CD2-CB 4.49Å; I768-P776 WeakPolarHBondContact O-CD 3.48Å; P776-L779 PolarHBondContact O-N 3.21Å
777	L	79.6	Confident	77.5	Confident	60 Å²	60	63.1 Å²	63.1	31%	0.314	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-69.3	-34.6	177.2	-67	174.7	0	0	0	112.2	L766 S775 L779 C780 L789	L766-L777 HydrophobicContact CB-CD1 4.08Å; L766-L777 HydrophobicContact CB-CG 4.2Å; L766-L777 HydrophobicContact CD2-CD2 4.02Å; L766-L777 HydrophobicContact CD2-CG 4.18Å; S775-L777 PolarHBondContact O-N 3.22Å; L777-L779 PolarHBondContact O-N 3.13Å; L777-C780 PolarHBondContact O-N 2.87Å; L777-C780 VanDerWaalsContact O-N 3.13Å; L777-L789 HydrophobicContact CD2-CD1 4.47Å
778	D	79.3	Confident	77	Confident	90 Å²	90	60.4 Å²	60.4	48%	0.481	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-67.5	-14.4	175	-57.9	-48	0	0	0	112.4	R769 Q774 S775	R769-D778 IonicContact CZ-OD2 2.7Å; R769-D778 IonicContact NH1-OD2 3.39Å; R769-D778 PolarHBondContact NH1-OD2 3.2Å; R769-D778 IonicContact NH2-OD2 2.73Å; Q774-D778 HydrophobicContact CB-CB 4.26Å; S775-D778 WeakPolarHBondContact CB-OD2 3.31Å; S775-D778 PolarHBondContact N-OD2 3.47Å; S775-D778 WeakPolarHBondContact O-CB 3.48Å; S775-D778 PolarHBondContact O-N 2.8Å; S775-D778 PolarHBondContact OG-N 2.94Å; S775-D778 PolarHBondContact OG-OD2 2.86Å
779	L	74.3	Confident	76.5	Confident	18 Å²	18	58.6 Å²	58.6	9%	0.094	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-95.4	-1.6	174.8	-64.4	177	0	0	0	113.8	H705 L708 T712 Q774 S775 P776 L777 P781	H705-L779 HydrophobicContact CB-CD1 3.99Å; L708-L779 HydrophobicContact CB-CB 4.37Å; T712-L779 PolarHBondContact OG1-O 3.44Å; Q774-L779 HydrophobicContact CB-CD2 4.49Å; S775-L779 PolarHBondContact O-N 3.01Å; P776-L779 PolarHBondContact O-N 3.21Å; L777-L779 PolarHBondContact O-N 3.13Å; L779-P781 WeakPolarHBondContact O-CD 3.12Å
780	C	73.7	Confident	75.8	Confident	13 Å²	13	53.9 Å²	53.9	9%	0.088	30%	0.304	C	S	.	.			trans	-106.4	104.9	-172.3	-173.1	0	0	0	0	112.5	L708 L777 C786	L708-C780 HydrophobicContact CD1-CB 4.42Å; L708-C780 HydrophobicContact CD2-CB 4.41Å; L777-C780 PolarHBondContact O-N 2.87Å; L777-C780 VanDerWaalsContact O-N 3.13Å; C780-C786 PolarHBondContact O-SG 3.19Å; C780-C786 VanDerWaalsContact O-SG 3.41Å; C780-C786 PolarHBondContact SG-SG 3.46Å
781	P	61.8	Low	75	Confident	66 Å²	66	59.4 Å²	59.4	43%	0.429	33%	0.327	S	S	.	.			trans	-78.2	-19.4	-175	31.9	-38.7	0	0	0	114.3	T712 L779 P783	T712-P781 HydrophobicContact CG2-CG 4.08Å; T712-P781 WeakPolarHBondContact OG1-CD 3.38Å; L779-P781 WeakPolarHBondContact O-CD 3.12Å; P781-P783 WeakPolarHBondContact O-CD 3.31Å
782	D	70.2	Confident	74.2	Confident	49 Å²	49	54.2 Å²	54.2	26%	0.262	31%	0.309	S	S	.	.			trans	-88.2	113.4	-175.8	178.7	-10.9	0	0	0	111.3	S784 L785 C786	D782-S784 VanDerWaalsContact CG-OG 3.27Å; D782-S784 PolarHBondContact O-N 2.89Å; D782-S784 WeakPolarHBondContact OD1-CA 2.76Å; D782-S784 VanDerWaalsContact OD1-CB 3.26Å; D782-S784 WeakPolarHBondContact OD1-CB 3.44Å; D782-S784 PolarHBondContact OD1-N 3.35Å; D782-S784 PolarHBondContact OD1-OG 3.15Å; D782-S784 PolarHBondContact OD2-OG 2.79Å; D782-L785 HydrophobicContact CB-CB 3.88Å; D782-L785 PolarHBondContact O-N 2.96Å; D782-L785 PolarHBondContact OD1-N 2.84Å; D782-C786 PolarHBondContact O-N 2.88Å; D782-C786 PolarHBondContact O-SG 3.16Å; D782-C786 VanDerWaalsContact O-SG 3.41Å
783	P	67.2	Low	73.3	Confident	89 Å²	89	50.3 Å²	50.3	58%	0.578	29%	0.293	S	S	*	.	H	α-helix	trans	-66.3	-16.6	180	-19.7	33.8	0	0	0	114.4	P781 K787	P781-P783 WeakPolarHBondContact O-CD 3.31Å; P783-K787 VanDerWaalsContact O-CD 3.28Å; P783-K787 WeakPolarHBondContact O-CD 3.45Å; P783-K787 VanDerWaalsContact O-CG 3.23Å; P783-K787 WeakPolarHBondContact O-CG 3.37Å; P783-K787 PolarHBondContact O-N 3.09Å
784	S	69.9	Low	72.3	Confident	76 Å²	76	55.6 Å²	55.6	53%	0.531	30%	0.304	S	S	.	.	H	α-helix	trans	-82	-40.5	173.7	80.3	0	0	0	0	111.5	D782 K787 A788	D782-S784 VanDerWaalsContact CG-OG 3.27Å; D782-S784 PolarHBondContact O-N 2.89Å; D782-S784 WeakPolarHBondContact OD1-CA 2.76Å; D782-S784 VanDerWaalsContact OD1-CB 3.26Å; D782-S784 WeakPolarHBondContact OD1-CB 3.44Å; D782-S784 PolarHBondContact OD1-N 3.35Å; D782-S784 PolarHBondContact OD1-OG 3.15Å; D782-S784 PolarHBondContact OD2-OG 2.79Å; S784-K787 PolarHBondContact O-N 3.45Å; S784-A788 PolarHBondContact O-N 3Å
785	L	70.7	Confident	71	Confident	12 Å²	12	58.4 Å²	58.4	6%	0.063	32%	0.317	C	S	.	.	H	α-helix	trans	-66.6	-42.1	174	-174.7	57.1	0	0	0	111.3	L708 A753 D782 K787 A788 L789	L708-L785 HydrophobicContact CD2-CD2 4.09Å; A753-L785 HydrophobicContact CB-CD1 4.07Å; A753-L785 HydrophobicContact CB-CD2 4.01Å; D782-L785 HydrophobicContact CB-CB 3.88Å; D782-L785 PolarHBondContact O-N 2.96Å; D782-L785 PolarHBondContact OD1-N 2.84Å; L785-K787 VanDerWaalsContact C-N 3.28Å; L785-K787 PolarHBondContact O-N 2.81Å; L785-A788 WeakPolarHBondContact O-CB 3.49Å; L785-A788 PolarHBondContact O-N 3.06Å; L785-A788 VanDerWaalsContact O-N 3.09Å; L785-L789 HydrophobicContact CD1-CG 4.36Å; L785-L789 HydrophobicContact CG-CD1 4.12Å; L785-L789 HydrophobicContact CG-CG 4.45Å; L785-L789 WeakPolarHBondContact O-CG 3.3Å; L785-L789 PolarHBondContact O-N 3.11Å
786	C	72.2	Confident	69.3	Low	33 Å²	33	64.6 Å²	64.6	22%	0.223	34%	0.343	C	S	.	.	H	α-helix	trans	-54.6	-43	171.8	-70.8	0	0	0	0	112.4	C780 D782 A790	C780-C786 PolarHBondContact O-SG 3.19Å; C780-C786 VanDerWaalsContact O-SG 3.41Å; C780-C786 PolarHBondContact SG-SG 3.46Å; D782-C786 PolarHBondContact O-N 2.88Å; D782-C786 PolarHBondContact O-SG 3.16Å; D782-C786 VanDerWaalsContact O-SG 3.41Å; C786-A790 VanDerWaalsContact O-CB 3.27Å; C786-A790 WeakPolarHBondContact O-CB 3.27Å; C786-A790 PolarHBondContact O-N 2.81Å
787	K	71.4	Confident	67.5	Low	153 Å²	153	68.2 Å²	68.2	67%	0.665	37%	0.369	S	S	*	.	H	α-helix	trans	-68.4	-35.9	177	-72.9	168.6	-170.9	174	0	112.3	P783 S784 L785 K791	P783-K787 VanDerWaalsContact O-CD 3.28Å; P783-K787 WeakPolarHBondContact O-CD 3.45Å; P783-K787 VanDerWaalsContact O-CG 3.23Å; P783-K787 WeakPolarHBondContact O-CG 3.37Å; P783-K787 PolarHBondContact O-N 3.09Å; S784-K787 PolarHBondContact O-N 3.45Å; L785-K787 VanDerWaalsContact C-N 3.28Å; L785-K787 PolarHBondContact O-N 2.81Å; K787-K791 VanDerWaalsContact O-CB 3.25Å; K787-K791 WeakPolarHBondContact O-CB 3.14Å; K787-K791 PolarHBondContact O-N 3.39Å
788	A	72.7	Confident	65.6	Low	39 Å²	39	69.7 Å²	69.7	32%	0.322	38%	0.384	S	S	.	.	H	α-helix	trans	-66	-49.1	175	0	0	0	0	0	111.7	S784 L785 K791 C792	S784-A788 PolarHBondContact O-N 3Å; L785-A788 WeakPolarHBondContact O-CB 3.49Å; L785-A788 PolarHBondContact O-N 3.06Å; L785-A788 VanDerWaalsContact O-N 3.09Å; A788-K791 WeakPolarHBondContact O-CB 3.47Å; A788-K791 PolarHBondContact O-N 2.97Å; A788-C792 PolarHBondContact O-N 3.07Å; A788-C792 PolarHBondContact O-SG 3.41Å; A788-C792 VanDerWaalsContact O-SG 3.39Å
789	L	74	Confident	63.7	Low	0 Å²	0	68.8 Å²	68.8	0%	0	40%	0.396	C	S	.	.	H	α-helix	trans	-58.8	-50.2	177.1	-67.3	167.1	0	0	0	111.5	L708 A756 A760 L766 L777 L785 K791 C792 H793	L708-L789 HydrophobicContact CD1-CD1 4.07Å; L708-L789 HydrophobicContact CD2-CD1 4.13Å; A756-L789 HydrophobicContact CB-CD2 4.11Å; A760-L789 HydrophobicContact CB-CD2 3.79Å; L766-L789 HydrophobicContact CD1-CB 4.4Å; L766-L789 HydrophobicContact CD2-CB 4.26Å; L777-L789 HydrophobicContact CD2-CD1 4.47Å; L785-L789 HydrophobicContact CD1-CG 4.36Å; L785-L789 HydrophobicContact CG-CD1 4.12Å; L785-L789 HydrophobicContact CG-CG 4.45Å; L785-L789 WeakPolarHBondContact O-CG 3.3Å; L785-L789 PolarHBondContact O-N 3.11Å; L789-K791 VanDerWaalsContact C-N 3.25Å; L789-K791 PolarHBondContact O-N 3.35Å; L789-C792 PolarHBondContact O-N 2.86Å; L789-H793 WeakPolarHBondContact O-CB 3.32Å; L789-H793 PolarHBondContact O-N 3.37Å
790	A	69.9	Low	61.7	Low	40 Å²	40	76.2 Å²	76.2	33%	0.331	43%	0.43	S	S	.	.	H	α-helix	trans	-63.7	-29.1	178.2	0	0	0	0	0	113.1	C786 K794	C786-A790 VanDerWaalsContact O-CB 3.27Å; C786-A790 WeakPolarHBondContact O-CB 3.27Å; C786-A790 PolarHBondContact O-N 2.81Å; A790-K794 WeakPolarHBondContact O-CB 3.39Å; A790-K794 WeakPolarHBondContact O-CG 3.15Å; A790-K794 PolarHBondContact O-N 2.91Å
791	K	71.8	Confident	59.8	Low	123 Å²	123	82.1 Å²	82.1	54%	0.535	47%	0.466	S	S	.	.	H	α-helix	trans	-71.1	-53	172.6	179.7	-179.6	169.4	-178.1	0	111.3	K787 A788 L789 H793 K794 E795	K787-K791 VanDerWaalsContact O-CB 3.25Å; K787-K791 WeakPolarHBondContact O-CB 3.14Å; K787-K791 PolarHBondContact O-N 3.39Å; A788-K791 WeakPolarHBondContact O-CB 3.47Å; A788-K791 PolarHBondContact O-N 2.97Å; L789-K791 VanDerWaalsContact C-N 3.25Å; L789-K791 PolarHBondContact O-N 3.35Å; K791-H793 PolarHBondContact O-N 2.97Å; K791-K794 PolarHBondContact O-N 3.45Å; K791-K794 VanDerWaalsContact O-N 3.1Å; K791-E795 VanDerWaalsContact CE-CD 3.43Å; K791-E795 WeakPolarHBondContact CE-OE1 3.29Å; K791-E795 HydrophobicContact CG-CG 4.4Å; K791-E795 IonicContact NZ-OE1 3.61Å; K791-E795 PolarHBondContact NZ-OE1 3.07Å; K791-E795 WeakPolarHBondContact O-CG 3.44Å; K791-E795 PolarHBondContact O-N 3.09Å
792	C	67.7	Low	58	Low	35 Å²	35	85.5 Å²	85.5	24%	0.236	48%	0.48	C	S	.	.	H	α-helix	trans	-59.1	-35.7	-178.9	-69	0	0	0	0	112.7	A761 A788 L789	A761-C792 HydrophobicContact CB-CB 4.12Å; A788-C792 PolarHBondContact O-N 3.07Å; A788-C792 PolarHBondContact O-SG 3.41Å; A788-C792 VanDerWaalsContact O-SG 3.39Å; L789-C792 PolarHBondContact O-N 2.86Å
793	H	63.8	Low	56.2	Low	51 Å²	51	89.4 Å²	89.4	24%	0.236	51%	0.506	C	S	.	.	H	α-helix	trans	-69.5	-46.9	173.7	-173.4	100.1	0	0	0	111.6	A764 L766 L789 K791 E795 K796 S797	A764-H793 PolarHBondContact O-ND1 2.88Å; L766-H793 HydrophobicContact CD1-CB 3.59Å; L789-H793 WeakPolarHBondContact O-CB 3.32Å; L789-H793 PolarHBondContact O-N 3.37Å; K791-H793 PolarHBondContact O-N 2.97Å; H793-E795 VanDerWaalsContact C-N 3.34Å; H793-E795 PolarHBondContact O-N 3.39Å; H793-K796 PolarHBondContact O-N 2.83Å; H793-K796 VanDerWaalsContact O-N 3.1Å; H793-S797 PolarHBondContact O-N 2.8Å; H793-S797 PolarHBondContact O-OG 2.57Å; H793-S797 VanDerWaalsContact O-OG 3.06Å
794	K	58.2	Low	54.1	Low	150 Å²	150	96.7 Å²	96.7	65%	0.652	52%	0.522	S	S	*	.	H	α-helix	trans	-61	-36	179	-85.1	-174.4	174.2	-174	0	114.3	A790 K791 K796 S797 S798	A790-K794 WeakPolarHBondContact O-CB 3.39Å; A790-K794 WeakPolarHBondContact O-CG 3.15Å; A790-K794 PolarHBondContact O-N 2.91Å; K791-K794 PolarHBondContact O-N 3.45Å; K791-K794 VanDerWaalsContact O-N 3.1Å; K794-K796 PolarHBondContact O-N 3.44Å; K794-K796 VanDerWaalsContact O-N 3.16Å; K794-S797 PolarHBondContact O-N 2.77Å; K794-S797 VanDerWaalsContact O-N 3.1Å; K794-S798 PolarHBondContact O-N 3.47Å; K794-S798 PolarHBondContact O-OG 3.44Å
795	E	55.6	Low	52	Low	123 Å²	123	97.9 Å²	97.9	58%	0.575	53%	0.53	S	S	*	.	H	α-helix	trans	-63.6	-16	178	-73.2	176	152.9	0	0	112.9	K791 H793	K791-E795 VanDerWaalsContact CE-CD 3.43Å; K791-E795 WeakPolarHBondContact CE-OE1 3.29Å; K791-E795 HydrophobicContact CG-CG 4.4Å; K791-E795 IonicContact NZ-OE1 3.61Å; K791-E795 PolarHBondContact NZ-OE1 3.07Å; K791-E795 WeakPolarHBondContact O-CG 3.44Å; K791-E795 PolarHBondContact O-N 3.09Å; H793-E795 VanDerWaalsContact C-N 3.34Å; H793-E795 PolarHBondContact O-N 3.39Å
796	K	50.7	Low	49.9	Very low	136 Å²	136	102.7 Å²	102.7	59%	0.591	56%	0.562	S	S	*	*	H	α-helix	trans	-98.4	-29.2	170.7	-155.9	-178.5	-175.4	-167.1	0	113.1	N762 H793 K794	N762-K796 PolarHBondContact O-NZ 2.83Å; H793-K796 PolarHBondContact O-N 2.83Å; H793-K796 VanDerWaalsContact O-N 3.1Å; K794-K796 PolarHBondContact O-N 3.44Å; K794-K796 VanDerWaalsContact O-N 3.16Å
797	S	43.5	Very low	47.8	Very low	77 Å²	77	104.7 Å²	104.7	54%	0.538	58%	0.576	S	S	.	*	H	α-helix	trans	-73.1	-26.5	-179.9	-43.5	0	0	0	0	114.2	H793 K794 G799	H793-S797 PolarHBondContact O-N 2.8Å; H793-S797 PolarHBondContact O-OG 2.57Å; H793-S797 VanDerWaalsContact O-OG 3.06Å; K794-S797 PolarHBondContact O-N 2.77Å; K794-S797 VanDerWaalsContact O-N 3.1Å; S797-G799 PolarHBondContact O-N 3.48Å
798	S	40	Very low	45.8	Very low	90 Å²	90	103.9 Å²	103.9	63%	0.629	58%	0.578	S	S	*	*			trans	-79.2	67.6	178.7	59.6	0	0	0	0	112	K794 Q800	K794-S798 PolarHBondContact O-N 3.47Å; K794-S798 PolarHBondContact O-OG 3.44Å; S798-Q800 VanDerWaalsContact C-N 3.3Å; S798-Q800 PolarHBondContact O-N 3.28Å
799	G	39.5	Very low	43.8	Very low	71 Å²	71	108.4 Å²	108.4	73%	0.732	60%	0.597	S	S	*	*			trans	-71.3	73.5	-179.6	0	0	0	0	0	113.8	S797	S797-G799 PolarHBondContact O-N 3.48Å
800	Q	30.3	Very low	41.8	Very low	175 Å²	175	111.4 Å²	111.4	82%	0.818	62%	0.618	S	S	*	*			trans	-93.3	94.2	167.9	-155.3	170.7	13.2	0	0	109.5	S798 D802	S798-Q800 VanDerWaalsContact C-N 3.3Å; S798-Q800 PolarHBondContact O-N 3.28Å; Q800-D802 PolarHBondContact O-N 2.93Å; Q800-D802 VanDerWaalsContact O-N 3.14Å
801	V	34.9	Very low	40.2	Very low	137 Å²	137	113.3 Å²	113.3	83%	0.83	62%	0.623	S	S	*	*			trans	-74.7	99.4	173.1	179.3	0	0	0	0	108.4
802	D	24.4	Very low	38.7	Very low	137 Å²	137	112 Å²	112	73%	0.733	62%	0.621	S	S	*	*			trans	-127.9	120.9	168.7	-145.5	-24.5	0	0	0	109.2	Q800 R804	Q800-D802 PolarHBondContact O-N 2.93Å; Q800-D802 VanDerWaalsContact O-N 3.14Å; D802-R804 PolarHBondContact O-N 3.38Å
803	T	31.1	Very low	37.6	Very low	131 Å²	131	117.1 Å²	117.1	80%	0.804	64%	0.641	S	S	*	*			trans	-78.9	96.4	-162.8	48	0	0	0	0	112.1
804	R	24.4	Very low	37	Very low	242 Å²	242	117.3 Å²	117.3	91%	0.913	65%	0.648	S	S	*	*			trans	-126.3	141	161.1	-71.2	-170.8	174.2	-176.5	-0.8	112	D802	D802-R804 PolarHBondContact O-N 3.38Å
805	S	24.6	Very low	36.8	Very low	100 Å²	100	112.2 Å²	112.2	70%	0.699	63%	0.628	S	S	*	*			trans	-57.6	145.8	-172.6	51.1	0	0	0	0	114.5	S807	S805-S807 PolarHBondContact O-N 2.91Å
806	P	27.4	Very low	36.9	Very low	114 Å²	114	109.6 Å²	109.6	74%	0.74	62%	0.616	S	S	*	*			trans	-69.6	115.1	-172.5	28.5	-35.9	0	0	0	113.4
807	S	27.1	Very low	37.9	Very low	74 Å²	74	107.5 Å²	107.5	52%	0.517	61%	0.608	S	S	.	*			trans	-167.1	150.5	159.5	50	0	0	0	0	107.6	S805	S805-S807 PolarHBondContact O-N 2.91Å
808	L	29.2	Very low	39.5	Very low	136 Å²	136	103.9 Å²	103.9	71%	0.712	58%	0.583	S	S	*	*	S	Bend	cis	-125.7	-14.7	33.6	-76.6	155.5	0	0	0	116.4
809	N	32.3	Very low	41	Very low	134 Å²	134	103.3 Å²	103.3	72%	0.717	57%	0.571	S	S	*	*	S	Bend	trans	-76	-35.2	-173.5	-72.7	1.8	0	0	0	113.9	N811 I812	N809-N811 PolarHBondContact O-N 2.81Å; N809-I812 PolarHBondContact O-N 2.86Å
810	S	32	Very low	42.5	Very low	64 Å²	64	103.4 Å²	103.4	45%	0.448	56%	0.557	S	S	.	*	H	α-helix	trans	-62.1	-24.4	176.9	51	0	0	0	0	113.8	I812 S814	S810-I812 PolarHBondContact O-N 2.82Å; S810-S814 PolarHBondContact O-N 3.33Å; S810-S814 PolarHBondContact O-OG 3.1Å
811	N	35.1	Very low	44.3	Very low	80 Å²	80	97 Å²	97	43%	0.428	53%	0.531	S	S	.	.	H	α-helix	trans	-75.5	-8	176.2	-76.9	-19.3	0	0	0	113.3	N809 S814 L815	N809-N811 PolarHBondContact O-N 2.81Å; N811-S814 WeakPolarHBondContact CA-OG 3.33Å; N811-L815 WeakPolarHBondContact O-CB 2.96Å; N811-L815 VanDerWaalsContact O-CD1 3.26Å; N811-L815 WeakPolarHBondContact O-CD1 3.42Å; N811-L815 WeakPolarHBondContact O-CG 3.23Å
812	I	41.7	Very low	46	Very low	95 Å²	95	93.7 Å²	93.7	49%	0.487	51%	0.514	S	S	.	.	H	α-helix	trans	-88	-47.5	174.8	-59.9	179.2	0	0	0	109.9	N809 S810 L815 E816	N809-I812 PolarHBondContact O-N 2.86Å; S810-I812 PolarHBondContact O-N 2.82Å; I812-L815 PolarHBondContact O-N 2.71Å; I812-E816 PolarHBondContact O-N 2.95Å
813	E	44.5	Very low	47.7	Very low	143 Å²	143	93.5 Å²	93.5	67%	0.668	51%	0.513	S	S	*	.	H	α-helix	trans	-67.2	-42.3	179.4	-65.3	-175.6	123.6	0	0	112.1	L815 E816 E817	E813-L815 PolarHBondContact O-N 3.43Å; E813-E816 WeakPolarHBondContact O-CA 3.38Å; E813-E816 PolarHBondContact O-N 3.05Å; E813-E817 PolarHBondContact O-N 3.32Å
814	S	50.3	Low	49.6	Very low	55 Å²	55	92.2 Å²	92.2	39%	0.385	50%	0.5	S	S	.	.	H	α-helix	trans	-67.1	-17.1	174.2	57.6	0	0	0	0	114.4	S810 N811 R826	S810-S814 PolarHBondContact O-N 3.33Å; S810-S814 PolarHBondContact O-OG 3.1Å; N811-S814 WeakPolarHBondContact CA-OG 3.33Å; S814-R826 PolarHBondContact O-NH2 2.65Å
815	L	53.2	Low	51.8	Low	42 Å²	42	86.6 Å²	86.6	22%	0.22	48%	0.482	C	S	.	.	H	α-helix	trans	-83	-15.6	168.6	-77.3	-179.6	0	0	0	113.3	N811 I812 E813 R826 V904 C907	N811-L815 WeakPolarHBondContact O-CB 2.96Å; N811-L815 VanDerWaalsContact O-CD1 3.26Å; N811-L815 WeakPolarHBondContact O-CD1 3.42Å; N811-L815 WeakPolarHBondContact O-CG 3.23Å; I812-L815 PolarHBondContact O-N 2.71Å; E813-L815 PolarHBondContact O-N 3.43Å; L815-R826 VanDerWaalsContact O-CD 3.25Å; L815-R826 WeakPolarHBondContact O-CD 3.47Å; L815-R826 VanDerWaalsContact O-CZ 3.24Å; L815-R826 PolarHBondContact O-NE 3.18Å; L815-R826 VanDerWaalsContact O-NE 3.09Å; L815-V904 HydrophobicContact CD1-CG1 4.49Å; L815-C907 HydrophobicContact CB-CB 4.4Å; L815-C907 HydrophobicContact CD2-CB 4.31Å; L815-C907 WeakPolarHBondContact CD2-O 3.11Å
816	E	59.2	Low	54.5	Low	69 Å²	69	82.6 Å²	82.6	32%	0.322	45%	0.451	S	S	.	.	H	α-helix	trans	-87.7	-22.6	172	-69.4	-164.5	177.3	0	0	113.3	I812 E813 K825 R826	I812-E816 PolarHBondContact O-N 2.95Å; E813-E816 WeakPolarHBondContact O-CA 3.38Å; E813-E816 PolarHBondContact O-N 3.05Å; E816-K825 HydrophobicContact CB-CD 4.27Å; E816-K825 CarbonylContact O-C 3.49Å; E816-K825 WeakPolarHBondContact O-CA 3.34Å; E816-K825 WeakPolarHBondContact O-CB 3.48Å; E816-K825 WeakPolarHBondContact OE2-CE 3.4Å; E816-K825 IonicContact OE2-NZ 3.58Å; E816-K825 PolarHBondContact OE2-NZ 2.99Å; E816-R826 PolarHBondContact O-N 3.33Å
817	E	71.8	Confident	56.8	Low	91 Å²	91	77.9 Å²	77.9	43%	0.425	42%	0.42	S	S	.	.	B	Isolated β-bridge	trans	-80.1	142	-178.9	-69.9	176.7	178.1	0	0	114.1	E813 M819 R826	E813-E817 PolarHBondContact O-N 3.32Å; E817-M819 PolarHBondContact O-N 2.77Å; E817-R826 VanDerWaalsContact O-CG 3.27Å; E817-R826 WeakPolarHBondContact O-CG 3.48Å; E817-R826 PolarHBondContact O-NE 2.75Å
818	C	75.7	Confident	59.2	Low	1 Å²	1	74.5 Å²	74.5	1%	0.007	40%	0.396	C	S	.	.			trans	-64.9	120.7	-180	176.2	0	0	0	0	112.1	V820 C821 S822 M824 C839	C818-V820 PolarHBondContact O-N 2.9Å; C818-C821 PolarHBondContact O-N 3.19Å; C818-S822 WeakPolarHBondContact O-CA 3.44Å; C818-S822 PolarHBondContact O-N 3.37Å; C818-M824 WeakPolarHBondContact CA-O 3.24Å; C818-M824 WeakPolarHBondContact CB-O 3.47Å; C818-M824 PolarHBondContact N-O 3.35Å; C818-C839 HydrophobicContact CB-CB 4.01Å; C818-C839 PolarHBondContact SG-N 2.89Å
819	M	71.5	Confident	61.5	Low	78 Å²	78	69.1 Å²	69.1	38%	0.384	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	31.5	-179.2	-54.3	-169.7	-64.7	0	0	114.8	E817 R826 A837 L850 I851	E817-M819 PolarHBondContact O-N 2.77Å; M819-R826 VanDerWaalsContact CG-NH2 3.3Å; M819-A837 HydrophobicContact CE-CB 3.74Å; M819-A837 PolarHBondContact N-O 2.92Å; M819-L850 HydrophobicContact CB-CD1 4.11Å; M819-L850 HydrophobicContact CE-CB 3.65Å; M819-L850 HydrophobicContact CE-CD1 4.36Å; M819-I851 HydrophobicContact CE-CD1 4.22Å; M819-I851 HydrophobicContact CE-CG1 3.64Å
820	V	71.4	Confident	63.7	Low	74 Å²	74	62.7 Å²	62.7	45%	0.448	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-140.1	-35.2	179.4	179.6	0	0	0	0	111.8	C818 T838 C842 V846 L850	C818-V820 PolarHBondContact O-N 2.9Å; V820-T838 HydrophobicContact CG2-CG2 3.68Å; V820-C842 HydrophobicContact CB-CB 3.86Å; V820-C842 HydrophobicContact CG1-CB 3.93Å; V820-C842 HydrophobicContact CG2-CB 4.28Å; V820-V846 HydrophobicContact CG2-CG2 4.23Å; V820-L850 HydrophobicContact CG2-CD1 3.65Å
821	C	68.8	Low	65.4	Low	39 Å²	39	60.3 Å²	60.3	26%	0.264	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.6	-16.9	178	70.7	0	0	0	0	114.3	C818 D823	C818-C821 PolarHBondContact O-N 3.19Å; C821-D823 WeakPolarHBondContact CB-OD2 3.38Å; C821-D823 PolarHBondContact O-N 3.27Å
822	S	70.8	Confident	67	Low	69 Å²	69	60 Å²	60	48%	0.483	32%	0.321	S	S	.	.	S	Bend	trans	59.9	-34.9	-168	-61.7	0	0	0	0	116.1	C818 M824	C818-S822 WeakPolarHBondContact O-CA 3.44Å; C818-S822 PolarHBondContact O-N 3.37Å; S822-M824 PolarHBondContact O-N 2.88Å
823	D	59.8	Low	68.3	Low	133 Å²	133	56.8 Å²	56.8	71%	0.711	31%	0.307	S	S	*	.	S	Bend	trans	-53.3	-32.5	-175.5	-45	-55.8	0	0	0	115.4	C821	C821-D823 WeakPolarHBondContact CB-OD2 3.38Å; C821-D823 PolarHBondContact O-N 3.27Å
824	M	70.4	Confident	69.2	Low	104 Å²	104	51.1 Å²	51.1	51%	0.512	29%	0.287	S	S	.	.	S	Bend	trans	-122.1	144.8	-167.7	-72.4	-72.3	121.1	0	0	110.9	C818 S822 C839	C818-M824 WeakPolarHBondContact CA-O 3.24Å; C818-M824 WeakPolarHBondContact CB-O 3.47Å; C818-M824 PolarHBondContact N-O 3.35Å; S822-M824 PolarHBondContact O-N 2.88Å; M824-C839 HydrophobicContact CB-CB 3.66Å
825	K	71.8	Confident	70.4	Confident	123 Å²	123	50.5 Å²	50.5	54%	0.535	28%	0.278	S	S	.	.	B	Isolated β-bridge	trans	-71.6	149.6	-180	-64.7	-165.9	174.8	-165.1	0	113.3	E816 D827 C839	E816-K825 HydrophobicContact CB-CD 4.27Å; E816-K825 CarbonylContact O-C 3.49Å; E816-K825 WeakPolarHBondContact O-CA 3.34Å; E816-K825 WeakPolarHBondContact O-CB 3.48Å; E816-K825 WeakPolarHBondContact OE2-CE 3.4Å; E816-K825 IonicContact OE2-NZ 3.58Å; E816-K825 PolarHBondContact OE2-NZ 2.99Å; K825-D827 PolarHBondContact O-N 2.86Å; K825-C839 WeakPolarHBondContact O-CA 3.44Å; K825-C839 VanDerWaalsContact O-CB 3.23Å; K825-C839 WeakPolarHBondContact O-CB 3.22Å
826	R	79.8	Confident	71.5	Confident	17 Å²	17	48.5 Å²	48.5	6%	0.064	27%	0.267	C	S	.	.			trans	-65	120.4	172.2	-51.1	178.9	-165.6	-178	8.5	109.2	S814 L815 E816 E817 M819 I836 T838 C907	S814-R826 PolarHBondContact O-NH2 2.65Å; L815-R826 VanDerWaalsContact O-CD 3.25Å; L815-R826 WeakPolarHBondContact O-CD 3.47Å; L815-R826 VanDerWaalsContact O-CZ 3.24Å; L815-R826 PolarHBondContact O-NE 3.18Å; L815-R826 VanDerWaalsContact O-NE 3.09Å; E816-R826 PolarHBondContact O-N 3.33Å; E817-R826 VanDerWaalsContact O-CG 3.27Å; E817-R826 WeakPolarHBondContact O-CG 3.48Å; E817-R826 PolarHBondContact O-NE 2.75Å; M819-R826 VanDerWaalsContact CG-NH2 3.3Å; R826-I836 HydrophobicContact CB-CG2 3.79Å; R826-I836 WeakPolarHBondContact CD-O 3.27Å; R826-T838 WeakPolarHBondContact CA-O 3.43Å; R826-C907 PolarHBondContact NH1-O 3.02Å
827	D	76.4	Confident	72.2	Confident	14 Å²	14	45.2 Å²	45.2	8%	0.075	25%	0.252	C	S	.	.			trans	-134.9	0.2	-178.9	72.9	-11.4	0	0	0	112.5	K825 T838 C839 S840 K861 I862	K825-D827 PolarHBondContact O-N 2.86Å; D827-T838 PolarHBondContact N-O 3.25Å; D827-T838 VanDerWaalsContact N-O 3.11Å; D827-C839 VanDerWaalsContact OD1-C 3.22Å; D827-C839 VanDerWaalsContact OD1-CA 3.27Å; D827-C839 WeakPolarHBondContact OD1-CA 3.41Å; D827-S840 WeakPolarHBondContact OD1-CA 3.25Å; D827-S840 WeakPolarHBondContact OD1-CB 3.43Å; D827-S840 PolarHBondContact OD1-N 3.33Å; D827-S840 PolarHBondContact OD1-OG 3.38Å; D827-S840 WeakPolarHBondContact OD2-CB 3.47Å; D827-S840 PolarHBondContact OD2-OG 3.05Å; D827-K861 CarbonylContact O-C 3.22Å; D827-K861 WeakPolarHBondContact OD2-CE 3.5Å; D827-I862 WeakPolarHBondContact O-CB 3.32Å; D827-I862 PolarHBondContact O-N 3.39Å
828	T	77.5	Confident	72.5	Confident	3 Å²	3	40.9 Å²	40.9	2%	0.018	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	123.9	-172.9	-55.2	0	0	0	0	111.9	F830 T838 S840 R859 T860	T828-F830 HydrophobicContact CG2-CD1 4.31Å; T828-F830 HydrophobicContact CG2-CE1 4.07Å; T828-T838 PolarHBondContact N-O 3.34Å; T828-T838 VanDerWaalsContact N-O 3.15Å; T828-S840 WeakPolarHBondContact OG1-CA 3.39Å; T828-S840 PolarHBondContact OG1-N 3.12Å; T828-R859 HydrophobicContact CG2-CB 4.06Å; T828-T860 WeakPolarHBondContact CA-O 3.27Å
829	L	78.3	Confident	72.8	Confident	23 Å²	23	41 Å²	41	12%	0.12	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	132.9	174.8	-171.3	71.7	0	0	0	110.4	G834 I836 R859 T860 I862 L876	L829-G834 WeakPolarHBondContact CD1-O 3.25Å; L829-I836 HydrophobicContact CD1-CD1 4.35Å; L829-I836 HydrophobicContact CD1-CG1 3.71Å; L829-R859 WeakPolarHBondContact O-CA 3.42Å; L829-T860 PolarHBondContact N-O 3.38Å; L829-T860 PolarHBondContact O-N 3.11Å; L829-I862 HydrophobicContact CB-CD1 4.37Å; L829-I862 HydrophobicContact CB-CG1 4.42Å; L829-L876 HydrophobicContact CD1-CD1 4.39Å; L829-L876 HydrophobicContact CD2-CD1 4.29Å
830	F	76.9	Confident	73.2	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	117.4	175.9	-67.3	-26.5	0	0	0	112.2	T828 C833 G834 H835 A837 T838 V846 C849 V856 S858 R859	T828-F830 HydrophobicContact CG2-CD1 4.31Å; T828-F830 HydrophobicContact CG2-CE1 4.07Å; F830-C833 PolarHBondContact O-N 3.18Å; F830-C833 PolarHBondContact O-SG 2.98Å; F830-G834 PolarHBondContact O-N 2.85Å; F830-H835 PolarHBondContact N-O 3.04Å; F830-A837 HydrophobicContact CD2-CB 4.19Å; F830-A837 HydrophobicContact CE2-CB 3.8Å; F830-T838 HydrophobicContact CZ-CG2 4.33Å; F830-T838 WeakPolarHBondContact CZ-OG1 3.45Å; F830-V846 HydrophobicContact CE2-CB 4.38Å; F830-V846 HydrophobicContact CE2-CG1 3.76Å; F830-V846 HydrophobicContact CZ-CB 3.97Å; F830-V846 HydrophobicContact CZ-CG1 3.86Å; F830-C849 HydrophobicContact CD2-CB 4.05Å; F830-V856 HydrophobicContact CB-CG1 4.01Å; F830-V856 HydrophobicContact CB-CG2 4.15Å; F830-V856 HydrophobicContact CD1-CG1 3.53Å; F830-V856 HydrophobicContact CD1-CG2 4.23Å; F830-V856 HydrophobicContact CD2-CG2 3.79Å; F830-V856 HydrophobicContact CE1-CG1 4.1Å; F830-V856 HydrophobicContact CE2-CG2 4.19Å; F830-V856 HydrophobicContact CG-CB 4.49Å; F830-V856 HydrophobicContact CG-CG1 3.79Å; F830-V856 HydrophobicContact CG-CG2 3.81Å; F830-S858 WeakPolarHBondContact CA-O 3.11Å; F830-R859 HydrophobicContact CD1-CG 3.96Å; F830-R859 HydrophobicContact CE1-CG 3.98Å
831	G	68.8	Low	73.6	Confident	13 Å²	13	42.2 Å²	42.2	13%	0.134	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	147	169.5	0	0	0	0	0	112.4	Q857 S858	G831-Q857 PolarHBondContact O-N 2.68Å; G831-S858 WeakPolarHBondContact CA-OG 3.49Å; G831-S858 PolarHBondContact N-O 2.9Å; G831-S858 PolarHBondContact O-N 3.16Å
832	P	68.9	Low	74.1	Confident	75 Å²	75	41 Å²	41	49%	0.487	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	cis	-80.6	-13.8	2.5	33.8	-37.6	0	0	0	114.1	G834 E854	P832-G834 VanDerWaalsContact C-N 3.28Å; P832-G834 PolarHBondContact O-N 3.49Å; P832-G834 VanDerWaalsContact O-N 3.09Å; P832-E854 VanDerWaalsContact CG-OE1 3.32Å; P832-E854 WeakPolarHBondContact CG-OE1 3.29Å
833	C	68.6	Low	74.6	Confident	26 Å²	26	38.2 Å²	38.2	18%	0.176	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-11.3	-163.1	77	0	0	0	0	117.3	F830 H835 C849 C852 E854	F830-C833 PolarHBondContact O-N 3.18Å; F830-C833 PolarHBondContact O-SG 2.98Å; C833-H835 PolarHBondContact O-N 2.84Å; C833-H835 PolarHBondContact O-ND1 3.14Å; C833-C849 VanDerWaalsContact SG-SG 3.7Å; C833-C852 VanDerWaalsContact CB-SG 3.51Å; C833-E854 HydrophobicContact CB-CB 4.37Å; C833-E854 WeakPolarHBondContact CB-OE2 3.49Å
834	G	63.8	Low	75.6	Confident	24 Å²	24	36 Å²	36	25%	0.247	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	68	14.2	177.3	0	0	0	0	0	115.9	L829 F830 P832	L829-G834 WeakPolarHBondContact CD1-O 3.25Å; F830-G834 PolarHBondContact O-N 2.85Å; P832-G834 VanDerWaalsContact C-N 3.28Å; P832-G834 PolarHBondContact O-N 3.49Å; P832-G834 VanDerWaalsContact O-N 3.09Å
835	H	74.9	Confident	76.1	Confident	42 Å²	42	41 Å²	41	19%	0.194	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	149.7	-177.4	-74	85.2	0	0	0	113	F830 C833 I851 C906	F830-H835 PolarHBondContact N-O 3.04Å; C833-H835 PolarHBondContact O-N 2.84Å; C833-H835 PolarHBondContact O-ND1 3.14Å; H835-I851 HydrophobicContact CB-CD1 4.25Å; H835-C906 WeakPolarHBondContact CA-O 3.39Å
836	I	76.8	Confident	76.4	Confident	1 Å²	1	35.7 Å²	35.7	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	106.6	179.4	-57.4	167	0	0	0	108.1	R826 L829 I862 F903 C906	R826-I836 HydrophobicContact CB-CG2 3.79Å; R826-I836 WeakPolarHBondContact CD-O 3.27Å; L829-I836 HydrophobicContact CD1-CD1 4.35Å; L829-I836 HydrophobicContact CD1-CG1 3.71Å; I836-I862 HydrophobicContact CD1-CD1 3.38Å; I836-I862 HydrophobicContact CG1-CD1 3.8Å; I836-I862 HydrophobicContact CG2-CD1 4.44Å; I836-F903 HydrophobicContact CD1-CD2 3.67Å; I836-F903 HydrophobicContact CD1-CE2 3.64Å; I836-F903 HydrophobicContact CD1-CZ 4.48Å; I836-F903 HydrophobicContact CG2-CE2 4.19Å; I836-F903 HydrophobicContact CG2-CZ 4.21Å; I836-C906 HydrophobicContact CD1-CB 3.61Å; I836-C906 HydrophobicContact CG1-CB 3.99Å; I836-C906 PolarHBondContact N-O 3.12Å
837	A	72.6	Confident	76.5	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	-25.8	-163.9	0	0	0	0	0	115.2	M819 F830 L850 I851	M819-A837 HydrophobicContact CE-CB 3.74Å; M819-A837 PolarHBondContact N-O 2.92Å; F830-A837 HydrophobicContact CD2-CB 4.19Å; F830-A837 HydrophobicContact CE2-CB 3.8Å; A837-L850 HydrophobicContact CB-CB 4.39Å; A837-I851 HydrophobicContact CB-CD1 4.42Å; A837-I851 HydrophobicContact CB-CG1 4.38Å
838	T	78.6	Confident	76.7	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	162.1	-174.3	61	0	0	0	0	112.4	V820 R826 D827 T828 F830 C842 S843 V846 L850	V820-T838 HydrophobicContact CG2-CG2 3.68Å; R826-T838 WeakPolarHBondContact CA-O 3.43Å; D827-T838 PolarHBondContact N-O 3.25Å; D827-T838 VanDerWaalsContact N-O 3.11Å; T828-T838 PolarHBondContact N-O 3.34Å; T828-T838 VanDerWaalsContact N-O 3.15Å; F830-T838 HydrophobicContact CZ-CG2 4.33Å; F830-T838 WeakPolarHBondContact CZ-OG1 3.45Å; T838-C842 HydrophobicContact CG2-CB 4.5Å; T838-S843 WeakPolarHBondContact OG1-CA 3.34Å; T838-V846 HydrophobicContact CG2-CG2 3.94Å; T838-L850 HydrophobicContact CG2-CD1 3.85Å
839	C	83.1	Confident	76.7	Confident	4 Å²	4	48.7 Å²	48.7	3%	0.027	25%	0.253	C	S	.	.			trans	-70.3	161.9	160.4	71	0	0	0	0	111	C818 M824 K825 D827 L841 C842 S843	C818-C839 HydrophobicContact CB-CB 4.01Å; C818-C839 PolarHBondContact SG-N 2.89Å; M824-C839 HydrophobicContact CB-CB 3.66Å; K825-C839 WeakPolarHBondContact O-CA 3.44Å; K825-C839 VanDerWaalsContact O-CB 3.23Å; K825-C839 WeakPolarHBondContact O-CB 3.22Å; D827-C839 VanDerWaalsContact OD1-C 3.22Å; D827-C839 VanDerWaalsContact OD1-CA 3.27Å; D827-C839 WeakPolarHBondContact OD1-CA 3.41Å; C839-L841 VanDerWaalsContact C-N 3.29Å; C839-L841 PolarHBondContact O-N 3.21Å; C839-C842 PolarHBondContact O-N 2.77Å; C839-C842 VanDerWaalsContact O-N 3.16Å; C839-S843 PolarHBondContact O-N 3.42Å
840	S	79.1	Confident	76.7	Confident	40 Å²	40	50.2 Å²	50.2	28%	0.28	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-33.9	-176	35.1	0	0	0	0	112.6	D827 T828 S843 P844	D827-S840 WeakPolarHBondContact OD1-CA 3.25Å; D827-S840 WeakPolarHBondContact OD1-CB 3.43Å; D827-S840 PolarHBondContact OD1-N 3.33Å; D827-S840 PolarHBondContact OD1-OG 3.38Å; D827-S840 WeakPolarHBondContact OD2-CB 3.47Å; D827-S840 PolarHBondContact OD2-OG 3.05Å; T828-S840 WeakPolarHBondContact OG1-CA 3.39Å; T828-S840 PolarHBondContact OG1-N 3.12Å; S840-S843 PolarHBondContact O-OG 3.25Å; S840-P844 WeakPolarHBondContact O-CD 3.49Å
841	L	80.1	Confident	76.6	Confident	137 Å²	137	52.8 Å²	52.8	72%	0.717	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-36.7	175.3	-60.1	177.2	0	0	0	113.6	C839 P844	C839-L841 VanDerWaalsContact C-N 3.29Å; C839-L841 PolarHBondContact O-N 3.21Å; L841-P844 WeakPolarHBondContact O-CD 3.47Å
842	C	78.4	Confident	76.8	Confident	13 Å²	13	54.6 Å²	54.6	9%	0.088	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-24.6	178.1	-68.3	0	0	0	0	112.9	V820 T838 C839 R845	V820-C842 HydrophobicContact CB-CB 3.86Å; V820-C842 HydrophobicContact CG1-CB 3.93Å; V820-C842 HydrophobicContact CG2-CB 4.28Å; T838-C842 HydrophobicContact CG2-CB 4.5Å; C839-C842 PolarHBondContact O-N 2.77Å; C839-C842 VanDerWaalsContact O-N 3.16Å; C842-R845 PolarHBondContact O-N 2.8Å; C842-R845 VanDerWaalsContact O-N 3.12Å
843	S	82.4	Confident	77.2	Confident	10 Å²	10	57.7 Å²	57.7	7%	0.07	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-52.3	-34.6	-176.2	80.1	0	0	0	0	116.7	T838 C839 S840 R845 V846 R859	T838-S843 WeakPolarHBondContact OG1-CA 3.34Å; C839-S843 PolarHBondContact O-N 3.42Å; S840-S843 PolarHBondContact O-OG 3.25Å; S843-R845 VanDerWaalsContact C-N 3.28Å; S843-R845 PolarHBondContact O-N 3.22Å; S843-V846 PolarHBondContact O-N 3.21Å; S843-R859 WeakPolarHBondContact O-CD 3.39Å; S843-R859 PolarHBondContact O-NE 3.15Å
844	P	81.2	Confident	77.8	Confident	88 Å²	88	60.9 Å²	60.9	57%	0.571	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-71.6	-24.8	-178.7	-18	34.1	0	0	0	112.5	S840 L841 V846	S840-P844 WeakPolarHBondContact O-CD 3.49Å; L841-P844 WeakPolarHBondContact O-CD 3.47Å; P844-V846 VanDerWaalsContact C-N 3.28Å; P844-V846 PolarHBondContact O-N 3.3Å
845	R	79.6	Confident	78.6	Confident	209 Å²	209	66 Å²	66	79%	0.789	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-77.1	-15.8	180	-58.9	-177.5	-179.5	-179.9	-0.1	112.4	C842 S843	C842-R845 PolarHBondContact O-N 2.8Å; C842-R845 VanDerWaalsContact O-N 3.12Å; S843-R845 VanDerWaalsContact C-N 3.28Å; S843-R845 PolarHBondContact O-N 3.22Å
846	V	79.7	Confident	78.9	Confident	11 Å²	11	64.5 Å²	64.5	7%	0.067	31%	0.314	C	S	.	.			trans	-94.3	109.5	-175.9	179.6	0	0	0	0	111.2	V820 F830 T838 S843 P844 K848 L850 R859	V820-V846 HydrophobicContact CG2-CG2 4.23Å; F830-V846 HydrophobicContact CE2-CB 4.38Å; F830-V846 HydrophobicContact CE2-CG1 3.76Å; F830-V846 HydrophobicContact CZ-CB 3.97Å; F830-V846 HydrophobicContact CZ-CG1 3.86Å; T838-V846 HydrophobicContact CG2-CG2 3.94Å; S843-V846 PolarHBondContact O-N 3.21Å; P844-V846 VanDerWaalsContact C-N 3.28Å; P844-V846 PolarHBondContact O-N 3.3Å; V846-K848 WeakPolarHBondContact CG1-O 3.46Å; V846-L850 HydrophobicContact CG1-CD2 4.19Å; V846-L850 HydrophobicContact CG1-CG 4.04Å; V846-L850 HydrophobicContact CG2-CD1 4.28Å; V846-L850 HydrophobicContact CG2-CG 4.43Å; V846-R859 PolarHBondContact O-NH2 2.91Å
847	K	81.2	Confident	78.9	Confident	174 Å²	174	71.6 Å²	71.6	76%	0.757	35%	0.347	S	S	*	.	S	Bend	trans	-89.4	-24.4	178.3	-64.5	-175.3	179.3	-179.1	0	114.2	V856	K847-V856 PolarHBondContact O-N 2.74Å
848	K	80.6	Confident	79	Confident	131 Å²	131	74.3 Å²	74.3	57%	0.57	37%	0.366	S	S	*	.	B	Isolated β-bridge	trans	-129.7	137.2	175.1	-72.1	-175.9	174.3	-170.5	0	109.4	V846 L850 K853 E854	V846-K848 WeakPolarHBondContact CG1-O 3.46Å; K848-L850 PolarHBondContact O-N 3.09Å; K848-K853 WeakPolarHBondContact CD-O 3.46Å; K848-E854 CarbonylContact C-O 3.56Å; K848-E854 VanDerWaalsContact CA-O 3.25Å; K848-E854 WeakPolarHBondContact CA-O 3.46Å
849	C	77.8	Confident	79.1	Confident	1 Å²	1	78.8 Å²	78.8	1%	0.007	38%	0.383	C	S	.	.			trans	-56.1	127.9	-177.2	175.5	0	0	0	0	110.3	F830 C833 I851 C852 K853 E854 V856	F830-C849 HydrophobicContact CD2-CB 4.05Å; C833-C849 VanDerWaalsContact SG-SG 3.7Å; C849-I851 PolarHBondContact O-N 2.88Å; C849-C852 VanDerWaalsContact CB-SG 3.58Å; C849-K853 WeakPolarHBondContact O-CA 3.23Å; C849-K853 PolarHBondContact O-N 3.29Å; C849-E854 PolarHBondContact N-O 2.75Å; C849-V856 HydrophobicContact CB-CG2 4.29Å
850	L	78	Confident	78.6	Confident	55 Å²	55	82.3 Å²	82.3	29%	0.288	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-24.4	-175	-61.5	177.9	0	0	0	112.7	M819 V820 A837 T838 V846 K848 K853	M819-L850 HydrophobicContact CB-CD1 4.11Å; M819-L850 HydrophobicContact CE-CB 3.65Å; M819-L850 HydrophobicContact CE-CD1 4.36Å; V820-L850 HydrophobicContact CG2-CD1 3.65Å; A837-L850 HydrophobicContact CB-CB 4.39Å; T838-L850 HydrophobicContact CG2-CD1 3.85Å; V846-L850 HydrophobicContact CG1-CD2 4.19Å; V846-L850 HydrophobicContact CG1-CG 4.04Å; V846-L850 HydrophobicContact CG2-CD1 4.28Å; V846-L850 HydrophobicContact CG2-CG 4.43Å; K848-L850 PolarHBondContact O-N 3.09Å; L850-K853 PolarHBondContact O-NZ 3.33Å
851	I	74.8	Confident	78.4	Confident	54 Å²	54	86 Å²	86	28%	0.277	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-66.2	178.6	-55.5	179.1	0	0	0	110.6	M819 H835 A837 C849 C907	M819-I851 HydrophobicContact CE-CD1 4.22Å; M819-I851 HydrophobicContact CE-CG1 3.64Å; H835-I851 HydrophobicContact CB-CD1 4.25Å; A837-I851 HydrophobicContact CB-CD1 4.42Å; A837-I851 HydrophobicContact CB-CG1 4.38Å; C849-I851 PolarHBondContact O-N 2.88Å; I851-C907 WeakPolarHBondContact CD1-O 3.47Å
852	C	73.7	Confident	77.8	Confident	52 Å²	52	80.6 Å²	80.6	35%	0.351	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-2	-172.6	64.3	0	0	0	0	115.7	C833 C849 E854	C833-C852 VanDerWaalsContact CB-SG 3.51Å; C849-C852 VanDerWaalsContact CB-SG 3.58Å; C852-E854 PolarHBondContact O-N 3.25Å
853	K	76.8	Confident	76.7	Confident	139 Å²	139	85.7 Å²	85.7	60%	0.604	41%	0.409	S	S	*	.			trans	61.4	3	-177.9	-45.4	-51.7	-175.3	-168.6	0	116.5	K848 C849 L850	K848-K853 WeakPolarHBondContact CD-O 3.46Å; C849-K853 WeakPolarHBondContact O-CA 3.23Å; C849-K853 PolarHBondContact O-N 3.29Å; L850-K853 PolarHBondContact O-NZ 3.33Å
854	E	81.4	Confident	75.4	Confident	93 Å²	93	90.9 Å²	90.9	44%	0.435	43%	0.432	S	S	.	.			trans	-63.5	153.1	172.8	-167.7	171.6	-168.6	0	0	112.3	P832 C833 K848 C849 C852	P832-E854 VanDerWaalsContact CG-OE1 3.32Å; P832-E854 WeakPolarHBondContact CG-OE1 3.29Å; C833-E854 HydrophobicContact CB-CB 4.37Å; C833-E854 WeakPolarHBondContact CB-OE2 3.49Å; K848-E854 CarbonylContact C-O 3.56Å; K848-E854 VanDerWaalsContact CA-O 3.25Å; K848-E854 WeakPolarHBondContact CA-O 3.46Å; C849-E854 PolarHBondContact N-O 2.75Å; C852-E854 PolarHBondContact O-N 3.25Å
855	Q	79	Confident	73.8	Confident	131 Å²	131	87.3 Å²	87.3	61%	0.612	41%	0.409	S	S	*	.	B	Isolated β-bridge	trans	-73.9	129.5	-177.6	-175.8	164.6	-27.8	0	0	111.8	Q857	Q855-Q857 PolarHBondContact O-N 2.96Å
856	V	82.6	Confident	72.1	Confident	12 Å²	12	82.2 Å²	82.2	7%	0.073	40%	0.401	C	S	.	.			trans	-81.4	105.7	-176.5	-177.9	0	0	0	0	110.1	F830 K847 C849 S858 R859	F830-V856 HydrophobicContact CB-CG1 4.01Å; F830-V856 HydrophobicContact CB-CG2 4.15Å; F830-V856 HydrophobicContact CD1-CG1 3.53Å; F830-V856 HydrophobicContact CD1-CG2 4.23Å; F830-V856 HydrophobicContact CD2-CG2 3.79Å; F830-V856 HydrophobicContact CE1-CG1 4.1Å; F830-V856 HydrophobicContact CE2-CG2 4.19Å; F830-V856 HydrophobicContact CG-CB 4.49Å; F830-V856 HydrophobicContact CG-CG1 3.79Å; F830-V856 HydrophobicContact CG-CG2 3.81Å; K847-V856 PolarHBondContact O-N 2.74Å; C849-V856 HydrophobicContact CB-CG2 4.29Å; V856-S858 WeakPolarHBondContact CG1-O 3.27Å; V856-R859 HydrophobicContact CG1-CG 3.76Å
857	Q	76.1	Confident	70.4	Confident	150 Å²	150	85.3 Å²	85.3	70%	0.701	42%	0.42	S	S	*	.			trans	-87.9	-43.6	180	-60.4	-178.4	13	0	0	111.6	G831 Q855	G831-Q857 PolarHBondContact O-N 2.68Å; Q855-Q857 PolarHBondContact O-N 2.96Å
858	S	74.6	Confident	68.5	Low	57 Å²	57	80.2 Å²	80.2	40%	0.399	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	155	176	65	0	0	0	0	112.2	F830 G831 V856	F830-S858 WeakPolarHBondContact CA-O 3.11Å; G831-S858 WeakPolarHBondContact CA-OG 3.49Å; G831-S858 PolarHBondContact N-O 2.9Å; G831-S858 PolarHBondContact O-N 3.16Å; V856-S858 WeakPolarHBondContact CG1-O 3.27Å
859	R	81.3	Confident	66.8	Low	94 Å²	94	78.1 Å²	78.1	36%	0.355	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	113.6	179.2	-65.7	171.1	-172.1	66.7	8.9	107.8	T828 L829 F830 S843 V846 V856	T828-R859 HydrophobicContact CG2-CB 4.06Å; L829-R859 WeakPolarHBondContact O-CA 3.42Å; F830-R859 HydrophobicContact CD1-CG 3.96Å; F830-R859 HydrophobicContact CE1-CG 3.98Å; S843-R859 WeakPolarHBondContact O-CD 3.39Å; S843-R859 PolarHBondContact O-NE 3.15Å; V846-R859 PolarHBondContact O-NH2 2.91Å; V856-R859 HydrophobicContact CG1-CG 3.76Å
860	T	73.1	Confident	64.9	Low	77 Å²	77	85.2 Å²	85.2	47%	0.472	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	126.2	-178.6	-50.6	0	0	0	0	109.2	T828 L829	T828-T860 WeakPolarHBondContact CA-O 3.27Å; L829-T860 PolarHBondContact N-O 3.38Å; L829-T860 PolarHBondContact O-N 3.11Å
861	K	74.7	Confident	63.5	Low	119 Å²	119	90 Å²	90	52%	0.517	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	137.4	174.3	-171.1	-177.2	176.7	-169.9	0	109.5	D827	D827-K861 CarbonylContact O-C 3.22Å; D827-K861 WeakPolarHBondContact OD2-CE 3.5Å
862	I	66.7	Low	62.5	Low	23 Å²	23	92.8 Å²	92.8	12%	0.118	47%	0.474	C	S	.	.			trans	-91.7	115.5	174.9	-59.3	172.8	0	0	0	107.7	D827 L829 I836 F903	D827-I862 WeakPolarHBondContact O-CB 3.32Å; D827-I862 PolarHBondContact O-N 3.39Å; L829-I862 HydrophobicContact CB-CD1 4.37Å; L829-I862 HydrophobicContact CB-CG1 4.42Å; I836-I862 HydrophobicContact CD1-CD1 3.38Å; I836-I862 HydrophobicContact CG1-CD1 3.8Å; I836-I862 HydrophobicContact CG2-CD1 4.44Å; I862-F903 HydrophobicContact CD1-CE2 4.49Å
863	E	56.3	Low	61.5	Low	120 Å²	120	90.9 Å²	90.9	56%	0.561	46%	0.461	S	S	*	.			trans	-88.3	-177.1	-177.8	-58.4	-171.9	142	0	0	111.6
864	E	54.8	Low	60.4	Low	118 Å²	118	87.4 Å²	87.4	55%	0.551	46%	0.459	S	S	*	.	B	Isolated β-bridge	trans	-81.4	160.5	-177.6	-69.5	173.7	168.7	0	0	111.2	V866 K872	E864-V866 PolarHBondContact O-N 2.84Å; E864-K872 HydrophobicContact CG-CG 4.09Å
865	C	47.7	Very low	59.3	Low	14 Å²	14	84.9 Å²	84.9	10%	0.095	45%	0.45	C	S	.	.			trans	-72.5	102.3	-172.9	-169.9	0	0	0	0	110.9	V867 C868 S869 K871	C865-V867 PolarHBondContact O-N 3.33Å; C865-C868 PolarHBondContact O-N 2.75Å; C865-S869 PolarHBondContact O-N 3.48Å; C865-K871 WeakPolarHBondContact CB-O 3.24Å; C865-K871 PolarHBondContact N-O 3.46Å
866	V	44.1	Very low	58.4	Low	101 Å²	101	79.7 Å²	79.7	61%	0.612	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.1	-8	-178.8	-149	0	0	0	0	115.5	E864	E864-V866 PolarHBondContact O-N 2.84Å
867	V	42.4	Very low	57.5	Low	77 Å²	77	79.1 Å²	79.1	47%	0.467	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-19.6	179.3	-176.8	0	0	0	0	112.9	C865 M887	C865-V867 PolarHBondContact O-N 3.33Å; V867-M887 HydrophobicContact CG2-CE 4.44Å
868	C	42.2	Very low	56.5	Low	67 Å²	67	75.7 Å²	75.7	45%	0.453	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-144.8	-12.6	-177.6	58.4	0	0	0	0	116.3	C865 D870	C865-C868 PolarHBondContact O-N 2.75Å; C868-D870 PolarHBondContact O-N 2.95Å
869	S	44	Very low	55.4	Low	87 Å²	87	77.4 Å²	77.4	61%	0.608	42%	0.416	S	S	*	.	S	Bend	trans	60.8	-28.8	-179.8	-52.8	0	0	0	0	117	C865 K871	C865-S869 PolarHBondContact O-N 3.48Å; S869-K871 VanDerWaalsContact C-N 3.26Å; S869-K871 PolarHBondContact O-N 3.29Å
870	D	39.7	Very low	54	Low	149 Å²	149	74.6 Å²	74.6	80%	0.797	41%	0.41	S	S	*	.	S	Bend	trans	-71.2	-9.7	-175.6	-71.7	-22.4	0	0	0	115.2	C868	C868-D870 PolarHBondContact O-N 2.95Å
871	K	47.3	Very low	53.1	Low	156 Å²	156	72.1 Å²	72.1	68%	0.678	40%	0.4	S	S	*	.	S	Bend	trans	-145.9	141.4	-172.6	-62.8	-172	-178.7	-177.7	0	113.2	C865 S869	C865-K871 WeakPolarHBondContact CB-O 3.24Å; C865-K871 PolarHBondContact N-O 3.46Å; S869-K871 VanDerWaalsContact C-N 3.26Å; S869-K871 PolarHBondContact O-N 3.29Å
872	K	53.3	Low	52.3	Low	113 Å²	113	69.3 Å²	69.3	49%	0.491	39%	0.389	S	S	.	.	B	Isolated β-bridge	trans	-68.2	155.1	166.5	-72.5	-163.6	174.8	-161.8	0	111.9	E864 A874	E864-K872 HydrophobicContact CG-CG 4.09Å; K872-A874 PolarHBondContact O-N 2.79Å
873	A	54.6	Low	51.6	Low	11 Å²	11	69.7 Å²	69.7	9%	0.091	39%	0.393	C	S	.	.			trans	-81.1	120.1	-169.9	0	0	0	0	0	113.4	C883	A873-C883 HydrophobicContact CB-CB 3.59Å; A873-C883 WeakPolarHBondContact CB-SG 3.48Å
874	A	51.7	Low	51.4	Low	66 Å²	66	64.4 Å²	64.4	55%	0.545	37%	0.37	S	S	.	.			trans	-95.3	0.6	-171.5	0	0	0	0	0	115.6	K872 F903	K872-A874 PolarHBondContact O-N 2.79Å; A874-F903 WeakPolarHBondContact O-CB 3.43Å; A874-F903 PolarHBondContact O-N 3.07Å
875	V	58.5	Low	51	Low	41 Å²	41	61.8 Å²	61.8	25%	0.248	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	123.9	-174.6	-178.7	0	0	0	0	110.6	C883 R900 T901	V875-C883 VanDerWaalsContact O-CA 3.26Å; V875-C883 WeakPolarHBondContact O-CA 3.45Å; V875-C883 WeakPolarHBondContact O-CB 3.37Å; V875-R900 HydrophobicContact CG1-CB 3.78Å; V875-R900 HydrophobicContact CG1-CG 4.35Å; V875-T901 WeakPolarHBondContact CA-O 3.43Å
876	L	61.8	Low	51	Low	21 Å²	21	66.1 Å²	66.1	11%	0.11	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	142.9	173.5	-149.7	85.6	0	0	0	110.8	L829 G881 H882 R900 T901	L829-L876 HydrophobicContact CD1-CD1 4.39Å; L829-L876 HydrophobicContact CD2-CD1 4.29Å; L876-G881 WeakPolarHBondContact CD1-O 3.34Å; L876-H882 CarbonylContact C-O 3.58Å; L876-R900 CarbonylContact O-C 3.58Å; L876-R900 WeakPolarHBondContact O-CA 3.32Å; L876-T901 PolarHBondContact N-O 3.39Å; L876-T901 PolarHBondContact O-N 2.85Å
877	F	62.7	Low	51.4	Low	1 Å²	1	62.4 Å²	62.4	0%	0.004	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	138.3	173.3	-65.3	-18.8	0	0	0	110.8	G881 H882 A884 C890 V897 R899 R900	F877-G881 WeakPolarHBondContact O-CA 3.34Å; F877-G881 PolarHBondContact O-N 3.47Å; F877-H882 WeakPolarHBondContact CB-O 3.32Å; F877-H882 PolarHBondContact N-O 2.95Å; F877-A884 WeakPolarHBondContact CE1-O 3.37Å; F877-A884 HydrophobicContact CE2-CB 3.83Å; F877-A884 HydrophobicContact CZ-CB 3.72Å; F877-A884 WeakPolarHBondContact CZ-O 3.25Å; F877-C890 HydrophobicContact CD2-CB 4.45Å; F877-V897 HydrophobicContact CB-CG1 4.05Å; F877-V897 HydrophobicContact CB-CG2 4.36Å; F877-V897 HydrophobicContact CD1-CG1 3.55Å; F877-V897 HydrophobicContact CD1-CG2 4.33Å; F877-V897 HydrophobicContact CD2-CG1 4.22Å; F877-V897 HydrophobicContact CD2-CG2 3.5Å; F877-V897 VanDerWaalsContact CD2-CG2 3.5Å; F877-V897 HydrophobicContact CE1-CG1 3.91Å; F877-V897 HydrophobicContact CE1-CG2 4.46Å; F877-V897 HydrophobicContact CE2-CG2 3.65Å; F877-V897 HydrophobicContact CG-CB 4.44Å; F877-V897 HydrophobicContact CG-CG1 3.7Å; F877-V897 HydrophobicContact CG-CG2 3.84Å; F877-V897 HydrophobicContact CZ-CG1 4.37Å; F877-V897 HydrophobicContact CZ-CG2 4.12Å; F877-R899 WeakPolarHBondContact CA-O 3.48Å; F877-R900 HydrophobicContact CD1-CG 3.97Å; F877-R900 HydrophobicContact CE1-CG 4Å
878	Q	54.4	Low	51.7	Low	78 Å²	78	67.1 Å²	67.1	36%	0.364	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	147.2	167	-64.3	-172.8	-50	0	0	110.2	E898 R899	Q878-E898 PolarHBondContact O-N 3.11Å; Q878-R899 HydrophobicContact CB-CB 4.24Å; Q878-R899 PolarHBondContact N-O 3.09Å
879	P	51.5	Low	52.3	Low	92 Å²	92	67 Å²	67	60%	0.597	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	cis	-80.1	-14.5	5	31	-36.1	0	0	0	115.4	G881	P879-G881 PolarHBondContact O-N 2.93Å
880	C	52.6	Low	52.7	Low	35 Å²	35	63 Å²	63	24%	0.236	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-13.5	-161.1	66.6	0	0	0	0	118.5	H882 C893	C880-H882 VanDerWaalsContact C-N 3.26Å; C880-H882 PolarHBondContact O-CE1 2.88Å; C880-H882 PolarHBondContact O-N 3.27Å; C880-H882 PolarHBondContact O-ND1 3.25Å; C880-C893 WeakPolarHBondContact CB-SG 3.44Å
881	G	54.4	Low	53.3	Low	25 Å²	25	57.6 Å²	57.6	26%	0.258	31%	0.313	S	S	.	.			trans	78.6	-5.9	-179.4	0	0	0	0	0	116.2	L876 F877 P879	L876-G881 WeakPolarHBondContact CD1-O 3.34Å; F877-G881 WeakPolarHBondContact O-CA 3.34Å; F877-G881 PolarHBondContact O-N 3.47Å; P879-G881 PolarHBondContact O-N 2.93Å
882	H	58.1	Low	53.5	Low	60 Å²	60	55.2 Å²	55.2	28%	0.278	30%	0.304	S	S	.	.			trans	-81.5	-178.3	178.3	-55.5	114.7	0	0	0	112.4	L876 F877 C880 C890 Q892	L876-H882 CarbonylContact C-O 3.58Å; F877-H882 WeakPolarHBondContact CB-O 3.32Å; F877-H882 PolarHBondContact N-O 2.95Å; C880-H882 VanDerWaalsContact C-N 3.26Å; C880-H882 PolarHBondContact O-CE1 2.88Å; C880-H882 PolarHBondContact O-N 3.27Å; C880-H882 PolarHBondContact O-ND1 3.25Å; H882-C890 WeakPolarHBondContact CB-SG 3.46Å; H882-Q892 PolarHBondContact CD2-OE1 3.33Å
883	C	51.8	Low	53.4	Low	32 Å²	32	52.4 Å²	52.4	22%	0.216	30%	0.298	C	S	.	.			trans	-151.3	128.3	-162.9	51.9	0	0	0	0	115.4	A873 V875	A873-C883 HydrophobicContact CB-CB 3.59Å; A873-C883 WeakPolarHBondContact CB-SG 3.48Å; V875-C883 VanDerWaalsContact O-CA 3.26Å; V875-C883 WeakPolarHBondContact O-CA 3.45Å; V875-C883 WeakPolarHBondContact O-CB 3.37Å
884	A	52	Low	53.4	Low	9 Å²	9	57.5 Å²	57.5	7%	0.074	32%	0.315	C	S	.	.			trans	-158.8	165.3	168.9	0	0	0	0	0	110.9	F877 M887	F877-A884 WeakPolarHBondContact CE1-O 3.37Å; F877-A884 HydrophobicContact CE2-CB 3.83Å; F877-A884 HydrophobicContact CZ-CB 3.72Å; F877-A884 WeakPolarHBondContact CZ-O 3.25Å; A884-M887 HydrophobicContact CB-CG 4.29Å
885	S	45.6	Very low	53.5	Low	62 Å²	62	56.1 Å²	56.1	43%	0.434	30%	0.304	S	S	.	.	S	Bend	trans	-87.6	-32.3	-175	55.6	0	0	0	0	115	R900	S885-R900 PolarHBondContact O-NH1 3.06Å
886	L	49.3	Very low	53.4	Low	106 Å²	106	58.8 Å²	58.8	56%	0.555	32%	0.32	S	S	*	.	S	Bend	trans	-128.4	-5.4	-162.5	-77.3	162.4	0	0	0	116.2
887	M	51.6	Low	53.5	Low	23 Å²	23	58.9 Å²	58.9	11%	0.113	32%	0.322	C	S	.	.			trans	-85.3	149	-169.6	-64.1	-77.5	-177.8	0	0	115.2	V867 A884 K889 V891 R900 P984 L987	V867-M887 HydrophobicContact CG2-CE 4.44Å; A884-M887 HydrophobicContact CB-CG 4.29Å; M887-K889 WeakPolarHBondContact CB-O 3.31Å; M887-V891 HydrophobicContact CE-CG2 4.08Å; M887-V891 HydrophobicContact CG-CG2 3.89Å; M887-V891 HydrophobicContact SD-CG2 4.37Å; M887-R900 PolarHBondContact O-NH2 3.35Å; M887-P984 WeakPolarHBondContact CE-O 3.49Å; M887-L987 HydrophobicContact SD-CD1 4.39Å
888	K	49.6	Very low	53.1	Low	176 Å²	176	66.3 Å²	66.3	77%	0.765	36%	0.356	S	S	*	.	S	Bend	trans	-89.3	-23.4	171.5	-70.7	-170.5	176.1	-172.9	0	114.3	V897	K888-V897 PolarHBondContact O-N 3.44Å
889	K	52.9	Low	53.2	Low	65 Å²	65	70.6 Å²	70.6	28%	0.283	37%	0.369	S	S	.	.	B	Isolated β-bridge	trans	-116.9	152	170.7	-62.1	174.9	-167.1	167.2	0	108.2	M887 A895 D988	M887-K889 WeakPolarHBondContact CB-O 3.31Å; K889-A895 CarbonylContact C-O 3.47Å; K889-A895 VanDerWaalsContact CA-O 3.31Å; K889-A895 WeakPolarHBondContact CA-O 3.03Å; K889-D988 IonicContact NZ-OD1 3.64Å; K889-D988 PolarHBondContact NZ-OD1 3.28Å; K889-D988 IonicContact NZ-OD2 3.5Å; K889-D988 PolarHBondContact NZ-OD2 3.08Å
890	C	53.2	Low	53.8	Low	2 Å²	2	71.6 Å²	71.6	1%	0.014	36%	0.361	C	S	.	.			trans	-64.6	137.6	171.2	176.9	0	0	0	0	110.2	F877 H882 C893 R894 A895	F877-C890 HydrophobicContact CD2-CB 4.45Å; H882-C890 WeakPolarHBondContact CB-SG 3.46Å; C890-C893 PolarHBondContact SG-N 3.23Å; C890-R894 WeakPolarHBondContact O-CA 3.24Å; C890-R894 PolarHBondContact O-N 2.86Å; C890-A895 PolarHBondContact N-O 3.48Å
891	V	52.6	Low	54.2	Low	36 Å²	36	71.3 Å²	71.3	22%	0.218	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-51.8	177.1	-174.9	0	0	0	0	110.5	M887	M887-V891 HydrophobicContact CE-CG2 4.08Å; M887-V891 HydrophobicContact CG-CG2 3.89Å; M887-V891 HydrophobicContact SD-CG2 4.37Å
892	Q	51.5	Low	54.5	Low	105 Å²	105	73.2 Å²	73.2	49%	0.491	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-36.5	-174.7	-72.1	169.5	-52.9	0	0	114.3	H882	H882-Q892 PolarHBondContact CD2-OE1 3.33Å
893	C	52.1	Low	54.8	Low	54 Å²	54	72.4 Å²	72.4	37%	0.365	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.7	6.4	-173	79.5	0	0	0	0	115.1	C880 C890 A895	C880-C893 WeakPolarHBondContact CB-SG 3.44Å; C890-C893 PolarHBondContact SG-N 3.23Å; C893-A895 PolarHBondContact O-N 2.94Å
894	R	53.2	Low	55.2	Low	118 Å²	118	74.7 Å²	74.7	45%	0.445	37%	0.374	S	S	.	.			trans	56.2	-3.4	175	-62.3	-178.4	172.1	-161.7	-5.4	118	C890 E979	C890-R894 WeakPolarHBondContact O-CA 3.24Å; C890-R894 PolarHBondContact O-N 2.86Å; R894-E979 IonicContact CZ-OE1 2.79Å; R894-E979 IonicContact NE-OE1 2.68Å; R894-E979 IonicContact NH2-OE1 3.73Å; R894-E979 PolarHBondContact NH2-OE1 3.06Å
895	A	55.3	Low	55.6	Low	38 Å²	38	78 Å²	78	31%	0.314	39%	0.39	S	S	.	.			trans	-58.4	148.1	173	0	0	0	0	0	112.3	K889 C890 C893	K889-A895 CarbonylContact C-O 3.47Å; K889-A895 VanDerWaalsContact CA-O 3.31Å; K889-A895 WeakPolarHBondContact CA-O 3.03Å; C890-A895 PolarHBondContact N-O 3.48Å; C893-A895 PolarHBondContact O-N 2.94Å
896	V	55.3	Low	56.4	Low	97 Å²	97	75.6 Å²	75.6	59%	0.588	37%	0.374	S	S	*	.	B	Isolated β-bridge	trans	-65.6	139.7	176.7	-178.3	0	0	0	0	110	E898	V896-E898 PolarHBondContact O-N 3.4Å
897	V	63.5	Low	57	Low	23 Å²	23	70.8 Å²	70.8	14%	0.139	35%	0.348	C	S	.	.			trans	-87.2	96.2	178.8	-179.3	0	0	0	0	109.3	F877 K888 R900	F877-V897 HydrophobicContact CB-CG1 4.05Å; F877-V897 HydrophobicContact CB-CG2 4.36Å; F877-V897 HydrophobicContact CD1-CG1 3.55Å; F877-V897 HydrophobicContact CD1-CG2 4.33Å; F877-V897 HydrophobicContact CD2-CG1 4.22Å; F877-V897 HydrophobicContact CD2-CG2 3.5Å; F877-V897 VanDerWaalsContact CD2-CG2 3.5Å; F877-V897 HydrophobicContact CE1-CG1 3.91Å; F877-V897 HydrophobicContact CE1-CG2 4.46Å; F877-V897 HydrophobicContact CE2-CG2 3.65Å; F877-V897 HydrophobicContact CG-CB 4.44Å; F877-V897 HydrophobicContact CG-CG1 3.7Å; F877-V897 HydrophobicContact CG-CG2 3.84Å; F877-V897 HydrophobicContact CZ-CG1 4.37Å; F877-V897 HydrophobicContact CZ-CG2 4.12Å; K888-V897 PolarHBondContact O-N 3.44Å; V897-R900 HydrophobicContact CG1-CG 3.82Å
898	E	53.7	Low	57.2	Low	156 Å²	156	71.7 Å²	71.7	73%	0.729	36%	0.364	S	S	*	.			trans	-76.4	-38.4	-178.1	-63.5	175.3	170.1	0	0	112.2	Q878 V896	Q878-E898 PolarHBondContact O-N 3.11Å; V896-E898 PolarHBondContact O-N 3.4Å
899	R	57.1	Low	57.5	Low	168 Å²	168	64.1 Å²	64.1	63%	0.634	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.3	148.5	-178.7	-168	175.5	-179.6	-167.5	5.3	111.5	F877 Q878	F877-R899 WeakPolarHBondContact CA-O 3.48Å; Q878-R899 HydrophobicContact CB-CB 4.24Å; Q878-R899 PolarHBondContact N-O 3.09Å
900	R	65.5	Low	56.9	Low	114 Å²	114	70.9 Å²	70.9	43%	0.43	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	129.8	179.2	-64.4	-174.8	178.2	-169.3	0.4	110.3	V875 L876 F877 S885 M887 V897	V875-R900 HydrophobicContact CG1-CB 3.78Å; V875-R900 HydrophobicContact CG1-CG 4.35Å; L876-R900 CarbonylContact O-C 3.58Å; L876-R900 WeakPolarHBondContact O-CA 3.32Å; F877-R900 HydrophobicContact CD1-CG 3.97Å; F877-R900 HydrophobicContact CE1-CG 4Å; S885-R900 PolarHBondContact O-NH1 3.06Å; M887-R900 PolarHBondContact O-NH2 3.35Å; V897-R900 HydrophobicContact CG1-CG 3.82Å
901	T	60.4	Low	56.2	Low	28 Å²	28	73.5 Å²	73.5	17%	0.172	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	116	-177.2	-56.7	0	0	0	0	110.4	V875 L876 L905	V875-T901 WeakPolarHBondContact CA-O 3.43Å; L876-T901 PolarHBondContact N-O 3.39Å; L876-T901 PolarHBondContact O-N 2.85Å; T901-L905 HydrophobicContact CG2-CB 4.14Å
902	P	60.3	Low	55.2	Low	66 Å²	66	80.1 Å²	80.1	43%	0.429	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	141.5	175.7	-26.9	33.9	0	0	0	114.1	V904 L905	P902-V904 PolarHBondContact O-N 3.36Å; P902-V904 VanDerWaalsContact O-N 3.14Å; P902-L905 HydrophobicContact CB-CD1 4.32Å; P902-L905 HydrophobicContact CG-CD1 4.18Å; P902-L905 WeakPolarHBondContact O-CB 3.33Å; P902-L905 PolarHBondContact O-N 2.97Å
903	F	64.3	Low	54.2	Low	43 Å²	43	84.1 Å²	84.1	19%	0.189	44%	0.44	C	S	.	.	H	α-helix	trans	-51.2	-38.2	-178.8	-178.4	-90.7	0	0	0	113.9	I836 I862 A874 L905 C906 C907	I836-F903 HydrophobicContact CD1-CD2 3.67Å; I836-F903 HydrophobicContact CD1-CE2 3.64Å; I836-F903 HydrophobicContact CD1-CZ 4.48Å; I836-F903 HydrophobicContact CG2-CE2 4.19Å; I836-F903 HydrophobicContact CG2-CZ 4.21Å; I862-F903 HydrophobicContact CD1-CE2 4.49Å; A874-F903 WeakPolarHBondContact O-CB 3.43Å; A874-F903 PolarHBondContact O-N 3.07Å; F903-L905 VanDerWaalsContact C-N 3.26Å; F903-L905 PolarHBondContact O-N 3.04Å; F903-C906 WeakPolarHBondContact O-CB 3.38Å; F903-C906 PolarHBondContact O-N 3.39Å; F903-C906 VanDerWaalsContact O-N 3.1Å; F903-C907 WeakPolarHBondContact CE1-SG 3.3Å; F903-C907 PolarHBondContact O-N 3Å; F903-C907 PolarHBondContact O-SG 3.23Å; F903-C907 VanDerWaalsContact O-SG 3.37Å
904	V	60.8	Low	53	Low	79 Å²	79	86.5 Å²	86.5	48%	0.479	46%	0.458	S	S	.	.	H	α-helix	trans	-59.2	-34.6	178.5	179.8	0	0	0	0	112.4	L815 P902 C907 G908 G909	L815-V904 HydrophobicContact CD1-CG1 4.49Å; P902-V904 PolarHBondContact O-N 3.36Å; P902-V904 VanDerWaalsContact O-N 3.14Å; V904-C907 PolarHBondContact O-N 2.84Å; V904-G908 PolarHBondContact O-N 2.7Å; V904-G909 WeakPolarHBondContact O-CA 3.48Å; V904-G909 PolarHBondContact O-N 3.4Å
905	L	60.8	Low	51.8	Low	79 Å²	79	89 Å²	89	41%	0.414	48%	0.478	S	S	.	.	H	α-helix	trans	-73.1	-39.1	176	-76.7	149.4	0	0	0	111.4	T901 P902 F903 C907 G908 G909	T901-L905 HydrophobicContact CG2-CB 4.14Å; P902-L905 HydrophobicContact CB-CD1 4.32Å; P902-L905 HydrophobicContact CG-CD1 4.18Å; P902-L905 WeakPolarHBondContact O-CB 3.33Å; P902-L905 PolarHBondContact O-N 2.97Å; F903-L905 VanDerWaalsContact C-N 3.26Å; F903-L905 PolarHBondContact O-N 3.04Å; L905-C907 PolarHBondContact O-N 2.83Å; L905-G908 PolarHBondContact O-N 3.19Å; L905-G909 WeakPolarHBondContact CD2-O 3.43Å
906	C	61.2	Low	50.5	Low	12 Å²	12	92.4 Å²	92.4	8%	0.081	50%	0.495	C	S	.	.	H	α-helix	trans	-65.4	-22.7	173.4	-66.8	0	0	0	0	113.1	H835 I836 F903 G908	H835-C906 WeakPolarHBondContact CA-O 3.39Å; I836-C906 HydrophobicContact CD1-CB 3.61Å; I836-C906 HydrophobicContact CG1-CB 3.99Å; I836-C906 PolarHBondContact N-O 3.12Å; F903-C906 WeakPolarHBondContact O-CB 3.38Å; F903-C906 PolarHBondContact O-N 3.39Å; F903-C906 VanDerWaalsContact O-N 3.1Å; C906-G908 VanDerWaalsContact C-N 3.34Å
907	C	62.7	Low	49	Very low	4 Å²	4	93.8 Å²	93.8	3%	0.027	50%	0.499	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	0.3	172.1	-62.5	0	0	0	0	113.9	L815 R826 I851 F903 V904 L905	L815-C907 HydrophobicContact CB-CB 4.4Å; L815-C907 HydrophobicContact CD2-CB 4.31Å; L815-C907 WeakPolarHBondContact CD2-O 3.11Å; R826-C907 PolarHBondContact NH1-O 3.02Å; I851-C907 WeakPolarHBondContact CD1-O 3.47Å; F903-C907 WeakPolarHBondContact CE1-SG 3.3Å; F903-C907 PolarHBondContact O-N 3Å; F903-C907 PolarHBondContact O-SG 3.23Å; F903-C907 VanDerWaalsContact O-SG 3.37Å; V904-C907 PolarHBondContact O-N 2.84Å; L905-C907 PolarHBondContact O-N 2.83Å
908	G	56	Low	47.1	Very low	42 Å²	42	99.7 Å²	99.7	43%	0.433	53%	0.53	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.6	7.5	177.7	0	0	0	0	0	115.9	V904 L905 C906	V904-G908 PolarHBondContact O-N 2.7Å; L905-G908 PolarHBondContact O-N 3.19Å; C906-G908 VanDerWaalsContact C-N 3.34Å
909	G	55	Low	45.8	Very low	17 Å²	17	98.7 Å²	98.7	18%	0.175	53%	0.528	C	S	.	.	P	Polyproline II helix	trans	-70.1	138.7	178.1	0	0	0	0	0	113.2	V904 L905	V904-G909 WeakPolarHBondContact O-CA 3.48Å; V904-G909 PolarHBondContact O-N 3.4Å; L905-G909 WeakPolarHBondContact CD2-O 3.43Å
910	K	40.8	Very low	44.3	Very low	208 Å²	208	97.6 Å²	97.6	90%	0.904	54%	0.535	S	S	*	.	P	Polyproline II helix	trans	-76.8	122.4	175.3	-66.1	179.5	-179.7	176.5	0	110
911	G	38.3	Very low	42.3	Very low	56 Å²	56	96.9 Å²	96.9	58%	0.577	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-74.8	144.2	-169.5	0	0	0	0	0	115.6
912	I	32.5	Very low	40.5	Very low	175 Å²	175	104.2 Å²	104.2	90%	0.897	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-85	144.9	168.4	-60.9	174.1	0	0	0	109
913	K	30.5	Very low	38.6	Very low	190 Å²	190	106.2 Å²	106.2	83%	0.826	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-88.7	153.6	-178.7	-73.5	-177.7	174.9	179.9	0	112.7
914	S	27.1	Very low	36.7	Very low	104 Å²	104	109.1 Å²	109.1	73%	0.727	61%	0.612	S	S	*	*			trans	56.2	124.3	161.2	57	0	0	0	0	119
915	I	25.9	Very low	34.8	Very low	170 Å²	170	112.6 Å²	112.6	87%	0.872	63%	0.628	S	S	*	*				-135.5	142.6	96.4	-87.1	157.2	0	0	0	107.2
916	T	28.5	Very low	33.6	Very low	110 Å²	110	114.2 Å²	114.2	68%	0.675	64%	0.643	S	S	*	*			trans	-140	-178.6	174	53.5	0	0	0	0	109.2
917	N	25.3	Very low	31.8	Very low	125 Å²	125	117.3 Å²	117.3	67%	0.668	68%	0.677	S	S	*	*			trans	84.9	145.4	-176.5	-43.9	1.9	0	0	0	111.2	I919	N917-I919 HydrophobicContact CB-CD1 4.25Å; N917-I919 HydrophobicContact CB-CG1 4.48Å
918	D	23.5	Very low	30	Very low	147 Å²	147	128.7 Å²	128.7	79%	0.786	72%	0.72	S	S	*	*			cis	-98.2	144.9	9.4	-64.1	-48.7	0	0	0	112.5
919	I	25.4	Very low	28.5	Very low	136 Å²	136	136.5 Å²	136.5	70%	0.697	74%	0.742	S	S	*	*				71.5	119.4	56	-61.3	169.9	0	0	0	111.7	N917	N917-I919 HydrophobicContact CB-CD1 4.25Å; N917-I919 HydrophobicContact CB-CG1 4.48Å
920	D	24.8	Very low	26.9	Very low	145 Å²	145	139.6 Å²	139.6	78%	0.775	77%	0.774	S	S	*	*			cis	-149.5	-138	-19.8	-163.7	25.3	0	0	0	108.1
921	V	24.4	Very low	26.1	Very low	99 Å²	99	135.2 Å²	135.2	60%	0.6	77%	0.769	S	S	*	*			cis	-161	150.6	4.3	80.9	0	0	0	0	111.9
922	K	21.9	Very low	25.4	Very low	182 Å²	182	139.9 Å²	139.9	79%	0.791	78%	0.78	S	S	*	*			trans	67.9	146	164.5	-69.6	167.7	-173	174.2	0	118.1
923	C	21.2	Very low	25	Very low	107 Å²	107	137.1 Å²	137.1	72%	0.723	77%	0.767	S	S	*	*			cis	-151.1	154.1	8	-135.8	0	0	0	0	115
924	S	23.7	Very low	24.7	Very low	104 Å²	104	135.5 Å²	135.5	73%	0.727	76%	0.762	S	S	*	*			trans	50	91.4	149.8	59.3	0	0	0	0	122.1
925	D	22.2	Very low	24.5	Very low	153 Å²	153	137.5 Å²	137.5	82%	0.818	76%	0.764	S	S	*	*				20.8	160.8	96.8	-137.1	28	0	0	0	120.3
926	P	35.3	Very low	24.5	Very low	112 Å²	112	137.8 Å²	137.8	73%	0.727	76%	0.762	S	S	*	*			cis	-134.6	166.4	-11.1	17.9	7.5	0	0	0	117.7
927	G	23.2	Very low	24.3	Very low	77 Å²	77	142 Å²	142	79%	0.794	77%	0.771	S	S	*	*			trans	100	160.2	152.9	0	0	0	0	0	117.6
928	R	25	Very low	24.9	Very low	243 Å²	243	141.3 Å²	141.3	92%	0.917	77%	0.773	S	S	*	*			cis	-153.9	158	1.4	-157	-175.8	-161.9	-162.3	7.9	110.9
929	K	23.4	Very low	25	Very low	206 Å²	206	140.5 Å²	140.5	90%	0.896	78%	0.776	S	S	*	*			trans	-37.9	151.2	176.3	-48	171.5	179.8	-178.1	0	116.3
930	G	23	Very low	25	Very low	82 Å²	82	139.4 Å²	139.4	85%	0.845	78%	0.78	S	S	*	*			trans	157.3	125.4	146.9	0	0	0	0	0	118.3
931	S	22.9	Very low	25.1	Very low	116 Å²	116	137.2 Å²	137.2	81%	0.811	78%	0.776	S	S	*	*			trans	-78	159.6	-177.9	-41.9	0	0	0	0	116.9
932	L	23.5	Very low	25	Very low	155 Å²	155	142.6 Å²	142.6	81%	0.812	79%	0.792	S	S	*	*			trans	77.8	131.3	143.8	-117.9	75	0	0	0	123.1
933	D	24.7	Very low	25.1	Very low	116 Å²	116	138.6 Å²	138.6	62%	0.62	79%	0.787	S	S	*	*			trans	74.5	119.5	139.6	-89	30.1	0	0	0	126.7
934	Q	24.1	Very low	25.2	Very low	156 Å²	156	141.8 Å²	141.8	73%	0.729	80%	0.795	S	S	*	*			trans	83.5	160.7	135.4	-68.7	-174.7	52.5	0	0	123.2
935	L	23	Very low	25.2	Very low	147 Å²	147	147.8 Å²	147.8	77%	0.77	80%	0.802	S	S	*	*			trans	75.5	141.5	177.3	-46.5	174.1	0	0	0	115.2
936	H	26.1	Very low	25.3	Very low	176 Å²	176	147.2 Å²	147.2	82%	0.815	80%	0.804	S	S	*	*			cis	-152.8	177.3	-3.2	-135	25.6	0	0	0	112.1
937	K	23.7	Very low	24.8	Very low	198 Å²	198	146.3 Å²	146.3	86%	0.861	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-103	165.1	177.2	-108.3	-169.8	175.3	-179	0	112.5
938	P	38.8	Very low	25.1	Very low	111 Å²	111	149 Å²	149	72%	0.721	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-94.2	166.7	-165.4	38.4	-38.1	0	0	0	114.6
939	P	25.6	Very low	25	Very low	129 Å²	129	140.7 Å²	140.7	84%	0.838	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-93.2	156.8	159.3	36.8	-31.3	0	0	0	112.4
940	S	25	Very low	25.2	Very low	113 Å²	113	138.2 Å²	138.2	79%	0.79	80%	0.799	S	S	*	*			trans	-142.9	132.8	170.2	60.4	0	0	0	0	110.4
941	S	25.6	Very low	25.3	Very low	100 Å²	100	141.7 Å²	141.7	70%	0.699	80%	0.797	S	S	*	*			trans	151.3	142	143.3	54.6	0	0	0	0	112
942	F	23.4	Very low	25.9	Very low	212 Å²	212	142.3 Å²	142.3	93%	0.93	80%	0.798	S	S	*	*				-148	152.6	118.8	-115.8	-78.7	0	0	0	108.5
943	S	22.8	Very low	26.7	Very low	98 Å²	98	139.2 Å²	139.2	69%	0.685	80%	0.795	S	S	*	*			trans	-138	145	-164.3	-51.8	0	0	0	0	111.4
944	I	23.5	Very low	26.9	Very low	173 Å²	173	141.9 Å²	141.9	89%	0.887	81%	0.808	S	S	*	*			trans	-132.2	146.2	156.6	-64	-174.5	0	0	0	108.4
945	R	23.9	Very low	27.8	Very low	230 Å²	230	143 Å²	143	87%	0.868	81%	0.814	S	S	*	*			trans	-125.6	144.1	179.2	-72.3	176.3	168.5	-177.3	-3.3	110.8
946	T	24.2	Very low	28.3	Very low	142 Å²	142	146.8 Å²	146.8	87%	0.871	82%	0.818	S	S	*	*			trans	-172.9	165.4	142.8	34	0	0	0	0	107.5
947	A	25.6	Very low	28.6	Very low	93 Å²	93	144.6 Å²	144.6	77%	0.769	81%	0.812	S	S	*	*			cis	-161.2	159.1	-39.6	0	0	0	0	0	107
948	S	28.8	Very low	29.3	Very low	132 Å²	132	143.9 Å²	143.9	92%	0.923	81%	0.809	S	S	*	*			trans	-83.2	153.7	-163.1	-46.5	0	0	0	0	116.4
949	G	24.4	Very low	29.3	Very low	70 Å²	70	144.3 Å²	144.3	72%	0.722	81%	0.805	S	S	*	*			trans	-168	145	166	0	0	0	0	0	113.1
950	N	27.4	Very low	29.9	Very low	153 Å²	153	144.6 Å²	144.6	82%	0.818	80%	0.799	S	S	*	*			trans	-123.3	-178	177.1	-59.3	11.4	0	0	0	107.8
951	I	24.7	Very low	30.8	Very low	155 Å²	155	144.5 Å²	144.5	80%	0.795	79%	0.794	S	S	*	*			cis	-153.2	155.5	13.1	-26.9	156.3	0	0	0	104.6
952	P	34.8	Very low	31.9	Very low	129 Å²	129	145 Å²	145	84%	0.838	79%	0.789	S	S	*	*			cis	-127.1	-116.7	16.1	41.2	-21.1	0	0	0	113.2
953	A	41.6	Very low	33.1	Very low	90 Å²	90	139.7 Å²	139.7	74%	0.744	77%	0.774	S	S	*	*			trans	-145.5	154.2	-179.6	0	0	0	0	0	112.2
954	L	27.4	Very low	34.4	Very low	173 Å²	173	139.8 Å²	139.8	91%	0.906	77%	0.767	S	S	*	*			trans	-145.2	163.3	160.7	-95.4	174.1	0	0	0	109.2
955	Q	44.4	Very low	36	Very low	180 Å²	180	133.8 Å²	133.8	84%	0.841	74%	0.743	S	S	*	*			trans	-84.3	-174.5	-171.9	-64.2	166.8	-72.3	0	0	113.5
956	R	32.3	Very low	37.7	Very low	226 Å²	226	126 Å²	126	85%	0.853	72%	0.719	S	S	*	*			trans	98.8	145.6	-179.4	-57.2	-169.2	-159.3	173.3	4.5	115.1
957	D	32.6	Very low	39.7	Very low	129 Å²	129	122.6 Å²	122.6	69%	0.69	70%	0.698	S	S	*	*			cis	-154.1	-179.4	-21.7	-100.3	-31.4	0	0	0	110.1
958	K	38.5	Very low	41.4	Very low	184 Å²	184	124.3 Å²	124.3	80%	0.8	69%	0.69	S	S	*	*	S	Bend	trans	-87.5	-12.3	-164.6	-89.7	-179.9	174.6	174.8	0	116.7	N960	K958-N960 PolarHBondContact O-N 2.81Å
959	D	38.1	Very low	43.2	Very low	119 Å²	119	124 Å²	124	64%	0.636	67%	0.672	S	S	*	*	G	3₁₀ helix	trans	-85.6	-9	-150.1	-50.8	-68.2	0	0	0	115.7	T961 N962	D959-T961 PolarHBondContact O-N 2.8Å; D959-N962 PolarHBondContact O-N 2.94Å
960	N	38.6	Very low	44.8	Very low	135 Å²	135	126 Å²	126	72%	0.722	67%	0.665	S	S	*	*	G	3₁₀ helix	trans	-71.5	11.1	-174.8	-153.1	6.2	0	0	0	114.9	K958	K958-N960 PolarHBondContact O-N 2.81Å
961	T	43.8	Very low	46.5	Very low	112 Å²	112	124.6 Å²	124.6	69%	0.687	65%	0.654	S	S	*	*	G	3₁₀ helix	trans	-93.5	-27.5	174	49.1	0	0	0	0	113.1	D959	D959-T961 PolarHBondContact O-N 2.8Å
962	N	49	Very low	48.6	Very low	111 Å²	111	122.3 Å²	122.3	59%	0.594	64%	0.64	S	S	*	*	H	α-helix	trans	-77.7	-41.6	-169.5	-138.6	25	0	0	0	112.7	D959 N964 A965 D966	D959-N962 PolarHBondContact O-N 2.94Å; N962-N964 PolarHBondContact O-N 3.16Å; N962-A965 WeakPolarHBondContact O-CB 3.47Å; N962-A965 PolarHBondContact O-N 3.17Å; N962-D966 PolarHBondContact O-N 3.43Å
963	V	48.4	Very low	50.1	Low	100 Å²	100	121.3 Å²	121.3	61%	0.606	62%	0.624	S	S	*	*	H	α-helix	trans	-57.9	-35.6	-177.9	-175.8	0	0	0	0	112.5	A965 V967	V963-A965 VanDerWaalsContact C-N 3.31Å; V963-A965 PolarHBondContact O-N 2.92Å; V963-V967 WeakPolarHBondContact O-CG2 3.13Å; V963-V967 PolarHBondContact O-N 2.88Å
964	N	51.1	Low	51.1	Low	99 Å²	99	121.8 Å²	121.8	53%	0.529	61%	0.613	S	S	.	*	H	α-helix	trans	-68.3	-28.5	175.8	-84.1	-70.5	0	0	0	113.1	N962 Q968	N962-N964 PolarHBondContact O-N 3.16Å; N964-Q968 VanDerWaalsContact O-CG 3.29Å; N964-Q968 WeakPolarHBondContact O-CG 3.45Å; N964-Q968 PolarHBondContact O-N 2.88Å
965	A	56.4	Low	53	Low	48 Å²	48	116.4 Å²	116.4	40%	0.397	58%	0.583	S	S	.	*	H	α-helix	trans	-73.3	-44.4	179.4	0	0	0	0	0	111.6	N962 V963 Q968 K969	N962-A965 WeakPolarHBondContact O-CB 3.47Å; N962-A965 PolarHBondContact O-N 3.17Å; V963-A965 VanDerWaalsContact C-N 3.31Å; V963-A965 PolarHBondContact O-N 2.92Å; A965-Q968 PolarHBondContact O-N 3.34Å; A965-K969 WeakPolarHBondContact O-CB 3.46Å; A965-K969 PolarHBondContact O-N 3.47Å
966	D	59.5	Low	54	Low	67 Å²	67	110.8 Å²	110.8	36%	0.358	56%	0.559	S	S	.	*	H	α-helix	trans	-72.1	-31	179.8	-71.2	-52.9	0	0	0	112.8	N962 K969 L970	N962-D966 PolarHBondContact O-N 3.43Å; D966-K969 WeakPolarHBondContact O-CB 3.49Å; D966-K969 PolarHBondContact O-N 2.98Å; D966-K969 VanDerWaalsContact OD1-CD 3.24Å; D966-K969 WeakPolarHBondContact OD1-CD 3.47Å; D966-K969 IonicContact OD1-NZ 3.88Å; D966-K969 PolarHBondContact OD1-NZ 3.1Å; D966-L970 WeakPolarHBondContact O-CG 3.05Å; D966-L970 PolarHBondContact O-N 3.28Å
967	V	67.3	Low	55.8	Low	70 Å²	70	104.9 Å²	104.9	42%	0.424	54%	0.544	S	S	.	.	H	α-helix	trans	-62.3	-41.9	169.2	172.1	0	0	0	0	111.4	V963 Q971	V963-V967 WeakPolarHBondContact O-CG2 3.13Å; V963-V967 PolarHBondContact O-N 2.88Å; V967-Q971 WeakPolarHBondContact O-CB 3.43Å; V967-Q971 VanDerWaalsContact O-CG 3.27Å; V967-Q971 WeakPolarHBondContact O-CG 3.26Å; V967-Q971 PolarHBondContact O-N 3.48Å
968	Q	61.4	Low	57.5	Low	129 Å²	129	103.6 Å²	103.6	60%	0.603	53%	0.532	S	S	*	.	H	α-helix	trans	-65.3	-38.8	174.7	-72.5	173	16.3	0	0	112	N964 A965 Q971 Q972	N964-Q968 VanDerWaalsContact O-CG 3.29Å; N964-Q968 WeakPolarHBondContact O-CG 3.45Å; N964-Q968 PolarHBondContact O-N 2.88Å; A965-Q968 PolarHBondContact O-N 3.34Å; Q968-Q971 PolarHBondContact O-N 3.38Å; Q968-Q972 WeakPolarHBondContact O-CB 3.49Å; Q968-Q972 PolarHBondContact O-N 2.84Å
969	K	65.4	Low	58.9	Low	125 Å²	125	98 Å²	98	54%	0.543	51%	0.508	S	S	.	.	H	α-helix	trans	-65.1	-41.7	178.5	-166.7	-173.2	-170.8	-175.3	0	112.5	A965 D966 Q972 Q973	A965-K969 WeakPolarHBondContact O-CB 3.46Å; A965-K969 PolarHBondContact O-N 3.47Å; D966-K969 WeakPolarHBondContact O-CB 3.49Å; D966-K969 PolarHBondContact O-N 2.98Å; D966-K969 VanDerWaalsContact OD1-CD 3.24Å; D966-K969 WeakPolarHBondContact OD1-CD 3.47Å; D966-K969 IonicContact OD1-NZ 3.88Å; D966-K969 PolarHBondContact OD1-NZ 3.1Å; K969-Q972 WeakPolarHBondContact O-CB 3.43Å; K969-Q972 PolarHBondContact O-N 3.37Å; K969-Q973 WeakPolarHBondContact O-CG 3.46Å; K969-Q973 PolarHBondContact O-N 3.02Å
970	L	58.8	Low	60.5	Low	111 Å²	111	98.9 Å²	98.9	58%	0.581	51%	0.509	S	S	*	.	H	α-helix	trans	-67.7	-39.3	173.3	-72.7	167.5	0	0	0	111.9	D966 Q972 Q973 L974	D966-L970 WeakPolarHBondContact O-CG 3.05Å; D966-L970 PolarHBondContact O-N 3.28Å; L970-Q972 VanDerWaalsContact C-N 3.32Å; L970-Q972 PolarHBondContact O-N 3Å; L970-Q973 PolarHBondContact O-N 2.89Å; L970-L974 WeakPolarHBondContact O-CB 3.38Å; L970-L974 PolarHBondContact O-N 2.89Å
971	Q	62.7	Low	62.3	Low	125 Å²	125	95.6 Å²	95.6	58%	0.584	49%	0.494	S	S	*	.	H	α-helix	trans	-62.8	-38.2	172.9	-73.1	175	8.5	0	0	111.9	V967 Q968 Q975	V967-Q971 WeakPolarHBondContact O-CB 3.43Å; V967-Q971 VanDerWaalsContact O-CG 3.27Å; V967-Q971 WeakPolarHBondContact O-CG 3.26Å; V967-Q971 PolarHBondContact O-N 3.48Å; Q968-Q971 PolarHBondContact O-N 3.38Å; Q971-Q975 WeakPolarHBondContact O-CB 3.08Å; Q971-Q975 PolarHBondContact O-N 2.89Å
972	Q	68.3	Low	63.9	Low	107 Å²	107	91.8 Å²	91.8	50%	0.5	47%	0.468	S	S	.	.	H	α-helix	trans	-64.1	-47.6	173.4	-172.3	64.7	55.6	0	0	111.7	Q968 K969 L970 L974 Q975 D976	Q968-Q972 WeakPolarHBondContact O-CB 3.49Å; Q968-Q972 PolarHBondContact O-N 2.84Å; K969-Q972 WeakPolarHBondContact O-CB 3.43Å; K969-Q972 PolarHBondContact O-N 3.37Å; L970-Q972 VanDerWaalsContact C-N 3.32Å; L970-Q972 PolarHBondContact O-N 3Å; Q972-L974 VanDerWaalsContact C-N 3.35Å; Q972-L974 PolarHBondContact O-N 3.14Å; Q972-Q975 WeakPolarHBondContact O-CA 3.26Å; Q972-Q975 WeakPolarHBondContact O-CB 3.08Å; Q972-Q975 PolarHBondContact O-N 2.7Å; Q972-Q975 VanDerWaalsContact O-N 3.07Å; Q972-D976 PolarHBondContact NE2-OD1 2.89Å; Q972-D976 PolarHBondContact O-N 3.33Å
973	Q	66	Low	65.3	Low	107 Å²	107	86.5 Å²	86.5	50%	0.5	44%	0.44	S	S	.	.	H	α-helix	trans	-60.7	-41.9	177.5	-73.3	177.1	-27.6	0	0	112.6	K969 L970 Q975 D976 I977	K969-Q973 WeakPolarHBondContact O-CG 3.46Å; K969-Q973 PolarHBondContact O-N 3.02Å; L970-Q973 PolarHBondContact O-N 2.89Å; Q973-Q975 VanDerWaalsContact C-N 3.27Å; Q973-Q975 PolarHBondContact O-N 2.86Å; Q973-D976 PolarHBondContact O-N 3.49Å; Q973-I977 WeakPolarHBondContact O-CG1 3.42Å; Q973-I977 PolarHBondContact O-N 2.73Å; Q973-I977 VanDerWaalsContact O-N 3.09Å
974	L	63	Low	66.4	Low	100 Å²	100	83.2 Å²	83.2	52%	0.524	42%	0.421	S	S	.	.	H	α-helix	trans	-64.2	-32.7	175.4	-169.1	75.5	0	0	0	112.2	L970 Q972 K978	L970-L974 WeakPolarHBondContact O-CB 3.38Å; L970-L974 PolarHBondContact O-N 2.89Å; Q972-L974 VanDerWaalsContact C-N 3.35Å; Q972-L974 PolarHBondContact O-N 3.14Å; L974-K978 WeakPolarHBondContact O-CD 3.01Å; L974-K978 VanDerWaalsContact O-CG 3.3Å; L974-K978 WeakPolarHBondContact O-CG 3.5Å; L974-K978 PolarHBondContact O-N 2.95Å
975	Q	66.8	Low	67.4	Low	60 Å²	60	80.7 Å²	80.7	28%	0.28	41%	0.409	S	S	.	.	H	α-helix	trans	-71.1	-46.7	174.8	178.8	74.7	-7.7	0	0	111.3	Q971 Q972 Q973 I977 K978 E979	Q971-Q975 WeakPolarHBondContact O-CB 3.08Å; Q971-Q975 PolarHBondContact O-N 2.89Å; Q972-Q975 WeakPolarHBondContact O-CA 3.26Å; Q972-Q975 WeakPolarHBondContact O-CB 3.08Å; Q972-Q975 PolarHBondContact O-N 2.7Å; Q972-Q975 VanDerWaalsContact O-N 3.07Å; Q973-Q975 VanDerWaalsContact C-N 3.27Å; Q973-Q975 PolarHBondContact O-N 2.86Å; Q975-I977 VanDerWaalsContact C-N 3.34Å; Q975-I977 PolarHBondContact O-N 2.73Å; Q975-K978 WeakPolarHBondContact O-CB 3.44Å; Q975-K978 PolarHBondContact O-N 3.44Å; Q975-K978 VanDerWaalsContact O-N 3.11Å; Q975-E979 PolarHBondContact NE2-OE1 2.96Å; Q975-E979 PolarHBondContact O-N 2.9Å
976	D	66.7	Low	68.2	Low	62 Å²	62	80 Å²	80	33%	0.332	40%	0.401	S	S	.	.	H	α-helix	trans	-60.2	-42.7	-179.7	-62.9	-16.7	0	0	0	111.2	Q972 Q973 K978 E979 Q980	Q972-D976 PolarHBondContact NE2-OD1 2.89Å; Q972-D976 PolarHBondContact O-N 3.33Å; Q973-D976 PolarHBondContact O-N 3.49Å; D976-K978 VanDerWaalsContact C-N 3.33Å; D976-K978 PolarHBondContact O-N 3.21Å; D976-E979 PolarHBondContact O-N 3.45Å; D976-Q980 WeakPolarHBondContact O-CB 3.12Å; D976-Q980 WeakPolarHBondContact O-CG 3.42Å; D976-Q980 PolarHBondContact O-N 2.97Å
977	I	70.1	Confident	68.8	Low	103 Å²	103	78.7 Å²	78.7	53%	0.528	39%	0.394	S	S	.	.	H	α-helix	trans	-63.3	-38.1	176.2	-67.9	166.8	0	0	0	111.5	Q973 Q975 T981	Q973-I977 WeakPolarHBondContact O-CG1 3.42Å; Q973-I977 PolarHBondContact O-N 2.73Å; Q973-I977 VanDerWaalsContact O-N 3.09Å; Q975-I977 VanDerWaalsContact C-N 3.34Å; Q975-I977 PolarHBondContact O-N 2.73Å; I977-T981 WeakPolarHBondContact O-CG2 3.49Å; I977-T981 PolarHBondContact O-N 3.33Å; I977-T981 PolarHBondContact O-OG1 2.77Å
978	K	67.1	Low	69	Low	101 Å²	101	80.6 Å²	80.6	44%	0.439	40%	0.402	S	S	.	.	H	α-helix	trans	-66.1	-42.5	174	-72.7	166.7	-176	169	0	111.3	L974 Q975 D976 T981 M982	L974-K978 WeakPolarHBondContact O-CD 3.01Å; L974-K978 VanDerWaalsContact O-CG 3.3Å; L974-K978 WeakPolarHBondContact O-CG 3.5Å; L974-K978 PolarHBondContact O-N 2.95Å; Q975-K978 WeakPolarHBondContact O-CB 3.44Å; Q975-K978 PolarHBondContact O-N 3.44Å; Q975-K978 VanDerWaalsContact O-N 3.11Å; D976-K978 VanDerWaalsContact C-N 3.33Å; D976-K978 PolarHBondContact O-N 3.21Å; K978-T981 PolarHBondContact O-N 2.87Å; K978-T981 PolarHBondContact O-OG1 3.21Å; K978-T981 VanDerWaalsContact O-OG1 3.12Å; K978-M982 HydrophobicContact CB-CE 4.43Å; K978-M982 WeakPolarHBondContact O-CB 3.36Å; K978-M982 VanDerWaalsContact O-CG 3.24Å; K978-M982 WeakPolarHBondContact O-CG 3.18Å; K978-M982 PolarHBondContact O-N 3.31Å
979	E	68.1	Low	69.7	Low	66 Å²	66	81.5 Å²	81.5	31%	0.308	40%	0.399	S	S	.	.	H	α-helix	trans	-72.5	-29.6	179.8	-65.6	-168.9	179.2	0	0	112.7	R894 Q975 D976 T981 M982	R894-E979 IonicContact CZ-OE1 2.79Å; R894-E979 IonicContact NE-OE1 2.68Å; R894-E979 IonicContact NH2-OE1 3.73Å; R894-E979 PolarHBondContact NH2-OE1 3.06Å; Q975-E979 PolarHBondContact NE2-OE1 2.96Å; Q975-E979 PolarHBondContact O-N 2.9Å; D976-E979 PolarHBondContact O-N 3.45Å; E979-T981 VanDerWaalsContact C-N 3.33Å; E979-T981 PolarHBondContact O-N 3.07Å; E979-M982 HydrophobicContact CG-CE 4.07Å
980	Q	72.5	Confident	70.4	Confident	138 Å²	138	80.2 Å²	80.2	65%	0.645	40%	0.398	S	S	*	.	H	α-helix	trans	-67.1	-29.2	169.1	-73.2	-179.5	32.2	0	0	113.5	D976 K991	D976-Q980 WeakPolarHBondContact O-CB 3.12Å; D976-Q980 WeakPolarHBondContact O-CG 3.42Å; D976-Q980 PolarHBondContact O-N 2.97Å; Q980-K991 VanDerWaalsContact O-CE 3.31Å; Q980-K991 WeakPolarHBondContact O-CE 3.25Å; Q980-K991 PolarHBondContact O-NZ 3.42Å
981	T	76.3	Confident	71.6	Confident	66 Å²	66	78 Å²	78	41%	0.405	38%	0.384	S	S	.	.	H	α-helix	trans	-96.9	-21.1	-176.7	50.7	0	0	0	0	114.3	I977 K978 E979 L990 K991	I977-T981 WeakPolarHBondContact O-CG2 3.49Å; I977-T981 PolarHBondContact O-N 3.33Å; I977-T981 PolarHBondContact O-OG1 2.77Å; K978-T981 PolarHBondContact O-N 2.87Å; K978-T981 PolarHBondContact O-OG1 3.21Å; K978-T981 VanDerWaalsContact O-OG1 3.12Å; E979-T981 VanDerWaalsContact C-N 3.33Å; E979-T981 PolarHBondContact O-N 3.07Å; T981-L990 WeakPolarHBondContact O-CA 3.19Å; T981-K991 WeakPolarHBondContact O-CG 3.13Å; T981-K991 PolarHBondContact O-N 2.99Å
982	M	78	Confident	72.7	Confident	32 Å²	32	73.3 Å²	73.3	16%	0.158	36%	0.363	C	S	.	.	B	Isolated β-bridge	trans	-80.5	148.6	177.6	-70.9	-176.4	-47.7	0	0	114.2	K978 E979 L990 K991	K978-M982 HydrophobicContact CB-CE 4.43Å; K978-M982 WeakPolarHBondContact O-CB 3.36Å; K978-M982 VanDerWaalsContact O-CG 3.24Å; K978-M982 WeakPolarHBondContact O-CG 3.18Å; K978-M982 PolarHBondContact O-N 3.31Å; E979-M982 HydrophobicContact CG-CE 4.07Å; M982-L990 HydrophobicContact CG-CD2 4.29Å; M982-K991 WeakPolarHBondContact O-CE 3.41Å
983	C	78.3	Confident	73.3	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	34%	0.34	C	S	.	.			trans	-61.7	124.4	179	173.3	0	0	0	0	111.2	V985 L987 R989 C1002	C983-V985 PolarHBondContact O-N 2.79Å; C983-L987 WeakPolarHBondContact O-CA 3.13Å; C983-L987 PolarHBondContact O-N 2.76Å; C983-R989 WeakPolarHBondContact CB-O 3.39Å; C983-R989 PolarHBondContact N-O 2.86Å; C983-C1002 HydrophobicContact CB-CB 3.79Å; C983-C1002 PolarHBondContact SG-N 3.07Å
984	P	69.9	Low	74.3	Confident	32 Å²	32	65.8 Å²	65.8	21%	0.208	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	11.4	-173.5	33.2	-37.8	0	0	0	114.1	M887 G1000 T1001 I1014	M887-P984 WeakPolarHBondContact CE-O 3.49Å; P984-G1000 WeakPolarHBondContact CD-O 3.34Å; P984-T1001 HydrophobicContact CG-CG2 4.34Å; P984-I1014 HydrophobicContact CG-CD1 4.17Å
985	V	73.6	Confident	75.3	Confident	46 Å²	46	61.2 Å²	61.2	28%	0.279	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116	-43.7	-174.3	-171.8	0	0	0	0	111.4	C983 T1001 C1005 M1009 P1013	C983-V985 PolarHBondContact O-N 2.79Å; V985-T1001 HydrophobicContact CG2-CG2 3.91Å; V985-C1005 HydrophobicContact CB-CB 3.88Å; V985-C1005 HydrophobicContact CG1-CB 3.98Å; V985-C1005 HydrophobicContact CG2-CB 4.2Å; V985-M1009 HydrophobicContact CB-CE 4.19Å; V985-M1009 HydrophobicContact CG1-CE 3.64Å; V985-M1009 HydrophobicContact CG2-CE 3.43Å; V985-M1009 VanDerWaalsContact CG2-CE 3.43Å; V985-P1013 HydrophobicContact CG2-CB 4.49Å; V985-P1013 HydrophobicContact CG2-CG 4.07Å
986	C	73.5	Confident	75.8	Confident	32 Å²	32	63.7 Å²	63.7	22%	0.216	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	-26.1	175.5	62.4	0	0	0	0	113.6	D988	C986-D988 HydrophobicContact CB-CB 4.49Å; C986-D988 VanDerWaalsContact O-CG 3.26Å; C986-D988 PolarHBondContact O-N 2.92Å; C986-D988 VanDerWaalsContact O-N 3.08Å
987	L	71.5	Confident	76.3	Confident	41 Å²	41	62.4 Å²	62.4	22%	0.215	31%	0.313	C	S	.	.	S	Bend	trans	58.7	7.5	-171.1	-53.3	172	0	0	0	114.8	M887 C983	M887-L987 HydrophobicContact SD-CD1 4.39Å; C983-L987 WeakPolarHBondContact O-CA 3.13Å; C983-L987 PolarHBondContact O-N 2.76Å
988	D	70.1	Confident	76.4	Confident	110 Å²	110	60.1 Å²	60.1	59%	0.588	32%	0.315	S	S	*	.	S	Bend	trans	-113.9	1.7	-172.7	-60	-29.4	0	0	0	113.2	K889 C986	K889-D988 IonicContact NZ-OD1 3.64Å; K889-D988 PolarHBondContact NZ-OD1 3.28Å; K889-D988 IonicContact NZ-OD2 3.5Å; K889-D988 PolarHBondContact NZ-OD2 3.08Å; C986-D988 HydrophobicContact CB-CB 4.49Å; C986-D988 VanDerWaalsContact O-CG 3.26Å; C986-D988 PolarHBondContact O-N 2.92Å; C986-D988 VanDerWaalsContact O-N 3.08Å
989	R	76.7	Confident	77.3	Confident	147 Å²	147	58.1 Å²	58.1	56%	0.555	31%	0.307	S	S	*	.	S	Bend	trans	-148.5	150.6	-178.2	-62.7	-172.9	-178.9	-138	-0.9	111.1	C983 C1002	C983-R989 WeakPolarHBondContact CB-O 3.39Å; C983-R989 PolarHBondContact N-O 2.86Å; R989-C1002 HydrophobicContact CB-CB 3.94Å
990	L	80	Confident	77.8	Confident	98 Å²	98	55.5 Å²	55.5	51%	0.513	30%	0.298	S	S	.	.	B	Isolated β-bridge	trans	-69.3	157	178.2	-61.6	177.1	0	0	0	113.5	T981 M982 N992 C1002	T981-L990 WeakPolarHBondContact O-CA 3.19Å; M982-L990 HydrophobicContact CG-CD2 4.29Å; L990-N992 PolarHBondContact O-N 3.01Å; L990-N992 VanDerWaalsContact O-N 3.17Å; L990-C1002 WeakPolarHBondContact O-CB 3.35Å
991	K	84.5	Confident	78.4	Confident	64 Å²	64	49 Å²	49	28%	0.278	27%	0.268	S	S	.	.			trans	-74.2	94.3	174.9	-65.3	171.5	-173.3	171.4	0	110.7	Q980 T981 M982 T1001 Y1026	Q980-K991 VanDerWaalsContact O-CE 3.31Å; Q980-K991 WeakPolarHBondContact O-CE 3.25Å; Q980-K991 PolarHBondContact O-NZ 3.42Å; T981-K991 WeakPolarHBondContact O-CG 3.13Å; T981-K991 PolarHBondContact O-N 2.99Å; M982-K991 WeakPolarHBondContact O-CE 3.41Å; K991-T1001 CarbonylContact C-O 3.58Å; K991-T1001 WeakPolarHBondContact CA-O 3.45Å; K991-Y1026 PolarHBondContact O-OH 3.46Å
992	N	85.6	Confident	79	Confident	28 Å²	28	46 Å²	46	15%	0.15	25%	0.25	C	C	.	.			trans	-101.4	0.4	176	82	-50.7	0	0	0	114.7	L990 T1001 C1002 Q1003 L1024 L1025 Y1026	L990-N992 PolarHBondContact O-N 3.01Å; L990-N992 VanDerWaalsContact O-N 3.17Å; N992-T1001 PolarHBondContact N-O 3.38Å; N992-T1001 VanDerWaalsContact N-O 3.16Å; N992-C1002 WeakPolarHBondContact OD1-CA 3.13Å; N992-Q1003 PolarHBondContact OD1-N 2.8Å; N992-L1024 WeakPolarHBondContact O-CA 3.32Å; N992-L1025 PolarHBondContact O-N 2.68Å; N992-Y1026 WeakPolarHBondContact CA-OH 3.4Å; N992-Y1026 HydrophobicContact CB-CD2 3.95Å; N992-Y1026 HydrophobicContact CB-CE1 4.05Å; N992-Y1026 HydrophobicContact CB-CE2 3.34Å; N992-Y1026 PolarHBondContact N-OH 3.31Å
993	M	80.9	Confident	79.2	Confident	4 Å²	4	48.3 Å²	48.3	2%	0.02	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	133.3	-177.4	-168.3	169.1	68.5	0	0	112.4	F995 G1000 T1001 G1006 R1022 I1023 L1024	M993-F995 HydrophobicContact CE-CE1 4.17Å; M993-G1000 CarbonylContact O-C 3.44Å; M993-G1000 VanDerWaalsContact O-CA 3.25Å; M993-G1000 WeakPolarHBondContact O-CA 3.49Å; M993-T1001 PolarHBondContact N-O 3.13Å; M993-T1001 PolarHBondContact O-N 2.91Å; M993-G1006 VanDerWaalsContact CE-C 3.49Å; M993-G1006 VanDerWaalsContact CE-CA 3.42Å; M993-R1022 HydrophobicContact CE-CG 4.3Å; M993-R1022 HydrophobicContact CG-CB 4.34Å; M993-R1022 HydrophobicContact SD-CB 3.81Å; M993-R1022 HydrophobicContact SD-CG 4.2Å; M993-I1023 CarbonylContact C-O 3.57Å; M993-I1023 WeakPolarHBondContact CA-O 3.42Å; M993-I1023 WeakPolarHBondContact CG-O 3.07Å; M993-L1024 HydrophobicContact CB-CD2 3.99Å; M993-L1024 HydrophobicContact CG-CD2 4.11Å; M993-L1024 HydrophobicContact SD-CD2 4.15Å
994	I	86.1	Confident	79.3	Confident	52 Å²	52	52.8 Å²	52.8	27%	0.267	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	147.2	176.4	-79	-177.5	0	0	0	111.2	H999 I1023 L1025	I994-H999 WeakPolarHBondContact CA-O 3.36Å; I994-I1023 PolarHBondContact N-O 2.92Å; I994-I1023 PolarHBondContact O-N 3.21Å; I994-L1025 HydrophobicContact CB-CD2 4.39Å; I994-L1025 HydrophobicContact CD1-CD1 3.81Å; I994-L1025 HydrophobicContact CD1-CD2 4.13Å; I994-L1025 HydrophobicContact CD1-CG 4.42Å; I994-L1025 HydrophobicContact CG1-CD1 3.95Å; I994-L1025 HydrophobicContact CG1-CD2 4.36Å; I994-L1025 HydrophobicContact CG1-CG 4.35Å
995	F	85.6	Confident	79.7	Confident	3 Å²	3	52.4 Å²	52.4	1%	0.013	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	159.1	171.2	-47.3	-59.3	0	0	0	111.1	M993 C997 G998 H999 T1001 C1012 I1019 R1022	M993-F995 HydrophobicContact CE-CE1 4.17Å; F995-C997 PolarHBondContact O-N 3Å; F995-G998 PolarHBondContact O-N 3.34Å; F995-H999 HydrophobicContact CD2-CB 4.45Å; F995-H999 VanDerWaalsContact CD2-O 3.25Å; F995-H999 WeakPolarHBondContact CD2-O 3.34Å; F995-H999 PolarHBondContact N-O 2.84Å; F995-T1001 HydrophobicContact CE2-CG2 3.77Å; F995-T1001 HydrophobicContact CZ-CG2 3.98Å; F995-T1001 WeakPolarHBondContact CZ-OG1 3.47Å; F995-C1012 HydrophobicContact CD2-CB 4.26Å; F995-I1019 HydrophobicContact CD1-CB 4.33Å; F995-I1019 HydrophobicContact CD1-CD1 3.92Å; F995-I1019 HydrophobicContact CD1-CG1 3.91Å; F995-I1019 HydrophobicContact CD1-CG2 3.4Å; F995-I1019 HydrophobicContact CD2-CD1 4.47Å; F995-I1019 HydrophobicContact CE1-CD1 3.55Å; F995-I1019 HydrophobicContact CE1-CG1 4.08Å; F995-I1019 HydrophobicContact CE1-CG2 3.85Å; F995-I1019 HydrophobicContact CE2-CD1 4.16Å; F995-I1019 HydrophobicContact CG-CD1 4.36Å; F995-I1019 HydrophobicContact CG-CG1 4.12Å; F995-I1019 HydrophobicContact CG-CG2 4.18Å; F995-I1019 HydrophobicContact CZ-CD1 3.67Å; F995-I1019 HydrophobicContact CZ-CG1 4.46Å; F995-R1022 HydrophobicContact CD1-CG 4Å; F995-R1022 HydrophobicContact CE1-CG 4.05Å
996	M	76.6	Confident	80	Confident	112 Å²	112	50.2 Å²	50.2	55%	0.552	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-21	177.8	-69.5	-60.2	-60	0	0	115.3	G998 R1021 I1023	M996-G998 PolarHBondContact O-N 2.82Å; M996-R1021 HydrophobicContact CG-CB 3.55Å; M996-R1021 PolarHBondContact N-O 3.01Å; M996-R1021 HydrophobicContact SD-CB 4.07Å; M996-I1023 HydrophobicContact SD-CD1 4.03Å
997	C	76.4	Confident	80.2	Confident	35 Å²	35	52.5 Å²	52.5	24%	0.236	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	11.6	173.9	62.8	0	0	0	0	114.6	F995 H999 C1015 K1017	F995-C997 PolarHBondContact O-N 3Å; C997-H999 VanDerWaalsContact C-N 3.31Å; C997-H999 PolarHBondContact O-CE1 2.74Å; C997-H999 PolarHBondContact O-N 2.9Å; C997-H999 PolarHBondContact O-ND1 3.25Å; C997-C1015 VanDerWaalsContact CB-SG 3.52Å; C997-C1015 PolarHBondContact SG-SG 3.26Å; C997-K1017 HydrophobicContact CB-CD 4.27Å
998	G	73.9	Confident	80.4	Confident	56 Å²	56	61 Å²	61	58%	0.577	31%	0.307	S	S	*	.	S	Bend	trans	81.2	-2.6	177.8	0	0	0	0	0	115.8	F995 M996	F995-G998 PolarHBondContact O-N 3.34Å; M996-G998 PolarHBondContact O-N 2.82Å
999	H	84.4	Confident	80.6	Confident	59 Å²	59	57.9 Å²	57.9	27%	0.273	29%	0.289	S	S	.	.			trans	-96.8	137.6	-171.1	-68.4	89	0	0	0	112.9	I994 F995 C997 C1012 I1014	I994-H999 WeakPolarHBondContact CA-O 3.36Å; F995-H999 HydrophobicContact CD2-CB 4.45Å; F995-H999 VanDerWaalsContact CD2-O 3.25Å; F995-H999 WeakPolarHBondContact CD2-O 3.34Å; F995-H999 PolarHBondContact N-O 2.84Å; C997-H999 VanDerWaalsContact C-N 3.31Å; C997-H999 PolarHBondContact O-CE1 2.74Å; C997-H999 PolarHBondContact O-N 2.9Å; C997-H999 PolarHBondContact O-ND1 3.25Å; H999-C1012 VanDerWaalsContact CB-SG 3.59Å; H999-I1014 HydrophobicContact CB-CD1 4.28Å; H999-I1014 WeakPolarHBondContact CD2-CG2 3.38Å; H999-I1014 WeakPolarHBondContact NE2-CG2 3.19Å
1000	G	79.9	Confident	80.4	Confident	11 Å²	11	55.3 Å²	55.3	11%	0.113	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	144.3	-173	0	0	0	0	0	116.2	P984 M993	P984-G1000 WeakPolarHBondContact CD-O 3.34Å; M993-G1000 CarbonylContact O-C 3.44Å; M993-G1000 VanDerWaalsContact O-CA 3.25Å; M993-G1000 WeakPolarHBondContact O-CA 3.49Å
1001	T	85.5	Confident	80.2	Confident	1 Å²	1	55.8 Å²	55.8	1%	0.006	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	175.6	173.8	58.3	0	0	0	0	110.2	P984 V985 K991 N992 M993 F995 P1013	P984-T1001 HydrophobicContact CG-CG2 4.34Å; V985-T1001 HydrophobicContact CG2-CG2 3.91Å; K991-T1001 CarbonylContact C-O 3.58Å; K991-T1001 WeakPolarHBondContact CA-O 3.45Å; N992-T1001 PolarHBondContact N-O 3.38Å; N992-T1001 VanDerWaalsContact N-O 3.16Å; M993-T1001 PolarHBondContact N-O 3.13Å; M993-T1001 PolarHBondContact O-N 2.91Å; F995-T1001 HydrophobicContact CE2-CG2 3.77Å; F995-T1001 HydrophobicContact CZ-CG2 3.98Å; F995-T1001 WeakPolarHBondContact CZ-OG1 3.47Å; T1001-P1013 HydrophobicContact CG2-CG 4.06Å
1002	C	87.7	Confident	79.8	Confident	4 Å²	4	52.8 Å²	52.8	3%	0.027	28%	0.281	C	S	.	.			trans	-84.3	148	161.9	72.7	0	0	0	0	110	C983 R989 L990 N992 L1004 C1005 G1006	C983-C1002 HydrophobicContact CB-CB 3.79Å; C983-C1002 PolarHBondContact SG-N 3.07Å; R989-C1002 HydrophobicContact CB-CB 3.94Å; L990-C1002 WeakPolarHBondContact O-CB 3.35Å; N992-C1002 WeakPolarHBondContact OD1-CA 3.13Å; C1002-L1004 PolarHBondContact O-N 3.3Å; C1002-C1005 WeakPolarHBondContact O-CB 3.47Å; C1002-C1005 PolarHBondContact O-N 3.43Å; C1002-G1006 PolarHBondContact O-N 2.96Å
1003	Q	82.8	Confident	78.7	Confident	80 Å²	80	53.2 Å²	53.2	37%	0.374	29%	0.285	S	S	.	.	H	α-helix	trans	-44.7	-58.3	-177.3	-177	171.6	9.5	0	0	113.2	N992 C1005 G1006 D1007 L1024	N992-Q1003 PolarHBondContact OD1-N 2.8Å; Q1003-C1005 PolarHBondContact O-N 3.45Å; Q1003-G1006 PolarHBondContact O-N 2.78Å; Q1003-G1006 VanDerWaalsContact O-N 3.07Å; Q1003-D1007 WeakPolarHBondContact CG-OD2 3.46Å; Q1003-D1007 WeakPolarHBondContact O-CB 3.37Å; Q1003-D1007 PolarHBondContact O-N 3.08Å; Q1003-L1024 HydrophobicContact CB-CD2 4.1Å; Q1003-L1024 HydrophobicContact CG-CD2 4.08Å
1004	L	79.8	Confident	78.2	Confident	93 Å²	93	56.8 Å²	56.8	49%	0.487	30%	0.303	S	S	.	.	H	α-helix	trans	-55.8	-23.6	-180	-66.6	-171.6	0	0	0	115.3	C1002	C1002-L1004 PolarHBondContact O-N 3.3Å
1005	C	77.4	Confident	77.6	Confident	24 Å²	24	56.6 Å²	56.6	16%	0.162	31%	0.306	C	S	.	.	H	α-helix	trans	-87.1	-49	174.6	-70.2	0	0	0	0	111.5	V985 C1002 Q1003 D1007 R1008 M1009	V985-C1005 HydrophobicContact CB-CB 3.88Å; V985-C1005 HydrophobicContact CG1-CB 3.98Å; V985-C1005 HydrophobicContact CG2-CB 4.2Å; C1002-C1005 WeakPolarHBondContact O-CB 3.47Å; C1002-C1005 PolarHBondContact O-N 3.43Å; Q1003-C1005 PolarHBondContact O-N 3.45Å; C1005-D1007 PolarHBondContact O-N 3.47Å; C1005-R1008 PolarHBondContact O-N 2.74Å; C1005-M1009 WeakPolarHBondContact O-CG 3.34Å
1006	G	80	Confident	76.8	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-73.3	-22.2	-176.2	0	0	0	0	0	115	M993 C1002 Q1003 R1008 M1009 R1022	M993-G1006 VanDerWaalsContact CE-C 3.49Å; M993-G1006 VanDerWaalsContact CE-CA 3.42Å; C1002-G1006 PolarHBondContact O-N 2.96Å; Q1003-G1006 PolarHBondContact O-N 2.78Å; Q1003-G1006 VanDerWaalsContact O-N 3.07Å; G1006-R1008 PolarHBondContact O-N 2.77Å; G1006-M1009 PolarHBondContact O-N 3.04Å; G1006-R1022 PolarHBondContact O-NE 2.79Å
1007	D	78.1	Confident	76.6	Confident	80 Å²	80	65.7 Å²	65.7	43%	0.428	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-26.5	173.7	-68.3	-18.8	0	0	0	112	Q1003 C1005	Q1003-D1007 WeakPolarHBondContact CG-OD2 3.46Å; Q1003-D1007 WeakPolarHBondContact O-CB 3.37Å; Q1003-D1007 PolarHBondContact O-N 3.08Å; C1005-D1007 PolarHBondContact O-N 3.47Å
1008	R	76.3	Confident	76.6	Confident	221 Å²	221	67.2 Å²	67.2	83%	0.834	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	10.2	-179.6	-60	-175.6	-179.4	-140	-0.9	113.6	C1005 G1006	C1005-R1008 PolarHBondContact O-N 2.74Å; G1006-R1008 PolarHBondContact O-N 2.77Å
1009	M	73.3	Confident	76.9	Confident	43 Å²	43	65.3 Å²	65.3	21%	0.212	33%	0.33	C	S	.	.			trans	-119	132.1	-173.2	-61.1	-109	-135.2	0	0	111.1	V985 C1005 G1006 P1013 I1019 R1022	V985-M1009 HydrophobicContact CB-CE 4.19Å; V985-M1009 HydrophobicContact CG1-CE 3.64Å; V985-M1009 HydrophobicContact CG2-CE 3.43Å; V985-M1009 VanDerWaalsContact CG2-CE 3.43Å; C1005-M1009 WeakPolarHBondContact O-CG 3.34Å; G1006-M1009 PolarHBondContact O-N 3.04Å; M1009-P1013 HydrophobicContact CE-CB 3.82Å; M1009-P1013 HydrophobicContact CE-CG 3.72Å; M1009-I1019 HydrophobicContact CB-CD1 3.78Å; M1009-I1019 WeakPolarHBondContact O-CD1 3.12Å; M1009-R1022 PolarHBondContact O-NH2 2.89Å
1010	S	72.7	Confident	76.5	Confident	94 Å²	94	70.7 Å²	70.7	66%	0.657	36%	0.355	S	S	*	.	S	Bend	trans	-83	-30.3	168.7	47.7	0	0	0	0	112.9	I1019	S1010-I1019 PolarHBondContact O-N 3.31Å
1011	E	76.2	Confident	76.4	Confident	107 Å²	107	78.4 Å²	78.4	50%	0.5	38%	0.381	S	S	.	.	B	Isolated β-bridge	trans	-122.8	150.2	-176.7	-67.9	177.5	-164.6	0	0	112.1	I1019	E1011-I1019 WeakPolarHBondContact O-CD1 3.49Å
1012	C	76.3	Confident	76.5	Confident	2 Å²	2	82.9 Å²	82.9	1%	0.014	40%	0.398	C	S	.	.			trans	-67.7	123.7	175.9	177.5	0	0	0	0	110.7	F995 H999 I1014 R1016 K1017	F995-C1012 HydrophobicContact CD2-CB 4.26Å; H999-C1012 VanDerWaalsContact CB-SG 3.59Å; C1012-I1014 PolarHBondContact O-N 3.14Å; C1012-I1014 VanDerWaalsContact O-N 3.08Å; C1012-R1016 VanDerWaalsContact O-CA 3.24Å; C1012-R1016 WeakPolarHBondContact O-CA 3.31Å; C1012-R1016 PolarHBondContact O-N 2.89Å; C1012-K1017 PolarHBondContact N-O 2.91Å
1013	P	61.8	Low	76.2	Confident	36 Å²	36	86.4 Å²	86.4	23%	0.234	42%	0.415	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-16	-176.3	27.8	-37.2	0	0	0	114.3	V985 T1001 M1009	V985-P1013 HydrophobicContact CG2-CB 4.49Å; V985-P1013 HydrophobicContact CG2-CG 4.07Å; T1001-P1013 HydrophobicContact CG2-CG 4.06Å; M1009-P1013 HydrophobicContact CE-CB 3.82Å; M1009-P1013 HydrophobicContact CE-CG 3.72Å
1014	I	71.6	Confident	76.3	Confident	79 Å²	79	86.8 Å²	86.8	41%	0.405	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-57.9	-179.8	-59.2	172.8	0	0	0	110.6	P984 H999 C1012	P984-I1014 HydrophobicContact CG-CD1 4.17Å; H999-I1014 HydrophobicContact CB-CD1 4.28Å; H999-I1014 WeakPolarHBondContact CD2-CG2 3.38Å; H999-I1014 WeakPolarHBondContact NE2-CG2 3.19Å; C1012-I1014 PolarHBondContact O-N 3.14Å; C1012-I1014 VanDerWaalsContact O-N 3.08Å
1015	C	72.3	Confident	75.9	Confident	48 Å²	48	86.9 Å²	86.9	32%	0.324	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-1.7	-173.9	71.6	0	0	0	0	115.8	C997 K1017	C997-C1015 VanDerWaalsContact CB-SG 3.52Å; C997-C1015 PolarHBondContact SG-SG 3.26Å; C1015-K1017 PolarHBondContact O-N 3.09Å
1016	R	69.9	Low	75.3	Confident	164 Å²	164	94.6 Å²	94.6	62%	0.619	45%	0.447	S	S	*	.			trans	55.7	16.5	178	-52.9	-173.3	-174.8	-167.3	-0.9	116.8	C1012	C1012-R1016 VanDerWaalsContact O-CA 3.24Å; C1012-R1016 WeakPolarHBondContact O-CA 3.31Å; C1012-R1016 PolarHBondContact O-N 2.89Å
1017	K	72.4	Confident	75	Confident	142 Å²	142	99.3 Å²	99.3	62%	0.617	47%	0.469	S	S	*	.			trans	-71.1	145.8	163.7	-65.7	-171.5	176.6	-172.3	0	109.9	C997 C1012 C1015	C997-K1017 HydrophobicContact CB-CD 4.27Å; C1012-K1017 PolarHBondContact N-O 2.91Å; C1015-K1017 PolarHBondContact O-N 3.09Å
1018	A	75.5	Confident	74.9	Confident	67 Å²	67	100.3 Å²	100.3	55%	0.554	47%	0.471	S	S	*	.	B	Isolated β-bridge	trans	-57.8	145.1	170.7	0	0	0	0	0	111	E1020	A1018-E1020 PolarHBondContact O-N 3.19Å
1019	I	81.9	Confident	74.8	Confident	17 Å²	17	93.6 Å²	93.6	9%	0.087	45%	0.451	C	S	.	.			trans	-89.4	83.6	-178.5	-61.2	163.9	0	0	0	109.4	F995 M1009 S1010 E1011 R1022	F995-I1019 HydrophobicContact CD1-CB 4.33Å; F995-I1019 HydrophobicContact CD1-CD1 3.92Å; F995-I1019 HydrophobicContact CD1-CG1 3.91Å; F995-I1019 HydrophobicContact CD1-CG2 3.4Å; F995-I1019 HydrophobicContact CD2-CD1 4.47Å; F995-I1019 HydrophobicContact CE1-CD1 3.55Å; F995-I1019 HydrophobicContact CE1-CG1 4.08Å; F995-I1019 HydrophobicContact CE1-CG2 3.85Å; F995-I1019 HydrophobicContact CE2-CD1 4.16Å; F995-I1019 HydrophobicContact CG-CD1 4.36Å; F995-I1019 HydrophobicContact CG-CG1 4.12Å; F995-I1019 HydrophobicContact CG-CG2 4.18Å; F995-I1019 HydrophobicContact CZ-CD1 3.67Å; F995-I1019 HydrophobicContact CZ-CG1 4.46Å; M1009-I1019 HydrophobicContact CB-CD1 3.78Å; M1009-I1019 WeakPolarHBondContact O-CD1 3.12Å; S1010-I1019 PolarHBondContact O-N 3.31Å; E1011-I1019 WeakPolarHBondContact O-CD1 3.49Å; I1019-R1022 HydrophobicContact CG2-CG 3.62Å
1020	E	75.8	Confident	74.9	Confident	171 Å²	171	96.6 Å²	96.6	80%	0.799	47%	0.465	S	S	*	.			trans	-64.3	-37.7	176.1	-65.6	165.9	-170.4	0	0	112.6	A1018	A1018-E1020 PolarHBondContact O-N 3.19Å
1021	R	77.5	Confident	75	Confident	174 Å²	174	96.8 Å²	96.8	66%	0.657	45%	0.453	S	S	*	.			trans	-147.8	143.4	178.8	-142.4	175.6	-179.4	173.1	0.2	111.5	M996	M996-R1021 HydrophobicContact CG-CB 3.55Å; M996-R1021 PolarHBondContact N-O 3.01Å; M996-R1021 HydrophobicContact SD-CB 4.07Å
1022	R	86.7	Confident	74.9	Confident	95 Å²	95	96.1 Å²	96.1	36%	0.358	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	136.9	173.7	-66.6	172	-167.3	70.6	5.4	108.2	M993 F995 G1006 M1009 I1019	M993-R1022 HydrophobicContact CE-CG 4.3Å; M993-R1022 HydrophobicContact CG-CB 4.34Å; M993-R1022 HydrophobicContact SD-CB 3.81Å; M993-R1022 HydrophobicContact SD-CG 4.2Å; F995-R1022 HydrophobicContact CD1-CG 4Å; F995-R1022 HydrophobicContact CE1-CG 4.05Å; G1006-R1022 PolarHBondContact O-NE 2.79Å; M1009-R1022 PolarHBondContact O-NH2 2.89Å; I1019-R1022 HydrophobicContact CG2-CG 3.62Å
1023	I	82.1	Confident	74.8	Confident	77 Å²	77	102.8 Å²	102.8	40%	0.395	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	117	-178.4	-57.7	175.3	0	0	0	107.5	M993 I994 M996	M993-I1023 CarbonylContact C-O 3.57Å; M993-I1023 WeakPolarHBondContact CA-O 3.42Å; M993-I1023 WeakPolarHBondContact CG-O 3.07Å; I994-I1023 PolarHBondContact N-O 2.92Å; I994-I1023 PolarHBondContact O-N 3.21Å; M996-I1023 HydrophobicContact SD-CD1 4.03Å
1024	L	83.9	Confident	75.8	Confident	89 Å²	89	107.9 Å²	107.9	47%	0.466	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	139.7	170.1	-70	163.1	0	0	0	109.2	N992 M993 Q1003	N992-L1024 WeakPolarHBondContact O-CA 3.32Å; M993-L1024 HydrophobicContact CB-CD2 3.99Å; M993-L1024 HydrophobicContact CG-CD2 4.11Å; M993-L1024 HydrophobicContact SD-CD2 4.15Å; Q1003-L1024 HydrophobicContact CB-CD2 4.1Å; Q1003-L1024 HydrophobicContact CG-CD2 4.08Å
1025	L	71.6	Confident	76.2	Confident	95 Å²	95	110.3 Å²	110.3	50%	0.497	51%	0.508	S	S	.	.			trans	-94.7	-28.5	-177.1	-64.8	-179.6	0	0	0	113.2	N992 I994	N992-L1025 PolarHBondContact O-N 2.68Å; I994-L1025 HydrophobicContact CB-CD2 4.39Å; I994-L1025 HydrophobicContact CD1-CD1 3.81Å; I994-L1025 HydrophobicContact CD1-CD2 4.13Å; I994-L1025 HydrophobicContact CD1-CG 4.42Å; I994-L1025 HydrophobicContact CG1-CD1 3.95Å; I994-L1025 HydrophobicContact CG1-CD2 4.36Å; I994-L1025 HydrophobicContact CG1-CG 4.35Å
1026	Y	64.8	Low	76.6	Confident	185 Å²	185	116 Å²	116	73%	0.725	53%	0.525	S	S	*	.			trans	-164.8	0	-177.6	52.1	-93.8	0	0	0	109	K991 N992	K991-Y1026 PolarHBondContact O-OH 3.46Å; N992-Y1026 WeakPolarHBondContact CA-OH 3.4Å; N992-Y1026 HydrophobicContact CB-CD2 3.95Å; N992-Y1026 HydrophobicContact CB-CE1 4.05Å; N992-Y1026 HydrophobicContact CB-CE2 3.34Å; N992-Y1026 PolarHBondContact N-OH 3.31Å

Retrieved 1,026 of 1,026 residues in 6259.5 ms (Link to these results)

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