A0A087YJS4_POEFO Loading...

Diacylglycerol kinase

AlphaFold DB , UniProt , Accession A0A087YJS4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 872 aa.

						>A0A087YJS4_POEFO|A0A087YJS4
MGEMNWECLSPAEFSQLQQYTEYSTKNLKDVLEEFREGGVLSKYNPAQMQDVLNQPIDYEGFQLFMATYLENTIPEELCQHLFTSFKSKTGRCSPDHPQPGTSLKGMNGKSILTAMGLHTSENSTTRSAAGSGASTSSSQRSGTAANAPGGPYRSPGAQVKPSASTSNALTPSAGSSKSAGTPKLQSEKSNSEKQVSLLKSPLSQEGSTQTSPQVVFLKDIVCYLSLLERGTPEDKLEFMFRLYDTDGNGLLDSSELDHIINQMVHVAEYLEWDSTELRPILKEMMKEIDLNRDGTVTLEEWIRGGLTTIPLLVLLGMDANVQEDGQHVWRLKHFNKPAFCNYCHAMLLGVRKQGLCCSTCKYTVHERCVSKNIAACISTYAKSRKHTSVMQHVWIEGNSPSKCERCFRNIKGYQTLTGLHCVWCQATYHNKCASSMKAECDGGTLKDHILLPSYICPAVLDRHSTAKRGEGESTPNTSPDDASKTFKFPPVDRQTLQITPLPGTHPLLVLVNPKSGGRQGERVFRKFRYLLNPRQVYTLEHGGPMNGLNFFHDVPDFRVLACGGDGTVGWILDCIDKANFTRYPPVAILPLGTGNDLARCLHWGGGYEGGNLMTILKNIEHSTKVVLDRWNINIVPDDKEEKGDPVPYSIINNYFSVGVDASIAHRFHMMREKHPEKFNSRMKNKLWYFEFGTTETISATCKKLNECIELECDGIILDLSNISLEGIAILNIPSMHGGSNLWGESKKRRTYNRMSKKVADKTPGSTVTDPKELKFCVQDFSDQLLEVVGLEGAIEMGQIYTGLKSAGHRLAQCANVTIRTSRRLPMQIDGEPWMQPPCTVIITHKNQVPMLMGPPQKTSFFTFKKRNFSRE
					

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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	28.5	Very low	41	Very low	246 Å²	246	127.3 Å²	127.3	100%	1.212	68%	0.682	S	S	*	*				0	135.4	0	-69.7	154.9	179.3	0	0	106.1
2	G	29.1	Very low	41.9	Very low	76 Å²	76	122.4 Å²	122.4	78%	0.784	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-73.3	150	-170.8	0	0	0	0	0	112.7
3	E	27.8	Very low	43.1	Very low	185 Å²	185	116 Å²	116	86%	0.864	64%	0.635	S	S	*	*	P	Polyproline II helix	trans	-65.5	135.7	162	-62	-179.1	112.8	0	0	108.4	N5	E3-N5 PolarHBondContact O-N 2.95Å
4	M	31.7	Very low	44.1	Very low	176 Å²	176	111.4 Å²	111.4	87%	0.867	61%	0.606	S	S	*	*	P	Polyproline II helix	trans	-68.7	132.6	179.7	-79.1	171.7	149.6	0	0	110.9
5	N	35.4	Very low	44.8	Very low	149 Å²	149	107.7 Å²	107.7	80%	0.797	59%	0.592	S	S	*	*	P	Polyproline II helix	trans	-68.2	164.4	167.3	-80.3	-22.4	0	0	0	110.5	E3	E3-N5 PolarHBondContact O-N 2.95Å
6	W	40.3	Very low	46.1	Very low	167 Å²	167	105.1 Å²	105.1	63%	0.633	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-68.6	133.3	159.2	-65.4	71	0	0	0	108.5	S85	W6-S85 WeakPolarHBondContact CZ3-O 3.36Å
7	E	50.5	Low	47	Very low	158 Å²	158	98.9 Å²	98.9	74%	0.738	54%	0.54	S	S	*	.			trans	-107.2	116	167.3	-67	-173.3	162.7	0	0	107.7
8	C	52.1	Low	47.7	Very low	97 Å²	97	98 Å²	98	66%	0.655	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-78.8	145.5	174.5	-64	0	0	0	0	109.2	S10 Y270	C8-S10 PolarHBondContact O-N 3.37Å; C8-Y270 HydrophobicContact CB-CD2 4.36Å; C8-Y270 HydrophobicContact CB-CE2 4.4Å
9	L	52.8	Low	48.5	Very low	10 Å²	10	99.1 Å²	99.1	5%	0.052	53%	0.533	C	S	.	.	P	Polyproline II helix	trans	-52.9	128.1	173.7	-58.6	175.7	0	0	0	110.5	E13 H81 L82 Y224 Y270	L9-E13 HydrophobicContact CB-CB 4.48Å; L9-H81 HydrophobicContact CD2-CB 4.41Å; L9-L82 HydrophobicContact CD1-CD2 3.52Å; L9-L82 HydrophobicContact CD1-CG 4.43Å; L9-L82 HydrophobicContact CD2-CD2 3.95Å; L9-L82 HydrophobicContact CD2-CG 4.02Å; L9-L82 HydrophobicContact CG-CD2 4.32Å; L9-Y224 HydrophobicContact CD1-CE1 4.04Å; L9-Y270 HydrophobicContact CB-CE2 4.48Å; L9-Y270 VanDerWaalsContact O-CE2 3.26Å; L9-Y270 WeakPolarHBondContact O-CE2 3.45Å; L9-Y270 PolarHBondContact O-OH 3.28Å
10	S	54.7	Low	49.3	Very low	42 Å²	42	96.8 Å²	96.8	29%	0.294	52%	0.517	S	S	.	.	P	Polyproline II helix	trans	-61.9	155.1	174.7	68.8	0	0	0	0	110.9	C8 A12 E13 F14	C8-S10 PolarHBondContact O-N 3.37Å; S10-A12 PolarHBondContact O-N 3.41Å; S10-E13 WeakPolarHBondContact CB-OE2 3.2Å; S10-E13 PolarHBondContact N-OE2 2.63Å; S10-E13 PolarHBondContact O-N 2.84Å; S10-E13 VanDerWaalsContact O-N 3.09Å; S10-E13 WeakPolarHBondContact OG-CG 3.48Å; S10-E13 PolarHBondContact OG-N 2.94Å; S10-E13 PolarHBondContact OG-OE2 2.9Å; S10-F14 PolarHBondContact O-N 2.82Å
11	P	48.2	Very low	49.9	Very low	94 Å²	94	93.4 Å²	93.4	61%	0.61	50%	0.5	S	S	*	.	H	α-helix	trans	-56.7	-22	173.7	-27.7	36.1	0	0	0	113.8	S15	P11-S15 VanDerWaalsContact O-CB 3.31Å; P11-S15 WeakPolarHBondContact O-CB 3.26Å; P11-S15 PolarHBondContact O-N 3.19Å; P11-S15 VanDerWaalsContact O-N 3.09Å; P11-S15 PolarHBondContact O-OG 3.01Å
12	A	51.7	Low	51.2	Low	69 Å²	69	87 Å²	87	57%	0.57	47%	0.467	S	S	*	.	H	α-helix	trans	-73.9	-49.4	174	0	0	0	0	0	112	S10 F14 S15 Q16	S10-A12 PolarHBondContact O-N 3.41Å; A12-F14 VanDerWaalsContact C-N 3.31Å; A12-F14 PolarHBondContact O-N 2.67Å; A12-S15 PolarHBondContact O-N 3.5Å; A12-Q16 WeakPolarHBondContact O-CB 3.34Å; A12-Q16 PolarHBondContact O-N 2.88Å
13	E	57.1	Low	52.4	Low	39 Å²	39	92.5 Å²	92.5	18%	0.182	47%	0.465	C	S	.	.	H	α-helix	trans	-62.1	-38.9	176.3	-70.8	160.5	116	0	0	111.6	L9 S10 Q16 L17 L78 H81	L9-E13 HydrophobicContact CB-CB 4.48Å; S10-E13 WeakPolarHBondContact CB-OE2 3.2Å; S10-E13 PolarHBondContact N-OE2 2.63Å; S10-E13 PolarHBondContact O-N 2.84Å; S10-E13 VanDerWaalsContact O-N 3.09Å; S10-E13 WeakPolarHBondContact OG-CG 3.48Å; S10-E13 PolarHBondContact OG-N 2.94Å; S10-E13 PolarHBondContact OG-OE2 2.9Å; E13-Q16 WeakPolarHBondContact O-CB 3.46Å; E13-Q16 PolarHBondContact O-N 3.21Å; E13-L17 WeakPolarHBondContact O-CB 3.41Å; E13-L17 PolarHBondContact O-N 2.73Å; E13-L78 HydrophobicContact CB-CD1 3.71Å; E13-L78 HydrophobicContact CG-CD1 3.93Å; E13-H81 IonicContact OE1-CE1 2.87Å; E13-H81 IonicContact OE1-CG 2.89Å; E13-H81 IonicContact OE1-ND1 2.81Å; E13-H81 PolarHBondContact OE1-ND1 2.76Å
14	F	57.9	Low	54.2	Low	52 Å²	52	84.9 Å²	84.9	23%	0.228	43%	0.433	C	S	.	.	H	α-helix	trans	-64.3	-45.2	173.2	-175.7	-88.3	0	0	0	112.4	S10 A12 Q16 L17 Q18 Y224 L228 Y270	S10-F14 PolarHBondContact O-N 2.82Å; A12-F14 VanDerWaalsContact C-N 3.31Å; A12-F14 PolarHBondContact O-N 2.67Å; F14-Q16 PolarHBondContact O-N 2.87Å; F14-L17 PolarHBondContact O-N 2.76Å; F14-Q18 WeakPolarHBondContact O-CB 3.49Å; F14-Q18 PolarHBondContact O-N 2.7Å; F14-Y224 WeakPolarHBondContact CD2-OH 3.48Å; F14-Y224 HydrophobicContact CE2-CE1 4.43Å; F14-L228 HydrophobicContact CD2-CD2 4.47Å; F14-L228 HydrophobicContact CE1-CD2 4.18Å; F14-L228 HydrophobicContact CE2-CD2 3.65Å; F14-L228 HydrophobicContact CZ-CD2 3.47Å; F14-L228 VanDerWaalsContact CZ-CD2 3.47Å; F14-Y270 VanDerWaalsContact CB-OH 3.23Å; F14-Y270 WeakPolarHBondContact CB-OH 3.18Å; F14-Y270 AromaticContact CD2-CE1 3.79Å; F14-Y270 HydrophobicContact CD2-CE1 3.79Å; F14-Y270 AromaticContact CD2-CZ 3.9Å; F14-Y270 AromaticContact CE2-CE1 3.96Å; F14-Y270 HydrophobicContact CE2-CE1 3.96Å; F14-Y270 HydrophobicContact CG-CE1 4.24Å
15	S	54.5	Low	55.8	Low	56 Å²	56	82.3 Å²	82.3	39%	0.392	43%	0.427	S	S	.	.	H	α-helix	trans	-62.3	-33.4	174.7	-61.5	0	0	0	0	112.1	P11 A12 Q19	P11-S15 VanDerWaalsContact O-CB 3.31Å; P11-S15 WeakPolarHBondContact O-CB 3.26Å; P11-S15 PolarHBondContact O-N 3.19Å; P11-S15 VanDerWaalsContact O-N 3.09Å; P11-S15 PolarHBondContact O-OG 3.01Å; A12-S15 PolarHBondContact O-N 3.5Å; S15-Q19 WeakPolarHBondContact O-CG 3.43Å; S15-Q19 PolarHBondContact O-N 2.94Å; S15-Q19 VanDerWaalsContact O-N 3.13Å
16	Q	65.2	Low	57.4	Low	66 Å²	66	78 Å²	78	31%	0.308	40%	0.401	S	S	.	.	H	α-helix	trans	-72.2	-43.2	176.1	-169.6	-176.6	-3	0	0	111.6	A12 E13 F14 Q18 Q19 Y20 L78	A12-Q16 WeakPolarHBondContact O-CB 3.34Å; A12-Q16 PolarHBondContact O-N 2.88Å; E13-Q16 WeakPolarHBondContact O-CB 3.46Å; E13-Q16 PolarHBondContact O-N 3.21Å; F14-Q16 PolarHBondContact O-N 2.87Å; Q16-Q18 VanDerWaalsContact C-N 3.33Å; Q16-Q18 PolarHBondContact O-N 3.39Å; Q16-Q19 WeakPolarHBondContact O-CB 3.44Å; Q16-Q19 PolarHBondContact O-N 3.49Å; Q16-Y20 HydrophobicContact CG-CD2 4.28Å; Q16-Y20 HydrophobicContact CG-CE2 3.71Å; Q16-Y20 WeakPolarHBondContact O-CD2 3.34Å; Q16-Y20 PolarHBondContact O-N 2.79Å; Q16-Y20 VanDerWaalsContact O-N 3.08Å; Q16-L78 HydrophobicContact CG-CD2 4.47Å
17	L	62	Low	59	Low	0 Å²	0	73.1 Å²	73.1	0%	0	39%	0.387	C	S	.	.	H	α-helix	trans	-61.1	-41.7	173.7	-177.1	61.2	0	0	0	111.6	E13 F14 Q19 Y20 T21 M66 L70 L82 L225 L228	E13-L17 WeakPolarHBondContact O-CB 3.41Å; E13-L17 PolarHBondContact O-N 2.73Å; F14-L17 PolarHBondContact O-N 2.76Å; L17-Q19 VanDerWaalsContact C-N 3.33Å; L17-Q19 PolarHBondContact O-N 2.94Å; L17-Y20 PolarHBondContact O-N 3.16Å; L17-T21 PolarHBondContact O-N 3.41Å; L17-M66 HydrophobicContact CD1-CE 3.93Å; L17-L70 HydrophobicContact CD1-CD1 3.89Å; L17-L70 HydrophobicContact CD1-CD2 4.33Å; L17-L82 HydrophobicContact CD1-CD1 4.45Å; L17-L82 HydrophobicContact CD2-CD2 3.99Å; L17-L225 HydrophobicContact CD2-CD2 4.2Å; L17-L228 HydrophobicContact CD2-CD1 3.72Å; L17-L228 HydrophobicContact CG-CD1 3.87Å
18	Q	59.1	Low	60	Low	82 Å²	82	65.6 Å²	65.6	38%	0.383	35%	0.352	S	S	.	.	H	α-helix	trans	-61.7	-39.3	174.8	-170.2	173	35.8	0	0	111.9	F14 Q16 T21 E22	F14-Q18 WeakPolarHBondContact O-CB 3.49Å; F14-Q18 PolarHBondContact O-N 2.7Å; Q16-Q18 VanDerWaalsContact C-N 3.33Å; Q16-Q18 PolarHBondContact O-N 3.39Å; Q18-T21 WeakPolarHBondContact CA-OG1 3.37Å; Q18-T21 PolarHBondContact O-N 3.01Å; Q18-T21 PolarHBondContact O-OG1 2.81Å; Q18-E22 PolarHBondContact O-N 3.41Å
19	Q	62.2	Low	61.1	Low	119 Å²	119	68 Å²	68	56%	0.556	35%	0.351	S	S	*	.	H	α-helix	trans	-62.3	-40.7	173.4	-74.4	169.4	34	0	0	112.2	S15 Q16 L17 E22 Y23	S15-Q19 WeakPolarHBondContact O-CG 3.43Å; S15-Q19 PolarHBondContact O-N 2.94Å; S15-Q19 VanDerWaalsContact O-N 3.13Å; Q16-Q19 WeakPolarHBondContact O-CB 3.44Å; Q16-Q19 PolarHBondContact O-N 3.49Å; L17-Q19 VanDerWaalsContact C-N 3.33Å; L17-Q19 PolarHBondContact O-N 2.94Å; Q19-E22 PolarHBondContact O-N 2.82Å; Q19-Y23 WeakPolarHBondContact O-CD2 3.44Å; Q19-Y23 WeakPolarHBondContact O-CE2 3.35Å
20	Y	65.3	Low	62.3	Low	52 Å²	52	70.6 Å²	70.6	20%	0.204	37%	0.366	C	S	.	.	H	α-helix	trans	-64	-40.3	175.5	-70.7	-64	0	0	0	112.3	Q16 L17 E22 Y23 I74 L78	Q16-Y20 HydrophobicContact CG-CD2 4.28Å; Q16-Y20 HydrophobicContact CG-CE2 3.71Å; Q16-Y20 WeakPolarHBondContact O-CD2 3.34Å; Q16-Y20 PolarHBondContact O-N 2.79Å; Q16-Y20 VanDerWaalsContact O-N 3.08Å; L17-Y20 PolarHBondContact O-N 3.16Å; Y20-E22 VanDerWaalsContact C-N 3.26Å; Y20-E22 PolarHBondContact O-N 2.8Å; Y20-Y23 PolarHBondContact O-N 3.07Å; Y20-I74 HydrophobicContact CD1-CG2 4.47Å; Y20-I74 HydrophobicContact CD2-CG2 3.66Å; Y20-I74 HydrophobicContact CE2-CG2 3.76Å; Y20-I74 HydrophobicContact CG-CG2 4.05Å; Y20-L78 HydrophobicContact CE2-CD2 4.31Å
21	T	61.3	Low	63.6	Low	27 Å²	27	68.6 Å²	68.6	17%	0.166	35%	0.352	C	S	.	.	H	α-helix	trans	-66.3	-22.3	177	54.7	0	0	0	0	114.2	L17 Q18 Y23 Y69 L70 L228	L17-T21 PolarHBondContact O-N 3.41Å; Q18-T21 WeakPolarHBondContact CA-OG1 3.37Å; Q18-T21 PolarHBondContact O-N 3.01Å; Q18-T21 PolarHBondContact O-OG1 2.81Å; T21-Y23 PolarHBondContact O-N 3.08Å; T21-Y69 HydrophobicContact CG2-CE1 3.72Å; T21-L70 HydrophobicContact CG2-CD2 3.52Å; T21-L228 HydrophobicContact CG2-CD1 4.43Å
22	E	55.5	Low	65.1	Low	112 Å²	112	65.4 Å²	65.4	52%	0.523	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-7.8	176.5	-69.5	-157.1	132.7	0	0	114.3	Q18 Q19 Y20 R230	Q18-E22 PolarHBondContact O-N 3.41Å; Q19-E22 PolarHBondContact O-N 2.82Å; Y20-E22 VanDerWaalsContact C-N 3.26Å; Y20-E22 PolarHBondContact O-N 2.8Å; E22-R230 IonicContact OE1-CZ 3.73Å; E22-R230 IonicContact OE1-NE 2.77Å; E22-R230 IonicContact OE1-NH2 3.73Å; E22-R230 PolarHBondContact OE1-NH2 2.95Å
23	Y	55.6	Low	66.5	Low	191 Å²	191	66.6 Å²	66.6	75%	0.749	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.2	-9.4	175.7	-59.8	-73.8	0	0	0	114.8	Q19 Y20 T21	Q19-Y23 WeakPolarHBondContact O-CD2 3.44Å; Q19-Y23 WeakPolarHBondContact O-CE2 3.35Å; Y20-Y23 PolarHBondContact O-N 3.07Å; T21-Y23 PolarHBondContact O-N 3.08Å
24	S	65.3	Low	67.8	Low	25 Å²	25	66.6 Å²	66.6	18%	0.175	32%	0.323	C	S	.	.			trans	-74.6	144.4	177.4	-175.2	0	0	0	0	111.4	K26 Y69	S24-K26 PolarHBondContact OG-N 2.88Å; S24-K26 PolarHBondContact OG-O 2.88Å; S24-Y69 WeakPolarHBondContact CB-O 3.47Å; S24-Y69 PolarHBondContact OG-O 2.88Å
25	T	66.3	Low	68.9	Low	122 Å²	122	64.2 Å²	64.2	75%	0.748	31%	0.313	S	S	*	.	S	Bend	trans	-100.2	-8.2	173.7	71.2	0	0	0	0	113.2	E71	T25-E71 WeakPolarHBondContact CA-OE2 3.49Å; T25-E71 WeakPolarHBondContact CB-OE2 3.36Å; T25-E71 PolarHBondContact N-OE2 2.86Å; T25-E71 PolarHBondContact OG1-OE2 3.45Å
26	K	69.1	Low	70.2	Confident	57 Å²	57	66.9 Å²	66.9	25%	0.248	31%	0.314	C	S	.	.			trans	-95.5	142.3	173.2	-68.9	-173.8	-176.5	-175.4	0	111.7	S24 D30 V31 E34 E71	S24-K26 PolarHBondContact OG-N 2.88Å; S24-K26 PolarHBondContact OG-O 2.88Å; K26-D30 WeakPolarHBondContact CA-OD2 3.39Å; K26-D30 HydrophobicContact CB-CB 4.24Å; K26-D30 HydrophobicContact CG-CB 4.33Å; K26-V31 HydrophobicContact CB-CG2 4.29Å; K26-V31 HydrophobicContact CD-CG2 4.46Å; K26-E34 IonicContact NZ-OE1 2.68Å; K26-E34 PolarHBondContact NZ-OE1 3.18Å; K26-E71 HydrophobicContact CD-CG 4.42Å; K26-E71 HydrophobicContact CG-CG 4.37Å
27	N	71.9	Confident	70.5	Confident	65 Å²	65	71.4 Å²	71.4	35%	0.348	34%	0.335	S	S	.	.			trans	-101.4	169.4	165.3	67.4	73.2	0	0	0	110.8	K29 D30 V31 E229	N27-K29 PolarHBondContact O-N 2.87Å; N27-K29 VanDerWaalsContact O-N 3.16Å; N27-K29 WeakPolarHBondContact OD1-CA 3.22Å; N27-K29 WeakPolarHBondContact OD1-CB 3.23Å; N27-K29 PolarHBondContact OD1-N 2.9Å; N27-D30 VanDerWaalsContact CG-OD2 3.3Å; N27-D30 PolarHBondContact N-OD2 2.8Å; N27-D30 PolarHBondContact ND2-OD1 3.26Å; N27-D30 PolarHBondContact ND2-OD2 2.88Å; N27-D30 WeakPolarHBondContact O-CB 3.45Å; N27-D30 PolarHBondContact O-N 2.93Å; N27-D30 PolarHBondContact OD1-N 2.57Å; N27-V31 PolarHBondContact O-N 2.84Å; N27-V31 VanDerWaalsContact O-N 3.16Å; N27-E229 VanDerWaalsContact CA-OE1 3.23Å; N27-E229 WeakPolarHBondContact CA-OE1 3.49Å; N27-E229 VanDerWaalsContact CB-OE1 3.31Å; N27-E229 WeakPolarHBondContact CB-OE1 3.43Å
28	L	72.4	Confident	70.9	Confident	0 Å²	0	75.1 Å²	75.1	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-55.9	-32.6	-178.5	-75.2	172.2	0	0	0	113.7	V31 L32 F65 Y69 V222 L225 E229	L28-V31 PolarHBondContact O-N 2.88Å; L28-L32 WeakPolarHBondContact O-CB 3.32Å; L28-L32 VanDerWaalsContact O-CG 3.25Å; L28-L32 WeakPolarHBondContact O-CG 3.47Å; L28-L32 PolarHBondContact O-N 2.83Å; L28-F65 HydrophobicContact CD2-CZ 4Å; L28-Y69 HydrophobicContact CD2-CD2 3.75Å; L28-Y69 HydrophobicContact CD2-CE2 3.68Å; L28-Y69 HydrophobicContact CD2-CG 4.31Å; L28-Y69 HydrophobicContact CG-CD2 4.18Å; L28-Y69 HydrophobicContact CG-CE2 3.69Å; L28-V222 HydrophobicContact CD1-CG1 4.39Å; L28-L225 HydrophobicContact CD1-CB 3.85Å; L28-L225 HydrophobicContact CD2-CB 3.98Å; L28-L225 HydrophobicContact CD2-CD1 4.06Å; L28-L225 HydrophobicContact CG-CB 4.38Å; L28-E229 HydrophobicContact CD1-CG 4.38Å; L28-E229 WeakPolarHBondContact CD1-OE2 3.46Å; L28-E229 PolarHBondContact N-OE1 3.45Å
29	K	74.6	Confident	71.9	Confident	148 Å²	148	72 Å²	72	64%	0.643	36%	0.363	S	S	*	.	H	α-helix	trans	-67.5	-40.7	176.7	-170.7	-175.4	176.1	-179.4	0	111.1	N27 V31 L32 E33	N27-K29 PolarHBondContact O-N 2.87Å; N27-K29 VanDerWaalsContact O-N 3.16Å; N27-K29 WeakPolarHBondContact OD1-CA 3.22Å; N27-K29 WeakPolarHBondContact OD1-CB 3.23Å; N27-K29 PolarHBondContact OD1-N 2.9Å; K29-V31 VanDerWaalsContact C-N 3.29Å; K29-V31 PolarHBondContact O-N 3.3Å; K29-L32 PolarHBondContact O-N 2.83Å; K29-E33 WeakPolarHBondContact O-CG 3.19Å; K29-E33 PolarHBondContact O-N 2.87Å
30	D	78.3	Confident	72.8	Confident	65 Å²	65	70.2 Å²	70.2	35%	0.348	36%	0.36	S	S	.	.	H	α-helix	trans	-64.1	-36.5	175.9	-48.9	-33.4	0	0	0	111.2	K26 N27 E33	K26-D30 WeakPolarHBondContact CA-OD2 3.39Å; K26-D30 HydrophobicContact CB-CB 4.24Å; K26-D30 HydrophobicContact CG-CB 4.33Å; N27-D30 VanDerWaalsContact CG-OD2 3.3Å; N27-D30 PolarHBondContact N-OD2 2.8Å; N27-D30 PolarHBondContact ND2-OD1 3.26Å; N27-D30 PolarHBondContact ND2-OD2 2.88Å; N27-D30 WeakPolarHBondContact O-CB 3.45Å; N27-D30 PolarHBondContact O-N 2.93Å; N27-D30 PolarHBondContact OD1-N 2.57Å; D30-E33 PolarHBondContact O-N 2.98Å
31	V	81.9	Confident	73.7	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-72.5	-34.3	176.4	-177.4	0	0	0	0	112	K26 N27 L28 K29 E33 E34 F35 L41 F65 T68 Y69	K26-V31 HydrophobicContact CB-CG2 4.29Å; K26-V31 HydrophobicContact CD-CG2 4.46Å; N27-V31 PolarHBondContact O-N 2.84Å; N27-V31 VanDerWaalsContact O-N 3.16Å; L28-V31 PolarHBondContact O-N 2.88Å; K29-V31 VanDerWaalsContact C-N 3.29Å; K29-V31 PolarHBondContact O-N 3.3Å; V31-E33 VanDerWaalsContact C-N 3.29Å; V31-E33 PolarHBondContact O-N 2.65Å; V31-E34 WeakPolarHBondContact O-CB 3.43Å; V31-E34 PolarHBondContact O-N 3.35Å; V31-E34 VanDerWaalsContact O-N 3.15Å; V31-F35 WeakPolarHBondContact O-CD2 3.47Å; V31-L41 HydrophobicContact CG1-CD1 3.83Å; V31-F65 HydrophobicContact CG1-CD2 3.77Å; V31-F65 HydrophobicContact CG1-CE2 3.66Å; V31-F65 HydrophobicContact CG1-CZ 4.47Å; V31-T68 HydrophobicContact CG1-CG2 4.18Å; V31-T68 HydrophobicContact CG2-CG2 4.49Å; V31-Y69 HydrophobicContact CG2-CD2 4.07Å
32	L	80.3	Confident	74.7	Confident	27 Å²	27	68.5 Å²	68.5	14%	0.141	36%	0.357	C	S	.	.	H	α-helix	trans	-68.2	-28.2	175.8	-74.8	165.9	0	0	0	112.4	L28 K29 E34 F35 V52 L53 V222	L28-L32 WeakPolarHBondContact O-CB 3.32Å; L28-L32 VanDerWaalsContact O-CG 3.25Å; L28-L32 WeakPolarHBondContact O-CG 3.47Å; L28-L32 PolarHBondContact O-N 2.83Å; K29-L32 PolarHBondContact O-N 2.83Å; L32-E34 VanDerWaalsContact C-N 3.3Å; L32-E34 PolarHBondContact O-N 3.2Å; L32-F35 PolarHBondContact O-N 3.17Å; L32-V52 HydrophobicContact CD2-CG1 4.23Å; L32-L53 HydrophobicContact CD1-CD2 3.97Å; L32-L53 HydrophobicContact CD2-CD2 3.82Å; L32-V222 HydrophobicContact CD1-CG1 4.36Å; L32-V222 HydrophobicContact CD2-CG2 4.31Å
33	E	80.5	Confident	75.9	Confident	93 Å²	93	68.7 Å²	68.7	44%	0.435	36%	0.356	S	S	.	.	H	α-helix	trans	-68.5	-25.4	171.2	-65.6	-65.1	128.5	0	0	112.8	K29 D30 V31 F35 R36	K29-E33 WeakPolarHBondContact O-CG 3.19Å; K29-E33 PolarHBondContact O-N 2.87Å; D30-E33 PolarHBondContact O-N 2.98Å; V31-E33 VanDerWaalsContact C-N 3.29Å; V31-E33 PolarHBondContact O-N 2.65Å; E33-F35 PolarHBondContact O-N 3Å; E33-F35 VanDerWaalsContact O-N 3.14Å; E33-R36 VanDerWaalsContact CD-NE 3.27Å; E33-R36 WeakPolarHBondContact O-CB 3.39Å; E33-R36 PolarHBondContact O-N 3.33Å; E33-R36 IonicContact OE1-CZ 3.75Å; E33-R36 IonicContact OE1-NE 3.51Å; E33-R36 PolarHBondContact OE1-NE 2.87Å; E33-R36 IonicContact OE1-NH2 2.92Å; E33-R36 PolarHBondContact OE1-NH2 3.22Å; E33-R36 WeakPolarHBondContact OE2-CD 3.43Å; E33-R36 IonicContact OE2-CZ 3.62Å; E33-R36 IonicContact OE2-NE 3.36Å; E33-R36 PolarHBondContact OE2-NE 2.84Å; E33-R36 IonicContact OE2-NH2 3.95Å
34	E	83.9	Confident	77	Confident	40 Å²	40	60.9 Å²	60.9	19%	0.187	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-10	176	-63.1	-88.4	-167.1	0	0	113.4	K26 V31 L32 R36 G39 V40 L41 S42 T68	K26-E34 IonicContact NZ-OE1 2.68Å; K26-E34 PolarHBondContact NZ-OE1 3.18Å; V31-E34 WeakPolarHBondContact O-CB 3.43Å; V31-E34 PolarHBondContact O-N 3.35Å; V31-E34 VanDerWaalsContact O-N 3.15Å; L32-E34 VanDerWaalsContact C-N 3.3Å; L32-E34 PolarHBondContact O-N 3.2Å; E34-R36 VanDerWaalsContact C-N 3.35Å; E34-G39 CarbonylContact O-C 3.52Å; E34-G39 VanDerWaalsContact O-CA 3.28Å; E34-G39 WeakPolarHBondContact O-CA 3.46Å; E34-V40 PolarHBondContact O-N 2.95Å; E34-V40 PolarHBondContact OE2-N 3.37Å; E34-L41 HydrophobicContact CB-CB 4.28Å; E34-L41 HydrophobicContact CB-CD1 4.15Å; E34-L41 HydrophobicContact CB-CG 4.4Å; E34-L41 CarbonylContact O-C 3.6Å; E34-L41 WeakPolarHBondContact O-CA 3.5Å; E34-L41 PolarHBondContact O-N 2.92Å; E34-S42 PolarHBondContact O-N 2.73Å; E34-S42 VanDerWaalsContact O-N 3.08Å; E34-T68 HydrophobicContact CG-CG2 4.05Å
35	F	81.9	Confident	77.6	Confident	2 Å²	2	60 Å²	60	1%	0.009	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-3.5	169.8	-69.3	-96.8	0	0	0	113.4	V31 L32 E33 L41 N45 V52 F65 L218	V31-F35 WeakPolarHBondContact O-CD2 3.47Å; L32-F35 PolarHBondContact O-N 3.17Å; E33-F35 PolarHBondContact O-N 3Å; E33-F35 VanDerWaalsContact O-N 3.14Å; F35-L41 HydrophobicContact CD1-CB 3.81Å; F35-L41 HydrophobicContact CD2-CB 3.86Å; F35-L41 HydrophobicContact CD2-CD1 4.06Å; F35-L41 HydrophobicContact CE1-CB 3.8Å; F35-L41 HydrophobicContact CE2-CB 3.86Å; F35-L41 HydrophobicContact CE2-CD1 3.48Å; F35-L41 VanDerWaalsContact CE2-CD1 3.48Å; F35-L41 HydrophobicContact CE2-CG 4.21Å; F35-L41 HydrophobicContact CG-CB 3.84Å; F35-L41 HydrophobicContact CZ-CB 3.82Å; F35-L41 HydrophobicContact CZ-CD1 3.78Å; F35-L41 HydrophobicContact CZ-CD2 4.3Å; F35-L41 HydrophobicContact CZ-CG 4.18Å; F35-N45 HydrophobicContact CB-CB 4.25Å; F35-N45 HydrophobicContact CD1-CB 4.49Å; F35-N45 WeakPolarHBondContact O-CB 3.35Å; F35-V52 HydrophobicContact CB-CG1 3.7Å; F35-V52 HydrophobicContact CB-CG2 4.3Å; F35-V52 HydrophobicContact CD1-CG1 3.89Å; F35-V52 HydrophobicContact CD2-CG1 3.96Å; F35-V52 HydrophobicContact CE1-CG1 4.5Å; F35-V52 HydrophobicContact CG-CG1 3.59Å; F35-F65 AromaticContact CE2-CD2 3.9Å; F35-F65 HydrophobicContact CE2-CD2 3.9Å; F35-F65 HydrophobicContact CE2-CE2 4.25Å; F35-F65 AromaticContact CZ-CD2 3.92Å; F35-F65 HydrophobicContact CZ-CD2 3.92Å; F35-L218 HydrophobicContact CD1-CD1 4.23Å; F35-L218 HydrophobicContact CE1-CD1 3.52Å; F35-L218 HydrophobicContact CE2-CD1 4.21Å; F35-L218 HydrophobicContact CE2-CD2 4.39Å; F35-L218 HydrophobicContact CZ-CD1 3.51Å; F35-L218 HydrophobicContact CZ-CD2 3.79Å; F35-L218 HydrophobicContact CZ-CG 4.31Å
36	R	81.2	Confident	77.6	Confident	112 Å²	112	59.7 Å²	59.7	42%	0.423	32%	0.319	S	S	.	.	S	Bend	trans	-84	170.3	173	-57.2	-163.8	-162.3	-73.5	-6.1	111.5	E33 E34 G38 G39 S42	E33-R36 VanDerWaalsContact CD-NE 3.27Å; E33-R36 WeakPolarHBondContact O-CB 3.39Å; E33-R36 PolarHBondContact O-N 3.33Å; E33-R36 IonicContact OE1-CZ 3.75Å; E33-R36 IonicContact OE1-NE 3.51Å; E33-R36 PolarHBondContact OE1-NE 2.87Å; E33-R36 IonicContact OE1-NH2 2.92Å; E33-R36 PolarHBondContact OE1-NH2 3.22Å; E33-R36 WeakPolarHBondContact OE2-CD 3.43Å; E33-R36 IonicContact OE2-CZ 3.62Å; E33-R36 IonicContact OE2-NE 3.36Å; E33-R36 PolarHBondContact OE2-NE 2.84Å; E33-R36 IonicContact OE2-NH2 3.95Å; E34-R36 VanDerWaalsContact C-N 3.35Å; R36-G38 PolarHBondContact O-N 3.49Å; R36-G39 PolarHBondContact O-N 2.92Å; R36-S42 WeakPolarHBondContact O-CB 3.47Å
37	E	72.1	Confident	77.4	Confident	160 Å²	160	60.5 Å²	60.5	75%	0.748	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	123.4	-176.8	-167.5	170.7	-178.2	0	0	112.3	Q48	E37-Q48 VanDerWaalsContact CD-NE2 3.31Å; E37-Q48 PolarHBondContact OE2-NE2 2.78Å
38	G	70.4	Confident	77.1	Confident	79 Å²	79	63.1 Å²	63.1	81%	0.814	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.1	-11.4	-176.8	0	0	0	0	0	115.7	R36	R36-G38 PolarHBondContact O-N 3.49Å
39	G	79.3	Confident	76.6	Confident	15 Å²	15	67.8 Å²	67.8	16%	0.155	37%	0.369	C	S	.	.	S	Bend	trans	-78.3	161.6	175.6	0	0	0	0	0	113.9	E34 R36 L41 S42	E34-G39 CarbonylContact O-C 3.52Å; E34-G39 VanDerWaalsContact O-CA 3.28Å; E34-G39 WeakPolarHBondContact O-CA 3.46Å; R36-G39 PolarHBondContact O-N 2.92Å; G39-L41 VanDerWaalsContact C-N 3.28Å; G39-L41 PolarHBondContact O-N 2.86Å; G39-S42 VanDerWaalsContact O-CB 3.23Å; G39-S42 WeakPolarHBondContact O-CB 3.43Å; G39-S42 PolarHBondContact O-N 2.93Å; G39-S42 PolarHBondContact O-OG 2.85Å
40	V	82.2	Confident	75.9	Confident	83 Å²	83	69.4 Å²	69.4	50%	0.503	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-27.8	-173.6	178.1	0	0	0	0	113	E34 L64	E34-V40 PolarHBondContact O-N 2.95Å; E34-V40 PolarHBondContact OE2-N 3.37Å; V40-L64 HydrophobicContact CG1-CD1 4Å; V40-L64 HydrophobicContact CG1-CD2 4.28Å; V40-L64 HydrophobicContact CG1-CG 4.31Å
41	L	83.8	Confident	75.1	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-0.6	-178.3	-68.3	163.9	0	0	0	113.1	V31 E34 F35 G39 K43 Y44 L64 F65 T68	V31-L41 HydrophobicContact CG1-CD1 3.83Å; E34-L41 HydrophobicContact CB-CB 4.28Å; E34-L41 HydrophobicContact CB-CD1 4.15Å; E34-L41 HydrophobicContact CB-CG 4.4Å; E34-L41 CarbonylContact O-C 3.6Å; E34-L41 WeakPolarHBondContact O-CA 3.5Å; E34-L41 PolarHBondContact O-N 2.92Å; F35-L41 HydrophobicContact CD1-CB 3.81Å; F35-L41 HydrophobicContact CD2-CB 3.86Å; F35-L41 HydrophobicContact CD2-CD1 4.06Å; F35-L41 HydrophobicContact CE1-CB 3.8Å; F35-L41 HydrophobicContact CE2-CB 3.86Å; F35-L41 HydrophobicContact CE2-CD1 3.48Å; F35-L41 VanDerWaalsContact CE2-CD1 3.48Å; F35-L41 HydrophobicContact CE2-CG 4.21Å; F35-L41 HydrophobicContact CG-CB 3.84Å; F35-L41 HydrophobicContact CZ-CB 3.82Å; F35-L41 HydrophobicContact CZ-CD1 3.78Å; F35-L41 HydrophobicContact CZ-CD2 4.3Å; F35-L41 HydrophobicContact CZ-CG 4.18Å; G39-L41 VanDerWaalsContact C-N 3.28Å; G39-L41 PolarHBondContact O-N 2.86Å; L41-K43 PolarHBondContact O-N 2.72Å; L41-Y44 HydrophobicContact CD2-CD2 4.36Å; L41-Y44 PolarHBondContact O-N 3.05Å; L41-L64 HydrophobicContact CD2-CB 4.03Å; L41-L64 HydrophobicContact CD2-CD2 3.94Å; L41-L64 HydrophobicContact CD2-CG 3.7Å; L41-F65 HydrophobicContact CD1-CB 4.44Å; L41-F65 HydrophobicContact CD1-CD2 4.1Å; L41-F65 HydrophobicContact CD2-CB 4.29Å; L41-T68 HydrophobicContact CD1-CG2 4.26Å
42	S	81.3	Confident	74.5	Confident	42 Å²	42	69.9 Å²	69.9	29%	0.294	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-51.1	-29.2	-179.3	59.5	0	0	0	0	115.1	E34 R36 G39 Y44 N45	E34-S42 PolarHBondContact O-N 2.73Å; E34-S42 VanDerWaalsContact O-N 3.08Å; R36-S42 WeakPolarHBondContact O-CB 3.47Å; G39-S42 VanDerWaalsContact O-CB 3.23Å; G39-S42 WeakPolarHBondContact O-CB 3.43Å; G39-S42 PolarHBondContact O-N 2.93Å; G39-S42 PolarHBondContact O-OG 2.85Å; S42-Y44 PolarHBondContact O-N 3.24Å; S42-Y44 VanDerWaalsContact O-N 3.1Å; S42-N45 CarbonylContact O-C 3.56Å; S42-N45 PolarHBondContact O-N 3.02Å
43	K	80.8	Confident	73.8	Confident	117 Å²	117	70.2 Å²	70.2	51%	0.509	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-60.6	-18	174.5	69.2	166.4	179.8	145.6	0	114.2	L41	L41-K43 PolarHBondContact O-N 2.72Å
44	Y	79	Confident	73.2	Confident	26 Å²	26	68.3 Å²	68.3	10%	0.102	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-99.7	2.7	176	-63.6	-70.1	0	0	0	114.1	L41 S42 P46 I57 D58 G61 L64	L41-Y44 HydrophobicContact CD2-CD2 4.36Å; L41-Y44 PolarHBondContact O-N 3.05Å; S42-Y44 PolarHBondContact O-N 3.24Å; S42-Y44 VanDerWaalsContact O-N 3.1Å; Y44-P46 VanDerWaalsContact C-CD 3.43Å; Y44-I57 HydrophobicContact CD1-CG2 4.22Å; Y44-I57 HydrophobicContact CG-CG2 4.14Å; Y44-D58 WeakPolarHBondContact CE1-OD1 3.33Å; Y44-D58 PolarHBondContact OH-OD1 3.19Å; Y44-D58 VanDerWaalsContact OH-OD1 3.04Å; Y44-G61 VanDerWaalsContact OH-CA 3.24Å; Y44-G61 WeakPolarHBondContact OH-CA 3.37Å; Y44-G61 PolarHBondContact OH-N 3.26Å; Y44-L64 HydrophobicContact CE2-CD2 4.42Å
45	N	78.9	Confident	72.6	Confident	7 Å²	7	68.2 Å²	68.2	4%	0.037	38%	0.376	C	S	.	.			trans	-129.1	59.6	167.5	-172.8	13.8	0	0	0	111.4	F35 S42 A47 Q48 M49	F35-N45 HydrophobicContact CB-CB 4.25Å; F35-N45 HydrophobicContact CD1-CB 4.49Å; F35-N45 WeakPolarHBondContact O-CB 3.35Å; S42-N45 CarbonylContact O-C 3.56Å; S42-N45 PolarHBondContact O-N 3.02Å; N45-A47 PolarHBondContact O-N 2.74Å; N45-A47 VanDerWaalsContact O-N 3.08Å; N45-Q48 PolarHBondContact O-N 3.14Å; N45-Q48 PolarHBondContact OD1-N 2.91Å; N45-M49 PolarHBondContact ND2-N 3.37Å; N45-M49 PolarHBondContact ND2-O 3.35Å; N45-M49 VanDerWaalsContact ND2-O 3.15Å; N45-M49 PolarHBondContact OD1-N 2.89Å
46	P	64.9	Low	72.5	Confident	116 Å²	116	71 Å²	71	75%	0.753	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-14.6	-172.8	28.7	-37.1	0	0	0	114.3	Y44	Y44-P46 VanDerWaalsContact C-CD 3.43Å
47	A	66.7	Low	72.7	Confident	74 Å²	74	65.7 Å²	65.7	61%	0.612	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	2.6	177.3	0	0	0	0	0	113.6	N45 M49	N45-A47 PolarHBondContact O-N 2.74Å; N45-A47 VanDerWaalsContact O-N 3.08Å; A47-M49 HydrophobicContact CB-CG 3.75Å; A47-M49 PolarHBondContact O-N 3.13Å
48	Q	63.9	Low	73.4	Confident	119 Å²	119	61.1 Å²	61.1	56%	0.556	36%	0.355	S	S	*	.			trans	48.4	40.3	-172.1	-58.3	-167.9	0.9	0	0	113.1	E37 N45 Q50	E37-Q48 VanDerWaalsContact CD-NE2 3.31Å; E37-Q48 PolarHBondContact OE2-NE2 2.78Å; N45-Q48 PolarHBondContact O-N 3.14Å; N45-Q48 PolarHBondContact OD1-N 2.91Å; Q48-Q50 PolarHBondContact O-N 2.84Å
49	M	63.5	Low	74.2	Confident	98 Å²	98	60 Å²	60	48%	0.483	33%	0.326	S	S	.	.			trans	-62.6	135	-178.9	-61.3	-125.2	71.2	0	0	109.9	N45 A47 D51	N45-M49 PolarHBondContact ND2-N 3.37Å; N45-M49 PolarHBondContact ND2-O 3.35Å; N45-M49 VanDerWaalsContact ND2-O 3.15Å; N45-M49 PolarHBondContact OD1-N 2.89Å; A47-M49 HydrophobicContact CB-CG 3.75Å; A47-M49 PolarHBondContact O-N 3.13Å; M49-D51 VanDerWaalsContact C-N 3.32Å; M49-D51 WeakPolarHBondContact CB-O 3.49Å
50	Q	58.2	Low	74.5	Confident	182 Å²	182	65.3 Å²	65.3	85%	0.85	35%	0.347	S	S	*	.	S	Bend	trans	-73	-29.1	-177.2	-169.2	167.3	-7.4	0	0	111.8	Q48	Q48-Q50 PolarHBondContact O-N 2.84Å
51	D	63.3	Low	74.7	Confident	67 Å²	67	61.4 Å²	61.4	36%	0.358	32%	0.324	S	S	.	.			trans	-89	116.3	157.8	172.6	30.4	0	0	0	110.2	M49 L53 N54	M49-D51 VanDerWaalsContact C-N 3.32Å; M49-D51 WeakPolarHBondContact CB-O 3.49Å; D51-L53 WeakPolarHBondContact OD1-CB 3.3Å; D51-L53 PolarHBondContact OD1-N 3.23Å; D51-N54 WeakPolarHBondContact OD2-CB 3.26Å; D51-N54 PolarHBondContact OD2-ND2 3.13Å
52	V	68.7	Low	74.9	Confident	9 Å²	9	61.4 Å²	61.4	6%	0.055	32%	0.324	C	S	.	.			trans	-95.9	-21.5	175.8	-179.8	0	0	0	0	111.1	L32 F35 N54 Q55 L218	L32-V52 HydrophobicContact CD2-CG1 4.23Å; F35-V52 HydrophobicContact CB-CG1 3.7Å; F35-V52 HydrophobicContact CB-CG2 4.3Å; F35-V52 HydrophobicContact CD1-CG1 3.89Å; F35-V52 HydrophobicContact CD2-CG1 3.96Å; F35-V52 HydrophobicContact CE1-CG1 4.5Å; F35-V52 HydrophobicContact CG-CG1 3.59Å; V52-N54 PolarHBondContact O-N 2.85Å; V52-Q55 WeakPolarHBondContact O-CB 3.26Å; V52-Q55 WeakPolarHBondContact O-CG 3.41Å; V52-Q55 PolarHBondContact O-N 2.83Å; V52-Q55 VanDerWaalsContact O-N 3.09Å; V52-L218 HydrophobicContact CG1-CD1 3.92Å; V52-L218 WeakPolarHBondContact O-CD1 3.45Å
53	L	65.8	Low	75.1	Confident	34 Å²	34	62.7 Å²	62.7	18%	0.178	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-29.5	-167.7	-60.7	172.5	0	0	0	112.4	L32 D51 Q55 K219 V222 L243	L32-L53 HydrophobicContact CD1-CD2 3.97Å; L32-L53 HydrophobicContact CD2-CD2 3.82Å; D51-L53 WeakPolarHBondContact OD1-CB 3.3Å; D51-L53 PolarHBondContact OD1-N 3.23Å; L53-Q55 VanDerWaalsContact C-N 3.32Å; L53-K219 HydrophobicContact CB-CB 4.13Å; L53-K219 WeakPolarHBondContact O-CB 3.24Å; L53-K219 PolarHBondContact O-N 2.86Å; L53-V222 HydrophobicContact CD2-CB 4.28Å; L53-V222 HydrophobicContact CD2-CG1 4Å; L53-V222 HydrophobicContact CD2-CG2 4.17Å; L53-L243 HydrophobicContact CD1-CD1 3.97Å
54	N	67.4	Low	75.4	Confident	52 Å²	52	59.6 Å²	59.6	28%	0.278	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	2.6	171.8	-74.2	-67.6	0	0	0	114.7	D51 V52 F217 K219	D51-N54 WeakPolarHBondContact OD2-CB 3.26Å; D51-N54 PolarHBondContact OD2-ND2 3.13Å; V52-N54 PolarHBondContact O-N 2.85Å; N54-F217 WeakPolarHBondContact O-CD1 3.15Å; N54-K219 WeakPolarHBondContact OD1-CE 3.35Å; N54-K219 PolarHBondContact OD1-NZ 3.42Å
55	Q	71.3	Confident	75.8	Confident	39 Å²	39	58.4 Å²	58.4	18%	0.182	31%	0.309	C	S	.	.			trans	-73.6	133.5	175.2	-58.2	-59	-36.7	0	0	111.2	V52 L53 L218	V52-Q55 WeakPolarHBondContact O-CB 3.26Å; V52-Q55 WeakPolarHBondContact O-CG 3.41Å; V52-Q55 PolarHBondContact O-N 2.83Å; V52-Q55 VanDerWaalsContact O-N 3.09Å; L53-Q55 VanDerWaalsContact C-N 3.32Å; Q55-L218 HydrophobicContact CB-CD1 4.27Å; Q55-L218 PolarHBondContact O-N 2.75Å
56	P	80.3	Confident	76.1	Confident	60 Å²	60	58 Å²	58	39%	0.39	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	138.3	171.5	32.3	-32.1	0	0	0	111.1	V215 V216 F217	P56-V215 HydrophobicContact CB-CB 4.09Å; P56-V215 HydrophobicContact CB-CG2 4.11Å; P56-V216 WeakPolarHBondContact CA-O 3.29Å; P56-F217 HydrophobicContact CB-CD1 4.08Å; P56-F217 HydrophobicContact CB-CE1 3.87Å; P56-F217 HydrophobicContact CB-CZ 4.44Å; P56-F217 HydrophobicContact CG-CE1 4.36Å
57	I	85.5	Confident	77	Confident	1 Å²	1	54.2 Å²	54.2	1%	0.005	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	149	172	65.1	-180	0	0	0	111.2	Y44 F62 F65 V215 V216 L218 I221	Y44-I57 HydrophobicContact CD1-CG2 4.22Å; Y44-I57 HydrophobicContact CG-CG2 4.14Å; I57-F62 HydrophobicContact CD1-CB 4.2Å; I57-F62 HydrophobicContact CD1-CD2 4.36Å; I57-F65 HydrophobicContact CD1-CB 4.43Å; I57-V215 VanDerWaalsContact O-CA 3.26Å; I57-V215 WeakPolarHBondContact O-CA 3.49Å; I57-V215 WeakPolarHBondContact O-CB 3.35Å; I57-V216 HydrophobicContact CD1-CG2 4.3Å; I57-V216 HydrophobicContact CG1-CG2 3.62Å; I57-V216 PolarHBondContact N-O 2.94Å; I57-V216 PolarHBondContact O-N 3.03Å; I57-L218 HydrophobicContact CD1-CD2 3.87Å; I57-L218 HydrophobicContact CD1-CG 4.36Å; I57-L218 HydrophobicContact CG2-CD1 4.16Å; I57-L218 HydrophobicContact CG2-CG 4.17Å; I57-I221 HydrophobicContact CD1-CD1 3.82Å; I57-I221 HydrophobicContact CG1-CD1 4.34Å
58	D	87.3	Confident	77.8	Confident	64 Å²	64	51.4 Å²	51.4	34%	0.342	26%	0.26	S	S	.	.			trans	-83.9	-178.1	171.6	56.1	30.7	0	0	0	111.5	Y44 E60 G61 F62	Y44-D58 WeakPolarHBondContact CE1-OD1 3.33Å; Y44-D58 PolarHBondContact OH-OD1 3.19Å; Y44-D58 VanDerWaalsContact OH-OD1 3.04Å; D58-E60 VanDerWaalsContact C-N 3.35Å; D58-E60 PolarHBondContact O-N 3.31Å; D58-E60 PolarHBondContact OD1-N 3Å; D58-G61 PolarHBondContact O-N 3.39Å; D58-G61 PolarHBondContact OD1-N 3.23Å; D58-F62 PolarHBondContact O-N 3.5Å
59	Y	86.8	Confident	78.6	Confident	54 Å²	54	46 Å²	46	21%	0.212	24%	0.235	C	C	.	.	H	α-helix	trans	-65	-36	-179.3	-177.9	-120	0	0	0	112.9	G61 F62 Q63 Q80 F83	Y59-G61 VanDerWaalsContact C-N 3.31Å; Y59-G61 PolarHBondContact O-N 3.39Å; Y59-F62 PolarHBondContact O-N 3.1Å; Y59-Q63 HydrophobicContact CD1-CG 4.48Å; Y59-Q63 HydrophobicContact CD2-CG 4.44Å; Y59-Q63 HydrophobicContact CE1-CG 4.01Å; Y59-Q63 VanDerWaalsContact CE1-NE2 3.28Å; Y59-Q63 HydrophobicContact CE2-CG 3.96Å; Y59-Q63 VanDerWaalsContact CZ-NE2 3.32Å; Y59-Q63 WeakPolarHBondContact O-CG 3.26Å; Y59-Q63 PolarHBondContact O-N 3.39Å; Y59-Q63 PolarHBondContact OH-NE2 2.86Å; Y59-Q80 HydrophobicContact CE1-CG 4.33Å; Y59-Q80 HydrophobicContact CE2-CG 4.24Å; Y59-Q80 WeakPolarHBondContact OH-CG 3.22Å; Y59-F83 HydrophobicContact CD2-CB 3.69Å; Y59-F83 AromaticContact CD2-CD1 3.75Å; Y59-F83 HydrophobicContact CD2-CD1 3.75Å; Y59-F83 AromaticContact CD2-CD2 3.9Å; Y59-F83 HydrophobicContact CD2-CD2 3.9Å; Y59-F83 HydrophobicContact CD2-CE1 4.3Å; Y59-F83 HydrophobicContact CD2-CE2 4.41Å; Y59-F83 AromaticContact CD2-CG 3.51Å; Y59-F83 HydrophobicContact CD2-CG 3.51Å; Y59-F83 HydrophobicContact CE2-CB 3.91Å; Y59-F83 HydrophobicContact CE2-CG 4.25Å; Y59-F83 HydrophobicContact CG-CD1 4.36Å; Y59-F83 HydrophobicContact CG-CG 4.44Å
60	E	85.8	Confident	79.4	Confident	128 Å²	128	41.5 Å²	41.5	60%	0.598	21%	0.213	S	C	*	.	H	α-helix	trans	-64.3	-38.4	174.2	-65	-174.4	-168.1	0	0	111.3	D58 Q63 L64	D58-E60 VanDerWaalsContact C-N 3.35Å; D58-E60 PolarHBondContact O-N 3.31Å; D58-E60 PolarHBondContact OD1-N 3Å; E60-Q63 PolarHBondContact O-N 3.12Å; E60-L64 WeakPolarHBondContact O-CB 3.41Å; E60-L64 PolarHBondContact O-N 3.31Å
61	G	85.9	Confident	80.4	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-69.5	-38	176.3	0	0	0	0	0	112.3	Y44 D58 Y59 L64 F65	Y44-G61 VanDerWaalsContact OH-CA 3.24Å; Y44-G61 WeakPolarHBondContact OH-CA 3.37Å; Y44-G61 PolarHBondContact OH-N 3.26Å; D58-G61 PolarHBondContact O-N 3.39Å; D58-G61 PolarHBondContact OD1-N 3.23Å; Y59-G61 VanDerWaalsContact C-N 3.31Å; Y59-G61 PolarHBondContact O-N 3.39Å; G61-L64 PolarHBondContact O-N 3.13Å; G61-F65 WeakPolarHBondContact O-CB 3.01Å; G61-F65 PolarHBondContact O-N 3.39Å
62	F	87.3	Confident	81.1	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-64	-46.2	172.8	-173.4	-96.3	0	0	0	111.9	I57 D58 Y59 L64 F65 M66 L82 F83 F86 V216 I221	I57-F62 HydrophobicContact CD1-CB 4.2Å; I57-F62 HydrophobicContact CD1-CD2 4.36Å; D58-F62 PolarHBondContact O-N 3.5Å; Y59-F62 PolarHBondContact O-N 3.1Å; F62-L64 PolarHBondContact O-N 3.15Å; F62-F65 PolarHBondContact O-N 3.06Å; F62-M66 HydrophobicContact CD1-CG 4.02Å; F62-M66 HydrophobicContact CE1-CG 3.56Å; F62-M66 HydrophobicContact CE1-SD 4.38Å; F62-M66 HydrophobicContact CE2-CG 4.16Å; F62-M66 HydrophobicContact CE2-SD 4.25Å; F62-M66 HydrophobicContact CG-CG 4.5Å; F62-M66 HydrophobicContact CZ-CG 3.62Å; F62-M66 HydrophobicContact CZ-SD 3.85Å; F62-M66 WeakPolarHBondContact O-CB 3.41Å; F62-M66 VanDerWaalsContact O-CG 3.32Å; F62-M66 WeakPolarHBondContact O-CG 3.06Å; F62-M66 PolarHBondContact O-N 3.4Å; F62-L82 HydrophobicContact CE1-CB 3.74Å; F62-L82 HydrophobicContact CZ-CB 3.79Å; F62-F83 HydrophobicContact CB-CD2 3.58Å; F62-F83 HydrophobicContact CB-CE2 4.1Å; F62-F83 HydrophobicContact CD1-CB 3.74Å; F62-F83 HydrophobicContact CD1-CD2 4.08Å; F62-F83 HydrophobicContact CD1-CG 4.4Å; F62-F83 HydrophobicContact CD2-CD2 4.21Å; F62-F83 HydrophobicContact CE1-CB 4.02Å; F62-F83 HydrophobicContact CG-CB 4.2Å; F62-F83 AromaticContact CG-CD2 3.68Å; F62-F83 HydrophobicContact CG-CD2 3.68Å; F62-F83 HydrophobicContact CG-CG 4.43Å; F62-F86 AromaticContact CE2-CD2 3.82Å; F62-F86 HydrophobicContact CE2-CD2 3.82Å; F62-F86 HydrophobicContact CE2-CE2 4.15Å; F62-F86 HydrophobicContact CZ-CD2 4Å; F62-F86 HydrophobicContact CZ-CE2 4.11Å; F62-V216 HydrophobicContact CD2-CG2 4.13Å; F62-I221 HydrophobicContact CD2-CD1 3.59Å; F62-I221 HydrophobicContact CD2-CG1 4.26Å; F62-I221 HydrophobicContact CE2-CD1 3.74Å; F62-I221 HydrophobicContact CE2-CG1 3.9Å; F62-I221 HydrophobicContact CE2-CG2 3.88Å
63	Q	86.2	Confident	81.4	Confident	69 Å²	69	43 Å²	43	32%	0.322	23%	0.228	S	C	.	.	H	α-helix	trans	-57.5	-47.8	173.8	-77.4	-174.9	-33.3	0	0	111.7	Y59 E60 M66 A67	Y59-Q63 HydrophobicContact CD1-CG 4.48Å; Y59-Q63 HydrophobicContact CD2-CG 4.44Å; Y59-Q63 HydrophobicContact CE1-CG 4.01Å; Y59-Q63 VanDerWaalsContact CE1-NE2 3.28Å; Y59-Q63 HydrophobicContact CE2-CG 3.96Å; Y59-Q63 VanDerWaalsContact CZ-NE2 3.32Å; Y59-Q63 WeakPolarHBondContact O-CG 3.26Å; Y59-Q63 PolarHBondContact O-N 3.39Å; Y59-Q63 PolarHBondContact OH-NE2 2.86Å; E60-Q63 PolarHBondContact O-N 3.12Å; Q63-M66 PolarHBondContact O-N 2.97Å; Q63-A67 WeakPolarHBondContact O-CB 3.32Å; Q63-A67 PolarHBondContact O-N 2.96Å
64	L	86.5	Confident	82	Confident	53 Å²	53	42.4 Å²	42.4	28%	0.277	23%	0.225	S	C	.	.	H	α-helix	trans	-66.2	-38.9	-179.7	-171.8	59.2	0	0	0	112	V40 L41 Y44 E60 G61 F62 T68	V40-L64 HydrophobicContact CG1-CD1 4Å; V40-L64 HydrophobicContact CG1-CD2 4.28Å; V40-L64 HydrophobicContact CG1-CG 4.31Å; L41-L64 HydrophobicContact CD2-CB 4.03Å; L41-L64 HydrophobicContact CD2-CD2 3.94Å; L41-L64 HydrophobicContact CD2-CG 3.7Å; Y44-L64 HydrophobicContact CE2-CD2 4.42Å; E60-L64 WeakPolarHBondContact O-CB 3.41Å; E60-L64 PolarHBondContact O-N 3.31Å; G61-L64 PolarHBondContact O-N 3.13Å; F62-L64 PolarHBondContact O-N 3.15Å; L64-T68 VanDerWaalsContact O-CB 3.31Å; L64-T68 WeakPolarHBondContact O-CB 3.32Å; L64-T68 PolarHBondContact O-N 3.23Å; L64-T68 PolarHBondContact O-OG1 2.62Å
65	F	88.1	Confident	82.8	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-62.7	-50.2	174.2	173.4	-91.2	0	0	0	111.4	L28 V31 F35 L41 I57 G61 F62 A67 T68 Y69 L218 I221 V222 L225	L28-F65 HydrophobicContact CD2-CZ 4Å; V31-F65 HydrophobicContact CG1-CD2 3.77Å; V31-F65 HydrophobicContact CG1-CE2 3.66Å; V31-F65 HydrophobicContact CG1-CZ 4.47Å; F35-F65 AromaticContact CE2-CD2 3.9Å; F35-F65 HydrophobicContact CE2-CD2 3.9Å; F35-F65 HydrophobicContact CE2-CE2 4.25Å; F35-F65 AromaticContact CZ-CD2 3.92Å; F35-F65 HydrophobicContact CZ-CD2 3.92Å; L41-F65 HydrophobicContact CD1-CB 4.44Å; L41-F65 HydrophobicContact CD1-CD2 4.1Å; L41-F65 HydrophobicContact CD2-CB 4.29Å; I57-F65 HydrophobicContact CD1-CB 4.43Å; G61-F65 WeakPolarHBondContact O-CB 3.01Å; G61-F65 PolarHBondContact O-N 3.39Å; F62-F65 PolarHBondContact O-N 3.06Å; F65-A67 PolarHBondContact O-N 3.11Å; F65-T68 PolarHBondContact O-N 3.02Å; F65-T68 VanDerWaalsContact O-N 3.16Å; F65-Y69 WeakPolarHBondContact O-CB 3.39Å; F65-Y69 PolarHBondContact O-N 3.1Å; F65-L218 HydrophobicContact CD2-CD2 3.88Å; F65-L218 HydrophobicContact CE2-CD2 3.88Å; F65-L218 HydrophobicContact CG-CD2 4.42Å; F65-L218 HydrophobicContact CZ-CD2 4.44Å; F65-I221 HydrophobicContact CD1-CG2 4.2Å; F65-I221 HydrophobicContact CE1-CG2 3.57Å; F65-I221 HydrophobicContact CZ-CG2 4.31Å; F65-V222 HydrophobicContact CE2-CG2 4.5Å; F65-V222 HydrophobicContact CZ-CG2 4.11Å; F65-L225 HydrophobicContact CE1-CD1 3.65Å; F65-L225 HydrophobicContact CZ-CD1 4.24Å
66	M	84.7	Confident	83.1	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-62.8	-40.8	178.9	-69.9	-55.2	-56.6	0	0	112.3	L17 F62 Q63 T68 Y69 L70 I74 L82 L225	L17-M66 HydrophobicContact CD1-CE 3.93Å; F62-M66 HydrophobicContact CD1-CG 4.02Å; F62-M66 HydrophobicContact CE1-CG 3.56Å; F62-M66 HydrophobicContact CE1-SD 4.38Å; F62-M66 HydrophobicContact CE2-CG 4.16Å; F62-M66 HydrophobicContact CE2-SD 4.25Å; F62-M66 HydrophobicContact CG-CG 4.5Å; F62-M66 HydrophobicContact CZ-CG 3.62Å; F62-M66 HydrophobicContact CZ-SD 3.85Å; F62-M66 WeakPolarHBondContact O-CB 3.41Å; F62-M66 VanDerWaalsContact O-CG 3.32Å; F62-M66 WeakPolarHBondContact O-CG 3.06Å; F62-M66 PolarHBondContact O-N 3.4Å; Q63-M66 PolarHBondContact O-N 2.97Å; M66-T68 VanDerWaalsContact C-N 3.33Å; M66-T68 PolarHBondContact O-N 2.67Å; M66-Y69 HydrophobicContact CE-CD1 4.45Å; M66-Y69 PolarHBondContact O-N 2.97Å; M66-L70 HydrophobicContact CE-CD1 3.75Å; M66-L70 HydrophobicContact CE-CG 4.22Å; M66-L70 WeakPolarHBondContact O-CB 3.33Å; M66-L70 WeakPolarHBondContact O-CG 3.45Å; M66-L70 PolarHBondContact O-N 3.5Å; M66-I74 HydrophobicContact CB-CD1 4.29Å; M66-I74 HydrophobicContact CE-CD1 4.45Å; M66-L82 HydrophobicContact CE-CD1 4.36Å; M66-L225 HydrophobicContact CE-CD1 4.46Å; M66-L225 HydrophobicContact CE-CD2 4.37Å; M66-L225 HydrophobicContact SD-CD1 3.95Å
67	A	83.6	Confident	83	Confident	35 Å²	35	50.6 Å²	50.6	29%	0.289	26%	0.26	S	S	.	.	H	α-helix	trans	-66.3	-33.4	175.1	0	0	0	0	0	112.7	Q63 F65 E71 N72	Q63-A67 WeakPolarHBondContact O-CB 3.32Å; Q63-A67 PolarHBondContact O-N 2.96Å; F65-A67 PolarHBondContact O-N 3.11Å; A67-E71 WeakPolarHBondContact O-CA 3.36Å; A67-E71 PolarHBondContact O-N 3.45Å; A67-E71 VanDerWaalsContact O-N 3.16Å; A67-N72 PolarHBondContact O-N 3.25Å
68	T	84.4	Confident	82.6	Confident	15 Å²	15	50.9 Å²	50.9	9%	0.092	26%	0.262	C	S	.	.	H	α-helix	trans	-74.1	-35.2	176.1	-55.5	0	0	0	0	111.9	V31 E34 L41 L64 F65 M66	V31-T68 HydrophobicContact CG1-CG2 4.18Å; V31-T68 HydrophobicContact CG2-CG2 4.49Å; E34-T68 HydrophobicContact CG-CG2 4.05Å; L41-T68 HydrophobicContact CD1-CG2 4.26Å; L64-T68 VanDerWaalsContact O-CB 3.31Å; L64-T68 WeakPolarHBondContact O-CB 3.32Å; L64-T68 PolarHBondContact O-N 3.23Å; L64-T68 PolarHBondContact O-OG1 2.62Å; F65-T68 PolarHBondContact O-N 3.02Å; F65-T68 VanDerWaalsContact O-N 3.16Å; M66-T68 VanDerWaalsContact C-N 3.33Å; M66-T68 PolarHBondContact O-N 2.67Å
69	Y	80.8	Confident	82.3	Confident	6 Å²	6	48 Å²	48	2%	0.024	25%	0.247	C	C	.	.	H	α-helix	trans	-77.4	-39.4	179.3	172	-116	0	0	0	113.8	T21 S24 L28 V31 F65 M66 L225 E229	T21-Y69 HydrophobicContact CG2-CE1 3.72Å; S24-Y69 WeakPolarHBondContact CB-O 3.47Å; S24-Y69 PolarHBondContact OG-O 2.88Å; L28-Y69 HydrophobicContact CD2-CD2 3.75Å; L28-Y69 HydrophobicContact CD2-CE2 3.68Å; L28-Y69 HydrophobicContact CD2-CG 4.31Å; L28-Y69 HydrophobicContact CG-CD2 4.18Å; L28-Y69 HydrophobicContact CG-CE2 3.69Å; V31-Y69 HydrophobicContact CG2-CD2 4.07Å; F65-Y69 WeakPolarHBondContact O-CB 3.39Å; F65-Y69 PolarHBondContact O-N 3.1Å; M66-Y69 HydrophobicContact CE-CD1 4.45Å; M66-Y69 PolarHBondContact O-N 2.97Å; Y69-L225 HydrophobicContact CD1-CD1 3.8Å; Y69-L225 HydrophobicContact CE1-CB 4.18Å; Y69-L225 HydrophobicContact CE1-CD1 3.79Å; Y69-L225 HydrophobicContact CE1-CD2 3.97Å; Y69-L225 HydrophobicContact CE1-CG 4.2Å; Y69-L225 HydrophobicContact CG-CD1 4.48Å; Y69-E229 WeakPolarHBondContact OH-CG 3.28Å
70	L	80.3	Confident	82	Confident	4 Å²	4	49.7 Å²	49.7	2%	0.021	26%	0.257	C	S	.	.	H	α-helix	trans	-90.8	-4.9	-179.6	-59.5	177	0	0	0	113.3	L17 T21 M66 N72 I74	L17-L70 HydrophobicContact CD1-CD1 3.89Å; L17-L70 HydrophobicContact CD1-CD2 4.33Å; T21-L70 HydrophobicContact CG2-CD2 3.52Å; M66-L70 HydrophobicContact CE-CD1 3.75Å; M66-L70 HydrophobicContact CE-CG 4.22Å; M66-L70 WeakPolarHBondContact O-CB 3.33Å; M66-L70 WeakPolarHBondContact O-CG 3.45Å; M66-L70 PolarHBondContact O-N 3.5Å; L70-N72 WeakPolarHBondContact O-CB 3.42Å; L70-N72 PolarHBondContact O-N 2.98Å; L70-I74 HydrophobicContact CD1-CG2 3.38Å
71	E	78.5	Confident	81.5	Confident	95 Å²	95	47.8 Å²	47.8	44%	0.444	25%	0.248	S	C	.	.	S	Bend	trans	49	25.9	-171.7	-60.5	-167.8	114.4	0	0	113.6	T25 K26 A67	T25-E71 WeakPolarHBondContact CA-OE2 3.49Å; T25-E71 WeakPolarHBondContact CB-OE2 3.36Å; T25-E71 PolarHBondContact N-OE2 2.86Å; T25-E71 PolarHBondContact OG1-OE2 3.45Å; K26-E71 HydrophobicContact CD-CG 4.42Å; K26-E71 HydrophobicContact CG-CG 4.37Å; A67-E71 WeakPolarHBondContact O-CA 3.36Å; A67-E71 PolarHBondContact O-N 3.45Å; A67-E71 VanDerWaalsContact O-N 3.16Å
72	N	78	Confident	81	Confident	78 Å²	78	47.8 Å²	47.8	42%	0.417	25%	0.248	S	C	.	.	S	Bend	trans	-158.2	150.1	-168.4	-162.6	-8.9	0	0	0	110.6	A67 L70 I74	A67-N72 PolarHBondContact O-N 3.25Å; L70-N72 WeakPolarHBondContact O-CB 3.42Å; L70-N72 PolarHBondContact O-N 2.98Å; N72-I74 PolarHBondContact O-N 2.68Å
73	T	75	Confident	80.7	Confident	116 Å²	116	48.4 Å²	48.4	71%	0.712	25%	0.25	S	S	*	.			trans	-86.5	109.4	177.7	52	0	0	0	0	110.8
74	I	79.3	Confident	80.2	Confident	22 Å²	22	49 Å²	49	11%	0.113	26%	0.259	C	S	.	.			trans	-72.9	155.4	171.8	54.2	169.5	0	0	0	112.1	Y20 M66 L70 N72 L78 C79 L82	Y20-I74 HydrophobicContact CD1-CG2 4.47Å; Y20-I74 HydrophobicContact CD2-CG2 3.66Å; Y20-I74 HydrophobicContact CE2-CG2 3.76Å; Y20-I74 HydrophobicContact CG-CG2 4.05Å; M66-I74 HydrophobicContact CB-CD1 4.29Å; M66-I74 HydrophobicContact CE-CD1 4.45Å; L70-I74 HydrophobicContact CD1-CG2 3.38Å; N72-I74 PolarHBondContact O-N 2.68Å; I74-L78 HydrophobicContact CB-CD2 4.44Å; I74-C79 HydrophobicContact CD1-CB 3.78Å; I74-C79 HydrophobicContact CG1-CB 4.07Å; I74-L82 HydrophobicContact CD1-CD1 3.82Å
75	P	83	Confident	79.4	Confident	53 Å²	53	47.6 Å²	47.6	34%	0.344	25%	0.253	S	S	.	.			trans	-55.3	142.5	175	-25.9	35.2	0	0	0	112.4	E77 L78 C79	P75-E77 PolarHBondContact O-N 2.99Å; P75-L78 HydrophobicContact CB-CB 4.37Å; P75-L78 PolarHBondContact O-N 3.49Å; P75-C79 PolarHBondContact O-N 3.08Å
76	E	79.1	Confident	78.4	Confident	118 Å²	118	48.5 Å²	48.5	55%	0.551	26%	0.258	S	S	*	.	H	α-helix	trans	-61.5	-42.7	-174.5	-167.5	-178.2	167.5	0	0	112.2	L78 C79 Q80	E76-L78 PolarHBondContact O-N 3.36Å; E76-C79 CarbonylContact O-C 3.59Å; E76-C79 WeakPolarHBondContact O-CB 3.48Å; E76-C79 PolarHBondContact O-N 2.64Å; E76-C79 VanDerWaalsContact O-N 3.08Å; E76-Q80 HydrophobicContact CG-CG 4.29Å; E76-Q80 WeakPolarHBondContact O-CG 3.29Å; E76-Q80 PolarHBondContact O-N 2.9Å; E76-Q80 PolarHBondContact OE1-NE2 3.26Å
77	E	76.6	Confident	77.7	Confident	151 Å²	151	52.4 Å²	52.4	71%	0.706	28%	0.275	S	S	*	.	H	α-helix	trans	-55.5	-49.4	176.6	-61.3	177.1	155.7	0	0	111.5	P75 C79 Q80 H81	P75-E77 PolarHBondContact O-N 2.99Å; E77-C79 VanDerWaalsContact C-N 3.31Å; E77-C79 PolarHBondContact O-N 3.23Å; E77-Q80 PolarHBondContact O-N 2.58Å; E77-H81 PolarHBondContact O-CD2 2.86Å; E77-H81 VanDerWaalsContact O-CG 3.31Å; E77-H81 PolarHBondContact O-N 3.45Å
78	L	77.4	Confident	76.2	Confident	8 Å²	8	52.5 Å²	52.5	4%	0.042	27%	0.273	C	S	.	.	H	α-helix	trans	-60.4	-40	175.8	176.9	60.5	0	0	0	111.6	E13 Q16 Y20 I74 P75 E76 L82	E13-L78 HydrophobicContact CB-CD1 3.71Å; E13-L78 HydrophobicContact CG-CD1 3.93Å; Q16-L78 HydrophobicContact CG-CD2 4.47Å; Y20-L78 HydrophobicContact CE2-CD2 4.31Å; I74-L78 HydrophobicContact CB-CD2 4.44Å; P75-L78 HydrophobicContact CB-CB 4.37Å; P75-L78 PolarHBondContact O-N 3.49Å; E76-L78 PolarHBondContact O-N 3.36Å; L78-L82 HydrophobicContact CD1-CD1 4.2Å; L78-L82 HydrophobicContact CD1-CG 4.42Å; L78-L82 HydrophobicContact CG-CD1 4.04Å; L78-L82 VanDerWaalsContact O-CB 3.3Å; L78-L82 WeakPolarHBondContact O-CB 3.45Å; L78-L82 WeakPolarHBondContact O-CD1 3.34Å; L78-L82 VanDerWaalsContact O-CG 3.27Å; L78-L82 WeakPolarHBondContact O-CG 3.24Å; L78-L82 PolarHBondContact O-N 2.96Å
79	C	81.8	Confident	74.5	Confident	4 Å²	4	59.1 Å²	59.1	3%	0.027	30%	0.301	C	S	.	.	H	α-helix	trans	-69.9	-36.5	178.1	-162.2	0	0	0	0	113	I74 P75 E76 E77 F83	I74-C79 HydrophobicContact CD1-CB 3.78Å; I74-C79 HydrophobicContact CG1-CB 4.07Å; P75-C79 PolarHBondContact O-N 3.08Å; E76-C79 CarbonylContact O-C 3.59Å; E76-C79 WeakPolarHBondContact O-CB 3.48Å; E76-C79 PolarHBondContact O-N 2.64Å; E76-C79 VanDerWaalsContact O-N 3.08Å; E77-C79 VanDerWaalsContact C-N 3.31Å; E77-C79 PolarHBondContact O-N 3.23Å; C79-F83 WeakPolarHBondContact O-CB 3.44Å; C79-F83 PolarHBondContact O-N 2.93Å
80	Q	79.9	Confident	72.4	Confident	89 Å²	89	64.6 Å²	64.6	42%	0.416	34%	0.335	S	S	.	.	H	α-helix	trans	-68.8	-41.7	174.9	-70.2	-174.6	16.7	0	0	111.2	Y59 E76 E77 T84	Y59-Q80 HydrophobicContact CE1-CG 4.33Å; Y59-Q80 HydrophobicContact CE2-CG 4.24Å; Y59-Q80 WeakPolarHBondContact OH-CG 3.22Å; E76-Q80 HydrophobicContact CG-CG 4.29Å; E76-Q80 WeakPolarHBondContact O-CG 3.29Å; E76-Q80 PolarHBondContact O-N 2.9Å; E76-Q80 PolarHBondContact OE1-NE2 3.26Å; E77-Q80 PolarHBondContact O-N 2.58Å; Q80-T84 VanDerWaalsContact O-CB 3.28Å; Q80-T84 WeakPolarHBondContact O-CB 3.35Å; Q80-T84 PolarHBondContact O-N 3.36Å; Q80-T84 PolarHBondContact O-OG1 3.11Å
81	H	75.6	Confident	70.1	Confident	87 Å²	87	67.4 Å²	67.4	40%	0.403	37%	0.365	S	S	.	.	H	α-helix	trans	-62.5	-47.4	173.9	-69.5	-178.7	0	0	0	111.4	L9 E13 E77 T84 S85	L9-H81 HydrophobicContact CD2-CB 4.41Å; E13-H81 IonicContact OE1-CE1 2.87Å; E13-H81 IonicContact OE1-CG 2.89Å; E13-H81 IonicContact OE1-ND1 2.81Å; E13-H81 PolarHBondContact OE1-ND1 2.76Å; E77-H81 PolarHBondContact O-CD2 2.86Å; E77-H81 VanDerWaalsContact O-CG 3.31Å; E77-H81 PolarHBondContact O-N 3.45Å; H81-T84 PolarHBondContact O-N 3.19Å; H81-S85 PolarHBondContact O-N 2.71Å
82	L	74.8	Confident	67.6	Low	0 Å²	0	75 Å²	75	0%	0	39%	0.389	C	S	.	.	H	α-helix	trans	-54.4	-55.4	174.4	-83.5	164.4	0	0	0	111.9	L9 L17 F62 M66 I74 L78 T84 S85 F86	L9-L82 HydrophobicContact CD1-CD2 3.52Å; L9-L82 HydrophobicContact CD1-CG 4.43Å; L9-L82 HydrophobicContact CD2-CD2 3.95Å; L9-L82 HydrophobicContact CD2-CG 4.02Å; L9-L82 HydrophobicContact CG-CD2 4.32Å; L17-L82 HydrophobicContact CD1-CD1 4.45Å; L17-L82 HydrophobicContact CD2-CD2 3.99Å; F62-L82 HydrophobicContact CE1-CB 3.74Å; F62-L82 HydrophobicContact CZ-CB 3.79Å; M66-L82 HydrophobicContact CE-CD1 4.36Å; I74-L82 HydrophobicContact CD1-CD1 3.82Å; L78-L82 HydrophobicContact CD1-CD1 4.2Å; L78-L82 HydrophobicContact CD1-CG 4.42Å; L78-L82 HydrophobicContact CG-CD1 4.04Å; L78-L82 VanDerWaalsContact O-CB 3.3Å; L78-L82 WeakPolarHBondContact O-CB 3.45Å; L78-L82 WeakPolarHBondContact O-CD1 3.34Å; L78-L82 VanDerWaalsContact O-CG 3.27Å; L78-L82 WeakPolarHBondContact O-CG 3.24Å; L78-L82 PolarHBondContact O-N 2.96Å; L82-T84 VanDerWaalsContact C-N 3.29Å; L82-T84 PolarHBondContact O-N 2.87Å; L82-S85 PolarHBondContact O-N 2.79Å; L82-S85 VanDerWaalsContact O-N 3.09Å; L82-S85 PolarHBondContact O-OG 2.7Å; L82-F86 HydrophobicContact CD2-CE2 4.23Å; L82-F86 WeakPolarHBondContact O-CD2 3.19Å; L82-F86 PolarHBondContact O-N 3.4Å
83	F	81.9	Confident	65	Low	13 Å²	13	77.4 Å²	77.4	6%	0.057	41%	0.411	C	S	.	.	H	α-helix	trans	-57.8	-41.5	178	179.5	-103.8	0	0	0	112.6	Y59 F62 C79 S85 F86 K87 Q214 V216	Y59-F83 HydrophobicContact CD2-CB 3.69Å; Y59-F83 AromaticContact CD2-CD1 3.75Å; Y59-F83 HydrophobicContact CD2-CD1 3.75Å; Y59-F83 AromaticContact CD2-CD2 3.9Å; Y59-F83 HydrophobicContact CD2-CD2 3.9Å; Y59-F83 HydrophobicContact CD2-CE1 4.3Å; Y59-F83 HydrophobicContact CD2-CE2 4.41Å; Y59-F83 AromaticContact CD2-CG 3.51Å; Y59-F83 HydrophobicContact CD2-CG 3.51Å; Y59-F83 HydrophobicContact CE2-CB 3.91Å; Y59-F83 HydrophobicContact CE2-CG 4.25Å; Y59-F83 HydrophobicContact CG-CD1 4.36Å; Y59-F83 HydrophobicContact CG-CG 4.44Å; F62-F83 HydrophobicContact CB-CD2 3.58Å; F62-F83 HydrophobicContact CB-CE2 4.1Å; F62-F83 HydrophobicContact CD1-CB 3.74Å; F62-F83 HydrophobicContact CD1-CD2 4.08Å; F62-F83 HydrophobicContact CD1-CG 4.4Å; F62-F83 HydrophobicContact CD2-CD2 4.21Å; F62-F83 HydrophobicContact CE1-CB 4.02Å; F62-F83 HydrophobicContact CG-CB 4.2Å; F62-F83 AromaticContact CG-CD2 3.68Å; F62-F83 HydrophobicContact CG-CD2 3.68Å; F62-F83 HydrophobicContact CG-CG 4.43Å; C79-F83 WeakPolarHBondContact O-CB 3.44Å; C79-F83 PolarHBondContact O-N 2.93Å; F83-S85 VanDerWaalsContact C-N 3.29Å; F83-S85 PolarHBondContact O-N 2.85Å; F83-F86 PolarHBondContact O-N 2.86Å; F83-K87 PolarHBondContact O-N 2.86Å; F83-Q214 HydrophobicContact CE1-CB 4.41Å; F83-V216 HydrophobicContact CD2-CG1 3.82Å; F83-V216 HydrophobicContact CD2-CG2 3.85Å; F83-V216 HydrophobicContact CE2-CB 4.32Å; F83-V216 HydrophobicContact CE2-CG1 3.7Å; F83-V216 HydrophobicContact CE2-CG2 3.65Å; F83-V216 HydrophobicContact CG-CG1 4.49Å; F83-V216 HydrophobicContact CZ-CG1 4.23Å
84	T	76.1	Confident	62.4	Low	81 Å²	81	77.3 Å²	77.3	50%	0.497	42%	0.415	S	S	.	.	H	α-helix	trans	-66.2	-32.1	178.8	-57.4	0	0	0	0	111.9	Q80 H81 L82 F86 K87	Q80-T84 VanDerWaalsContact O-CB 3.28Å; Q80-T84 WeakPolarHBondContact O-CB 3.35Å; Q80-T84 PolarHBondContact O-N 3.36Å; Q80-T84 PolarHBondContact O-OG1 3.11Å; H81-T84 PolarHBondContact O-N 3.19Å; L82-T84 VanDerWaalsContact C-N 3.29Å; L82-T84 PolarHBondContact O-N 2.87Å; T84-F86 VanDerWaalsContact C-N 3.35Å; T84-K87 VanDerWaalsContact O-CB 3.26Å; T84-K87 WeakPolarHBondContact O-CB 3.4Å; T84-K87 PolarHBondContact O-N 2.79Å
85	S	68.1	Low	60.6	Low	24 Å²	24	81.7 Å²	81.7	17%	0.168	45%	0.445	C	S	.	.	H	α-helix	trans	-70.4	-26	176.1	76.7	0	0	0	0	114	W6 H81 L82 F83	W6-S85 WeakPolarHBondContact CZ3-O 3.36Å; H81-S85 PolarHBondContact O-N 2.71Å; L82-S85 PolarHBondContact O-N 2.79Å; L82-S85 VanDerWaalsContact O-N 3.09Å; L82-S85 PolarHBondContact O-OG 2.7Å; F83-S85 VanDerWaalsContact C-N 3.29Å; F83-S85 PolarHBondContact O-N 2.85Å
86	F	68	Low	57.9	Low	20 Å²	20	86.1 Å²	86.1	9%	0.088	47%	0.466	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	3.6	175.8	-65.1	-63.5	0	0	0	114.2	F62 L82 F83 T84 S88 V216 D220 I221 Y224	F62-F86 AromaticContact CE2-CD2 3.82Å; F62-F86 HydrophobicContact CE2-CD2 3.82Å; F62-F86 HydrophobicContact CE2-CE2 4.15Å; F62-F86 HydrophobicContact CZ-CD2 4Å; F62-F86 HydrophobicContact CZ-CE2 4.11Å; L82-F86 HydrophobicContact CD2-CE2 4.23Å; L82-F86 WeakPolarHBondContact O-CD2 3.19Å; L82-F86 PolarHBondContact O-N 3.4Å; F83-F86 PolarHBondContact O-N 2.86Å; T84-F86 VanDerWaalsContact C-N 3.35Å; F86-S88 PolarHBondContact O-N 2.84Å; F86-S88 VanDerWaalsContact O-N 3.17Å; F86-V216 HydrophobicContact CB-CB 4.11Å; F86-V216 HydrophobicContact CB-CG1 3.83Å; F86-V216 WeakPolarHBondContact O-CG1 3.25Å; F86-D220 HydrophobicContact CD1-CB 4.37Å; F86-I221 HydrophobicContact CB-CG1 4.31Å; F86-I221 HydrophobicContact CD1-CG1 4.25Å; F86-I221 HydrophobicContact CD2-CG1 3.99Å; F86-I221 HydrophobicContact CE2-CG1 4.42Å; F86-I221 HydrophobicContact CE2-CG2 4.34Å; F86-I221 HydrophobicContact CG-CG1 3.92Å; F86-Y224 HydrophobicContact CE1-CD1 4.43Å; F86-Y224 HydrophobicContact CE1-CD2 4.44Å; F86-Y224 AromaticContact CE1-CG 3.93Å; F86-Y224 HydrophobicContact CE1-CG 3.93Å; F86-Y224 AromaticContact CZ-CD1 3.81Å; F86-Y224 HydrophobicContact CZ-CD1 3.81Å; F86-Y224 AromaticContact CZ-CG 3.78Å; F86-Y224 HydrophobicContact CZ-CG 3.78Å
87	K	70.1	Confident	55.3	Low	82 Å²	82	88.7 Å²	88.7	36%	0.357	48%	0.478	S	S	.	.			trans	-77.6	102.1	-171	-176.6	176.7	166.8	-179.4	0	112.9	F83 T84 Q214	F83-K87 PolarHBondContact O-N 2.86Å; T84-K87 VanDerWaalsContact O-CB 3.26Å; T84-K87 WeakPolarHBondContact O-CB 3.4Å; T84-K87 PolarHBondContact O-N 2.79Å; K87-Q214 VanDerWaalsContact CE-OE1 3.23Å
88	S	52.7	Low	53.2	Low	37 Å²	37	87.2 Å²	87.2	26%	0.259	48%	0.481	S	S	.	.			trans	-63.1	147	178.1	74.7	0	0	0	0	113.8	F86	F86-S88 PolarHBondContact O-N 2.84Å; F86-S88 VanDerWaalsContact O-N 3.17Å
89	K	48.8	Very low	50.7	Low	154 Å²	154	95.8 Å²	95.8	67%	0.67	52%	0.521	S	S	*	.			trans	-97.7	62.5	169.1	-77.5	-168.8	177.7	-178.4	0	111.3	G91	K89-G91 VanDerWaalsContact C-N 3.27Å; K89-G91 PolarHBondContact O-N 3.03Å
90	T	35.8	Very low	48.1	Very low	120 Å²	120	100.7 Å²	100.7	74%	0.736	55%	0.553	S	S	*	*			trans	-68.6	79.6	172.2	51.2	0	0	0	0	111.2
91	G	31.4	Very low	45.5	Very low	64 Å²	64	100 Å²	100	66%	0.66	57%	0.569	S	S	*	*	S	Bend	trans	-175.6	23.1	-171	0	0	0	0	0	119.8	K89	K89-G91 VanDerWaalsContact C-N 3.27Å; K89-G91 PolarHBondContact O-N 3.03Å
92	R	26.9	Very low	43	Very low	254 Å²	254	103.1 Å²	103.1	96%	0.958	60%	0.595	S	S	*	*			trans	-177.3	114.7	157.8	-104.1	155.8	-160.4	-146.1	4.9	112.1
93	C	22.4	Very low	40.5	Very low	129 Å²	129	108.4 Å²	108.4	87%	0.872	63%	0.631	S	S	*	*			trans	-150.7	121.8	157.1	-162.1	0	0	0	0	109.9
94	S	21.5	Very low	37.8	Very low	113 Å²	113	116.2 Å²	116.2	79%	0.79	67%	0.673	S	S	*	*			trans	-147.2	139.9	164.5	-65.5	0	0	0	0	106.6
95	P	40.1	Very low	35.3	Very low	115 Å²	115	122.2 Å²	122.2	75%	0.747	69%	0.692	S	S	*	*			trans	-79	140.9	-179	32.1	-34.1	0	0	0	111.4
96	D	26.8	Very low	33.2	Very low	146 Å²	146	124.4 Å²	124.4	78%	0.781	72%	0.719	S	S	*	*				-175	154.6	120.5	-104.5	-28.5	0	0	0	114.7
97	H	25.4	Very low	31.1	Very low	172 Å²	172	132.1 Å²	132.1	80%	0.796	76%	0.757	S	S	*	*			trans	52.1	121	163	-82	-66.7	0	0	0	122.4
98	P	31.9	Very low	29.1	Very low	120 Å²	120	136 Å²	136	78%	0.779	78%	0.782	S	S	*	*			trans	-92.3	144.8	164.6	36.1	-32.2	0	0	0	113.1
99	Q	24.3	Very low	27.9	Very low	187 Å²	187	138.1 Å²	138.1	87%	0.874	81%	0.81	S	S	*	*			trans	-143.4	156.6	166.2	-91	-92.3	-20.1	0	0	110.1
100	P	27.9	Very low	27	Very low	108 Å²	108	140.4 Å²	140.4	70%	0.701	82%	0.82	S	S	*	*			trans	-117.5	144.9	-146.3	39	-29.5	0	0	0	117.1
101	G	24.1	Very low	26.8	Very low	73 Å²	73	139.8 Å²	139.8	75%	0.753	82%	0.82	S	S	*	*				83.7	122.6	129.3	0	0	0	0	0	119.3
102	T	23.7	Very low	26.8	Very low	154 Å²	154	139.1 Å²	139.1	95%	0.945	80%	0.801	S	S	*	*			trans	-143.1	124.2	149.6	-29.8	0	0	0	0	108.5
103	S	23.4	Very low	27	Very low	110 Å²	110	132.7 Å²	132.7	77%	0.769	79%	0.785	S	S	*	*			trans	-108.3	124.8	-172	-174.6	0	0	0	0	111.2
104	L	24.4	Very low	27.5	Very low	177 Å²	177	132.8 Å²	132.8	93%	0.927	78%	0.782	S	S	*	*			trans	-116	129.2	168.9	-89.1	163.9	0	0	0	109.7
105	K	24	Very low	27.9	Very low	207 Å²	207	131.9 Å²	131.9	90%	0.9	78%	0.781	S	S	*	*			trans	-89.2	131.6	-173.6	-64.4	173.6	178	174	0	111
106	G	22.7	Very low	27.7	Very low	71 Å²	71	129.1 Å²	129.1	73%	0.732	76%	0.759	S	S	*	*			trans	-174.6	114.3	168.4	0	0	0	0	0	116.3
107	M	24.9	Very low	27.9	Very low	181 Å²	181	124.5 Å²	124.5	89%	0.892	75%	0.745	S	S	*	*			trans	66.8	83.8	145	-56.6	177.6	66.2	0	0	120.2
108	N	27.1	Very low	28	Very low	164 Å²	164	122 Å²	122	88%	0.877	74%	0.737	S	S	*	*			trans	51.1	69.9	138.8	-64.5	-10.3	0	0	0	119.8	K110	N108-K110 PolarHBondContact O-N 2.91Å
109	G	29.2	Very low	27.9	Very low	82 Å²	82	125.4 Å²	125.4	85%	0.845	74%	0.742	S	S	*	*			trans	-64.7	115	160.2	0	0	0	0	0	112.1
110	K	29.3	Very low	28	Very low	202 Å²	202	122.2 Å²	122.2	88%	0.878	74%	0.736	S	S	*	*			trans	-161.4	46.5	172.9	-125.1	173.5	-168	174.7	0	114.1	N108	N108-K110 PolarHBondContact O-N 2.91Å
111	S	32.4	Very low	27.9	Very low	107 Å²	107	122.4 Å²	122.4	75%	0.748	74%	0.74	S	S	*	*	S	Bend	trans	-139.9	9.6	-174.4	-158.9	0	0	0	0	118
112	I	30.5	Very low	27.9	Very low	50 Å²	50	128 Å²	128	26%	0.256	75%	0.746	S	S	.	*	S	Bend	trans	-109.2	-52.6	172.4	-73.5	76.2	0	0	0	111.2	T114 A115 D274 E277	I112-T114 PolarHBondContact O-N 2.77Å; I112-A115 PolarHBondContact O-N 2.83Å; I112-D274 HydrophobicContact CD1-CB 4.12Å; I112-D274 WeakPolarHBondContact CD1-OD2 3.27Å; I112-D274 HydrophobicContact CG1-CB 4.09Å; I112-E277 WeakPolarHBondContact CB-OE2 3.46Å; I112-E277 HydrophobicContact CG2-CB 4.43Å; I112-E277 VanDerWaalsContact CG2-OE2 3.24Å; I112-E277 WeakPolarHBondContact CG2-OE2 3.33Å
113	L	30.2	Very low	28	Very low	118 Å²	118	128.3 Å²	128.3	62%	0.618	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.1	2.4	176.6	-72.3	165.3	0	0	0	117.5
114	T	33.6	Very low	28.2	Very low	132 Å²	132	127.5 Å²	127.5	81%	0.81	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.6	-16.2	171.3	-53.2	0	0	0	0	112.8	I112	I112-T114 PolarHBondContact O-N 2.77Å
115	A	31.1	Very low	28.3	Very low	93 Å²	93	125.2 Å²	125.2	77%	0.769	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.9	-42.6	170.5	0	0	0	0	0	111.6	I112	I112-A115 PolarHBondContact O-N 2.83Å
116	M	34.6	Very low	28.3	Very low	58 Å²	58	120.8 Å²	120.8	29%	0.286	72%	0.72	S	S	.	*	S	Bend	trans	-97.3	96.8	179.4	-71.1	172.4	162.9	0	0	110.5	L118 L278 I281	M116-L118 PolarHBondContact O-N 3.25Å; M116-L278 HydrophobicContact CE-CD1 4.14Å; M116-I281 HydrophobicContact SD-CD1 3.56Å; M116-I281 VanDerWaalsContact SD-CD1 3.56Å
117	G	31.1	Very low	28.5	Very low	48 Å²	48	128.7 Å²	128.7	50%	0.495	73%	0.728	S	S	.	*			trans	-84.5	62.8	-167.8	0	0	0	0	0	115.7	K353	G117-K353 PolarHBondContact O-NZ 3.12Å
118	L	28.2	Very low	28.5	Very low	121 Å²	121	125.5 Å²	125.5	63%	0.634	72%	0.723	S	S	*	*			trans	-113.6	146.7	172.5	-71.5	169.6	0	0	0	111.7	M116	M116-L118 PolarHBondContact O-N 3.25Å
119	H	29.7	Very low	28.4	Very low	191 Å²	191	122.2 Å²	122.2	88%	0.884	72%	0.719	S	S	*	*			trans	-145.5	108.9	167.3	-91.1	-52.4	0	0	0	107.3
120	T	26.1	Very low	28.2	Very low	119 Å²	119	123.6 Å²	123.6	73%	0.73	72%	0.722	S	S	*	*			trans	-79.2	159.6	166.9	46.3	0	0	0	0	110.3
121	S	25	Very low	28	Very low	112 Å²	112	117.7 Å²	117.7	78%	0.783	72%	0.719	S	S	*	*			trans	-151.9	127.1	178.7	65	0	0	0	0	111.5
122	E	25.6	Very low	27.7	Very low	192 Å²	192	119.1 Å²	119.1	90%	0.897	73%	0.729	S	S	*	*			trans	-131.3	157.6	169.1	-67.1	-155.6	121.8	0	0	111.9
123	N	26	Very low	27.5	Very low	160 Å²	160	120.1 Å²	120.1	86%	0.856	75%	0.752	S	S	*	*			trans	-100.7	-179.8	175.3	-66.7	-75.8	0	0	0	108.2
124	S	27.4	Very low	27.3	Very low	92 Å²	92	119.2 Å²	119.2	64%	0.643	76%	0.761	S	S	*	*			cis	-175.3	163.5	34.4	66.3	0	0	0	0	115
125	T	25.1	Very low	27	Very low	129 Å²	129	117.5 Å²	117.5	79%	0.791	76%	0.755	S	S	*	*			trans	68.9	151.7	160.1	70.8	0	0	0	0	117.9
126	T	25.7	Very low	26.7	Very low	115 Å²	115	119.4 Å²	119.4	71%	0.706	76%	0.757	S	S	*	*			cis	-141.9	155.3	23.5	49.1	0	0	0	0	114.3
127	R	25.3	Very low	26.4	Very low	237 Å²	237	121.1 Å²	121.1	89%	0.894	78%	0.775	S	S	*	*			trans	48.6	138.4	141.6	-68	-178.3	-179.6	-175.4	0.9	120
128	S	24.8	Very low	26.2	Very low	113 Å²	113	123.4 Å²	123.4	79%	0.79	78%	0.783	S	S	*	*			cis	-158.6	169.5	27.3	-67.6	0	0	0	0	114.4
129	A	24.9	Very low	26.2	Very low	95 Å²	95	122.6 Å²	122.6	79%	0.785	79%	0.787	S	S	*	*			trans	81.7	105.5	143.3	0	0	0	0	0	123.2
130	A	25.6	Very low	26.1	Very low	111 Å²	111	121.3 Å²	121.3	92%	0.917	78%	0.782	S	S	*	*				54.6	134.8	129.6	0	0	0	0	0	123.6
131	G	25.4	Very low	26.3	Very low	79 Å²	79	125.3 Å²	125.3	81%	0.814	78%	0.784	S	S	*	*			trans	167.9	106.5	164.4	0	0	0	0	0	114.3
132	S	26.1	Very low	26.5	Very low	137 Å²	137	125.5 Å²	125.5	96%	0.958	79%	0.785	S	S	*	*			trans	-88.8	160.1	-171.4	-50.8	0	0	0	0	115.5
133	G	26.2	Very low	26.6	Very low	71 Å²	71	119.2 Å²	119.2	73%	0.732	77%	0.772	S	S	*	*			trans	122.5	124.8	169.2	0	0	0	0	0	112.3
134	A	27	Very low	26.7	Very low	98 Å²	98	118.4 Å²	118.4	81%	0.81	77%	0.773	S	S	*	*			cis	62.8	134.1	37.5	0	0	0	0	0	113.8
135	S	25.5	Very low	26.7	Very low	96 Å²	96	118.7 Å²	118.7	67%	0.671	78%	0.781	S	S	*	*			cis	-173.8	162	-13.3	46.6	0	0	0	0	108.9
136	T	26.3	Very low	26.9	Very low	133 Å²	133	116.5 Å²	116.5	82%	0.816	78%	0.775	S	S	*	*			trans	61	159.3	163	44.7	0	0	0	0	117.3
137	S	26.7	Very low	27.1	Very low	94 Å²	94	118.9 Å²	118.9	66%	0.657	78%	0.784	S	S	*	*			cis	-163	168.9	-21.3	49.6	0	0	0	0	109.9
138	S	26.9	Very low	27.3	Very low	97 Å²	97	112 Å²	112	68%	0.678	78%	0.778	S	S	*	*			trans	15.7	137.3	146.5	64.9	0	0	0	0	119.9
139	S	28.2	Very low	28.4	Very low	103 Å²	103	112.9 Å²	112.9	72%	0.72	78%	0.781	S	S	*	*			cis	-169	163.6	47.7	-50.5	0	0	0	0	114.8
140	Q	29.3	Very low	28.5	Very low	165 Å²	165	112.2 Å²	112.2	77%	0.771	78%	0.783	S	S	*	*				12.1	153.2	129.7	-62.4	-166.4	35.1	0	0	121.3
141	R	28.6	Very low	28.5	Very low	202 Å²	202	110.4 Å²	110.4	76%	0.762	78%	0.775	S	S	*	*			cis	175	141	-9.9	177.5	-165.5	-161.2	-177.9	2.9	109.3
142	S	29.3	Very low	29.8	Very low	117 Å²	117	112 Å²	112	82%	0.818	77%	0.771	S	S	*	*			trans	58.9	151.8	164.1	47.7	0	0	0	0	119
143	G	27.6	Very low	29.9	Very low	60 Å²	60	115.3 Å²	115.3	62%	0.619	76%	0.764	S	S	*	*			cis	170.4	-175.5	-4	0	0	0	0	0	112.3
144	T	29.2	Very low	30	Very low	143 Å²	143	122.4 Å²	122.4	88%	0.877	77%	0.769	S	S	*	*			trans	60.3	114.5	167.2	42.8	0	0	0	0	117.9
145	A	28	Very low	30.3	Very low	98 Å²	98	123 Å²	123	81%	0.81	77%	0.767	S	S	*	*				81.3	141.7	84.7	0	0	0	0	0	113.4
146	A	28.8	Very low	31.2	Very low	82 Å²	82	124.7 Å²	124.7	68%	0.678	78%	0.776	S	S	*	*			cis	-163.9	-170.8	-8.2	0	0	0	0	0	110.4
147	N	28.6	Very low	31.3	Very low	166 Å²	166	122 Å²	122	89%	0.888	78%	0.775	S	S	*	*			trans	86.8	142.2	163.9	-58	-19.2	0	0	0	119.9
148	A	31.2	Very low	31.5	Very low	92 Å²	92	122.1 Å²	122.1	76%	0.76	78%	0.781	S	S	*	*			trans	-105.2	-163	166.2	0	0	0	0	0	107.7
149	P	47.3	Very low	31.6	Very low	131 Å²	131	126.5 Å²	126.5	85%	0.851	79%	0.791	S	S	*	*			cis	-138.5	-174.6	10	44.1	-25.4	0	0	0	115.9
150	G	26.9	Very low	31.6	Very low	81 Å²	81	128.5 Å²	128.5	84%	0.835	80%	0.799	S	S	*	*			trans	123.5	136.6	154.8	0	0	0	0	0	117.1
151	G	26.3	Very low	31.7	Very low	73 Å²	73	129.9 Å²	129.9	75%	0.753	80%	0.802	S	S	*	*			trans	-127.3	-155.1	157.2	0	0	0	0	0	108.4
152	P	52.8	Low	32.5	Very low	112 Å²	112	125.1 Å²	125.1	73%	0.727	80%	0.797	S	S	*	*			cis	-128	-174.2	-5.1	40.6	-24.6	0	0	0	113
153	Y	28.2	Very low	32.5	Very low	207 Å²	207	124.8 Å²	124.8	81%	0.812	80%	0.795	S	S	*	*				174.5	-174.9	127.9	-108	-85.3	0	0	0	114.5
154	R	28.3	Very low	32.5	Very low	220 Å²	220	126.5 Å²	126.5	83%	0.83	80%	0.803	S	S	*	*			trans	-85.3	166.4	-156.6	-71.6	169.2	166.7	172.2	-6.4	117.9
155	S	32.5	Very low	32.4	Very low	110 Å²	110	124.6 Å²	124.6	77%	0.769	80%	0.796	S	S	*	*			trans	-63.3	165	160.2	-23	0	0	0	0	114.2
156	P	44.1	Very low	32.4	Very low	132 Å²	132	125.4 Å²	125.4	86%	0.857	79%	0.791	S	S	*	*				-141.4	-170.8	83.8	37	-19.5	0	0	0	113
157	G	28.3	Very low	32.4	Very low	77 Å²	77	125.8 Å²	125.8	79%	0.794	79%	0.788	S	S	*	*			cis	133	91.3	-13.1	0	0	0	0	0	116.7
158	A	30.2	Very low	32.4	Very low	97 Å²	97	125.5 Å²	125.5	80%	0.802	79%	0.787	S	S	*	*			trans	-173.4	135.6	161.2	0	0	0	0	0	108
159	Q	29.6	Very low	32.1	Very low	189 Å²	189	125.1 Å²	125.1	88%	0.883	78%	0.784	S	S	*	*			cis	84.6	127.8	47.7	-82.9	-156.7	1.1	0	0	116.1
160	V	28.6	Very low	31.1	Very low	145 Å²	145	127 Å²	127	88%	0.879	79%	0.786	S	S	*	*				-166.6	161.2	123.1	148	0	0	0	0	109.5
161	K	30.8	Very low	31.1	Very low	193 Å²	193	129.1 Å²	129.1	84%	0.839	78%	0.782	S	S	*	*			trans	-121.1	-154.5	-175.2	-122.7	-178	-175.6	-178.4	0	108.8
162	P	46	Very low	32	Very low	102 Å²	102	131 Å²	131	66%	0.662	78%	0.782	S	S	*	*			cis	-140.2	178.9	4.5	44.4	-25.3	0	0	0	117.5
163	S	29.5	Very low	30.7	Very low	110 Å²	110	131.2 Å²	131.2	77%	0.769	79%	0.786	S	S	*	*			trans	39.4	159	139.3	67.7	0	0	0	0	123.4
164	A	28.5	Very low	30.7	Very low	96 Å²	96	126.1 Å²	126.1	79%	0.793	79%	0.786	S	S	*	*			cis	-153	-162.5	21.4	0	0	0	0	0	114.3
165	S	26.1	Very low	30.6	Very low	103 Å²	103	119.1 Å²	119.1	72%	0.72	78%	0.783	S	S	*	*			trans	-91	-170.2	-177.8	56	0	0	0	0	113.1
166	T	27.6	Very low	30.4	Very low	116 Å²	116	119.4 Å²	119.4	71%	0.712	79%	0.785	S	S	*	*			cis	-167.6	151	26.2	-24.4	0	0	0	0	113.6
167	S	28.7	Very low	29.6	Very low	89 Å²	89	118 Å²	118	62%	0.622	78%	0.778	S	S	*	*			trans	54.2	138.7	142.1	62.1	0	0	0	0	125.3
168	N	28.4	Very low	29.5	Very low	161 Å²	161	123.6 Å²	123.6	86%	0.861	78%	0.781	S	S	*	*			trans	71.6	159.5	146.6	-61.9	-6.7	0	0	0	119.9
169	A	25.8	Very low	29.2	Very low	83 Å²	83	124.2 Å²	124.2	69%	0.686	78%	0.779	S	S	*	*			cis	-177.7	148.6	-34.9	0	0	0	0	0	108.9
170	L	26.8	Very low	29	Very low	172 Å²	172	120.5 Å²	120.5	90%	0.901	78%	0.78	S	S	*	*			trans	-178.9	153.6	145.7	-102.9	164.3	0	0	0	112.8
171	T	27.1	Very low	28.8	Very low	124 Å²	124	117.4 Å²	117.4	76%	0.761	78%	0.778	S	S	*	*			trans	-136.9	-166.9	-179.1	56.9	0	0	0	0	107.4
172	P	45	Very low	28.7	Very low	113 Å²	113	114.8 Å²	114.8	73%	0.734	78%	0.779	S	S	*	*			cis	-142.4	-161.9	2.1	44.6	-24.4	0	0	0	116.6
173	S	25.6	Very low	28.3	Very low	117 Å²	117	115.6 Å²	115.6	82%	0.818	78%	0.784	S	S	*	*			trans	79.3	149.4	167.2	117.8	0	0	0	0	115.7
174	A	28.3	Very low	28.1	Very low	99 Å²	99	119.5 Å²	119.5	82%	0.818	79%	0.787	S	S	*	*			cis	-162.4	167.2	-14.4	0	0	0	0	0	108.3
175	G	26.2	Very low	28	Very low	73 Å²	73	121.2 Å²	121.2	75%	0.753	78%	0.782	S	S	*	*			cis	-166.2	-170.5	-3.7	0	0	0	0	0	111.5
176	S	26.8	Very low	27.9	Very low	116 Å²	116	124 Å²	124	81%	0.811	78%	0.784	S	S	*	*			trans	-67.8	165.7	177.7	50.9	0	0	0	0	113.5
177	S	27.9	Very low	27.9	Very low	103 Å²	103	123.5 Å²	123.5	72%	0.72	79%	0.785	S	S	*	*			cis	-168.5	158.2	15.7	10.4	0	0	0	0	114
178	K	25.9	Very low	27.8	Very low	195 Å²	195	125.9 Å²	125.9	85%	0.848	79%	0.786	S	S	*	*			trans	36.8	131.8	142.2	-64	-175.3	174.9	-179.8	0	123.4
179	S	24.4	Very low	27.6	Very low	110 Å²	110	126.1 Å²	126.1	77%	0.769	78%	0.78	S	S	*	*				81.1	123.4	127.1	65.1	0	0	0	0	124.7
180	A	25	Very low	27.5	Very low	110 Å²	110	128 Å²	128	91%	0.909	79%	0.788	S	S	*	*			trans	74.3	148.3	134.9	0	0	0	0	0	121.7
181	G	24.6	Very low	27.4	Very low	81 Å²	81	127.9 Å²	127.9	84%	0.835	79%	0.788	S	S	*	*			trans	143.7	99.1	161.1	0	0	0	0	0	117.6
182	T	27.5	Very low	27.3	Very low	138 Å²	138	127.7 Å²	127.7	85%	0.847	79%	0.792	S	S	*	*			trans	-82.8	151.9	157	45.6	0	0	0	0	110.8
183	P	37.7	Very low	26.4	Very low	119 Å²	119	130.7 Å²	130.7	77%	0.773	80%	0.796	S	S	*	*				-138.3	174.4	81.8	28.9	-6.6	0	0	0	112.9
184	K	26.4	Very low	26.3	Very low	191 Å²	191	135 Å²	135	83%	0.83	80%	0.8	S	S	*	*			cis	62.8	144.6	48	-80.8	-179.8	171.7	-174.2	0	113
185	L	25.4	Very low	26	Very low	133 Å²	133	138.9 Å²	138.9	70%	0.696	80%	0.801	S	S	*	*			cis	-151.1	-172.6	24.7	-159.6	65	0	0	0	113.1
186	Q	25.2	Very low	25.9	Very low	161 Å²	161	140.9 Å²	140.9	75%	0.752	80%	0.798	S	S	*	*			trans	-63.9	-170.8	169.6	-56	125.8	-51.9	0	0	112.6
187	S	26.3	Very low	25.7	Very low	105 Å²	105	140 Å²	140	73%	0.734	79%	0.792	S	S	*	*			cis	178.1	166.4	36.6	45.8	0	0	0	0	109
188	E	26.4	Very low	25.6	Very low	139 Å²	139	141.9 Å²	141.9	65%	0.65	79%	0.794	S	S	*	*			cis	-171.9	166.9	-8.8	-113.3	-159.6	120.2	0	0	110
189	K	25.6	Very low	25.5	Very low	167 Å²	167	140.7 Å²	140.7	73%	0.726	80%	0.795	S	S	*	*			trans	60.7	141	151.5	-70.6	161.7	179.2	139.2	0	119.4
190	S	23.6	Very low	25.6	Very low	122 Å²	122	144.3 Å²	144.3	85%	0.853	80%	0.797	S	S	*	*				-173.3	170.3	70.6	42.3	0	0	0	0	113.3
191	N	24.8	Very low	25.5	Very low	170 Å²	170	143.8 Å²	143.8	91%	0.909	79%	0.787	S	S	*	*			trans	-127	153.6	-175.2	-120.6	7.4	0	0	0	110.4
192	S	25	Very low	25.6	Very low	120 Å²	120	145.9 Å²	145.9	84%	0.839	79%	0.786	S	S	*	*			trans	-159.5	153.7	160.1	56	0	0	0	0	112.7
193	E	25.3	Very low	25.5	Very low	176 Å²	176	146.8 Å²	146.8	82%	0.822	79%	0.785	S	S	*	*			trans	-114.7	165.7	-165.2	-43.8	137.1	120.5	0	0	113
194	K	24.4	Very low	25.1	Very low	207 Å²	207	146.3 Å²	146.3	90%	0.9	78%	0.784	S	S	*	*				-176.7	168.8	124	-100	160.7	-173.7	177.4	0	114.4
195	Q	22.1	Very low	25.1	Very low	180 Å²	180	146.9 Å²	146.9	84%	0.841	79%	0.79	S	S	*	*			trans	-145.3	175.5	-164.7	-164	-171.9	11.5	0	0	110.9
196	V	24.1	Very low	25.5	Very low	115 Å²	115	150.2 Å²	150.2	70%	0.697	80%	0.802	S	S	*	*			trans	81.3	98.3	168.3	-170.6	0	0	0	0	113.5
197	S	23.1	Very low	25.6	Very low	97 Å²	97	146 Å²	146	68%	0.678	80%	0.802	S	S	*	*				70	149.7	81.3	100	0	0	0	0	114
198	L	24.6	Very low	25.6	Very low	144 Å²	144	145.8 Å²	145.8	75%	0.754	80%	0.8	S	S	*	*			cis	-166.6	146.3	34.9	-138.2	169.3	0	0	0	110.6
199	L	23.7	Very low	25.8	Very low	169 Å²	169	145.7 Å²	145.7	89%	0.885	81%	0.81	S	S	*	*			trans	-161.3	168.4	150.2	-113.4	167.9	0	0	0	111.3
200	K	26.6	Very low	26.1	Very low	186 Å²	186	146.2 Å²	146.2	81%	0.809	81%	0.814	S	S	*	*			trans	-98.2	156.3	-151.4	-72.9	-177.8	175.6	179.3	0	117.3
201	S	23.4	Very low	26.9	Very low	99 Å²	99	146.7 Å²	146.7	69%	0.692	81%	0.813	S	S	*	*			trans	-57.1	164.4	174.9	52.1	0	0	0	0	117
202	P	26.5	Very low	27.8	Very low	126 Å²	126	143.2 Å²	143.2	82%	0.818	80%	0.802	S	S	*	*				-115.1	-177.5	117.5	36	-35.3	0	0	0	113.4
203	L	24.6	Very low	29.2	Very low	156 Å²	156	142.8 Å²	142.8	82%	0.817	80%	0.796	S	S	*	*			trans	-83.1	149.5	-163.6	-90.2	65.2	0	0	0	116
204	S	30.4	Very low	31.4	Very low	109 Å²	109	139.6 Å²	139.6	76%	0.762	78%	0.781	S	S	*	*			trans	30.8	113.7	136.7	-46.5	0	0	0	0	120.6
205	Q	26.9	Very low	33.9	Very low	203 Å²	203	132 Å²	132	95%	0.949	75%	0.751	S	S	*	*			trans	-137.8	145.8	137.2	-110.1	-177.4	-14.7	0	0	109.3
206	E	33	Very low	36.5	Very low	203 Å²	203	123.4 Å²	123.4	95%	0.949	71%	0.711	S	S	*	*			trans	-79.3	146.8	-178.1	-63.3	175.9	127.2	0	0	111.5
207	G	26.8	Very low	39.1	Very low	73 Å²	73	120.5 Å²	120.5	75%	0.753	69%	0.69	S	S	*	*			trans	-150.1	74.3	-179.6	0	0	0	0	0	111.1	T209	G207-T209 PolarHBondContact O-N 2.94Å
208	S	27.4	Very low	41.5	Very low	101 Å²	101	115.9 Å²	115.9	71%	0.706	66%	0.657	S	S	*	*			trans	-71.6	108.7	-174.9	57.8	0	0	0	0	112.3	Q210	S208-Q210 VanDerWaalsContact C-N 3.31Å; S208-Q210 PolarHBondContact O-N 2.85Å
209	T	30.7	Very low	43.5	Very low	137 Å²	137	111.9 Å²	111.9	84%	0.84	63%	0.634	S	S	*	*			trans	-70.7	91.4	158	44.5	0	0	0	0	108.8	G207 T211	G207-T209 PolarHBondContact O-N 2.94Å; T209-T211 PolarHBondContact O-N 2.87Å
210	Q	31.1	Very low	45.6	Very low	177 Å²	177	106.5 Å²	106.5	83%	0.827	61%	0.606	S	S	*	*			trans	-61.6	105.2	174.9	-72.8	-179.6	-24.3	0	0	110.2	S208	S208-Q210 VanDerWaalsContact C-N 3.31Å; S208-Q210 PolarHBondContact O-N 2.85Å
211	T	40.6	Very low	47.9	Very low	133 Å²	133	97.6 Å²	97.6	82%	0.816	57%	0.567	S	S	*	*	P	Polyproline II helix	trans	-76.9	128.9	151.3	40.5	0	0	0	0	106.9	T209	T209-T211 PolarHBondContact O-N 2.87Å
212	S	43.2	Very low	50.1	Low	97 Å²	97	92.9 Å²	92.9	68%	0.678	53%	0.534	S	S	*	.	P	Polyproline II helix	trans	-64.6	142.7	173.7	43.5	0	0	0	0	109.9	Q214	S212-Q214 PolarHBondContact O-N 3.35Å
213	P	55.6	Low	52	Low	110 Å²	110	87.3 Å²	87.3	71%	0.714	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-58.1	134.2	172.5	25.7	-33.6	0	0	0	109.1	V215	P213-V215 PolarHBondContact O-N 2.86Å
214	Q	70.9	Confident	54	Low	110 Å²	110	81.4 Å²	81.4	51%	0.514	47%	0.465	S	S	.	.	P	Polyproline II helix	trans	-82.2	118.3	-179.7	-58.8	-175.1	45.4	0	0	108.1	F83 K87 S212	F83-Q214 HydrophobicContact CE1-CB 4.41Å; K87-Q214 VanDerWaalsContact CE-OE1 3.23Å; S212-Q214 PolarHBondContact O-N 3.35Å
215	V	76.9	Confident	55.8	Low	46 Å²	46	76.2 Å²	76.2	28%	0.279	43%	0.429	S	S	.	.			trans	-134	155.3	-176.4	-63.9	0	0	0	0	111.1	P56 I57 P213	P56-V215 HydrophobicContact CB-CB 4.09Å; P56-V215 HydrophobicContact CB-CG2 4.11Å; I57-V215 VanDerWaalsContact O-CA 3.26Å; I57-V215 WeakPolarHBondContact O-CA 3.49Å; I57-V215 WeakPolarHBondContact O-CB 3.35Å; P213-V215 PolarHBondContact O-N 2.86Å
216	V	77.3	Confident	57.6	Low	0 Å²	0	67 Å²	67	0%	0	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	146.3	177.4	-62.9	0	0	0	0	108.3	P56 I57 F62 F83 F86 I221	P56-V216 WeakPolarHBondContact CA-O 3.29Å; I57-V216 HydrophobicContact CD1-CG2 4.3Å; I57-V216 HydrophobicContact CG1-CG2 3.62Å; I57-V216 PolarHBondContact N-O 2.94Å; I57-V216 PolarHBondContact O-N 3.03Å; F62-V216 HydrophobicContact CD2-CG2 4.13Å; F83-V216 HydrophobicContact CD2-CG1 3.82Å; F83-V216 HydrophobicContact CD2-CG2 3.85Å; F83-V216 HydrophobicContact CE2-CB 4.32Å; F83-V216 HydrophobicContact CE2-CG1 3.7Å; F83-V216 HydrophobicContact CE2-CG2 3.65Å; F83-V216 HydrophobicContact CG-CG1 4.49Å; F83-V216 HydrophobicContact CZ-CG1 4.23Å; F86-V216 HydrophobicContact CB-CB 4.11Å; F86-V216 HydrophobicContact CB-CG1 3.83Å; F86-V216 WeakPolarHBondContact O-CG1 3.25Å; V216-I221 HydrophobicContact CB-CD1 4.36Å; V216-I221 HydrophobicContact CG2-CD1 3.71Å
217	F	78.5	Confident	58.8	Low	55 Å²	55	59 Å²	59	24%	0.241	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	140.4	180	-66.9	-85.3	0	0	0	110.8	N54 P56 K219 D220	N54-F217 WeakPolarHBondContact O-CD1 3.15Å; P56-F217 HydrophobicContact CB-CD1 4.08Å; P56-F217 HydrophobicContact CB-CE1 3.87Å; P56-F217 HydrophobicContact CB-CZ 4.44Å; P56-F217 HydrophobicContact CG-CE1 4.36Å; F217-K219 VanDerWaalsContact C-N 3.28Å; F217-K219 HydrophobicContact CB-CG 4.22Å; F217-K219 PolarHBondContact O-N 3.43Å; F217-D220 PolarHBondContact O-N 3.22Å; F217-D220 VanDerWaalsContact O-N 3.15Å
218	L	72.6	Confident	60.3	Low	0 Å²	0	56.3 Å²	56.3	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-58.3	-39	-177	-83.4	165.9	0	0	0	112.8	F35 V52 Q55 I57 F65 D220 I221 V222	F35-L218 HydrophobicContact CD1-CD1 4.23Å; F35-L218 HydrophobicContact CE1-CD1 3.52Å; F35-L218 HydrophobicContact CE2-CD1 4.21Å; F35-L218 HydrophobicContact CE2-CD2 4.39Å; F35-L218 HydrophobicContact CZ-CD1 3.51Å; F35-L218 HydrophobicContact CZ-CD2 3.79Å; F35-L218 HydrophobicContact CZ-CG 4.31Å; V52-L218 HydrophobicContact CG1-CD1 3.92Å; V52-L218 WeakPolarHBondContact O-CD1 3.45Å; Q55-L218 HydrophobicContact CB-CD1 4.27Å; Q55-L218 PolarHBondContact O-N 2.75Å; I57-L218 HydrophobicContact CD1-CD2 3.87Å; I57-L218 HydrophobicContact CD1-CG 4.36Å; I57-L218 HydrophobicContact CG2-CD1 4.16Å; I57-L218 HydrophobicContact CG2-CG 4.17Å; F65-L218 HydrophobicContact CD2-CD2 3.88Å; F65-L218 HydrophobicContact CE2-CD2 3.88Å; F65-L218 HydrophobicContact CG-CD2 4.42Å; F65-L218 HydrophobicContact CZ-CD2 4.44Å; L218-D220 VanDerWaalsContact C-N 3.28Å; L218-D220 PolarHBondContact O-N 3.38Å; L218-I221 HydrophobicContact CD2-CD1 4.49Å; L218-I221 PolarHBondContact O-N 2.91Å; L218-V222 VanDerWaalsContact O-CB 3.22Å; L218-V222 WeakPolarHBondContact O-CB 3.42Å; L218-V222 WeakPolarHBondContact O-CG2 3.39Å; L218-V222 PolarHBondContact O-N 3.41Å
219	K	67.4	Low	61.9	Low	60 Å²	60	53.6 Å²	53.6	26%	0.261	30%	0.295	S	S	.	.	H	α-helix	trans	-55.4	-37.8	176.9	65.8	-172.7	-179.3	-174.6	0	114.2	L53 N54 F217 C223 L243	L53-K219 HydrophobicContact CB-CB 4.13Å; L53-K219 WeakPolarHBondContact O-CB 3.24Å; L53-K219 PolarHBondContact O-N 2.86Å; N54-K219 WeakPolarHBondContact OD1-CE 3.35Å; N54-K219 PolarHBondContact OD1-NZ 3.42Å; F217-K219 VanDerWaalsContact C-N 3.28Å; F217-K219 HydrophobicContact CB-CG 4.22Å; F217-K219 PolarHBondContact O-N 3.43Å; K219-C223 WeakPolarHBondContact O-CB 3.39Å; K219-C223 PolarHBondContact O-N 2.87Å; K219-L243 HydrophobicContact CB-CD1 3.92Å
220	D	68.1	Low	62.9	Low	55 Å²	55	53.9 Å²	53.9	29%	0.294	28%	0.28	S	S	.	.	H	α-helix	trans	-69.5	-40.6	-177.6	-56.8	-34	0	0	0	110.6	F86 F217 L218 Y224	F86-D220 HydrophobicContact CD1-CB 4.37Å; F217-D220 PolarHBondContact O-N 3.22Å; F217-D220 VanDerWaalsContact O-N 3.15Å; L218-D220 VanDerWaalsContact C-N 3.28Å; L218-D220 PolarHBondContact O-N 3.38Å; D220-Y224 PolarHBondContact O-N 3.4Å
221	I	73.6	Confident	64.1	Low	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-70.8	-50.4	177.9	-53.5	160.4	0	0	0	110.4	I57 F62 F65 F86 V216 L218 C223 Y224 L225	I57-I221 HydrophobicContact CD1-CD1 3.82Å; I57-I221 HydrophobicContact CG1-CD1 4.34Å; F62-I221 HydrophobicContact CD2-CD1 3.59Å; F62-I221 HydrophobicContact CD2-CG1 4.26Å; F62-I221 HydrophobicContact CE2-CD1 3.74Å; F62-I221 HydrophobicContact CE2-CG1 3.9Å; F62-I221 HydrophobicContact CE2-CG2 3.88Å; F65-I221 HydrophobicContact CD1-CG2 4.2Å; F65-I221 HydrophobicContact CE1-CG2 3.57Å; F65-I221 HydrophobicContact CZ-CG2 4.31Å; F86-I221 HydrophobicContact CB-CG1 4.31Å; F86-I221 HydrophobicContact CD1-CG1 4.25Å; F86-I221 HydrophobicContact CD2-CG1 3.99Å; F86-I221 HydrophobicContact CE2-CG1 4.42Å; F86-I221 HydrophobicContact CE2-CG2 4.34Å; F86-I221 HydrophobicContact CG-CG1 3.92Å; V216-I221 HydrophobicContact CB-CD1 4.36Å; V216-I221 HydrophobicContact CG2-CD1 3.71Å; L218-I221 HydrophobicContact CD2-CD1 4.49Å; L218-I221 PolarHBondContact O-N 2.91Å; I221-C223 VanDerWaalsContact C-N 3.29Å; I221-C223 PolarHBondContact O-N 2.74Å; I221-Y224 PolarHBondContact O-N 3.26Å; I221-Y224 VanDerWaalsContact O-N 3.11Å; I221-L225 HydrophobicContact CG2-CD1 3.75Å; I221-L225 HydrophobicContact CG2-CG 4.26Å; I221-L225 WeakPolarHBondContact O-CG 3.15Å; I221-L225 PolarHBondContact O-N 2.84Å
222	V	70.7	Confident	65	Low	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-61.5	-38.7	-179.8	169.2	0	0	0	0	110.4	L28 L32 L53 F65 L218 S226 F239 L243	L28-V222 HydrophobicContact CD1-CG1 4.39Å; L32-V222 HydrophobicContact CD1-CG1 4.36Å; L32-V222 HydrophobicContact CD2-CG2 4.31Å; L53-V222 HydrophobicContact CD2-CB 4.28Å; L53-V222 HydrophobicContact CD2-CG1 4Å; L53-V222 HydrophobicContact CD2-CG2 4.17Å; F65-V222 HydrophobicContact CE2-CG2 4.5Å; F65-V222 HydrophobicContact CZ-CG2 4.11Å; L218-V222 VanDerWaalsContact O-CB 3.22Å; L218-V222 WeakPolarHBondContact O-CB 3.42Å; L218-V222 WeakPolarHBondContact O-CG2 3.39Å; L218-V222 PolarHBondContact O-N 3.41Å; V222-S226 VanDerWaalsContact O-CB 3.3Å; V222-S226 WeakPolarHBondContact O-CB 3.33Å; V222-S226 PolarHBondContact O-N 2.81Å; V222-S226 PolarHBondContact O-OG 3.14Å; V222-F239 HydrophobicContact CG1-CE1 4.09Å; V222-F239 HydrophobicContact CG1-CZ 3.53Å; V222-L243 HydrophobicContact CG1-CD1 4.44Å
223	C	65	Low	65.8	Low	9 Å²	9	39.6 Å²	39.6	6%	0.061	21%	0.21	C	C	.	.	H	α-helix	trans	-55.1	-54.5	170.5	-174.4	0	0	0	0	111.3	K219 I221 S226 L243 Q263	K219-C223 WeakPolarHBondContact O-CB 3.39Å; K219-C223 PolarHBondContact O-N 2.87Å; I221-C223 VanDerWaalsContact C-N 3.29Å; I221-C223 PolarHBondContact O-N 2.74Å; C223-S226 PolarHBondContact O-N 2.84Å; C223-S226 PolarHBondContact O-OG 3.14Å; C223-L243 HydrophobicContact CB-CD2 3.72Å; C223-Q263 PolarHBondContact SG-NE2 2.81Å; C223-Q263 VanDerWaalsContact SG-NE2 3.38Å
224	Y	66.9	Low	66.4	Low	31 Å²	31	38.5 Å²	38.5	12%	0.122	20%	0.195	C	C	.	.	H	α-helix	trans	-66.7	-43.2	-173.4	-170.4	-92.1	0	0	0	112.4	L9 F14 F86 D220 I221 S226 L227	L9-Y224 HydrophobicContact CD1-CE1 4.04Å; F14-Y224 WeakPolarHBondContact CD2-OH 3.48Å; F14-Y224 HydrophobicContact CE2-CE1 4.43Å; F86-Y224 HydrophobicContact CE1-CD1 4.43Å; F86-Y224 HydrophobicContact CE1-CD2 4.44Å; F86-Y224 AromaticContact CE1-CG 3.93Å; F86-Y224 HydrophobicContact CE1-CG 3.93Å; F86-Y224 AromaticContact CZ-CD1 3.81Å; F86-Y224 HydrophobicContact CZ-CD1 3.81Å; F86-Y224 AromaticContact CZ-CG 3.78Å; F86-Y224 HydrophobicContact CZ-CG 3.78Å; D220-Y224 PolarHBondContact O-N 3.4Å; I221-Y224 PolarHBondContact O-N 3.26Å; I221-Y224 VanDerWaalsContact O-N 3.11Å; Y224-S226 VanDerWaalsContact C-N 3.32Å; Y224-S226 PolarHBondContact O-N 2.85Å; Y224-L227 WeakPolarHBondContact O-CB 3.21Å; Y224-L227 PolarHBondContact O-N 2.94Å
225	L	69.1	Low	66.2	Low	1 Å²	1	37.7 Å²	37.7	1%	0.005	19%	0.194	C	C	.	.	H	α-helix	trans	-68.1	-31.7	178.3	-63.7	177.9	0	0	0	112	L17 L28 F65 M66 Y69 I221 L227 L228 E229	L17-L225 HydrophobicContact CD2-CD2 4.2Å; L28-L225 HydrophobicContact CD1-CB 3.85Å; L28-L225 HydrophobicContact CD2-CB 3.98Å; L28-L225 HydrophobicContact CD2-CD1 4.06Å; L28-L225 HydrophobicContact CG-CB 4.38Å; F65-L225 HydrophobicContact CE1-CD1 3.65Å; F65-L225 HydrophobicContact CZ-CD1 4.24Å; M66-L225 HydrophobicContact CE-CD1 4.46Å; M66-L225 HydrophobicContact CE-CD2 4.37Å; M66-L225 HydrophobicContact SD-CD1 3.95Å; Y69-L225 HydrophobicContact CD1-CD1 3.8Å; Y69-L225 HydrophobicContact CE1-CB 4.18Å; Y69-L225 HydrophobicContact CE1-CD1 3.79Å; Y69-L225 HydrophobicContact CE1-CD2 3.97Å; Y69-L225 HydrophobicContact CE1-CG 4.2Å; Y69-L225 HydrophobicContact CG-CD1 4.48Å; I221-L225 HydrophobicContact CG2-CD1 3.75Å; I221-L225 HydrophobicContact CG2-CG 4.26Å; I221-L225 WeakPolarHBondContact O-CG 3.15Å; I221-L225 PolarHBondContact O-N 2.84Å; L225-L227 PolarHBondContact O-N 2.97Å; L225-L227 VanDerWaalsContact O-N 3.14Å; L225-L228 HydrophobicContact CD2-CD1 3.86Å; L225-L228 WeakPolarHBondContact O-CB 3.3Å; L225-L228 PolarHBondContact O-N 3.37Å; L225-E229 PolarHBondContact O-N 2.97Å
226	S	64.8	Low	65.7	Low	10 Å²	10	36.1 Å²	36.1	7%	0.07	18%	0.184	C	C	.	.	H	α-helix	trans	-63.3	-20	175.9	78.3	0	0	0	0	113.1	V222 C223 Y224 K236 F239	V222-S226 VanDerWaalsContact O-CB 3.3Å; V222-S226 WeakPolarHBondContact O-CB 3.33Å; V222-S226 PolarHBondContact O-N 2.81Å; V222-S226 PolarHBondContact O-OG 3.14Å; C223-S226 PolarHBondContact O-N 2.84Å; C223-S226 PolarHBondContact O-OG 3.14Å; Y224-S226 VanDerWaalsContact C-N 3.32Å; Y224-S226 PolarHBondContact O-N 2.85Å; S226-K236 VanDerWaalsContact O-CE 3.25Å; S226-K236 WeakPolarHBondContact O-CE 3.17Å; S226-K236 PolarHBondContact O-NZ 3.3Å; S226-F239 VanDerWaalsContact CB-CE1 3.42Å
227	L	57.9	Low	65.6	Low	34 Å²	34	36.1 Å²	36.1	18%	0.178	18%	0.184	C	C	.	.	H	α-helix	trans	-71	-31.7	172.2	-54.2	178.4	0	0	0	112.1	Y224 L225 K236 V267 L315	Y224-L227 WeakPolarHBondContact O-CB 3.21Å; Y224-L227 PolarHBondContact O-N 2.94Å; L225-L227 PolarHBondContact O-N 2.97Å; L225-L227 VanDerWaalsContact O-N 3.14Å; L227-K236 PolarHBondContact O-NZ 3.47Å; L227-V267 HydrophobicContact CD1-CG1 4.23Å; L227-V267 HydrophobicContact CD1-CG2 3.65Å; L227-L315 WeakPolarHBondContact CD2-O 3.41Å
228	L	58.3	Low	65.5	Low	16 Å²	16	36.7 Å²	36.7	8%	0.084	19%	0.187	C	C	.	.	H	α-helix	trans	-77.5	-30.4	177.7	-56.1	175.9	0	0	0	112.6	F14 L17 T21 L225	F14-L228 HydrophobicContact CD2-CD2 4.47Å; F14-L228 HydrophobicContact CE1-CD2 4.18Å; F14-L228 HydrophobicContact CE2-CD2 3.65Å; F14-L228 HydrophobicContact CZ-CD2 3.47Å; F14-L228 VanDerWaalsContact CZ-CD2 3.47Å; L17-L228 HydrophobicContact CD2-CD1 3.72Å; L17-L228 HydrophobicContact CG-CD1 3.87Å; T21-L228 HydrophobicContact CG2-CD1 4.43Å; L225-L228 HydrophobicContact CD2-CD1 3.86Å; L225-L228 WeakPolarHBondContact O-CB 3.3Å; L225-L228 PolarHBondContact O-N 3.37Å
229	E	60.6	Low	65.3	Low	45 Å²	45	39.6 Å²	39.6	21%	0.21	20%	0.2	C	C	.	.	S	Bend	trans	-65.8	152	-179.5	-66.7	-165.9	131.3	0	0	113.1	N27 L28 Y69 L225 K236	N27-E229 VanDerWaalsContact CA-OE1 3.23Å; N27-E229 WeakPolarHBondContact CA-OE1 3.49Å; N27-E229 VanDerWaalsContact CB-OE1 3.31Å; N27-E229 WeakPolarHBondContact CB-OE1 3.43Å; L28-E229 HydrophobicContact CD1-CG 4.38Å; L28-E229 WeakPolarHBondContact CD1-OE2 3.46Å; L28-E229 PolarHBondContact N-OE1 3.45Å; Y69-E229 WeakPolarHBondContact OH-CG 3.28Å; L225-E229 PolarHBondContact O-N 2.97Å; E229-K236 WeakPolarHBondContact O-CE 3.35Å; E229-K236 PolarHBondContact O-NZ 2.87Å
230	R	52.9	Low	65.5	Low	142 Å²	142	37.4 Å²	37.4	54%	0.536	19%	0.191	S	C	.	.			trans	-101.4	117.8	176.6	-60.5	177.7	-178.8	-83.6	6.8	109.2	E22	E22-R230 IonicContact OE1-CZ 3.73Å; E22-R230 IonicContact OE1-NE 2.77Å; E22-R230 IonicContact OE1-NH2 3.73Å; E22-R230 PolarHBondContact OE1-NH2 2.95Å
231	G	56.2	Low	65.9	Low	40 Å²	40	35 Å²	35	41%	0.412	18%	0.178	S	C	.	.			trans	-151.3	-178.9	177.1	0	0	0	0	0	111.1	M318	G231-M318 WeakPolarHBondContact O-CE 3.45Å
232	T	59.2	Low	65.8	Low	38 Å²	38	41.8 Å²	41.8	23%	0.233	20%	0.203	C	C	.	.			trans	-76.2	158.3	173.1	68.8	0	0	0	0	111.4	E234 D235 K236	T232-E234 PolarHBondContact O-N 2.78Å; T232-D235 VanDerWaalsContact CB-OD2 3.3Å; T232-D235 WeakPolarHBondContact CB-OD2 3.39Å; T232-D235 WeakPolarHBondContact CG2-OD2 3.35Å; T232-D235 PolarHBondContact N-OD2 2.69Å; T232-D235 PolarHBondContact O-N 2.9Å; T232-D235 PolarHBondContact OG1-N 3.01Å; T232-D235 PolarHBondContact OG1-OD2 2.91Å; T232-K236 PolarHBondContact O-N 3.1Å
233	P	59.3	Low	65.7	Low	30 Å²	30	42.5 Å²	42.5	20%	0.195	21%	0.207	C	C	.	.	H	α-helix	trans	-52.6	-39.9	169.1	-28.9	37.5	0	0	0	113.3	L237 L307 L313 M318	P233-L237 WeakPolarHBondContact O-CB 3.3Å; P233-L237 WeakPolarHBondContact O-CD1 3.35Å; P233-L237 VanDerWaalsContact O-CG 3.25Å; P233-L237 WeakPolarHBondContact O-CG 3.44Å; P233-L237 PolarHBondContact O-N 3.02Å; P233-L307 HydrophobicContact CB-CD2 3.44Å; P233-L307 VanDerWaalsContact CB-CD2 3.44Å; P233-L313 HydrophobicContact CB-CD2 4.01Å; P233-M318 WeakPolarHBondContact CA-SD 3.38Å; P233-M318 HydrophobicContact CB-SD 4.02Å; P233-M318 HydrophobicContact CG-SD 3.73Å; P233-M318 VanDerWaalsContact N-SD 3.4Å
234	E	69.2	Low	66.1	Low	87 Å²	87	43.6 Å²	43.6	41%	0.407	21%	0.21	S	C	.	.	H	α-helix	trans	-61.9	-52.9	176.1	-68.8	74.2	-174	0	0	111.4	T232 K236 L237 E238 I303 L307	T232-E234 PolarHBondContact O-N 2.78Å; E234-K236 VanDerWaalsContact C-N 3.33Å; E234-K236 PolarHBondContact O-N 2.99Å; E234-L237 PolarHBondContact O-N 3.47Å; E234-E238 WeakPolarHBondContact O-CB 3.35Å; E234-E238 PolarHBondContact O-N 3.06Å; E234-I303 HydrophobicContact CG-CG2 4.47Å; E234-L307 HydrophobicContact CG-CD1 4.05Å; E234-L307 HydrophobicContact CG-CD2 4.09Å; E234-L307 WeakPolarHBondContact OE1-CD1 3.48Å; E234-L307 WeakPolarHBondContact OE1-CD2 3.28Å
235	D	64.9	Low	66.6	Low	92 Å²	92	43.2 Å²	43.2	49%	0.492	21%	0.21	S	C	.	.	H	α-helix	trans	-57.7	-44.4	178.5	-59.3	-52.2	0	0	0	111.4	T232 E238 F239	T232-D235 VanDerWaalsContact CB-OD2 3.3Å; T232-D235 WeakPolarHBondContact CB-OD2 3.39Å; T232-D235 WeakPolarHBondContact CG2-OD2 3.35Å; T232-D235 PolarHBondContact N-OD2 2.69Å; T232-D235 PolarHBondContact O-N 2.9Å; T232-D235 PolarHBondContact OG1-N 3.01Å; T232-D235 PolarHBondContact OG1-OD2 2.91Å; D235-E238 PolarHBondContact O-N 2.89Å; D235-F239 VanDerWaalsContact O-CB 3.23Å; D235-F239 WeakPolarHBondContact O-CB 3.4Å; D235-F239 PolarHBondContact O-N 3.42Å
236	K	67.6	Low	66.5	Low	13 Å²	13	46.6 Å²	46.6	6%	0.057	23%	0.231	C	C	.	.	H	α-helix	trans	-70.4	-34	-179.3	-73.3	-144.7	-175.4	-173.1	0	113.1	S226 L227 E229 T232 E234 M240 L316 M318	S226-K236 VanDerWaalsContact O-CE 3.25Å; S226-K236 WeakPolarHBondContact O-CE 3.17Å; S226-K236 PolarHBondContact O-NZ 3.3Å; L227-K236 PolarHBondContact O-NZ 3.47Å; E229-K236 WeakPolarHBondContact O-CE 3.35Å; E229-K236 PolarHBondContact O-NZ 2.87Å; T232-K236 PolarHBondContact O-N 3.1Å; E234-K236 VanDerWaalsContact C-N 3.33Å; E234-K236 PolarHBondContact O-N 2.99Å; K236-M240 VanDerWaalsContact O-CB 3.31Å; K236-M240 WeakPolarHBondContact O-CB 3.34Å; K236-M240 PolarHBondContact O-N 2.87Å; K236-L316 HydrophobicContact CB-CD1 4.31Å; K236-L316 HydrophobicContact CB-CD2 4.28Å; K236-L316 VanDerWaalsContact CD-O 3.28Å; K236-L316 WeakPolarHBondContact CD-O 3.12Å; K236-L316 PolarHBondContact NZ-O 3.49Å; K236-M318 HydrophobicContact CD-CE 3.57Å; K236-M318 HydrophobicContact CD-SD 4.38Å; K236-M318 VanDerWaalsContact CE-CE 3.46Å; K236-M318 HydrophobicContact CG-CE 3.96Å; K236-M318 HydrophobicContact CG-SD 4.43Å
237	L	75.7	Confident	66.8	Low	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-69.5	-43.4	173.8	-75.9	163.4	0	0	0	111.1	P233 E234 M240 F241 W302 I303 L307 L312 L313 L316	P233-L237 WeakPolarHBondContact O-CB 3.3Å; P233-L237 WeakPolarHBondContact O-CD1 3.35Å; P233-L237 VanDerWaalsContact O-CG 3.25Å; P233-L237 WeakPolarHBondContact O-CG 3.44Å; P233-L237 PolarHBondContact O-N 3.02Å; E234-L237 PolarHBondContact O-N 3.47Å; L237-M240 HydrophobicContact CD2-CE 4.26Å; L237-M240 PolarHBondContact O-N 2.82Å; L237-F241 WeakPolarHBondContact O-CB 3.44Å; L237-F241 PolarHBondContact O-N 2.68Å; L237-W302 PolarHBondContact O-NE1 2.76Å; L237-I303 HydrophobicContact CB-CG1 4.01Å; L237-L307 HydrophobicContact CD1-CD2 3.82Å; L237-L307 HydrophobicContact CD1-CG 3.85Å; L237-L312 HydrophobicContact CD2-CD2 3.73Å; L237-L312 HydrophobicContact CD2-CG 4.21Å; L237-L313 HydrophobicContact CD1-CD2 4.2Å; L237-L316 HydrophobicContact CD2-CD1 3.71Å; L237-L316 HydrophobicContact CG-CD1 3.88Å
238	E	75.1	Confident	67.5	Low	67 Å²	67	52.9 Å²	52.9	31%	0.313	28%	0.278	S	S	.	.	H	α-helix	trans	-63	-40.3	174.8	-174.3	177.7	142.3	0	0	112.1	E234 D235 F241 R242 L299 I303	E234-E238 WeakPolarHBondContact O-CB 3.35Å; E234-E238 PolarHBondContact O-N 3.06Å; D235-E238 PolarHBondContact O-N 2.89Å; E238-F241 WeakPolarHBondContact O-CB 3.38Å; E238-F241 PolarHBondContact O-N 3.44Å; E238-R242 PolarHBondContact O-N 3.01Å; E238-R242 IonicContact OE1-CZ 3.7Å; E238-R242 IonicContact OE1-NH1 3.96Å; E238-R242 PolarHBondContact OE1-NH1 2.85Å; E238-R242 IonicContact OE1-NH2 3.85Å; E238-R242 PolarHBondContact OE1-NH2 3.11Å; E238-L299 HydrophobicContact CB-CD1 4.45Å; E238-L299 HydrophobicContact CG-CD1 4.23Å; E238-L299 HydrophobicContact CG-CD2 4.49Å; E238-I303 HydrophobicContact CB-CD1 4.16Å
239	F	68.4	Low	68.4	Low	61 Å²	61	55.9 Å²	55.9	27%	0.268	29%	0.294	S	S	.	.	H	α-helix	trans	-64.5	-50	175.1	-174.9	-94.6	0	0	0	112	V222 S226 D235 F241 R242 L243	V222-F239 HydrophobicContact CG1-CE1 4.09Å; V222-F239 HydrophobicContact CG1-CZ 3.53Å; S226-F239 VanDerWaalsContact CB-CE1 3.42Å; D235-F239 VanDerWaalsContact O-CB 3.23Å; D235-F239 WeakPolarHBondContact O-CB 3.4Å; D235-F239 PolarHBondContact O-N 3.42Å; F239-F241 PolarHBondContact O-N 2.79Å; F239-R242 PolarHBondContact O-N 3.26Å; F239-L243 HydrophobicContact CE1-CD2 4.11Å; F239-L243 WeakPolarHBondContact O-CB 3.35Å; F239-L243 PolarHBondContact O-N 2.64Å
240	M	72.1	Confident	69.2	Low	14 Å²	14	55.4 Å²	55.4	7%	0.069	30%	0.301	C	S	.	.	H	α-helix	trans	-64.3	-30	178.2	-177.4	164.2	61	0	0	112.4	K236 L237 Y244 I260 M264 W302 L312 L316	K236-M240 VanDerWaalsContact O-CB 3.31Å; K236-M240 WeakPolarHBondContact O-CB 3.34Å; K236-M240 PolarHBondContact O-N 2.87Å; L237-M240 HydrophobicContact CD2-CE 4.26Å; L237-M240 PolarHBondContact O-N 2.82Å; M240-Y244 HydrophobicContact CG-CD2 4.08Å; M240-Y244 HydrophobicContact CG-CE2 4.27Å; M240-Y244 WeakPolarHBondContact O-CD2 3.13Å; M240-I260 HydrophobicContact SD-CG2 4.12Å; M240-M264 HydrophobicContact CE-CE 3.41Å; M240-M264 VanDerWaalsContact CE-CE 3.41Å; M240-M264 HydrophobicContact SD-CE 3.32Å; M240-M264 WeakPolarHBondContact SD-CE 3.24Å; M240-W302 HydrophobicContact CE-CH2 4.47Å; M240-W302 HydrophobicContact CE-CZ2 3.6Å; M240-W302 HydrophobicContact CG-CZ2 4.19Å; M240-W302 HydrophobicContact SD-CZ2 4.41Å; M240-L312 HydrophobicContact CE-CD1 3.61Å; M240-L312 HydrophobicContact CE-CG 4.31Å; M240-L316 HydrophobicContact CB-CD2 4.24Å; M240-L316 HydrophobicContact CE-CD1 3.69Å; M240-L316 HydrophobicContact CE-CD2 3.47Å; M240-L316 VanDerWaalsContact CE-CD2 3.47Å; M240-L316 HydrophobicContact CE-CG 3.66Å; M240-L316 HydrophobicContact SD-CD2 3.63Å; M240-L316 HydrophobicContact SD-CG 4.35Å
241	F	76.1	Confident	70.8	Confident	4 Å²	4	51.4 Å²	51.4	2%	0.018	29%	0.29	C	S	.	.	H	α-helix	trans	-60.5	-57.9	171.4	-168.7	-85.6	0	0	0	110.9	L237 E238 F239 L243 Y244 D245 G250 L252 V297 L299 W302	L237-F241 WeakPolarHBondContact O-CB 3.44Å; L237-F241 PolarHBondContact O-N 2.68Å; E238-F241 WeakPolarHBondContact O-CB 3.38Å; E238-F241 PolarHBondContact O-N 3.44Å; F239-F241 PolarHBondContact O-N 2.79Å; F241-L243 PolarHBondContact O-N 3.46Å; F241-L243 VanDerWaalsContact O-N 3.13Å; F241-Y244 PolarHBondContact O-N 3.16Å; F241-Y244 VanDerWaalsContact O-N 3.11Å; F241-D245 HydrophobicContact CD1-CB 4.28Å; F241-D245 HydrophobicContact CE1-CB 4.2Å; F241-D245 WeakPolarHBondContact O-CB 3.44Å; F241-D245 PolarHBondContact O-N 3.49Å; F241-G250 VanDerWaalsContact CZ-O 3.31Å; F241-G250 WeakPolarHBondContact CZ-O 3.26Å; F241-L252 HydrophobicContact CD2-CD1 3.43Å; F241-L252 VanDerWaalsContact CD2-CD1 3.43Å; F241-L252 HydrophobicContact CD2-CG 3.75Å; F241-L252 HydrophobicContact CE2-CB 4.33Å; F241-L252 HydrophobicContact CE2-CD1 3.66Å; F241-L252 HydrophobicContact CE2-CG 3.56Å; F241-L252 HydrophobicContact CG-CD1 4.24Å; F241-L252 HydrophobicContact CG-CG 4.4Å; F241-L252 HydrophobicContact CZ-CG 4.06Å; F241-V297 WeakPolarHBondContact CE2-O 3.29Å; F241-L299 HydrophobicContact CB-CD1 3.65Å; F241-L299 HydrophobicContact CD1-CB 4.21Å; F241-L299 HydrophobicContact CD1-CD1 3.84Å; F241-L299 HydrophobicContact CD2-CB 4.31Å; F241-L299 HydrophobicContact CD2-CD1 3.95Å; F241-L299 HydrophobicContact CE1-CB 4.01Å; F241-L299 HydrophobicContact CE1-CD1 4.49Å; F241-L299 VanDerWaalsContact CE2-CA 3.47Å; F241-L299 HydrophobicContact CE2-CB 4.09Å; F241-L299 VanDerWaalsContact CE2-N 3.34Å; F241-L299 HydrophobicContact CG-CB 4.35Å; F241-L299 HydrophobicContact CG-CD1 3.53Å; F241-L299 HydrophobicContact CZ-CB 3.93Å; F241-W302 HydrophobicContact CB-CG 4.47Å; F241-W302 HydrophobicContact CD2-CB 3.62Å; F241-W302 AromaticContact CD2-CD1 3.66Å; F241-W302 HydrophobicContact CD2-CD2 4.33Å; F241-W302 AromaticContact CD2-CG 3.61Å; F241-W302 HydrophobicContact CD2-CG 3.61Å; F241-W302 HydrophobicContact CE2-CB 4.01Å; F241-W302 HydrophobicContact CE2-CG 4.4Å
242	R	72.6	Confident	72.2	Confident	144 Å²	144	49.5 Å²	49.5	54%	0.543	27%	0.27	S	S	.	.	H	α-helix	trans	-65.2	-16	-179.2	-67.2	-166.5	-173.9	107.9	8.5	114.9	E238 F239	E238-R242 PolarHBondContact O-N 3.01Å; E238-R242 IonicContact OE1-CZ 3.7Å; E238-R242 IonicContact OE1-NH1 3.96Å; E238-R242 PolarHBondContact OE1-NH1 2.85Å; E238-R242 IonicContact OE1-NH2 3.85Å; E238-R242 PolarHBondContact OE1-NH2 3.11Å; F239-R242 PolarHBondContact O-N 3.26Å
243	L	68.3	Low	73.5	Confident	14 Å²	14	50.3 Å²	50.3	7%	0.073	27%	0.273	C	S	.	.	H	α-helix	trans	-82.1	-21.6	177.6	-178.3	59.7	0	0	0	112.8	L53 K219 V222 C223 F239 F241	L53-L243 HydrophobicContact CD1-CD1 3.97Å; K219-L243 HydrophobicContact CB-CD1 3.92Å; V222-L243 HydrophobicContact CG1-CD1 4.44Å; C223-L243 HydrophobicContact CB-CD2 3.72Å; F239-L243 HydrophobicContact CE1-CD2 4.11Å; F239-L243 WeakPolarHBondContact O-CB 3.35Å; F239-L243 PolarHBondContact O-N 2.64Å; F241-L243 PolarHBondContact O-N 3.46Å; F241-L243 VanDerWaalsContact O-N 3.13Å
244	Y	72.5	Confident	74.6	Confident	32 Å²	32	53 Å²	53	13%	0.125	29%	0.293	C	S	.	.	H	α-helix	trans	-120	-18.6	-175.9	-76.5	-85	0	0	0	114.2	M240 F241 T246 E256 H259 I260 Q263	M240-Y244 HydrophobicContact CG-CD2 4.08Å; M240-Y244 HydrophobicContact CG-CE2 4.27Å; M240-Y244 WeakPolarHBondContact O-CD2 3.13Å; F241-Y244 PolarHBondContact O-N 3.16Å; F241-Y244 VanDerWaalsContact O-N 3.11Å; Y244-T246 VanDerWaalsContact C-N 3.26Å; Y244-T246 PolarHBondContact O-N 2.67Å; Y244-T246 PolarHBondContact O-OG1 3.49Å; Y244-E256 VanDerWaalsContact O-CD 3.29Å; Y244-E256 VanDerWaalsContact O-CG 3.32Å; Y244-E256 WeakPolarHBondContact O-CG 3.38Å; Y244-E256 VanDerWaalsContact O-OE1 3.1Å; Y244-H259 HydrophobicContact CD1-CB 3.99Å; Y244-H259 HydrophobicContact CE1-CB 3.98Å; Y244-I260 HydrophobicContact CD1-CG1 3.59Å; Y244-I260 HydrophobicContact CD2-CD1 4.29Å; Y244-I260 HydrophobicContact CD2-CG1 3.57Å; Y244-I260 HydrophobicContact CE1-CG1 4.12Å; Y244-I260 HydrophobicContact CE2-CG1 4.09Å; Y244-I260 HydrophobicContact CG-CD1 3.95Å; Y244-I260 HydrophobicContact CG-CG1 3.29Å; Y244-Q263 WeakPolarHBondContact OH-CB 3.32Å; Y244-Q263 WeakPolarHBondContact OH-CG 3.23Å
245	D	76.8	Confident	75.1	Confident	24 Å²	24	51.7 Å²	51.7	13%	0.128	29%	0.293	C	S	.	.			trans	-60.8	87.4	158.4	176.7	2.8	0	0	0	108	F241 G248 N249 G250 L252	F241-D245 HydrophobicContact CD1-CB 4.28Å; F241-D245 HydrophobicContact CE1-CB 4.2Å; F241-D245 WeakPolarHBondContact O-CB 3.44Å; F241-D245 PolarHBondContact O-N 3.49Å; D245-G248 VanDerWaalsContact OD1-C 3.24Å; D245-G248 WeakPolarHBondContact OD1-CA 3.41Å; D245-G248 PolarHBondContact OD1-N 3.16Å; D245-N249 PolarHBondContact OD1-N 3.44Å; D245-G250 PolarHBondContact OD1-N 3.25Å; D245-G250 VanDerWaalsContact OD2-CA 3.28Å; D245-G250 WeakPolarHBondContact OD2-CA 3.17Å; D245-G250 PolarHBondContact OD2-N 2.93Å; D245-G250 VanDerWaalsContact OD2-N 3.11Å; D245-L252 HydrophobicContact CB-CD2 4.29Å
246	T	67.8	Low	76	Confident	72 Å²	72	48 Å²	48	44%	0.442	27%	0.273	S	S	.	.			trans	-91.3	-23.2	-160.9	-60.3	0	0	0	0	112.3	Y244 E256	Y244-T246 VanDerWaalsContact C-N 3.26Å; Y244-T246 PolarHBondContact O-N 2.67Å; Y244-T246 PolarHBondContact O-OG1 3.49Å; T246-E256 PolarHBondContact N-OE1 2.97Å
247	D	70.7	Confident	76.6	Confident	117 Å²	117	48.1 Å²	48.1	63%	0.626	27%	0.274	S	S	*	.	S	Bend	trans	-96.6	-8.2	170.2	74.1	-3.6	0	0	0	113.3	N249	D247-N249 VanDerWaalsContact OD1-CB 3.22Å; D247-N249 WeakPolarHBondContact OD1-CB 3.09Å; D247-N249 VanDerWaalsContact OD1-CG 3.27Å; D247-N249 PolarHBondContact OD1-N 2.92Å; D247-N249 PolarHBondContact OD1-ND2 3.42Å; D247-N249 PolarHBondContact OD2-ND2 3.02Å
248	G	72.8	Confident	76.8	Confident	58 Å²	58	50.3 Å²	50.3	60%	0.598	29%	0.286	S	S	*	.			trans	77.8	21.1	177.8	0	0	0	0	0	114	D245 G250	D245-G248 VanDerWaalsContact OD1-C 3.24Å; D245-G248 WeakPolarHBondContact OD1-CA 3.41Å; D245-G248 PolarHBondContact OD1-N 3.16Å; G248-G250 VanDerWaalsContact C-N 3.31Å; G248-G250 PolarHBondContact O-N 3.38Å
249	N	77.1	Confident	76.7	Confident	79 Å²	79	52.5 Å²	52.5	42%	0.422	30%	0.296	S	S	.	.	S	Bend	trans	-75	-16.4	-176.6	81.8	63.7	0	0	0	113.9	D245 D247 L251	D245-N249 PolarHBondContact OD1-N 3.44Å; D247-N249 VanDerWaalsContact OD1-CB 3.22Å; D247-N249 WeakPolarHBondContact OD1-CB 3.09Å; D247-N249 VanDerWaalsContact OD1-CG 3.27Å; D247-N249 PolarHBondContact OD1-N 2.92Å; D247-N249 PolarHBondContact OD1-ND2 3.42Å; D247-N249 PolarHBondContact OD2-ND2 3.02Å; N249-L251 WeakPolarHBondContact OD1-CA 3.37Å; N249-L251 WeakPolarHBondContact OD1-CB 3.19Å; N249-L251 VanDerWaalsContact OD1-CG 3.23Å; N249-L251 WeakPolarHBondContact OD1-CG 3.4Å; N249-L251 PolarHBondContact OD1-N 3.02Å
250	G	78.6	Confident	77	Confident	35 Å²	35	49.7 Å²	49.7	36%	0.361	28%	0.283	S	S	.	.	S	Bend	trans	89.3	10.5	179.4	0	0	0	0	0	115.3	F241 D245 G248	F241-G250 VanDerWaalsContact CZ-O 3.31Å; F241-G250 WeakPolarHBondContact CZ-O 3.26Å; D245-G250 PolarHBondContact OD1-N 3.25Å; D245-G250 VanDerWaalsContact OD2-CA 3.28Å; D245-G250 WeakPolarHBondContact OD2-CA 3.17Å; D245-G250 PolarHBondContact OD2-N 2.93Å; D245-G250 VanDerWaalsContact OD2-N 3.11Å; G248-G250 VanDerWaalsContact C-N 3.31Å; G248-G250 PolarHBondContact O-N 3.38Å
251	L	85.8	Confident	77.2	Confident	59 Å²	59	49.1 Å²	49.1	31%	0.309	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	154.1	172.4	-47.8	171.2	0	0	0	108.5	N249 T296 V297 T298	N249-L251 WeakPolarHBondContact OD1-CA 3.37Å; N249-L251 WeakPolarHBondContact OD1-CB 3.19Å; N249-L251 VanDerWaalsContact OD1-CG 3.23Å; N249-L251 WeakPolarHBondContact OD1-CG 3.4Å; N249-L251 PolarHBondContact OD1-N 3.02Å; L251-T296 HydrophobicContact CD1-CG2 4.49Å; L251-V297 WeakPolarHBondContact CA-O 3.31Å; L251-T298 HydrophobicContact CD2-CG2 3.68Å
252	L	86	Confident	77	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	122.6	165.2	-70	169.4	0	0	0	109.9	F241 D245 E256 L257 I260 T296 V297 W302	F241-L252 HydrophobicContact CD2-CD1 3.43Å; F241-L252 VanDerWaalsContact CD2-CD1 3.43Å; F241-L252 HydrophobicContact CD2-CG 3.75Å; F241-L252 HydrophobicContact CE2-CB 4.33Å; F241-L252 HydrophobicContact CE2-CD1 3.66Å; F241-L252 HydrophobicContact CE2-CG 3.56Å; F241-L252 HydrophobicContact CG-CD1 4.24Å; F241-L252 HydrophobicContact CG-CG 4.4Å; F241-L252 HydrophobicContact CZ-CG 4.06Å; D245-L252 HydrophobicContact CB-CD2 4.29Å; L252-E256 WeakPolarHBondContact CA-OE2 3.45Å; L252-E256 HydrophobicContact CD2-CB 4.04Å; L252-L257 HydrophobicContact CB-CD2 4Å; L252-L257 HydrophobicContact CB-CG 4.05Å; L252-L257 HydrophobicContact CD1-CD2 4.16Å; L252-I260 HydrophobicContact CD1-CD1 3.69Å; L252-I260 HydrophobicContact CD2-CD1 3.98Å; L252-I260 HydrophobicContact CG-CD1 4.43Å; L252-T296 WeakPolarHBondContact O-CA 3.31Å; L252-V297 HydrophobicContact CB-CB 4.4Å; L252-V297 PolarHBondContact N-O 3.2Å; L252-V297 PolarHBondContact O-N 2.92Å; L252-W302 HydrophobicContact CD1-CD2 3.88Å; L252-W302 HydrophobicContact CD1-CE3 3.92Å; L252-W302 HydrophobicContact CD1-CG 4.37Å; L252-W302 HydrophobicContact CD1-CH2 4.26Å; L252-W302 HydrophobicContact CD1-CZ2 4.18Å; L252-W302 HydrophobicContact CD1-CZ3 4.14Å
253	D	85.3	Confident	76.8	Confident	55 Å²	55	46.7 Å²	46.7	29%	0.294	28%	0.277	S	S	.	.			trans	-84.6	171.2	179	119.3	-56.9	0	0	0	112.8	S255 E256 L257	D253-S255 PolarHBondContact O-N 3.27Å; D253-S255 VanDerWaalsContact O-N 3.17Å; D253-S255 VanDerWaalsContact OD1-CA 3.27Å; D253-S255 WeakPolarHBondContact OD1-CA 3.32Å; D253-S255 VanDerWaalsContact OD1-CB 3.23Å; D253-S255 WeakPolarHBondContact OD1-CB 3.35Å; D253-S255 PolarHBondContact OD1-N 2.68Å; D253-S255 PolarHBondContact OD1-OG 3.41Å; D253-E256 PolarHBondContact N-OE2 3.25Å; D253-E256 PolarHBondContact O-N 3.31Å; D253-E256 PolarHBondContact OD1-N 2.93Å; D253-L257 WeakPolarHBondContact O-CB 3.31Å; D253-L257 VanDerWaalsContact O-CG 3.27Å; D253-L257 WeakPolarHBondContact O-CG 3.35Å; D253-L257 PolarHBondContact O-N 3.44Å
254	S	83.3	Confident	76.8	Confident	86 Å²	86	46.4 Å²	46.4	60%	0.601	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-21.2	-179.3	69.9	0	0	0	0	115.1
255	S	80.4	Confident	76.7	Confident	59 Å²	59	45.3 Å²	45.3	41%	0.413	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-40.5	175.9	82.5	0	0	0	0	111.7	D253 D258 H259	D253-S255 PolarHBondContact O-N 3.27Å; D253-S255 VanDerWaalsContact O-N 3.17Å; D253-S255 VanDerWaalsContact OD1-CA 3.27Å; D253-S255 WeakPolarHBondContact OD1-CA 3.32Å; D253-S255 VanDerWaalsContact OD1-CB 3.23Å; D253-S255 WeakPolarHBondContact OD1-CB 3.35Å; D253-S255 PolarHBondContact OD1-N 2.68Å; D253-S255 PolarHBondContact OD1-OG 3.41Å; S255-D258 PolarHBondContact O-N 3.49Å; S255-D258 VanDerWaalsContact O-N 3.13Å; S255-H259 PolarHBondContact O-N 3.02Å; S255-H259 PolarHBondContact O-ND1 3.04Å
256	E	83.3	Confident	76	Confident	14 Å²	14	49.4 Å²	49.4	7%	0.065	29%	0.29	C	S	.	.	H	α-helix	trans	-65.3	-43.8	176.5	-65.5	170.5	140.8	0	0	110.8	Y244 T246 L252 D253 D258 H259 I260	Y244-E256 VanDerWaalsContact O-CD 3.29Å; Y244-E256 VanDerWaalsContact O-CG 3.32Å; Y244-E256 WeakPolarHBondContact O-CG 3.38Å; Y244-E256 VanDerWaalsContact O-OE1 3.1Å; T246-E256 PolarHBondContact N-OE1 2.97Å; L252-E256 WeakPolarHBondContact CA-OE2 3.45Å; L252-E256 HydrophobicContact CD2-CB 4.04Å; D253-E256 PolarHBondContact N-OE2 3.25Å; D253-E256 PolarHBondContact O-N 3.31Å; D253-E256 PolarHBondContact OD1-N 2.93Å; E256-D258 PolarHBondContact O-N 2.86Å; E256-H259 WeakPolarHBondContact O-CB 3.28Å; E256-H259 PolarHBondContact O-N 2.96Å; E256-H259 VanDerWaalsContact O-N 3.08Å; E256-I260 WeakPolarHBondContact O-CG1 3.37Å; E256-I260 PolarHBondContact O-N 3.34Å
257	L	81.1	Confident	75.6	Confident	16 Å²	16	47 Å²	47	8%	0.084	28%	0.275	C	S	.	.	H	α-helix	trans	-56.7	-36.9	170.5	-70	169.5	0	0	0	112.1	L252 D253 I260 I261 M286 V297 W302	L252-L257 HydrophobicContact CB-CD2 4Å; L252-L257 HydrophobicContact CB-CG 4.05Å; L252-L257 HydrophobicContact CD1-CD2 4.16Å; D253-L257 WeakPolarHBondContact O-CB 3.31Å; D253-L257 VanDerWaalsContact O-CG 3.27Å; D253-L257 WeakPolarHBondContact O-CG 3.35Å; D253-L257 PolarHBondContact O-N 3.44Å; L257-I260 HydrophobicContact CD2-CD1 4.44Å; L257-I260 PolarHBondContact O-N 3.5Å; L257-I261 WeakPolarHBondContact O-CD1 3.23Å; L257-I261 WeakPolarHBondContact O-CG1 3.32Å; L257-I261 PolarHBondContact O-N 3.47Å; L257-M286 HydrophobicContact CD2-CB 4.5Å; L257-M286 HydrophobicContact CD2-CG 4.37Å; L257-V297 HydrophobicContact CD1-CB 4.48Å; L257-V297 HydrophobicContact CD1-CG2 3.88Å; L257-V297 HydrophobicContact CD2-CG2 4.4Å; L257-W302 HydrophobicContact CD2-CE3 4.37Å; L257-W302 HydrophobicContact CD2-CH2 4.34Å; L257-W302 HydrophobicContact CD2-CZ3 3.7Å
258	D	79	Confident	75.1	Confident	46 Å²	46	41.4 Å²	41.4	25%	0.246	25%	0.245	C	C	.	.	H	α-helix	trans	-72.9	-32.4	176.4	-118.8	48.8	0	0	0	112.9	S255 E256 I261 N262 K283	S255-D258 PolarHBondContact O-N 3.49Å; S255-D258 VanDerWaalsContact O-N 3.13Å; E256-D258 PolarHBondContact O-N 2.86Å; D258-I261 PolarHBondContact O-N 3.4Å; D258-N262 WeakPolarHBondContact O-CB 3.18Å; D258-N262 PolarHBondContact O-N 2.88Å; D258-N262 PolarHBondContact O-ND2 2.84Å; D258-N262 PolarHBondContact O-OD1 2.84Å; D258-K283 IonicContact OD1-NZ 3.49Å; D258-K283 PolarHBondContact OD1-NZ 3.34Å; D258-K283 IonicContact OD2-NZ 3.23Å; D258-K283 PolarHBondContact OD2-NZ 3.47Å
259	H	72.8	Confident	74.6	Confident	114 Å²	114	42.6 Å²	42.6	53%	0.528	24%	0.236	S	C	.	.	H	α-helix	trans	-63	-44.2	169.7	-70.5	90.5	0	0	0	111.3	Y244 S255 E256 I261 N262 Q263	Y244-H259 HydrophobicContact CD1-CB 3.99Å; Y244-H259 HydrophobicContact CE1-CB 3.98Å; S255-H259 PolarHBondContact O-N 3.02Å; S255-H259 PolarHBondContact O-ND1 3.04Å; E256-H259 WeakPolarHBondContact O-CB 3.28Å; E256-H259 PolarHBondContact O-N 2.96Å; E256-H259 VanDerWaalsContact O-N 3.08Å; H259-I261 PolarHBondContact O-N 2.82Å; H259-N262 PolarHBondContact O-N 3Å; H259-Q263 PolarHBondContact O-N 2.84Å
260	I	74.6	Confident	73.5	Confident	1 Å²	1	41.4 Å²	41.4	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-61.7	-44.6	176.2	-61.2	163.7	0	0	0	111	M240 Y244 L252 E256 L257 N262 Q263 M264 M286 W302	M240-I260 HydrophobicContact SD-CG2 4.12Å; Y244-I260 HydrophobicContact CD1-CG1 3.59Å; Y244-I260 HydrophobicContact CD2-CD1 4.29Å; Y244-I260 HydrophobicContact CD2-CG1 3.57Å; Y244-I260 HydrophobicContact CE1-CG1 4.12Å; Y244-I260 HydrophobicContact CE2-CG1 4.09Å; Y244-I260 HydrophobicContact CG-CD1 3.95Å; Y244-I260 HydrophobicContact CG-CG1 3.29Å; L252-I260 HydrophobicContact CD1-CD1 3.69Å; L252-I260 HydrophobicContact CD2-CD1 3.98Å; L252-I260 HydrophobicContact CG-CD1 4.43Å; E256-I260 WeakPolarHBondContact O-CG1 3.37Å; E256-I260 PolarHBondContact O-N 3.34Å; L257-I260 HydrophobicContact CD2-CD1 4.44Å; L257-I260 PolarHBondContact O-N 3.5Å; I260-N262 VanDerWaalsContact C-N 3.33Å; I260-N262 PolarHBondContact O-N 3.38Å; I260-Q263 PolarHBondContact O-N 2.89Å; I260-M264 HydrophobicContact CG2-CE 3.16Å; I260-M264 HydrophobicContact CG2-SD 3.89Å; I260-M264 WeakPolarHBondContact O-CG 3.39Å; I260-M264 PolarHBondContact O-N 3.09Å; I260-M286 HydrophobicContact CG2-CE 4.03Å; I260-W302 HydrophobicContact CD1-CH2 3.75Å; I260-W302 HydrophobicContact CD1-CZ2 3.94Å; I260-W302 HydrophobicContact CG2-CH2 3.84Å; I260-W302 HydrophobicContact CG2-CZ2 4.17Å
261	I	75.6	Confident	72.1	Confident	3 Å²	3	43.4 Å²	43.4	2%	0.015	23%	0.227	C	C	.	.	H	α-helix	trans	-60.6	-41.2	175.7	-70.1	165.2	0	0	0	111.3	L257 D258 H259 M264 V265 R279 L282 K283 M286	L257-I261 WeakPolarHBondContact O-CD1 3.23Å; L257-I261 WeakPolarHBondContact O-CG1 3.32Å; L257-I261 PolarHBondContact O-N 3.47Å; D258-I261 PolarHBondContact O-N 3.4Å; H259-I261 PolarHBondContact O-N 2.82Å; I261-M264 PolarHBondContact O-N 3.1Å; I261-V265 WeakPolarHBondContact O-CG2 3.41Å; I261-V265 PolarHBondContact O-N 3.41Å; I261-R279 HydrophobicContact CG2-CG 4.08Å; I261-L282 HydrophobicContact CG1-CB 4.14Å; I261-L282 HydrophobicContact CG2-CB 3.85Å; I261-L282 HydrophobicContact CG2-CD1 4.22Å; I261-K283 HydrophobicContact CD1-CB 4.48Å; I261-K283 HydrophobicContact CD1-CG 3.75Å; I261-K283 HydrophobicContact CG2-CG 4.42Å; I261-M286 HydrophobicContact CD1-CB 4.4Å; I261-M286 HydrophobicContact CD1-CG 3.65Å; I261-M286 HydrophobicContact CG1-CE 3.9Å; I261-M286 HydrophobicContact CG1-CG 3.84Å
262	N	73.9	Confident	70.7	Confident	46 Å²	46	49.1 Å²	49.1	25%	0.246	25%	0.252	C	S	.	.	H	α-helix	trans	-64.5	-43	179.1	-63.5	-24.9	0	0	0	111.3	D258 H259 I260 M264 V265 H266 R279	D258-N262 WeakPolarHBondContact O-CB 3.18Å; D258-N262 PolarHBondContact O-N 2.88Å; D258-N262 PolarHBondContact O-ND2 2.84Å; D258-N262 PolarHBondContact O-OD1 2.84Å; H259-N262 PolarHBondContact O-N 3Å; I260-N262 VanDerWaalsContact C-N 3.33Å; I260-N262 PolarHBondContact O-N 3.38Å; N262-M264 VanDerWaalsContact C-N 3.33Å; N262-M264 PolarHBondContact O-N 2.88Å; N262-V265 PolarHBondContact O-N 2.88Å; N262-H266 PolarHBondContact O-CD2 2.97Å; N262-H266 PolarHBondContact O-N 2.66Å; N262-R279 VanDerWaalsContact OD1-CZ 3.29Å; N262-R279 PolarHBondContact OD1-NE 2.95Å; N262-R279 PolarHBondContact OD1-NH2 2.72Å
263	Q	66.4	Low	69.5	Low	50 Å²	50	53.6 Å²	53.6	23%	0.234	27%	0.269	C	S	.	.	H	α-helix	trans	-62	-41.3	174.6	-170.1	71.6	-16	0	0	111.8	C223 Y244 H259 I260 V265 H266 V267	C223-Q263 PolarHBondContact SG-NE2 2.81Å; C223-Q263 VanDerWaalsContact SG-NE2 3.38Å; Y244-Q263 WeakPolarHBondContact OH-CB 3.32Å; Y244-Q263 WeakPolarHBondContact OH-CG 3.23Å; H259-Q263 PolarHBondContact O-N 2.84Å; I260-Q263 PolarHBondContact O-N 2.89Å; Q263-V265 VanDerWaalsContact C-N 3.32Å; Q263-V265 PolarHBondContact O-N 3.12Å; Q263-H266 PolarHBondContact O-N 2.73Å; Q263-H266 VanDerWaalsContact O-N 3.15Å; Q263-V267 WeakPolarHBondContact O-CG2 3.43Å; Q263-V267 PolarHBondContact O-N 3.05Å
264	M	69.2	Low	68.5	Low	8 Å²	8	54.7 Å²	54.7	4%	0.039	28%	0.275	C	S	.	.	H	α-helix	trans	-65	-32.9	176.6	-79.4	166.8	-161.6	0	0	113.7	M240 I260 I261 N262 A268 L282 M286 L312 L315	M240-M264 HydrophobicContact CE-CE 3.41Å; M240-M264 VanDerWaalsContact CE-CE 3.41Å; M240-M264 HydrophobicContact SD-CE 3.32Å; M240-M264 WeakPolarHBondContact SD-CE 3.24Å; I260-M264 HydrophobicContact CG2-CE 3.16Å; I260-M264 HydrophobicContact CG2-SD 3.89Å; I260-M264 WeakPolarHBondContact O-CG 3.39Å; I260-M264 PolarHBondContact O-N 3.09Å; I261-M264 PolarHBondContact O-N 3.1Å; N262-M264 VanDerWaalsContact C-N 3.33Å; N262-M264 PolarHBondContact O-N 2.88Å; M264-A268 WeakPolarHBondContact O-CB 3.47Å; M264-A268 PolarHBondContact O-N 2.83Å; M264-A268 VanDerWaalsContact O-N 3.1Å; M264-L282 HydrophobicContact CB-CD1 3.73Å; M264-L282 HydrophobicContact CB-CD2 4.49Å; M264-M286 HydrophobicContact SD-CE 3.97Å; M264-L312 HydrophobicContact CE-CD1 3.08Å; M264-L312 HydrophobicContact SD-CD1 3.42Å; M264-L312 WeakPolarHBondContact SD-CD1 3.37Å; M264-L315 HydrophobicContact CB-CD1 3.98Å; M264-L315 HydrophobicContact CG-CB 4.33Å; M264-L315 HydrophobicContact CG-CD1 4.2Å
265	V	69.6	Low	67.7	Low	10 Å²	10	52 Å²	52	6%	0.061	26%	0.257	C	S	.	.	H	α-helix	trans	-65.2	-47.1	169.8	169.8	0	0	0	0	110.3	I261 N262 Q263 V267 A268 E269 R279 L282	I261-V265 WeakPolarHBondContact O-CG2 3.41Å; I261-V265 PolarHBondContact O-N 3.41Å; N262-V265 PolarHBondContact O-N 2.88Å; Q263-V265 VanDerWaalsContact C-N 3.32Å; Q263-V265 PolarHBondContact O-N 3.12Å; V265-V267 PolarHBondContact O-N 3.24Å; V265-A268 WeakPolarHBondContact O-CB 3.46Å; V265-A268 PolarHBondContact O-N 3.36Å; V265-A268 VanDerWaalsContact O-N 3.14Å; V265-E269 HydrophobicContact CG1-CG 4.29Å; V265-E269 VanDerWaalsContact O-CG 3.31Å; V265-E269 WeakPolarHBondContact O-CG 3.44Å; V265-E269 PolarHBondContact O-N 3.09Å; V265-R279 HydrophobicContact CG2-CB 3.81Å; V265-R279 HydrophobicContact CG2-CG 3.86Å; V265-L282 HydrophobicContact CG2-CD1 3.88Å
266	H	62.2	Low	67.3	Low	110 Å²	110	54.7 Å²	54.7	51%	0.509	27%	0.271	S	S	.	.	H	α-helix	trans	-65.4	-37.3	179.2	-67.7	-37.5	0	0	0	113.7	N262 Q263 A268 E269 Y270	N262-H266 PolarHBondContact O-CD2 2.97Å; N262-H266 PolarHBondContact O-N 2.66Å; Q263-H266 PolarHBondContact O-N 2.73Å; Q263-H266 VanDerWaalsContact O-N 3.15Å; H266-A268 VanDerWaalsContact C-N 3.31Å; H266-A268 PolarHBondContact O-N 2.81Å; H266-E269 IonicContact CE1-OE2 2.58Å; H266-E269 IonicContact CG-OE2 3.05Å; H266-E269 IonicContact ND1-OE2 3.87Å; H266-E269 PolarHBondContact ND1-OE2 3.3Å; H266-E269 PolarHBondContact O-N 2.92Å; H266-Y270 WeakPolarHBondContact O-CB 3.31Å; H266-Y270 PolarHBondContact O-N 2.79Å
267	V	59.1	Low	66.3	Low	20 Å²	20	57.6 Å²	57.6	12%	0.121	28%	0.284	C	S	.	.	H	α-helix	trans	-64.8	-36.1	172.3	173.8	0	0	0	0	111.2	L227 Q263 V265 L271 L315	L227-V267 HydrophobicContact CD1-CG1 4.23Å; L227-V267 HydrophobicContact CD1-CG2 3.65Å; Q263-V267 WeakPolarHBondContact O-CG2 3.43Å; Q263-V267 PolarHBondContact O-N 3.05Å; V265-V267 PolarHBondContact O-N 3.24Å; V267-L271 HydrophobicContact CG1-CD1 4.23Å; V267-L271 VanDerWaalsContact O-CG 3.27Å; V267-L271 WeakPolarHBondContact O-CG 3.36Å; V267-L271 PolarHBondContact O-N 3.12Å; V267-L271 VanDerWaalsContact O-N 3.16Å; V267-L315 HydrophobicContact CB-CD2 4.36Å; V267-L315 HydrophobicContact CG1-CD2 3.97Å
268	A	61.5	Low	65.7	Low	0 Å²	0	57 Å²	57	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-71.2	-40	175.2	0	0	0	0	0	112.6	M264 V265 H266 Y270 L271 E272 W273 L278 L315	M264-A268 WeakPolarHBondContact O-CB 3.47Å; M264-A268 PolarHBondContact O-N 2.83Å; M264-A268 VanDerWaalsContact O-N 3.1Å; V265-A268 WeakPolarHBondContact O-CB 3.46Å; V265-A268 PolarHBondContact O-N 3.36Å; V265-A268 VanDerWaalsContact O-N 3.14Å; H266-A268 VanDerWaalsContact C-N 3.31Å; H266-A268 PolarHBondContact O-N 2.81Å; A268-Y270 VanDerWaalsContact C-N 3.31Å; A268-Y270 PolarHBondContact O-N 3.2Å; A268-L271 CarbonylContact O-C 3.59Å; A268-L271 PolarHBondContact O-N 3.22Å; A268-L271 VanDerWaalsContact O-N 3.11Å; A268-E272 PolarHBondContact O-N 3.48Å; A268-W273 HydrophobicContact CB-CB 4.07Å; A268-W273 HydrophobicContact CB-CD2 4.26Å; A268-W273 HydrophobicContact CB-CE3 3.89Å; A268-W273 HydrophobicContact CB-CG 4.39Å; A268-W273 WeakPolarHBondContact O-CB 3.44Å; A268-W273 PolarHBondContact O-N 3.14Å; A268-L278 HydrophobicContact CB-CD2 3.17Å; A268-L315 HydrophobicContact CB-CD2 3.9Å
269	E	62.7	Low	65.5	Low	84 Å²	84	60.2 Å²	60.2	39%	0.393	29%	0.29	S	S	.	.	H	α-helix	trans	-61.4	-40.8	173.7	-71.3	170.6	158.8	0	0	111	V265 H266 L271 E272 S275	V265-E269 HydrophobicContact CG1-CG 4.29Å; V265-E269 VanDerWaalsContact O-CG 3.31Å; V265-E269 WeakPolarHBondContact O-CG 3.44Å; V265-E269 PolarHBondContact O-N 3.09Å; H266-E269 IonicContact CE1-OE2 2.58Å; H266-E269 IonicContact CG-OE2 3.05Å; H266-E269 IonicContact ND1-OE2 3.87Å; H266-E269 PolarHBondContact ND1-OE2 3.3Å; H266-E269 PolarHBondContact O-N 2.92Å; E269-L271 VanDerWaalsContact C-N 3.27Å; E269-L271 PolarHBondContact O-N 3.46Å; E269-E272 PolarHBondContact O-N 3.23Å; E269-E272 VanDerWaalsContact O-N 3.16Å; E269-S275 VanDerWaalsContact OE1-CB 3.24Å; E269-S275 WeakPolarHBondContact OE1-CB 3.25Å; E269-S275 PolarHBondContact OE1-OG 3.5Å
270	Y	52.8	Low	65.6	Low	53 Å²	53	58.4 Å²	58.4	21%	0.208	29%	0.288	C	S	.	.	H	α-helix	trans	-60	-34.8	172.2	-175.2	-96.3	0	0	0	113.1	C8 L9 F14 H266 A268 E272	C8-Y270 HydrophobicContact CB-CD2 4.36Å; C8-Y270 HydrophobicContact CB-CE2 4.4Å; L9-Y270 HydrophobicContact CB-CE2 4.48Å; L9-Y270 VanDerWaalsContact O-CE2 3.26Å; L9-Y270 WeakPolarHBondContact O-CE2 3.45Å; L9-Y270 PolarHBondContact O-OH 3.28Å; F14-Y270 VanDerWaalsContact CB-OH 3.23Å; F14-Y270 WeakPolarHBondContact CB-OH 3.18Å; F14-Y270 AromaticContact CD2-CE1 3.79Å; F14-Y270 HydrophobicContact CD2-CE1 3.79Å; F14-Y270 AromaticContact CD2-CZ 3.9Å; F14-Y270 AromaticContact CE2-CE1 3.96Å; F14-Y270 HydrophobicContact CE2-CE1 3.96Å; F14-Y270 HydrophobicContact CG-CE1 4.24Å; H266-Y270 WeakPolarHBondContact O-CB 3.31Å; H266-Y270 PolarHBondContact O-N 2.79Å; A268-Y270 VanDerWaalsContact C-N 3.31Å; A268-Y270 PolarHBondContact O-N 3.2Å; Y270-E272 VanDerWaalsContact C-N 3.26Å; Y270-E272 PolarHBondContact O-N 2.99Å
271	L	50.6	Low	65.3	Low	77 Å²	77	60.1 Å²	60.1	40%	0.403	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	14.1	177.8	-66.5	171.5	0	0	0	113.9	V267 A268 E269 W273	V267-L271 HydrophobicContact CG1-CD1 4.23Å; V267-L271 VanDerWaalsContact O-CG 3.27Å; V267-L271 WeakPolarHBondContact O-CG 3.36Å; V267-L271 PolarHBondContact O-N 3.12Å; V267-L271 VanDerWaalsContact O-N 3.16Å; A268-L271 CarbonylContact O-C 3.59Å; A268-L271 PolarHBondContact O-N 3.22Å; A268-L271 VanDerWaalsContact O-N 3.11Å; E269-L271 VanDerWaalsContact C-N 3.27Å; E269-L271 PolarHBondContact O-N 3.46Å; L271-W273 VanDerWaalsContact C-N 3.3Å; L271-W273 HydrophobicContact CB-CG 4.47Å; L271-W273 HydrophobicContact CD1-CZ2 4.44Å; L271-W273 PolarHBondContact O-N 2.92Å
272	E	54.3	Low	65	Low	179 Å²	179	60 Å²	60	84%	0.836	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.8	29.4	-176.1	-56.5	-175.6	179.6	0	0	114.4	A268 E269 Y270	A268-E272 PolarHBondContact O-N 3.48Å; E269-E272 PolarHBondContact O-N 3.23Å; E269-E272 VanDerWaalsContact O-N 3.16Å; Y270-E272 VanDerWaalsContact C-N 3.26Å; Y270-E272 PolarHBondContact O-N 2.99Å
273	W	61.1	Low	65.3	Low	94 Å²	94	61.4 Å²	61.4	36%	0.356	30%	0.3	S	S	.	.			trans	-86	148.7	175.1	-61.8	11.1	0	0	0	111.5	A268 L271 S275 V314 L315	A268-W273 HydrophobicContact CB-CB 4.07Å; A268-W273 HydrophobicContact CB-CD2 4.26Å; A268-W273 HydrophobicContact CB-CE3 3.89Å; A268-W273 HydrophobicContact CB-CG 4.39Å; A268-W273 WeakPolarHBondContact O-CB 3.44Å; A268-W273 PolarHBondContact O-N 3.14Å; L271-W273 VanDerWaalsContact C-N 3.3Å; L271-W273 HydrophobicContact CB-CG 4.47Å; L271-W273 HydrophobicContact CD1-CZ2 4.44Å; L271-W273 PolarHBondContact O-N 2.92Å; W273-S275 PolarHBondContact O-N 3.45Å; W273-S275 VanDerWaalsContact O-N 3.11Å; W273-V314 HydrophobicContact CH2-CB 4.31Å; W273-V314 HydrophobicContact CH2-CG1 3.65Å; W273-V314 HydrophobicContact CZ2-CG1 3.86Å; W273-L315 HydrophobicContact CE3-CD2 4.39Å; W273-L315 HydrophobicContact CH2-CD2 4.18Å; W273-L315 HydrophobicContact CH2-CG 4.47Å; W273-L315 HydrophobicContact CZ3-CD2 3.91Å; W273-L315 HydrophobicContact CZ3-CG 4.23Å
274	D	65.6	Low	65.7	Low	78 Å²	78	63.6 Å²	63.6	42%	0.417	31%	0.311	S	S	.	.			trans	-72.1	102.6	173.9	-174	-10.9	0	0	0	110.6	I112 T276	I112-D274 HydrophobicContact CD1-CB 4.12Å; I112-D274 WeakPolarHBondContact CD1-OD2 3.27Å; I112-D274 HydrophobicContact CG1-CB 4.09Å; D274-T276 PolarHBondContact O-N 3.41Å; D274-T276 WeakPolarHBondContact OD1-CB 3.21Å; D274-T276 PolarHBondContact OD1-N 2.78Å; D274-T276 PolarHBondContact OD1-OG1 2.92Å
275	S	66.4	Low	65.8	Low	30 Å²	30	64 Å²	64	21%	0.21	31%	0.312	C	S	.	.	H	α-helix	trans	-72.3	-12.7	-179.4	58.5	0	0	0	0	114.2	E269 W273 E277 L278	E269-S275 VanDerWaalsContact OE1-CB 3.24Å; E269-S275 WeakPolarHBondContact OE1-CB 3.25Å; E269-S275 PolarHBondContact OE1-OG 3.5Å; W273-S275 PolarHBondContact O-N 3.45Å; W273-S275 VanDerWaalsContact O-N 3.11Å; S275-E277 PolarHBondContact O-N 2.73Å; S275-L278 PolarHBondContact O-N 3.1Å; S275-L278 VanDerWaalsContact O-N 3.12Å
276	T	70.9	Confident	66.1	Low	115 Å²	115	63.9 Å²	63.9	71%	0.706	31%	0.311	S	S	*	.	H	α-helix	trans	-61.8	-39.6	-172.7	-41	0	0	0	0	112.8	D274	D274-T276 PolarHBondContact O-N 3.41Å; D274-T276 WeakPolarHBondContact OD1-CB 3.21Å; D274-T276 PolarHBondContact OD1-N 2.78Å; D274-T276 PolarHBondContact OD1-OG1 2.92Å
277	E	63.3	Low	66.9	Low	75 Å²	75	65.8 Å²	65.8	35%	0.35	32%	0.318	S	S	.	.	H	α-helix	trans	-95.6	-13.2	174.2	-67.4	-171.1	164.5	0	0	112.8	I112 S275 P280 I281	I112-E277 WeakPolarHBondContact CB-OE2 3.46Å; I112-E277 HydrophobicContact CG2-CB 4.43Å; I112-E277 VanDerWaalsContact CG2-OE2 3.24Å; I112-E277 WeakPolarHBondContact CG2-OE2 3.33Å; S275-E277 PolarHBondContact O-N 2.73Å; E277-P280 WeakPolarHBondContact O-CD 3.35Å; E277-P280 WeakPolarHBondContact O-CG 3.49Å; E277-I281 WeakPolarHBondContact O-CD1 3.4Å; E277-I281 VanDerWaalsContact O-CG1 3.31Å; E277-I281 WeakPolarHBondContact O-CG1 3.39Å
278	L	67.9	Low	67.7	Low	5 Å²	5	71.7 Å²	71.7	3%	0.026	35%	0.345	C	S	.	.	H	α-helix	trans	-73.7	-46	-172.5	-176.5	64.9	0	0	0	113.6	M116 A268 S275 I281 L282	M116-L278 HydrophobicContact CE-CD1 4.14Å; A268-L278 HydrophobicContact CB-CD2 3.17Å; S275-L278 PolarHBondContact O-N 3.1Å; S275-L278 VanDerWaalsContact O-N 3.12Å; L278-I281 WeakPolarHBondContact O-CB 3.33Å; L278-I281 PolarHBondContact O-N 2.83Å; L278-L282 HydrophobicContact CD1-CD1 4.31Å; L278-L282 HydrophobicContact CD1-CD2 4.45Å; L278-L282 HydrophobicContact CD1-CG 4.12Å; L278-L282 HydrophobicContact CD2-CD1 4.22Å; L278-L282 HydrophobicContact CG-CD1 3.82Å; L278-L282 HydrophobicContact CG-CG 4.09Å; L278-L282 WeakPolarHBondContact O-CG 3.31Å; L278-L282 PolarHBondContact O-N 2.85Å
279	R	74.2	Confident	68.6	Low	113 Å²	113	71.8 Å²	71.8	43%	0.426	35%	0.345	S	S	.	.	H	α-helix	trans	-58.3	-41.3	-176.3	-160.7	169.7	-174.9	-166.3	-1.3	114.3	I261 N262 V265 K283	I261-R279 HydrophobicContact CG2-CG 4.08Å; N262-R279 VanDerWaalsContact OD1-CZ 3.29Å; N262-R279 PolarHBondContact OD1-NE 2.95Å; N262-R279 PolarHBondContact OD1-NH2 2.72Å; V265-R279 HydrophobicContact CG2-CB 3.81Å; V265-R279 HydrophobicContact CG2-CG 3.86Å; R279-K283 PolarHBondContact O-N 3.13Å; R279-K283 VanDerWaalsContact O-N 3.1Å
280	P	74.8	Confident	69.6	Low	75 Å²	75	68.9 Å²	68.9	49%	0.487	33%	0.332	S	S	.	.	H	α-helix	trans	-68.6	-34.3	172.6	25.4	-33	0	0	0	113	E277 K283 E284	E277-P280 WeakPolarHBondContact O-CD 3.35Å; E277-P280 WeakPolarHBondContact O-CG 3.49Å; P280-K283 PolarHBondContact O-N 3.2Å; P280-E284 PolarHBondContact O-N 3.41Å
281	I	69.1	Low	70.7	Confident	38 Å²	38	70.7 Å²	70.7	20%	0.195	35%	0.345	C	S	.	.	H	α-helix	trans	-62.9	-43.9	175	-66.9	170.2	0	0	0	110.4	M116 E277 L278 K283 E284 M285	M116-I281 HydrophobicContact SD-CD1 3.56Å; M116-I281 VanDerWaalsContact SD-CD1 3.56Å; E277-I281 WeakPolarHBondContact O-CD1 3.4Å; E277-I281 VanDerWaalsContact O-CG1 3.31Å; E277-I281 WeakPolarHBondContact O-CG1 3.39Å; L278-I281 WeakPolarHBondContact O-CB 3.33Å; L278-I281 PolarHBondContact O-N 2.83Å; I281-K283 VanDerWaalsContact C-N 3.34Å; I281-K283 PolarHBondContact O-N 3.13Å; I281-E284 PolarHBondContact O-N 3.12Å; I281-M285 WeakPolarHBondContact O-CB 3.46Å; I281-M285 PolarHBondContact O-N 2.87Å
282	L	70.4	Confident	72.1	Confident	0 Å²	0	71.1 Å²	71.1	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-63.9	-36.7	175.1	-65.4	172.3	0	0	0	112.2	I261 M264 V265 L278 M285 M286 L315	I261-L282 HydrophobicContact CG1-CB 4.14Å; I261-L282 HydrophobicContact CG2-CB 3.85Å; I261-L282 HydrophobicContact CG2-CD1 4.22Å; M264-L282 HydrophobicContact CB-CD1 3.73Å; M264-L282 HydrophobicContact CB-CD2 4.49Å; V265-L282 HydrophobicContact CG2-CD1 3.88Å; L278-L282 HydrophobicContact CD1-CD1 4.31Å; L278-L282 HydrophobicContact CD1-CD2 4.45Å; L278-L282 HydrophobicContact CD1-CG 4.12Å; L278-L282 HydrophobicContact CD2-CD1 4.22Å; L278-L282 HydrophobicContact CG-CD1 3.82Å; L278-L282 HydrophobicContact CG-CG 4.09Å; L278-L282 WeakPolarHBondContact O-CG 3.31Å; L278-L282 PolarHBondContact O-N 2.85Å; L282-M285 HydrophobicContact CD2-CE 3.57Å; L282-M285 HydrophobicContact CD2-SD 3.75Å; L282-M285 WeakPolarHBondContact O-CB 3.48Å; L282-M285 PolarHBondContact O-N 3.15Å; L282-M286 WeakPolarHBondContact O-CG 3.42Å; L282-M286 PolarHBondContact O-N 3.07Å; L282-L315 HydrophobicContact CD2-CD1 4.36Å
283	K	78.4	Confident	73.4	Confident	75 Å²	75	72.4 Å²	72.4	33%	0.326	35%	0.345	S	S	.	.	H	α-helix	trans	-72.2	-24.4	174.3	-76.8	176.4	177.1	-77.7	0	114.4	D258 I261 R279 P280 I281 K287	D258-K283 IonicContact OD1-NZ 3.49Å; D258-K283 PolarHBondContact OD1-NZ 3.34Å; D258-K283 IonicContact OD2-NZ 3.23Å; D258-K283 PolarHBondContact OD2-NZ 3.47Å; I261-K283 HydrophobicContact CD1-CB 4.48Å; I261-K283 HydrophobicContact CD1-CG 3.75Å; I261-K283 HydrophobicContact CG2-CG 4.42Å; R279-K283 PolarHBondContact O-N 3.13Å; R279-K283 VanDerWaalsContact O-N 3.1Å; P280-K283 PolarHBondContact O-N 3.2Å; I281-K283 VanDerWaalsContact C-N 3.34Å; I281-K283 PolarHBondContact O-N 3.13Å; K283-K287 WeakPolarHBondContact O-CD 3.3Å; K283-K287 WeakPolarHBondContact O-CG 3.45Å
284	E	74.8	Confident	74.5	Confident	97 Å²	97	72.4 Å²	72.4	45%	0.453	35%	0.352	S	S	.	.	H	α-helix	trans	-77.8	-46	170.5	-172.1	167.5	-147.8	0	0	109.9	P280 I281 M286 K287 E288	P280-E284 PolarHBondContact O-N 3.41Å; I281-E284 PolarHBondContact O-N 3.12Å; E284-M286 PolarHBondContact O-N 2.9Å; E284-K287 WeakPolarHBondContact O-CA 3.45Å; E284-K287 WeakPolarHBondContact O-CB 3.49Å; E284-K287 PolarHBondContact O-N 2.86Å; E284-E288 PolarHBondContact O-N 2.95Å
285	M	72.5	Confident	75.2	Confident	15 Å²	15	70.7 Å²	70.7	7%	0.074	35%	0.352	C	S	.	.	H	α-helix	trans	-53.1	-49.6	175.8	-179.8	-170.4	93.3	0	0	113.4	I281 L282 K287 E288 I289 T309 P311 L312	I281-M285 WeakPolarHBondContact O-CB 3.46Å; I281-M285 PolarHBondContact O-N 2.87Å; L282-M285 HydrophobicContact CD2-CE 3.57Å; L282-M285 HydrophobicContact CD2-SD 3.75Å; L282-M285 WeakPolarHBondContact O-CB 3.48Å; L282-M285 PolarHBondContact O-N 3.15Å; M285-K287 PolarHBondContact O-N 3.21Å; M285-E288 PolarHBondContact O-N 3.48Å; M285-I289 PolarHBondContact O-N 2.91Å; M285-T309 HydrophobicContact CE-CG2 4.16Å; M285-T309 HydrophobicContact CG-CG2 3.38Å; M285-T309 HydrophobicContact SD-CG2 3.17Å; M285-T309 WeakPolarHBondContact SD-CG2 3.22Å; M285-P311 HydrophobicContact SD-CB 4.44Å; M285-L312 HydrophobicContact CE-CB 4.25Å; M285-L312 HydrophobicContact CE-CD1 4.33Å; M285-L312 HydrophobicContact SD-CB 4.45Å
286	M	76.3	Confident	76.2	Confident	8 Å²	8	71 Å²	71	4%	0.039	35%	0.353	C	S	.	.	H	α-helix	trans	-63.3	-25.6	178.6	-60.6	-43.2	-170.6	0	0	112.9	L257 I260 I261 M264 L282 E284 E288 I289 D290 W302	L257-M286 HydrophobicContact CD2-CB 4.5Å; L257-M286 HydrophobicContact CD2-CG 4.37Å; I260-M286 HydrophobicContact CG2-CE 4.03Å; I261-M286 HydrophobicContact CD1-CB 4.4Å; I261-M286 HydrophobicContact CD1-CG 3.65Å; I261-M286 HydrophobicContact CG1-CE 3.9Å; I261-M286 HydrophobicContact CG1-CG 3.84Å; M264-M286 HydrophobicContact SD-CE 3.97Å; L282-M286 WeakPolarHBondContact O-CG 3.42Å; L282-M286 PolarHBondContact O-N 3.07Å; E284-M286 PolarHBondContact O-N 2.9Å; M286-E288 VanDerWaalsContact C-N 3.33Å; M286-I289 PolarHBondContact O-N 3.11Å; M286-I289 HydrophobicContact SD-CD1 3.87Å; M286-D290 PolarHBondContact O-N 3.14Å; M286-W302 HydrophobicContact CE-CH2 3.71Å; M286-W302 HydrophobicContact CE-CZ3 3.93Å; M286-W302 HydrophobicContact SD-CH2 4.09Å; M286-W302 HydrophobicContact SD-CZ3 3.67Å
287	K	78	Confident	77	Confident	150 Å²	150	65.6 Å²	65.6	65%	0.652	32%	0.32	S	S	*	.	H	α-helix	trans	-81.7	-8	174.1	-61.6	173.7	-178	179.3	0	114.2	K283 E284 M285	K283-K287 WeakPolarHBondContact O-CD 3.3Å; K283-K287 WeakPolarHBondContact O-CG 3.45Å; E284-K287 WeakPolarHBondContact O-CA 3.45Å; E284-K287 WeakPolarHBondContact O-CB 3.49Å; E284-K287 PolarHBondContact O-N 2.86Å; M285-K287 PolarHBondContact O-N 3.21Å
288	E	75.9	Confident	78.2	Confident	145 Å²	145	64 Å²	64	68%	0.678	32%	0.315	S	S	*	.	H	α-helix	trans	-93.9	-17.2	167.3	-63.2	-161.2	134.7	0	0	112.1	E284 M285 M286	E284-E288 PolarHBondContact O-N 2.95Å; M285-E288 PolarHBondContact O-N 3.48Å; M286-E288 VanDerWaalsContact C-N 3.33Å
289	I	80.4	Confident	78.8	Confident	1 Å²	1	66 Å²	66	1%	0.005	33%	0.326	C	S	.	.	H	α-helix	trans	-79.9	-38.8	173.5	-63.2	179.7	0	0	0	110.7	M285 M286 L291 V297 E301 W302 L312	M285-I289 PolarHBondContact O-N 2.91Å; M286-I289 PolarHBondContact O-N 3.11Å; M286-I289 HydrophobicContact SD-CD1 3.87Å; I289-L291 WeakPolarHBondContact O-CG 3.3Å; I289-L291 PolarHBondContact O-N 2.87Å; I289-V297 HydrophobicContact CG2-CG1 3.75Å; I289-V297 HydrophobicContact CG2-CG2 4.42Å; I289-E301 WeakPolarHBondContact CG2-O 3.25Å; I289-W302 HydrophobicContact CD1-CE3 4.39Å; I289-W302 HydrophobicContact CD1-CZ3 4.34Å; I289-W302 HydrophobicContact CG2-CE3 4.16Å; I289-L312 HydrophobicContact CD1-CD2 4.26Å
290	D	83.4	Confident	79	Confident	23 Å²	23	68 Å²	68	12%	0.123	34%	0.34	C	S	.	.			trans	-62.6	100.7	162.4	176	3.5	0	0	0	109.7	M286 N292 R293 G295 V297	M286-D290 PolarHBondContact O-N 3.14Å; D290-N292 PolarHBondContact OD1-OD1 2.86Å; D290-R293 WeakPolarHBondContact OD1-CA 3.22Å; D290-R293 PolarHBondContact OD1-N 2.62Å; D290-R293 WeakPolarHBondContact OD2-CA 3.47Å; D290-G295 PolarHBondContact OD2-N 3.1Å; D290-V297 HydrophobicContact CB-CG2 3.99Å
291	L	76.4	Confident	79.4	Confident	91 Å²	91	65 Å²	65	48%	0.476	32%	0.319	S	S	.	.	S	Bend	trans	-99.7	-16.1	-172.1	-77.1	164.8	0	0	0	113.1	I289 E301 R304	I289-L291 WeakPolarHBondContact O-CG 3.3Å; I289-L291 PolarHBondContact O-N 2.87Å; L291-E301 HydrophobicContact CB-CG 4.36Å; L291-E301 HydrophobicContact CD1-CG 4.47Å; L291-E301 PolarHBondContact N-OE1 2.83Å; L291-R304 VanDerWaalsContact CD1-CZ 3.49Å
292	N	80.1	Confident	80.1	Confident	86 Å²	86	63.2 Å²	63.2	46%	0.46	31%	0.31	S	S	.	.	S	Bend	trans	-96	-22.1	175.2	78.4	17.8	0	0	0	112.5	D290 D294 E301	D290-N292 PolarHBondContact OD1-OD1 2.86Å; N292-D294 PolarHBondContact ND2-OD2 3.16Å; N292-D294 VanDerWaalsContact OD1-CB 3.29Å; N292-D294 WeakPolarHBondContact OD1-CB 3.44Å; N292-D294 PolarHBondContact OD1-N 3.31Å; N292-D294 PolarHBondContact OD1-OD2 2.88Å; N292-E301 PolarHBondContact N-OE1 3.36Å
293	R	81.8	Confident	80.1	Confident	206 Å²	206	64.8 Å²	64.8	78%	0.777	32%	0.318	S	S	*	.			trans	67.6	37.1	-177.2	-60.3	-176.2	172.3	-169.3	-5.5	115.7	D290	D290-R293 WeakPolarHBondContact OD1-CA 3.22Å; D290-R293 PolarHBondContact OD1-N 2.62Å; D290-R293 WeakPolarHBondContact OD2-CA 3.47Å
294	D	83.6	Confident	79.7	Confident	95 Å²	95	67.5 Å²	67.5	51%	0.508	33%	0.327	S	S	.	.	S	Bend	trans	-84.3	-14.7	172.2	74	31.7	0	0	0	113.9	N292 T296	N292-D294 PolarHBondContact ND2-OD2 3.16Å; N292-D294 VanDerWaalsContact OD1-CB 3.29Å; N292-D294 WeakPolarHBondContact OD1-CB 3.44Å; N292-D294 PolarHBondContact OD1-N 3.31Å; N292-D294 PolarHBondContact OD1-OD2 2.88Å; D294-T296 WeakPolarHBondContact OD1-CA 3.38Å; D294-T296 WeakPolarHBondContact OD1-CB 3.34Å; D294-T296 PolarHBondContact OD1-N 2.82Å; D294-T296 PolarHBondContact OD1-OG1 3.44Å
295	G	81.1	Confident	79.5	Confident	41 Å²	41	63.2 Å²	63.2	42%	0.423	31%	0.308	S	S	.	.	S	Bend	trans	95	2.8	178.9	0	0	0	0	0	115.1	D290	D290-G295 PolarHBondContact OD2-N 3.1Å
296	T	86.6	Confident	79.3	Confident	37 Å²	37	62.5 Å²	62.5	23%	0.227	30%	0.304	C	S	.	.	S	Bend	trans	-117.2	170.9	167.6	67.5	0	0	0	0	110.4	L251 L252 D294	L251-T296 HydrophobicContact CD1-CG2 4.49Å; L252-T296 WeakPolarHBondContact O-CA 3.31Å; D294-T296 WeakPolarHBondContact OD1-CA 3.38Å; D294-T296 WeakPolarHBondContact OD1-CB 3.34Å; D294-T296 PolarHBondContact OD1-N 2.82Å; D294-T296 PolarHBondContact OD1-OG1 3.44Å
297	V	88.3	Confident	78.6	Confident	1 Å²	1	64.9 Å²	64.9	1%	0.006	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	119.6	175.7	172	0	0	0	0	110.2	F241 L251 L252 L257 I289 D290 E301 W302	F241-V297 WeakPolarHBondContact CE2-O 3.29Å; L251-V297 WeakPolarHBondContact CA-O 3.31Å; L252-V297 HydrophobicContact CB-CB 4.4Å; L252-V297 PolarHBondContact N-O 3.2Å; L252-V297 PolarHBondContact O-N 2.92Å; L257-V297 HydrophobicContact CD1-CB 4.48Å; L257-V297 HydrophobicContact CD1-CG2 3.88Å; L257-V297 HydrophobicContact CD2-CG2 4.4Å; I289-V297 HydrophobicContact CG2-CG1 3.75Å; I289-V297 HydrophobicContact CG2-CG2 4.42Å; D290-V297 HydrophobicContact CB-CG2 3.99Å; V297-E301 HydrophobicContact CG1-CB 4.05Å; V297-W302 HydrophobicContact CG1-CB 3.95Å; V297-W302 HydrophobicContact CG1-CE3 4.12Å
298	T	88.4	Confident	77.7	Confident	42 Å²	42	62 Å²	62	26%	0.258	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	158.8	173.3	62.9	0	0	0	0	112.1	L251 E300 E301 W302	L251-T298 HydrophobicContact CD2-CG2 3.68Å; T298-E300 PolarHBondContact O-N 3.25Å; T298-E301 WeakPolarHBondContact CB-OE2 3.41Å; T298-E301 WeakPolarHBondContact CG2-OE2 3.42Å; T298-E301 PolarHBondContact N-OE2 3.24Å; T298-E301 PolarHBondContact O-N 2.86Å; T298-E301 WeakPolarHBondContact OG1-CB 3.32Å; T298-E301 WeakPolarHBondContact OG1-CG 3.41Å; T298-E301 PolarHBondContact OG1-N 2.89Å; T298-E301 PolarHBondContact OG1-OE2 3.31Å; T298-W302 WeakPolarHBondContact O-CB 3.32Å; T298-W302 PolarHBondContact O-N 3.31Å
299	L	80.3	Confident	77.1	Confident	48 Å²	48	56.1 Å²	56.1	25%	0.251	29%	0.286	S	S	.	.	H	α-helix	trans	-55.4	-38.4	173.3	177.7	62.6	0	0	0	112.9	E238 F241 W302 I303	E238-L299 HydrophobicContact CB-CD1 4.45Å; E238-L299 HydrophobicContact CG-CD1 4.23Å; E238-L299 HydrophobicContact CG-CD2 4.49Å; F241-L299 HydrophobicContact CB-CD1 3.65Å; F241-L299 HydrophobicContact CD1-CB 4.21Å; F241-L299 HydrophobicContact CD1-CD1 3.84Å; F241-L299 HydrophobicContact CD2-CB 4.31Å; F241-L299 HydrophobicContact CD2-CD1 3.95Å; F241-L299 HydrophobicContact CE1-CB 4.01Å; F241-L299 HydrophobicContact CE1-CD1 4.49Å; F241-L299 VanDerWaalsContact CE2-CA 3.47Å; F241-L299 HydrophobicContact CE2-CB 4.09Å; F241-L299 VanDerWaalsContact CE2-N 3.34Å; F241-L299 HydrophobicContact CG-CB 4.35Å; F241-L299 HydrophobicContact CG-CD1 3.53Å; F241-L299 HydrophobicContact CZ-CB 3.93Å; L299-W302 PolarHBondContact O-N 3.23Å; L299-I303 HydrophobicContact CD1-CD1 3.78Å; L299-I303 HydrophobicContact CD1-CG1 4.14Å; L299-I303 HydrophobicContact CG-CD1 4.05Å; L299-I303 WeakPolarHBondContact O-CG1 3.49Å; L299-I303 PolarHBondContact O-N 3.31Å
300	E	78.6	Confident	75.7	Confident	155 Å²	155	62.1 Å²	62.1	72%	0.724	32%	0.317	S	S	*	.	H	α-helix	trans	-67.6	-35.6	176.8	-67.8	-165.9	176.5	0	0	112.5	T298 R304	T298-E300 PolarHBondContact O-N 3.25Å; E300-R304 WeakPolarHBondContact O-CB 3.46Å; E300-R304 PolarHBondContact O-N 3.32Å; E300-R304 VanDerWaalsContact O-N 3.09Å
301	E	83.1	Confident	74.5	Confident	11 Å²	11	62.7 Å²	62.7	5%	0.051	32%	0.322	C	S	.	.	H	α-helix	trans	-71.1	-44.6	173.8	-80.2	163.3	141.2	0	0	111.8	I289 L291 N292 V297 T298 I303 R304 G305	I289-E301 WeakPolarHBondContact CG2-O 3.25Å; L291-E301 HydrophobicContact CB-CG 4.36Å; L291-E301 HydrophobicContact CD1-CG 4.47Å; L291-E301 PolarHBondContact N-OE1 2.83Å; N292-E301 PolarHBondContact N-OE1 3.36Å; V297-E301 HydrophobicContact CG1-CB 4.05Å; T298-E301 WeakPolarHBondContact CB-OE2 3.41Å; T298-E301 WeakPolarHBondContact CG2-OE2 3.42Å; T298-E301 PolarHBondContact N-OE2 3.24Å; T298-E301 PolarHBondContact O-N 2.86Å; T298-E301 WeakPolarHBondContact OG1-CB 3.32Å; T298-E301 WeakPolarHBondContact OG1-CG 3.41Å; T298-E301 PolarHBondContact OG1-N 2.89Å; T298-E301 PolarHBondContact OG1-OE2 3.31Å; E301-I303 PolarHBondContact O-N 2.93Å; E301-R304 PolarHBondContact O-N 2.67Å; E301-R304 IonicContact OE1-NH2 2.69Å; E301-G305 PolarHBondContact O-N 3.31Å
302	W	83.7	Confident	73.9	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-55.1	-52.4	176.5	-174.8	-115.3	0	0	0	112.8	L237 M240 F241 L252 L257 I260 M286 I289 V297 T298 L299 G306	L237-W302 PolarHBondContact O-NE1 2.76Å; M240-W302 HydrophobicContact CE-CH2 4.47Å; M240-W302 HydrophobicContact CE-CZ2 3.6Å; M240-W302 HydrophobicContact CG-CZ2 4.19Å; M240-W302 HydrophobicContact SD-CZ2 4.41Å; F241-W302 HydrophobicContact CB-CG 4.47Å; F241-W302 HydrophobicContact CD2-CB 3.62Å; F241-W302 AromaticContact CD2-CD1 3.66Å; F241-W302 HydrophobicContact CD2-CD2 4.33Å; F241-W302 AromaticContact CD2-CG 3.61Å; F241-W302 HydrophobicContact CD2-CG 3.61Å; F241-W302 HydrophobicContact CE2-CB 4.01Å; F241-W302 HydrophobicContact CE2-CG 4.4Å; L252-W302 HydrophobicContact CD1-CD2 3.88Å; L252-W302 HydrophobicContact CD1-CE3 3.92Å; L252-W302 HydrophobicContact CD1-CG 4.37Å; L252-W302 HydrophobicContact CD1-CH2 4.26Å; L252-W302 HydrophobicContact CD1-CZ2 4.18Å; L252-W302 HydrophobicContact CD1-CZ3 4.14Å; L257-W302 HydrophobicContact CD2-CE3 4.37Å; L257-W302 HydrophobicContact CD2-CH2 4.34Å; L257-W302 HydrophobicContact CD2-CZ3 3.7Å; I260-W302 HydrophobicContact CD1-CH2 3.75Å; I260-W302 HydrophobicContact CD1-CZ2 3.94Å; I260-W302 HydrophobicContact CG2-CH2 3.84Å; I260-W302 HydrophobicContact CG2-CZ2 4.17Å; M286-W302 HydrophobicContact CE-CH2 3.71Å; M286-W302 HydrophobicContact CE-CZ3 3.93Å; M286-W302 HydrophobicContact SD-CH2 4.09Å; M286-W302 HydrophobicContact SD-CZ3 3.67Å; I289-W302 HydrophobicContact CD1-CE3 4.39Å; I289-W302 HydrophobicContact CD1-CZ3 4.34Å; I289-W302 HydrophobicContact CG2-CE3 4.16Å; V297-W302 HydrophobicContact CG1-CB 3.95Å; V297-W302 HydrophobicContact CG1-CE3 4.12Å; T298-W302 WeakPolarHBondContact O-CB 3.32Å; T298-W302 PolarHBondContact O-N 3.31Å; L299-W302 PolarHBondContact O-N 3.23Å; W302-G306 WeakPolarHBondContact O-CA 3.42Å; W302-G306 PolarHBondContact O-N 2.79Å
303	I	70.9	Confident	73	Confident	33 Å²	33	55.9 Å²	55.9	17%	0.169	29%	0.286	C	S	.	.	H	α-helix	trans	-65	-52.5	177.5	-65.2	169.8	0	0	0	109.6	E234 L237 E238 L299 E301 G305 G306 L307	E234-I303 HydrophobicContact CG-CG2 4.47Å; L237-I303 HydrophobicContact CB-CG1 4.01Å; E238-I303 HydrophobicContact CB-CD1 4.16Å; L299-I303 HydrophobicContact CD1-CD1 3.78Å; L299-I303 HydrophobicContact CD1-CG1 4.14Å; L299-I303 HydrophobicContact CG-CD1 4.05Å; L299-I303 WeakPolarHBondContact O-CG1 3.49Å; L299-I303 PolarHBondContact O-N 3.31Å; E301-I303 PolarHBondContact O-N 2.93Å; I303-G305 PolarHBondContact O-N 3.25Å; I303-G306 PolarHBondContact O-N 3.33Å; I303-L307 HydrophobicContact CG2-CD1 3.68Å; I303-L307 HydrophobicContact CG2-CG 4.11Å; I303-L307 WeakPolarHBondContact O-CB 3.49Å; I303-L307 WeakPolarHBondContact O-CG 3.09Å; I303-L307 PolarHBondContact O-N 3.18Å
304	R	68.9	Low	71.8	Confident	133 Å²	133	49 Å²	49	50%	0.502	27%	0.266	S	S	.	.	H	α-helix	trans	-59.5	-44.5	-175.9	174.6	169.9	50.6	140.2	-1.9	113.4	L291 E300 E301	L291-R304 VanDerWaalsContact CD1-CZ 3.49Å; E300-R304 WeakPolarHBondContact O-CB 3.46Å; E300-R304 PolarHBondContact O-N 3.32Å; E300-R304 VanDerWaalsContact O-N 3.09Å; E301-R304 PolarHBondContact O-N 2.67Å; E301-R304 IonicContact OE1-NH2 2.69Å
305	G	70.6	Confident	70.7	Confident	6 Å²	6	44.7 Å²	44.7	6%	0.062	24%	0.244	C	C	.	.	H	α-helix	trans	-70.2	-47.8	175.3	0	0	0	0	0	110.7	E301 I303 L307 T308 T309	E301-G305 PolarHBondContact O-N 3.31Å; I303-G305 PolarHBondContact O-N 3.25Å; G305-L307 PolarHBondContact O-N 3.08Å; G305-T308 PolarHBondContact O-N 3.44Å; G305-T308 PolarHBondContact O-OG1 3.13Å; G305-T309 PolarHBondContact O-N 3.3Å; G305-T309 PolarHBondContact O-OG1 3.06Å
306	G	68.8	Low	69.8	Low	0 Å²	0	43 Å²	43	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-62.4	-38.8	-175.5	0	0	0	0	0	114.8	W302 I303 T308 T309	W302-G306 WeakPolarHBondContact O-CA 3.42Å; W302-G306 PolarHBondContact O-N 2.79Å; I303-G306 PolarHBondContact O-N 3.33Å; G306-T308 PolarHBondContact O-N 3.2Å; G306-T309 WeakPolarHBondContact O-CB 3.28Å; G306-T309 PolarHBondContact O-N 2.86Å
307	L	61.2	Low	68.1	Low	58 Å²	58	42.9 Å²	42.9	30%	0.304	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-23.8	172.8	-69.3	172.8	0	0	0	113.6	P233 E234 L237 I303 G305	P233-L307 HydrophobicContact CB-CD2 3.44Å; P233-L307 VanDerWaalsContact CB-CD2 3.44Å; E234-L307 HydrophobicContact CG-CD1 4.05Å; E234-L307 HydrophobicContact CG-CD2 4.09Å; E234-L307 WeakPolarHBondContact OE1-CD1 3.48Å; E234-L307 WeakPolarHBondContact OE1-CD2 3.28Å; L237-L307 HydrophobicContact CD1-CD2 3.82Å; L237-L307 HydrophobicContact CD1-CG 3.85Å; I303-L307 HydrophobicContact CG2-CD1 3.68Å; I303-L307 HydrophobicContact CG2-CG 4.11Å; I303-L307 WeakPolarHBondContact O-CB 3.49Å; I303-L307 WeakPolarHBondContact O-CG 3.09Å; I303-L307 PolarHBondContact O-N 3.18Å; G305-L307 PolarHBondContact O-N 3.08Å
308	T	59.3	Low	66.6	Low	91 Å²	91	44.2 Å²	44.2	56%	0.558	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-9.4	174.7	65.8	0	0	0	0	113.5	G305 G306 I310	G305-T308 PolarHBondContact O-N 3.44Å; G305-T308 PolarHBondContact O-OG1 3.13Å; G306-T308 PolarHBondContact O-N 3.2Å; T308-I310 PolarHBondContact O-N 3.3Å
309	T	62.8	Low	64.5	Low	20 Å²	20	45.7 Å²	45.7	12%	0.123	24%	0.244	C	C	.	.			trans	-100.7	90.3	-168.8	-66	0	0	0	0	110.8	M285 G305 G306 P311 L312 L313	M285-T309 HydrophobicContact CE-CG2 4.16Å; M285-T309 HydrophobicContact CG-CG2 3.38Å; M285-T309 HydrophobicContact SD-CG2 3.17Å; M285-T309 WeakPolarHBondContact SD-CG2 3.22Å; G305-T309 PolarHBondContact O-N 3.3Å; G305-T309 PolarHBondContact O-OG1 3.06Å; G306-T309 WeakPolarHBondContact O-CB 3.28Å; G306-T309 PolarHBondContact O-N 2.86Å; T309-P311 VanDerWaalsContact C-CD 3.48Å; T309-L312 HydrophobicContact CG2-CB 3.52Å; T309-L312 HydrophobicContact CG2-CD2 4.48Å; T309-L312 WeakPolarHBondContact O-CB 3.45Å; T309-L312 PolarHBondContact O-N 3.47Å; T309-L312 VanDerWaalsContact O-N 3.08Å; T309-L313 PolarHBondContact O-N 2.89Å; T309-L313 VanDerWaalsContact O-N 3.17Å
310	I	52.8	Low	62.4	Low	128 Å²	128	47.5 Å²	47.5	66%	0.656	27%	0.266	S	S	*	.	H	α-helix	trans	-54.1	-41.9	-175.6	-59.5	174.7	0	0	0	113.7	T308 L312 L313 V314	T308-I310 PolarHBondContact O-N 3.3Å; I310-L312 VanDerWaalsContact C-N 3.34Å; I310-L312 PolarHBondContact O-N 3.36Å; I310-L313 PolarHBondContact O-N 3.49Å; I310-V314 HydrophobicContact CG2-CG2 4.43Å; I310-V314 WeakPolarHBondContact O-CG2 3.16Å; I310-V314 PolarHBondContact O-N 3.44Å; I310-V314 VanDerWaalsContact O-N 3.16Å
311	P	57.2	Low	60.4	Low	35 Å²	35	43.6 Å²	43.6	23%	0.227	25%	0.25	C	S	.	.	H	α-helix	trans	-59.8	-42.8	176.5	-24	35	0	0	0	112.7	M285 T309 V314 L315	M285-P311 HydrophobicContact SD-CB 4.44Å; T309-P311 VanDerWaalsContact C-CD 3.48Å; P311-V314 PolarHBondContact O-N 2.95Å; P311-L315 WeakPolarHBondContact O-CB 3.29Å; P311-L315 VanDerWaalsContact O-CG 3.27Å; P311-L315 WeakPolarHBondContact O-CG 3.25Å; P311-L315 PolarHBondContact O-N 2.88Å
312	L	64.3	Low	58.3	Low	0 Å²	0	47.5 Å²	47.5	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-63.3	-45.6	-179.1	-176.8	60.4	0	0	0	111.7	L237 M240 M264 M285 I289 T309 I310 V314 L315 L316	L237-L312 HydrophobicContact CD2-CD2 3.73Å; L237-L312 HydrophobicContact CD2-CG 4.21Å; M240-L312 HydrophobicContact CE-CD1 3.61Å; M240-L312 HydrophobicContact CE-CG 4.31Å; M264-L312 HydrophobicContact CE-CD1 3.08Å; M264-L312 HydrophobicContact SD-CD1 3.42Å; M264-L312 WeakPolarHBondContact SD-CD1 3.37Å; M285-L312 HydrophobicContact CE-CB 4.25Å; M285-L312 HydrophobicContact CE-CD1 4.33Å; M285-L312 HydrophobicContact SD-CB 4.45Å; I289-L312 HydrophobicContact CD1-CD2 4.26Å; T309-L312 HydrophobicContact CG2-CB 3.52Å; T309-L312 HydrophobicContact CG2-CD2 4.48Å; T309-L312 WeakPolarHBondContact O-CB 3.45Å; T309-L312 PolarHBondContact O-N 3.47Å; T309-L312 VanDerWaalsContact O-N 3.08Å; I310-L312 VanDerWaalsContact C-N 3.34Å; I310-L312 PolarHBondContact O-N 3.36Å; L312-V314 PolarHBondContact O-N 3.39Å; L312-L315 PolarHBondContact O-N 3.48Å; L312-L316 HydrophobicContact CG-CD1 4.46Å; L312-L316 WeakPolarHBondContact O-CB 3.49Å; L312-L316 WeakPolarHBondContact O-CG 3.47Å; L312-L316 PolarHBondContact O-N 3.15Å
313	L	60.2	Low	56.7	Low	33 Å²	33	49.8 Å²	49.8	17%	0.173	29%	0.285	C	S	.	.	H	α-helix	trans	-61.9	-44.4	177.3	-63.7	-179.2	0	0	0	112	P233 L237 T309 I310 L315 L316 M318	P233-L313 HydrophobicContact CB-CD2 4.01Å; L237-L313 HydrophobicContact CD1-CD2 4.2Å; T309-L313 PolarHBondContact O-N 2.89Å; T309-L313 VanDerWaalsContact O-N 3.17Å; I310-L313 PolarHBondContact O-N 3.49Å; L313-L315 VanDerWaalsContact C-N 3.33Å; L313-L315 PolarHBondContact O-N 3.36Å; L313-L316 WeakPolarHBondContact O-CB 3.13Å; L313-L316 PolarHBondContact O-N 3.16Å; L313-M318 HydrophobicContact CB-CB 4.28Å; L313-M318 HydrophobicContact CB-CG 4.46Å; L313-M318 HydrophobicContact CD2-CG 4.42Å; L313-M318 WeakPolarHBondContact O-CB 3.34Å; L313-M318 WeakPolarHBondContact O-CG 3.49Å; L313-M318 PolarHBondContact O-N 3.45Å
314	V	57.2	Low	56.1	Low	61 Å²	61	53.6 Å²	53.6	37%	0.37	30%	0.302	S	S	.	.	H	α-helix	trans	-65.2	-38.3	178.8	177.5	0	0	0	0	111.3	W273 I310 P311 L312 L316 G317	W273-V314 HydrophobicContact CH2-CB 4.31Å; W273-V314 HydrophobicContact CH2-CG1 3.65Å; W273-V314 HydrophobicContact CZ2-CG1 3.86Å; I310-V314 HydrophobicContact CG2-CG2 4.43Å; I310-V314 WeakPolarHBondContact O-CG2 3.16Å; I310-V314 PolarHBondContact O-N 3.44Å; I310-V314 VanDerWaalsContact O-N 3.16Å; P311-V314 PolarHBondContact O-N 2.95Å; L312-V314 PolarHBondContact O-N 3.39Å; V314-L316 VanDerWaalsContact C-N 3.33Å; V314-G317 PolarHBondContact O-N 2.96Å
315	L	61.3	Low	56.1	Low	6 Å²	6	48.3 Å²	48.3	3%	0.031	28%	0.284	C	S	.	.	H	α-helix	trans	-73.4	-22	177.7	-66.5	168.3	0	0	0	113.3	L227 M264 V267 A268 W273 L282 P311 L312 L313 G317	L227-L315 WeakPolarHBondContact CD2-O 3.41Å; M264-L315 HydrophobicContact CB-CD1 3.98Å; M264-L315 HydrophobicContact CG-CB 4.33Å; M264-L315 HydrophobicContact CG-CD1 4.2Å; V267-L315 HydrophobicContact CB-CD2 4.36Å; V267-L315 HydrophobicContact CG1-CD2 3.97Å; A268-L315 HydrophobicContact CB-CD2 3.9Å; W273-L315 HydrophobicContact CE3-CD2 4.39Å; W273-L315 HydrophobicContact CH2-CD2 4.18Å; W273-L315 HydrophobicContact CH2-CG 4.47Å; W273-L315 HydrophobicContact CZ3-CD2 3.91Å; W273-L315 HydrophobicContact CZ3-CG 4.23Å; L282-L315 HydrophobicContact CD2-CD1 4.36Å; P311-L315 WeakPolarHBondContact O-CB 3.29Å; P311-L315 VanDerWaalsContact O-CG 3.27Å; P311-L315 WeakPolarHBondContact O-CG 3.25Å; P311-L315 PolarHBondContact O-N 2.88Å; L312-L315 PolarHBondContact O-N 3.48Å; L313-L315 VanDerWaalsContact C-N 3.33Å; L313-L315 PolarHBondContact O-N 3.36Å; L315-G317 PolarHBondContact O-N 3.14Å
316	L	60.9	Low	56.5	Low	4 Å²	4	48.9 Å²	48.9	2%	0.021	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	4.4	168.5	-85.7	173.3	0	0	0	114.4	K236 L237 M240 L312 L313 V314 M318	K236-L316 HydrophobicContact CB-CD1 4.31Å; K236-L316 HydrophobicContact CB-CD2 4.28Å; K236-L316 VanDerWaalsContact CD-O 3.28Å; K236-L316 WeakPolarHBondContact CD-O 3.12Å; K236-L316 PolarHBondContact NZ-O 3.49Å; L237-L316 HydrophobicContact CD2-CD1 3.71Å; L237-L316 HydrophobicContact CG-CD1 3.88Å; M240-L316 HydrophobicContact CB-CD2 4.24Å; M240-L316 HydrophobicContact CE-CD1 3.69Å; M240-L316 HydrophobicContact CE-CD2 3.47Å; M240-L316 VanDerWaalsContact CE-CD2 3.47Å; M240-L316 HydrophobicContact CE-CG 3.66Å; M240-L316 HydrophobicContact SD-CD2 3.63Å; M240-L316 HydrophobicContact SD-CG 4.35Å; L312-L316 HydrophobicContact CG-CD1 4.46Å; L312-L316 WeakPolarHBondContact O-CB 3.49Å; L312-L316 WeakPolarHBondContact O-CG 3.47Å; L312-L316 PolarHBondContact O-N 3.15Å; L313-L316 WeakPolarHBondContact O-CB 3.13Å; L313-L316 PolarHBondContact O-N 3.16Å; V314-L316 VanDerWaalsContact C-N 3.33Å; L316-M318 HydrophobicContact CB-CG 4.11Å; L316-M318 PolarHBondContact O-N 2.88Å
317	G	51.9	Low	57.1	Low	36 Å²	36	53.6 Å²	53.6	37%	0.371	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.9	24.6	-171.9	0	0	0	0	0	112.9	V314 L315 D319	V314-G317 PolarHBondContact O-N 2.96Å; L315-G317 PolarHBondContact O-N 3.14Å; G317-D319 PolarHBondContact O-N 3.38Å
318	M	57	Low	58.1	Low	29 Å²	29	52 Å²	52	14%	0.143	30%	0.302	C	S	.	.			trans	-73.4	94.9	173.5	-63.6	-80.6	78.2	0	0	110.1	G231 P233 K236 L313 L316 A320	G231-M318 WeakPolarHBondContact O-CE 3.45Å; P233-M318 WeakPolarHBondContact CA-SD 3.38Å; P233-M318 HydrophobicContact CB-SD 4.02Å; P233-M318 HydrophobicContact CG-SD 3.73Å; P233-M318 VanDerWaalsContact N-SD 3.4Å; K236-M318 HydrophobicContact CD-CE 3.57Å; K236-M318 HydrophobicContact CD-SD 4.38Å; K236-M318 VanDerWaalsContact CE-CE 3.46Å; K236-M318 HydrophobicContact CG-CE 3.96Å; K236-M318 HydrophobicContact CG-SD 4.43Å; L313-M318 HydrophobicContact CB-CB 4.28Å; L313-M318 HydrophobicContact CB-CG 4.46Å; L313-M318 HydrophobicContact CD2-CG 4.42Å; L313-M318 WeakPolarHBondContact O-CB 3.34Å; L313-M318 WeakPolarHBondContact O-CG 3.49Å; L313-M318 PolarHBondContact O-N 3.45Å; L316-M318 HydrophobicContact CB-CG 4.11Å; L316-M318 PolarHBondContact O-N 2.88Å; M318-A320 PolarHBondContact O-N 2.94Å
319	D	43	Very low	59.2	Low	72 Å²	72	49.2 Å²	49.2	39%	0.385	29%	0.285	S	S	.	.			trans	-59.7	96	170.9	-176.3	12.6	0	0	0	110.1	G317 N321 V322	G317-D319 PolarHBondContact O-N 3.38Å; D319-N321 PolarHBondContact O-N 2.77Å; D319-N321 VanDerWaalsContact OD1-CB 3.29Å; D319-N321 WeakPolarHBondContact OD1-CB 3.17Å; D319-N321 PolarHBondContact OD1-N 3.43Å; D319-N321 PolarHBondContact OD1-ND2 3.08Å; D319-V322 HydrophobicContact CB-CG2 4.34Å; D319-V322 PolarHBondContact O-N 3.08Å
320	A	37.2	Very low	60.1	Low	86 Å²	86	51.4 Å²	51.4	71%	0.711	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	6	179.6	0	0	0	0	0	114.3	M318	M318-A320 PolarHBondContact O-N 2.94Å
321	N	36.8	Very low	61.3	Low	74 Å²	74	49.5 Å²	49.5	40%	0.396	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-16.6	170.7	-60.1	-69	0	0	0	113.7	D319 Q323	D319-N321 PolarHBondContact O-N 2.77Å; D319-N321 VanDerWaalsContact OD1-CB 3.29Å; D319-N321 WeakPolarHBondContact OD1-CB 3.17Å; D319-N321 PolarHBondContact OD1-N 3.43Å; D319-N321 PolarHBondContact OD1-ND2 3.08Å; N321-Q323 PolarHBondContact O-N 2.91Å
322	V	37.8	Very low	62.4	Low	92 Å²	92	52.5 Å²	52.5	56%	0.558	29%	0.289	S	S	*	.			trans	-72.1	79.7	172	-174.6	0	0	0	0	109.5	D319 E324	D319-V322 HydrophobicContact CB-CG2 4.34Å; D319-V322 PolarHBondContact O-N 3.08Å; V322-E324 PolarHBondContact O-N 3.02Å
323	Q	51.2	Low	63	Low	49 Å²	49	56.1 Å²	56.1	23%	0.229	31%	0.305	C	S	.	.			trans	-80.7	100.3	179	-74.1	177.5	19.6	0	0	110.7	N321 V329	N321-Q323 PolarHBondContact O-N 2.91Å; Q323-V329 HydrophobicContact CG-CG2 3.94Å
324	E	57.1	Low	64	Low	113 Å²	113	60.1 Å²	60.1	53%	0.528	32%	0.323	S	S	.	.			trans	-60.5	147.2	168.6	-62.8	-150.6	138.3	0	0	112.1	V322 G326 Q327	V322-E324 PolarHBondContact O-N 3.02Å; E324-G326 PolarHBondContact O-N 2.84Å; E324-Q327 HydrophobicContact CB-CB 4.33Å; E324-Q327 WeakPolarHBondContact O-CB 3.42Å; E324-Q327 PolarHBondContact O-N 3.36Å
325	D	70.1	Confident	65	Low	22 Å²	22	58 Å²	58	12%	0.118	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	95.5	-167.9	-168.2	77.8	0	0	0	112.6	S379 T380 Y381 K383	D325-S379 VanDerWaalsContact OD2-CA 3.24Å; D325-S379 WeakPolarHBondContact OD2-CA 3.41Å; D325-S379 VanDerWaalsContact OD2-CB 3.24Å; D325-S379 WeakPolarHBondContact OD2-CB 3.37Å; D325-S379 PolarHBondContact OD2-OG 2.86Å; D325-T380 WeakPolarHBondContact OD1-CA 3.38Å; D325-T380 WeakPolarHBondContact OD1-CB 3.48Å; D325-T380 PolarHBondContact OD1-N 3.12Å; D325-T380 PolarHBondContact OD1-OG1 3.06Å; D325-Y381 HydrophobicContact CB-CD1 4.31Å; D325-Y381 HydrophobicContact CB-CE1 3.54Å; D325-K383 PolarHBondContact O-NZ 3.35Å; D325-K383 WeakPolarHBondContact OD2-CE 3.38Å; D325-K383 IonicContact OD2-NZ 3.88Å; D325-K383 PolarHBondContact OD2-NZ 2.8Å
326	G	78.9	Confident	65.7	Low	17 Å²	17	64.5 Å²	64.5	18%	0.175	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	117.9	1	-172.4	0	0	0	0	0	113.8	E324 C377	E324-G326 PolarHBondContact O-N 2.84Å; G326-C377 VanDerWaalsContact O-CB 3.27Å; G326-C377 WeakPolarHBondContact O-CB 3.49Å; G326-C377 PolarHBondContact O-N 2.95Å
327	Q	82.2	Confident	66.5	Low	100 Å²	100	70 Å²	70	47%	0.467	37%	0.367	S	S	.	.			trans	-78.5	143.8	174.3	-151.8	-171	46.7	0	0	111.6	E324 C377	E324-Q327 HydrophobicContact CB-CB 4.33Å; E324-Q327 WeakPolarHBondContact O-CB 3.42Å; E324-Q327 PolarHBondContact O-N 3.36Å; Q327-C377 WeakPolarHBondContact O-CB 3.5Å
328	H	81.1	Confident	67.8	Low	24 Å²	24	71 Å²	71	11%	0.111	37%	0.368	C	S	.	.			trans	-91.8	122	178.1	-76	-88	0	0	0	112	W330 C358 A375 C377	H328-W330 VanDerWaalsContact C-N 3.35Å; H328-W330 HydrophobicContact CB-CD2 3.97Å; H328-W330 HydrophobicContact CB-CG 4.46Å; H328-W330 HydrophobicContact CB-CH2 4.05Å; H328-W330 HydrophobicContact CB-CZ2 3.38Å; H328-W330 AromaticContact CD2-CZ2 3.82Å; H328-W330 AromaticContact CG-CE2 4Å; H328-W330 AromaticContact CG-CH2 3.88Å; H328-W330 AromaticContact CG-CZ2 3.5Å; H328-W330 VanDerWaalsContact CG-CZ2 3.5Å; H328-W330 AromaticContact ND1-CH2 3.85Å; H328-W330 AromaticContact ND1-CZ2 3.98Å; H328-W330 VanDerWaalsContact O-CD1 3.32Å; H328-W330 PolarHBondContact O-N 3.33Å; H328-C358 HydrophobicContact CB-CB 4.3Å; H328-C358 PolarHBondContact ND1-SG 2.81Å; H328-A375 PolarHBondContact NE2-O 2.67Å; H328-C377 HydrophobicContact CB-CB 4.46Å; H328-C377 PolarHBondContact ND1-SG 3.33Å; H328-C377 PolarHBondContact NE2-N 3.03Å
329	V	81.8	Confident	69.2	Low	33 Å²	33	69.9 Å²	69.9	20%	0.2	36%	0.362	C	S	.	.			trans	-86.1	72.2	-179.1	-171.6	0	0	0	0	110.6	Q323 C358 S359	Q323-V329 HydrophobicContact CG-CG2 3.94Å; V329-C358 PolarHBondContact N-SG 2.87Å; V329-S359 VanDerWaalsContact O-CB 3.3Å; V329-S359 WeakPolarHBondContact O-CB 3.45Å; V329-S359 PolarHBondContact O-N 3.35Å; V329-S359 PolarHBondContact O-OG 2.88Å
330	W	82.6	Confident	71.4	Confident	66 Å²	66	66.9 Å²	66.9	25%	0.25	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	139.4	-175	-58.5	113.7	0	0	0	113.4	H328 L356 C358 Y363 V365 V370 I374	H328-W330 VanDerWaalsContact C-N 3.35Å; H328-W330 HydrophobicContact CB-CD2 3.97Å; H328-W330 HydrophobicContact CB-CG 4.46Å; H328-W330 HydrophobicContact CB-CH2 4.05Å; H328-W330 HydrophobicContact CB-CZ2 3.38Å; H328-W330 AromaticContact CD2-CZ2 3.82Å; H328-W330 AromaticContact CG-CE2 4Å; H328-W330 AromaticContact CG-CH2 3.88Å; H328-W330 AromaticContact CG-CZ2 3.5Å; H328-W330 VanDerWaalsContact CG-CZ2 3.5Å; H328-W330 AromaticContact ND1-CH2 3.85Å; H328-W330 AromaticContact ND1-CZ2 3.98Å; H328-W330 VanDerWaalsContact O-CD1 3.32Å; H328-W330 PolarHBondContact O-N 3.33Å; W330-L356 HydrophobicContact CB-CD1 4.43Å; W330-L356 HydrophobicContact CE3-CB 4.18Å; W330-C358 HydrophobicContact CE3-CB 3.96Å; W330-C358 HydrophobicContact CH2-CB 4.41Å; W330-C358 HydrophobicContact CZ3-CB 3.82Å; W330-Y363 AromaticContact CH2-CD1 3.8Å; W330-Y363 HydrophobicContact CH2-CD1 3.8Å; W330-Y363 HydrophobicContact CH2-CE1 4.43Å; W330-Y363 HydrophobicContact CZ3-CD1 4.25Å; W330-V365 HydrophobicContact CE3-CG2 4.12Å; W330-V365 HydrophobicContact CH2-CG1 4.21Å; W330-V365 HydrophobicContact CH2-CG2 4.06Å; W330-V365 HydrophobicContact CZ3-CG1 4.44Å; W330-V365 HydrophobicContact CZ3-CG2 3.8Å; W330-V370 VanDerWaalsContact CD1-CG2 3.47Å; W330-V370 HydrophobicContact CD2-CG2 3.73Å; W330-V370 VanDerWaalsContact CE2-CG2 3.5Å; W330-V370 HydrophobicContact CG-CG2 3.73Å; W330-V370 HydrophobicContact CZ2-CG2 4.18Å; W330-V370 VanDerWaalsContact NE1-CG2 3.29Å; W330-I374 HydrophobicContact CH2-CD1 4.02Å; W330-I374 HydrophobicContact CZ2-CD1 3.7Å
331	R	76.8	Confident	73.9	Confident	88 Å²	88	62.8 Å²	62.8	33%	0.332	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	145.2	162.9	-79.2	-168.9	-73.1	-129.3	-6.7	112	L356 C357 S359	R331-L356 CarbonylContact O-C 3.59Å; R331-L356 WeakPolarHBondContact O-CA 3.28Å; R331-C357 PolarHBondContact N-O 2.82Å; R331-C357 PolarHBondContact O-N 3.08Å; R331-S359 PolarHBondContact NE-OG 2.96Å; R331-S359 VanDerWaalsContact NE-OG 3.09Å; R331-S359 VanDerWaalsContact NH2-CB 3.26Å; R331-S359 PolarHBondContact NH2-OG 2.95Å
332	L	81.5	Confident	76.5	Confident	97 Å²	97	59.9 Å²	59.9	51%	0.508	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	133.3	170.8	-171.6	68.1	0	0	0	110.6	K353 L356	L332-K353 HydrophobicContact CD1-CB 4.29Å; L332-K353 HydrophobicContact CD1-CD 4.29Å; L332-K353 HydrophobicContact CD1-CG 4.22Å; L332-K353 HydrophobicContact CD2-CD 4.44Å; L332-K353 HydrophobicContact CD2-CG 4.25Å; L332-L356 HydrophobicContact CB-CD2 4.29Å; L332-L356 HydrophobicContact CD1-CD2 4.42Å
333	K	76.9	Confident	79.1	Confident	77 Å²	77	60.1 Å²	60.1	34%	0.335	29%	0.288	S	S	.	.			trans	-136.8	133.2	-175.1	-179.1	174.7	169.7	-167.3	0	111.2	F335 G355 C357	K333-F335 HydrophobicContact CB-CD2 4.31Å; K333-F335 HydrophobicContact CB-CE2 3.76Å; K333-F335 HydrophobicContact CB-CZ 4.21Å; K333-F335 HydrophobicContact CD-CD1 4.35Å; K333-F335 HydrophobicContact CD-CD2 4.45Å; K333-F335 HydrophobicContact CD-CE1 3.78Å; K333-F335 HydrophobicContact CD-CE2 3.88Å; K333-F335 HydrophobicContact CD-CZ 3.53Å; K333-F335 HydrophobicContact CG-CD2 4.04Å; K333-F335 HydrophobicContact CG-CE1 4.39Å; K333-F335 HydrophobicContact CG-CE2 3.77Å; K333-F335 HydrophobicContact CG-CG 4.47Å; K333-F335 HydrophobicContact CG-CZ 3.97Å; K333-F335 WeakPolarHBondContact O-CD2 3.44Å; K333-G355 PolarHBondContact N-O 2.73Å; K333-C357 HydrophobicContact CB-CB 3.93Å; K333-C357 HydrophobicContact CD-CB 3.42Å; K333-C357 VanDerWaalsContact CD-CB 3.42Å; K333-C357 HydrophobicContact CG-CB 4.34Å
334	H	80.9	Confident	80.9	Confident	117 Å²	117	60.2 Å²	60.2	54%	0.542	29%	0.294	S	S	.	.			trans	-87.3	129.5	166.8	-155.5	-91.3	0	0	0	109.2	N336 Q354	H334-N336 PolarHBondContact ND1-OD1 2.91Å; H334-Q354 PolarHBondContact CD2-OE1 3.26Å; H334-Q354 PolarHBondContact CE1-OE1 2.66Å; H334-Q354 VanDerWaalsContact CG-OE1 3.25Å; H334-Q354 PolarHBondContact ND1-OE1 3.24Å; H334-Q354 PolarHBondContact NE2-OE1 3.12Å
335	F	78.3	Confident	82.5	Confident	16 Å²	16	60 Å²	60	7%	0.07	29%	0.293	C	S	.	.			trans	-111.8	98.5	-178.8	-66.9	-99.9	0	0	0	109.1	K333 K337 A339 L348 Q354 C357 T364	K333-F335 HydrophobicContact CB-CD2 4.31Å; K333-F335 HydrophobicContact CB-CE2 3.76Å; K333-F335 HydrophobicContact CB-CZ 4.21Å; K333-F335 HydrophobicContact CD-CD1 4.35Å; K333-F335 HydrophobicContact CD-CD2 4.45Å; K333-F335 HydrophobicContact CD-CE1 3.78Å; K333-F335 HydrophobicContact CD-CE2 3.88Å; K333-F335 HydrophobicContact CD-CZ 3.53Å; K333-F335 HydrophobicContact CG-CD2 4.04Å; K333-F335 HydrophobicContact CG-CE1 4.39Å; K333-F335 HydrophobicContact CG-CE2 3.77Å; K333-F335 HydrophobicContact CG-CG 4.47Å; K333-F335 HydrophobicContact CG-CZ 3.97Å; K333-F335 WeakPolarHBondContact O-CD2 3.44Å; F335-K337 PolarHBondContact O-N 2.78Å; F335-A339 HydrophobicContact CB-CB 3.95Å; F335-A339 HydrophobicContact CD1-CB 3.32Å; F335-A339 HydrophobicContact CE1-CB 3.79Å; F335-A339 HydrophobicContact CG-CB 3.72Å; F335-L348 HydrophobicContact CD2-CD1 4.24Å; F335-L348 HydrophobicContact CE1-CD1 4.29Å; F335-L348 HydrophobicContact CE2-CD1 3.74Å; F335-L348 HydrophobicContact CZ-CD1 3.74Å; F335-Q354 HydrophobicContact CD2-CB 3.92Å; F335-Q354 VanDerWaalsContact CD2-O 3.29Å; F335-Q354 WeakPolarHBondContact CD2-O 3.4Å; F335-Q354 VanDerWaalsContact CE2-O 3.26Å; F335-Q354 WeakPolarHBondContact CE2-O 3.19Å; F335-Q354 PolarHBondContact O-NE2 3Å; F335-Q354 PolarHBondContact O-OE1 3.45Å; F335-C357 HydrophobicContact CZ-CB 4.5Å; F335-T364 HydrophobicContact CE1-CG2 3.96Å; F335-T364 HydrophobicContact CZ-CG2 3.69Å
336	N	75.4	Confident	83.4	Confident	143 Å²	143	61.2 Å²	61.2	77%	0.765	31%	0.305	S	S	*	.	S	Bend	trans	-71.7	17.4	-179.2	-58.3	3.5	0	0	0	113.7	H334	H334-N336 PolarHBondContact ND1-OD1 2.91Å
337	K	77.3	Confident	83.8	Confident	118 Å²	118	63.6 Å²	63.6	51%	0.513	31%	0.313	S	S	.	.	S	Bend	trans	-151.9	156.4	178	-65.5	-174.2	-179.6	-179.9	0	107.5	F335 A339 P401	F335-K337 PolarHBondContact O-N 2.78Å; K337-A339 PolarHBondContact O-N 3.05Å; K337-P401 HydrophobicContact CD-CG 4.16Å
338	P	80.1	Confident	83.9	Confident	59 Å²	59	59.1 Å²	59.1	38%	0.383	29%	0.292	S	S	.	.			trans	-50.3	133.4	170.5	-26.9	35.7	0	0	0	111.4	M347 Y414	P338-M347 HydrophobicContact CB-CE 4.18Å; P338-M347 HydrophobicContact CB-SD 4.45Å; P338-Y414 HydrophobicContact CG-CD1 4.42Å
339	A	85.9	Confident	83.3	Confident	4 Å²	4	64.8 Å²	64.8	3%	0.033	32%	0.322	C	S	.	.			trans	-144.6	160.2	179.4	0	0	0	0	0	109	F335 K337 M347 L348 N399	F335-A339 HydrophobicContact CB-CB 3.95Å; F335-A339 HydrophobicContact CD1-CB 3.32Å; F335-A339 HydrophobicContact CE1-CB 3.79Å; F335-A339 HydrophobicContact CG-CB 3.72Å; K337-A339 PolarHBondContact O-N 3.05Å; A339-M347 WeakPolarHBondContact O-CA 3.3Å; A339-M347 VanDerWaalsContact O-CG 3.31Å; A339-M347 WeakPolarHBondContact O-CG 3.43Å; A339-L348 HydrophobicContact CB-CD1 3.98Å; A339-L348 WeakPolarHBondContact O-CB 3.4Å; A339-L348 PolarHBondContact O-N 3.41Å; A339-N399 VanDerWaalsContact CA-OD1 3.28Å; A339-N399 WeakPolarHBondContact CA-OD1 3.38Å
340	F	89	Confident	82.3	Confident	9 Å²	9	65.1 Å²	65.1	4%	0.039	33%	0.332	C	S	.	.	B	Isolated β-bridge	trans	-137	140.2	-165.4	-63.1	-94.1	0	0	0	110.9	N342 H345 A346 M347 T364 N399 Q415 L417	F340-N342 PolarHBondContact O-N 3.47Å; F340-H345 WeakPolarHBondContact CD1-O 3.44Å; F340-A346 WeakPolarHBondContact CA-O 3.27Å; F340-M347 HydrophobicContact CD1-CB 4.05Å; F340-M347 HydrophobicContact CD1-CG 4.45Å; F340-M347 HydrophobicContact CE1-CB 3.97Å; F340-M347 HydrophobicContact CE1-CE 3.79Å; F340-M347 HydrophobicContact CE1-CG 4.24Å; F340-M347 HydrophobicContact CZ-CE 3.59Å; F340-T364 PolarHBondContact O-OG1 3.22Å; F340-T364 VanDerWaalsContact O-OG1 3.07Å; F340-N399 PolarHBondContact N-OD1 3.21Å; F340-N399 PolarHBondContact O-ND2 3.08Å; F340-Q415 WeakPolarHBondContact CE1-O 3.39Å; F340-Q415 VanDerWaalsContact CZ-O 3.27Å; F340-Q415 WeakPolarHBondContact CZ-O 3.33Å; F340-L417 HydrophobicContact CB-CD1 4.19Å; F340-L417 HydrophobicContact CB-CD2 3.94Å; F340-L417 HydrophobicContact CB-CG 3.67Å; F340-L417 HydrophobicContact CG-CG 4.5Å
341	C	90.3	Very high	80.8	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	36%	0.361	C	S	.	.			trans	-67.2	121.2	177.3	175.7	0	0	0	0	110.3	Y343 C344 H345 A346 L348 V365 H366	C341-Y343 PolarHBondContact O-N 2.94Å; C341-C344 PolarHBondContact SG-SG 2.8Å; C341-H345 WeakPolarHBondContact O-CA 3.32Å; C341-H345 PolarHBondContact O-N 3.1Å; C341-A346 PolarHBondContact N-O 3.01Å; C341-L348 HydrophobicContact CB-CD2 3.89Å; C341-V365 VanDerWaalsContact SG-CA 3.58Å; C341-H366 VanDerWaalsContact CB-CE1 3.44Å; C341-H366 WeakPolarHBondContact CB-CE1 3.49Å; C341-H366 VanDerWaalsContact CB-ND1 3.3Å; C341-H366 WeakPolarHBondContact CB-ND1 3.38Å
342	N	91.6	Very high	79.7	Confident	13 Å²	13	75.4 Å²	75.4	7%	0.07	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-13.5	179.3	-71.7	99.2	0	0	0	114.1	F340 Y363 T364 E397	F340-N342 PolarHBondContact O-N 3.47Å; N342-Y363 VanDerWaalsContact C-OH 3.32Å; N342-Y363 HydrophobicContact CB-CD1 3.76Å; N342-Y363 HydrophobicContact CB-CD2 3.77Å; N342-Y363 HydrophobicContact CB-CE1 3.51Å; N342-Y363 HydrophobicContact CB-CE2 3.5Å; N342-Y363 HydrophobicContact CB-CG 3.9Å; N342-Y363 PolarHBondContact O-OH 3.21Å; N342-Y363 VanDerWaalsContact O-OH 3.1Å; N342-T364 WeakPolarHBondContact CB-O 3.45Å; N342-T364 PolarHBondContact N-O 3.23Å; N342-T364 PolarHBondContact OD1-N 3.19Å; N342-T364 PolarHBondContact OD1-O 3.35Å; N342-T364 PolarHBondContact OD1-OG1 3.47Å; N342-E397 PolarHBondContact ND2-O 3.27Å
343	Y	91.8	Very high	78.6	Confident	97 Å²	97	74.4 Å²	74.4	38%	0.38	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-47.8	177.2	174.8	-92.3	0	0	0	112.9	C341 C369 K372 I374	C341-Y343 PolarHBondContact O-N 2.94Å; Y343-C369 HydrophobicContact CD1-CB 4.19Å; Y343-K372 HydrophobicContact CD2-CB 4.5Å; Y343-K372 HydrophobicContact CE1-CB 3.95Å; Y343-K372 HydrophobicContact CE1-CG 4.07Å; Y343-K372 HydrophobicContact CE2-CB 3.86Å; Y343-I374 HydrophobicContact CD2-CG1 4.03Å
344	C	90.5	Very high	78.3	Confident	52 Å²	52	72.3 Å²	72.3	35%	0.351	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.5	4.9	-176.2	68.1	0	0	0	0	114.4	C341 A346 H366	C341-C344 PolarHBondContact SG-SG 2.8Å; C344-A346 PolarHBondContact O-N 3.13Å; C344-H366 VanDerWaalsContact SG-CE1 3.58Å; C344-H366 PolarHBondContact SG-ND1 3.12Å; C344-H366 VanDerWaalsContact SG-ND1 3.4Å
345	H	90.1	Very high	78.4	Confident	109 Å²	109	67.1 Å²	67.1	51%	0.505	35%	0.348	S	S	.	.			trans	57.1	-5.7	-179.1	-55.6	-96.3	0	0	0	116.7	F340 C341 L417	F340-H345 WeakPolarHBondContact CD1-O 3.44Å; C341-H345 WeakPolarHBondContact O-CA 3.32Å; C341-H345 PolarHBondContact O-N 3.1Å; H345-L417 HydrophobicContact CB-CD1 4.32Å; H345-L417 WeakPolarHBondContact ND1-CD1 3.48Å
346	A	89	Confident	78.8	Confident	46 Å²	46	67.5 Å²	67.5	38%	0.38	35%	0.35	S	S	.	.			trans	-74.6	154.3	177.3	0	0	0	0	0	113	F340 C341 C344	F340-A346 WeakPolarHBondContact CA-O 3.27Å; C341-A346 PolarHBondContact N-O 3.01Å; C344-A346 PolarHBondContact O-N 3.13Å
347	M	87.1	Confident	79.3	Confident	68 Å²	68	61.2 Å²	61.2	34%	0.335	32%	0.317	S	S	.	.	B	Isolated β-bridge	trans	-65.2	141.4	-176.2	-165.5	178.1	-72.3	0	0	112.7	P338 A339 F340 L349 H366	P338-M347 HydrophobicContact CB-CE 4.18Å; P338-M347 HydrophobicContact CB-SD 4.45Å; A339-M347 WeakPolarHBondContact O-CA 3.3Å; A339-M347 VanDerWaalsContact O-CG 3.31Å; A339-M347 WeakPolarHBondContact O-CG 3.43Å; F340-M347 HydrophobicContact CD1-CB 4.05Å; F340-M347 HydrophobicContact CD1-CG 4.45Å; F340-M347 HydrophobicContact CE1-CB 3.97Å; F340-M347 HydrophobicContact CE1-CE 3.79Å; F340-M347 HydrophobicContact CE1-CG 4.24Å; F340-M347 HydrophobicContact CZ-CE 3.59Å; M347-L349 HydrophobicContact CB-CD1 4.35Å; M347-L349 HydrophobicContact CB-CG 4.3Å; M347-L349 HydrophobicContact CG-CG 4.09Å; M347-L349 PolarHBondContact O-N 2.67Å; M347-L349 HydrophobicContact SD-CD1 4.28Å; M347-L349 HydrophobicContact SD-CD2 4.21Å; M347-L349 HydrophobicContact SD-CG 3.95Å; M347-H366 PolarHBondContact O-NE2 2.85Å
348	L	85.1	Confident	79.8	Confident	5 Å²	5	55.6 Å²	55.6	3%	0.026	29%	0.293	C	S	.	.			trans	-78.4	65.8	172.3	-61.5	175.1	0	0	0	110.3	F335 A339 C341	F335-L348 HydrophobicContact CD2-CD1 4.24Å; F335-L348 HydrophobicContact CE1-CD1 4.29Å; F335-L348 HydrophobicContact CE2-CD1 3.74Å; F335-L348 HydrophobicContact CZ-CD1 3.74Å; A339-L348 HydrophobicContact CB-CD1 3.98Å; A339-L348 WeakPolarHBondContact O-CB 3.4Å; A339-L348 PolarHBondContact O-N 3.41Å; C341-L348 HydrophobicContact CB-CD2 3.89Å
349	L	68.3	Low	80	Confident	143 Å²	143	53.6 Å²	53.6	75%	0.749	28%	0.281	S	S	*	.			trans	-80.4	135.8	174.6	-82	161.2	0	0	0	111.1	M347	M347-L349 HydrophobicContact CB-CD1 4.35Å; M347-L349 HydrophobicContact CB-CG 4.3Å; M347-L349 HydrophobicContact CG-CG 4.09Å; M347-L349 PolarHBondContact O-N 2.67Å; M347-L349 HydrophobicContact SD-CD1 4.28Å; M347-L349 HydrophobicContact SD-CD2 4.21Å; M347-L349 HydrophobicContact SD-CG 3.95Å
350	G	59.1	Low	80.1	Confident	40 Å²	40	54 Å²	54	41%	0.412	28%	0.282	S	S	.	.			trans	173.1	144.4	173.3	0	0	0	0	0	111.9	K353	G350-K353 CarbonylContact C-O 3.55Å; G350-K353 WeakPolarHBondContact CA-O 3.45Å
351	V	51.4	Low	80.1	Confident	142 Å²	142	53.6 Å²	53.6	86%	0.861	28%	0.281	S	S	*	.	S	Bend	trans	-88.1	121.5	171.8	179.3	0	0	0	0	107.6	K353	V351-K353 VanDerWaalsContact C-N 3.26Å; V351-K353 PolarHBondContact O-N 2.77Å; V351-K353 VanDerWaalsContact O-N 3.09Å
352	R	54.4	Low	80.1	Confident	228 Å²	228	55.9 Å²	55.9	86%	0.86	29%	0.291	S	S	*	.	S	Bend	trans	67.1	-16.1	180	-64.9	-178.8	174.7	-177.1	-1.1	118.7
353	K	58	Low	80	Confident	77 Å²	77	57.1 Å²	57.1	34%	0.335	30%	0.295	S	S	.	.			trans	-125.8	133.2	160.4	-69.7	-170.7	-178.1	178.6	0	109.5	G117 L332 G350 V351 E367	G117-K353 PolarHBondContact O-NZ 3.12Å; L332-K353 HydrophobicContact CD1-CB 4.29Å; L332-K353 HydrophobicContact CD1-CD 4.29Å; L332-K353 HydrophobicContact CD1-CG 4.22Å; L332-K353 HydrophobicContact CD2-CD 4.44Å; L332-K353 HydrophobicContact CD2-CG 4.25Å; G350-K353 CarbonylContact C-O 3.55Å; G350-K353 WeakPolarHBondContact CA-O 3.45Å; V351-K353 VanDerWaalsContact C-N 3.26Å; V351-K353 PolarHBondContact O-N 2.77Å; V351-K353 VanDerWaalsContact O-N 3.09Å; K353-E367 IonicContact NZ-OE1 3.22Å; K353-E367 PolarHBondContact NZ-OE1 2.86Å
354	Q	70.1	Confident	80	Confident	33 Å²	33	52.6 Å²	52.6	15%	0.154	28%	0.277	C	S	.	.			trans	-128.9	29.8	-177	-65.2	-179.9	-72.7	0	0	112.9	H334 F335	H334-Q354 PolarHBondContact CD2-OE1 3.26Å; H334-Q354 PolarHBondContact CE1-OE1 2.66Å; H334-Q354 VanDerWaalsContact CG-OE1 3.25Å; H334-Q354 PolarHBondContact ND1-OE1 3.24Å; H334-Q354 PolarHBondContact NE2-OE1 3.12Å; F335-Q354 HydrophobicContact CD2-CB 3.92Å; F335-Q354 VanDerWaalsContact CD2-O 3.29Å; F335-Q354 WeakPolarHBondContact CD2-O 3.4Å; F335-Q354 VanDerWaalsContact CE2-O 3.26Å; F335-Q354 WeakPolarHBondContact CE2-O 3.19Å; F335-Q354 PolarHBondContact O-NE2 3Å; F335-Q354 PolarHBondContact O-OE1 3.45Å
355	G	83.6	Confident	80	Confident	8 Å²	8	50.1 Å²	50.1	8%	0.082	26%	0.26	C	S	.	.			trans	89.1	-177.9	174.9	0	0	0	0	0	115.6	K333 V365	K333-G355 PolarHBondContact N-O 2.73Å; G355-V365 CarbonylContact C-O 3.59Å; G355-V365 WeakPolarHBondContact CA-O 3.47Å
356	L	86.3	Confident	79.8	Confident	23 Å²	23	45.9 Å²	45.9	12%	0.12	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	153.1	-173.1	-58.3	173.6	0	0	0	111	W330 R331 L332 T364 V365 V370	W330-L356 HydrophobicContact CB-CD1 4.43Å; W330-L356 HydrophobicContact CE3-CB 4.18Å; R331-L356 CarbonylContact O-C 3.59Å; R331-L356 WeakPolarHBondContact O-CA 3.28Å; L332-L356 HydrophobicContact CB-CD2 4.29Å; L332-L356 HydrophobicContact CD1-CD2 4.42Å; L356-T364 CarbonylContact O-C 3.58Å; L356-T364 VanDerWaalsContact O-CA 3.24Å; L356-T364 WeakPolarHBondContact O-CA 3.23Å; L356-T364 WeakPolarHBondContact O-CB 3.36Å; L356-V365 HydrophobicContact CB-CG2 4.02Å; L356-V365 HydrophobicContact CD1-CG2 4.48Å; L356-V365 PolarHBondContact N-O 2.87Å; L356-V365 PolarHBondContact O-N 3.02Å; L356-V370 HydrophobicContact CD1-CB 3.75Å; L356-V370 HydrophobicContact CD1-CG1 4.12Å; L356-V370 HydrophobicContact CD1-CG2 3.65Å
357	C	86.9	Confident	79.6	Confident	11 Å²	11	48.2 Å²	48.2	7%	0.074	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	125.1	175.6	-178.8	0	0	0	0	108.7	R331 K333 F335 S359 Y363 T364	R331-C357 PolarHBondContact N-O 2.82Å; R331-C357 PolarHBondContact O-N 3.08Å; K333-C357 HydrophobicContact CB-CB 3.93Å; K333-C357 HydrophobicContact CD-CB 3.42Å; K333-C357 VanDerWaalsContact CD-CB 3.42Å; K333-C357 HydrophobicContact CG-CB 4.34Å; F335-C357 HydrophobicContact CZ-CB 4.5Å; C357-S359 PolarHBondContact O-N 2.76Å; C357-Y363 CarbonylContact C-O 3.39Å; C357-Y363 WeakPolarHBondContact CA-O 3.4Å; C357-T364 HydrophobicContact CB-CG2 4.14Å
358	C	87.2	Confident	79.4	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	131.8	171.8	178	0	0	0	0	109.3	H328 V329 W330 T360 K362 Y363	H328-C358 HydrophobicContact CB-CB 4.3Å; H328-C358 PolarHBondContact ND1-SG 2.81Å; V329-C358 PolarHBondContact N-SG 2.87Å; W330-C358 HydrophobicContact CE3-CB 3.96Å; W330-C358 HydrophobicContact CH2-CB 4.41Å; W330-C358 HydrophobicContact CZ3-CB 3.82Å; C358-T360 VanDerWaalsContact C-N 3.28Å; C358-T360 PolarHBondContact O-N 3.38Å; C358-K362 VanDerWaalsContact O-CA 3.28Å; C358-K362 WeakPolarHBondContact O-CA 3.36Å; C358-K362 PolarHBondContact O-N 3.46Å; C358-Y363 PolarHBondContact N-O 3.39Å
359	S	85.2	Confident	79.4	Confident	18 Å²	18	54 Å²	54	13%	0.126	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-26.8	-177	-61.3	0	0	0	0	112.3	V329 R331 C357 K362	V329-S359 VanDerWaalsContact O-CB 3.3Å; V329-S359 WeakPolarHBondContact O-CB 3.45Å; V329-S359 PolarHBondContact O-N 3.35Å; V329-S359 PolarHBondContact O-OG 2.88Å; R331-S359 PolarHBondContact NE-OG 2.96Å; R331-S359 VanDerWaalsContact NE-OG 3.09Å; R331-S359 VanDerWaalsContact NH2-CB 3.26Å; R331-S359 PolarHBondContact NH2-OG 2.95Å; C357-S359 PolarHBondContact O-N 2.76Å; S359-K362 PolarHBondContact O-NZ 3.44Å
360	T	86.4	Confident	80.1	Confident	11 Å²	11	49.5 Å²	49.5	7%	0.067	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-74.8	-178.4	-34.4	0	0	0	0	109.8	C358 K362 I378 Y530 P534	C358-T360 VanDerWaalsContact C-N 3.28Å; C358-T360 PolarHBondContact O-N 3.38Å; T360-K362 PolarHBondContact O-N 3.39Å; T360-I378 HydrophobicContact CG2-CD1 3.53Å; T360-I378 HydrophobicContact CG2-CG1 3.95Å; T360-Y530 VanDerWaalsContact O-CD2 3.26Å; T360-Y530 WeakPolarHBondContact O-CD2 3.28Å; T360-P534 HydrophobicContact CG2-CG 3.56Å
361	C	90	Very high	80.9	Confident	1 Å²	1	51.2 Å²	51.2	1%	0.007	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-8.6	-173.4	69	0	0	0	0	116	Y363 C377 I378 I396 V423	C361-Y363 PolarHBondContact O-N 3.32Å; C361-Y363 WeakPolarHBondContact SG-CB 3.42Å; C361-Y363 PolarHBondContact SG-N 2.99Å; C361-Y363 VanDerWaalsContact SG-N 3.45Å; C361-C377 PolarHBondContact SG-SG 2.94Å; C361-I378 HydrophobicContact CB-CG2 3.97Å; C361-I396 HydrophobicContact CB-CD1 4.08Å; C361-I396 HydrophobicContact CB-CG1 4.32Å; C361-V423 HydrophobicContact CB-CG2 4.22Å
362	K	89.3	Confident	82.5	Confident	48 Å²	48	49.9 Å²	49.9	21%	0.209	23%	0.23	C	C	.	.			trans	63.6	10	-173.9	-47.2	-52.2	-170.5	-133.9	0	116.7	C358 S359 T360 T364 Y530	C358-K362 VanDerWaalsContact O-CA 3.28Å; C358-K362 WeakPolarHBondContact O-CA 3.36Å; C358-K362 PolarHBondContact O-N 3.46Å; S359-K362 PolarHBondContact O-NZ 3.44Å; T360-K362 PolarHBondContact O-N 3.39Å; K362-T364 VanDerWaalsContact O-CG2 3.27Å; K362-T364 WeakPolarHBondContact O-CG2 3.37Å; K362-Y530 HydrophobicContact CD-CD2 4.21Å; K362-Y530 HydrophobicContact CD-CE2 4.24Å; K362-Y530 HydrophobicContact CD-CG 4.4Å; K362-Y530 VanDerWaalsContact CE-CE1 3.5Å; K362-Y530 HydrophobicContact CG-CD2 3.87Å; K362-Y530 HydrophobicContact CG-CE1 4.3Å; K362-Y530 HydrophobicContact CG-CE2 3.46Å; K362-Y530 VanDerWaalsContact CG-CE2 3.46Å; K362-Y530 HydrophobicContact CG-CG 4.47Å
363	Y	90.9	Very high	83.9	Confident	40 Å²	40	46.4 Å²	46.4	16%	0.157	23%	0.228	C	C	.	.			trans	-53.8	141.6	165.5	-164.4	-82.9	0	0	0	109.9	W330 N342 C357 C358 C361 V365 I374 I396	W330-Y363 AromaticContact CH2-CD1 3.8Å; W330-Y363 HydrophobicContact CH2-CD1 3.8Å; W330-Y363 HydrophobicContact CH2-CE1 4.43Å; W330-Y363 HydrophobicContact CZ3-CD1 4.25Å; N342-Y363 VanDerWaalsContact C-OH 3.32Å; N342-Y363 HydrophobicContact CB-CD1 3.76Å; N342-Y363 HydrophobicContact CB-CD2 3.77Å; N342-Y363 HydrophobicContact CB-CE1 3.51Å; N342-Y363 HydrophobicContact CB-CE2 3.5Å; N342-Y363 HydrophobicContact CB-CG 3.9Å; N342-Y363 PolarHBondContact O-OH 3.21Å; N342-Y363 VanDerWaalsContact O-OH 3.1Å; C357-Y363 CarbonylContact C-O 3.39Å; C357-Y363 WeakPolarHBondContact CA-O 3.4Å; C358-Y363 PolarHBondContact N-O 3.39Å; C361-Y363 PolarHBondContact O-N 3.32Å; C361-Y363 WeakPolarHBondContact SG-CB 3.42Å; C361-Y363 PolarHBondContact SG-N 2.99Å; C361-Y363 VanDerWaalsContact SG-N 3.45Å; Y363-V365 HydrophobicContact CD1-CG1 3.96Å; Y363-V365 HydrophobicContact CE1-CG1 3.63Å; Y363-I374 HydrophobicContact CD1-CG2 4.27Å; Y363-I374 HydrophobicContact CE1-CG2 3.6Å; Y363-I396 HydrophobicContact CD2-CD1 4.32Å
364	T	90.7	Very high	85.1	Confident	1 Å²	1	43.8 Å²	43.8	1%	0.006	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	143.9	-172.4	66.3	0	0	0	0	112	F335 F340 N342 L356 C357 K362 N399	F335-T364 HydrophobicContact CE1-CG2 3.96Å; F335-T364 HydrophobicContact CZ-CG2 3.69Å; F340-T364 PolarHBondContact O-OG1 3.22Å; F340-T364 VanDerWaalsContact O-OG1 3.07Å; N342-T364 WeakPolarHBondContact CB-O 3.45Å; N342-T364 PolarHBondContact N-O 3.23Å; N342-T364 PolarHBondContact OD1-N 3.19Å; N342-T364 PolarHBondContact OD1-O 3.35Å; N342-T364 PolarHBondContact OD1-OG1 3.47Å; L356-T364 CarbonylContact O-C 3.58Å; L356-T364 VanDerWaalsContact O-CA 3.24Å; L356-T364 WeakPolarHBondContact O-CA 3.23Å; L356-T364 WeakPolarHBondContact O-CB 3.36Å; C357-T364 HydrophobicContact CB-CG2 4.14Å; K362-T364 VanDerWaalsContact O-CG2 3.27Å; K362-T364 WeakPolarHBondContact O-CG2 3.37Å; T364-N399 PolarHBondContact OG1-ND2 3.22Å
365	V	90.3	Very high	85.8	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	158.7	-178	-66.4	0	0	0	0	112.6	W330 C341 G355 L356 Y363 C369 V370 I374	W330-V365 HydrophobicContact CE3-CG2 4.12Å; W330-V365 HydrophobicContact CH2-CG1 4.21Å; W330-V365 HydrophobicContact CH2-CG2 4.06Å; W330-V365 HydrophobicContact CZ3-CG1 4.44Å; W330-V365 HydrophobicContact CZ3-CG2 3.8Å; C341-V365 VanDerWaalsContact SG-CA 3.58Å; G355-V365 CarbonylContact C-O 3.59Å; G355-V365 WeakPolarHBondContact CA-O 3.47Å; L356-V365 HydrophobicContact CB-CG2 4.02Å; L356-V365 HydrophobicContact CD1-CG2 4.48Å; L356-V365 PolarHBondContact N-O 2.87Å; L356-V365 PolarHBondContact O-N 3.02Å; Y363-V365 HydrophobicContact CD1-CG1 3.96Å; Y363-V365 HydrophobicContact CE1-CG1 3.63Å; V365-C369 HydrophobicContact CB-CB 4.09Å; V365-V370 HydrophobicContact CG2-CB 4.15Å; V365-V370 HydrophobicContact CG2-CG2 4.18Å; V365-I374 HydrophobicContact CG1-CD1 3.85Å
366	H	86.6	Confident	85.9	Confident	21 Å²	21	49.1 Å²	49.1	10%	0.097	27%	0.267	C	S	.	.			trans	-64.1	153.5	159.3	-57.6	100.8	0	0	0	109.8	C341 C344 M347 R368 C369 V370	C341-H366 VanDerWaalsContact CB-CE1 3.44Å; C341-H366 WeakPolarHBondContact CB-CE1 3.49Å; C341-H366 VanDerWaalsContact CB-ND1 3.3Å; C341-H366 WeakPolarHBondContact CB-ND1 3.38Å; C344-H366 VanDerWaalsContact SG-CE1 3.58Å; C344-H366 PolarHBondContact SG-ND1 3.12Å; C344-H366 VanDerWaalsContact SG-ND1 3.4Å; M347-H366 PolarHBondContact O-NE2 2.85Å; H366-R368 HydrophobicContact CB-CG 3.9Å; H366-R368 PolarHBondContact O-N 2.81Å; H366-C369 HydrophobicContact CB-CB 4.18Å; H366-C369 WeakPolarHBondContact O-CA 3.39Å; H366-C369 WeakPolarHBondContact O-CB 3.34Å; H366-C369 PolarHBondContact O-N 2.82Å; H366-V370 PolarHBondContact O-N 3.39Å
367	E	83.8	Confident	86	Confident	95 Å²	95	48.7 Å²	48.7	44%	0.444	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-50.6	-54.6	173.3	-152	157.7	-167.3	0	0	110	K353 C369 V370	K353-E367 IonicContact NZ-OE1 3.22Å; K353-E367 PolarHBondContact NZ-OE1 2.86Å; E367-C369 PolarHBondContact O-N 2.88Å; E367-V370 VanDerWaalsContact O-CG1 3.28Å; E367-V370 WeakPolarHBondContact O-CG1 3.45Å; E367-V370 PolarHBondContact O-N 2.96Å; E367-V370 VanDerWaalsContact O-N 3.11Å
368	R	83.2	Confident	86.1	Confident	184 Å²	184	48.8 Å²	48.8	69%	0.694	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-60.2	-8	172.8	70.2	179.1	179.1	-166.1	-1.6	117.3	H366	H366-R368 HydrophobicContact CB-CG 3.9Å; H366-R368 PolarHBondContact O-N 2.81Å
369	C	86.2	Confident	86.1	Confident	10 Å²	10	50.7 Å²	50.7	7%	0.068	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-102.8	-10.6	179	-70.9	0	0	0	0	112.5	Y343 V365 H366 E367 S371 K372 I374	Y343-C369 HydrophobicContact CD1-CB 4.19Å; V365-C369 HydrophobicContact CB-CB 4.09Å; H366-C369 HydrophobicContact CB-CB 4.18Å; H366-C369 WeakPolarHBondContact O-CA 3.39Å; H366-C369 WeakPolarHBondContact O-CB 3.34Å; H366-C369 PolarHBondContact O-N 2.82Å; E367-C369 PolarHBondContact O-N 2.88Å; C369-S371 PolarHBondContact O-N 3.17Å; C369-K372 PolarHBondContact O-N 3.24Å; C369-I374 WeakPolarHBondContact O-CD1 3.44Å
370	V	82.2	Confident	86.3	Confident	48 Å²	48	50.5 Å²	50.5	29%	0.291	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-34.1	-174.7	82	0	0	0	0	113.2	W330 L356 V365 H366 E367 K372	W330-V370 VanDerWaalsContact CD1-CG2 3.47Å; W330-V370 HydrophobicContact CD2-CG2 3.73Å; W330-V370 VanDerWaalsContact CE2-CG2 3.5Å; W330-V370 HydrophobicContact CG-CG2 3.73Å; W330-V370 HydrophobicContact CZ2-CG2 4.18Å; W330-V370 VanDerWaalsContact NE1-CG2 3.29Å; L356-V370 HydrophobicContact CD1-CB 3.75Å; L356-V370 HydrophobicContact CD1-CG1 4.12Å; L356-V370 HydrophobicContact CD1-CG2 3.65Å; V365-V370 HydrophobicContact CG2-CB 4.15Å; V365-V370 HydrophobicContact CG2-CG2 4.18Å; H366-V370 PolarHBondContact O-N 3.39Å; E367-V370 VanDerWaalsContact O-CG1 3.28Å; E367-V370 WeakPolarHBondContact O-CG1 3.45Å; E367-V370 PolarHBondContact O-N 2.96Å; E367-V370 VanDerWaalsContact O-N 3.11Å; V370-K372 VanDerWaalsContact C-N 3.27Å; V370-K372 PolarHBondContact O-N 3.23Å
371	S	77.3	Confident	86.1	Confident	77 Å²	77	51.7 Å²	51.7	54%	0.538	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	21.8	178.4	54.8	0	0	0	0	113.4	C369	C369-S371 PolarHBondContact O-N 3.17Å
372	K	84.1	Confident	85.3	Confident	113 Å²	113	51.8 Å²	51.8	49%	0.491	28%	0.281	S	S	.	.	S	Bend	trans	-98.9	167.6	169.6	-56.5	-53.5	175	-163.6	0	109.6	Y343 C369 V370 I374	Y343-K372 HydrophobicContact CD2-CB 4.5Å; Y343-K372 HydrophobicContact CE1-CB 3.95Å; Y343-K372 HydrophobicContact CE1-CG 4.07Å; Y343-K372 HydrophobicContact CE2-CB 3.86Å; C369-K372 PolarHBondContact O-N 3.24Å; V370-K372 VanDerWaalsContact C-N 3.27Å; V370-K372 PolarHBondContact O-N 3.23Å; K372-I374 PolarHBondContact O-N 3.2Å
373	N	82.6	Confident	84.2	Confident	155 Å²	155	55 Å²	55	83%	0.829	30%	0.295	S	S	*	.			trans	-69.8	80.3	177.8	-169.8	-8.5	0	0	0	110.3
374	I	83.9	Confident	82.7	Confident	22 Å²	22	54.9 Å²	54.9	11%	0.113	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-85	131.8	173.6	-59.9	168.4	0	0	0	107.4	W330 Y343 Y363 V365 C369 K372	W330-I374 HydrophobicContact CH2-CD1 4.02Å; W330-I374 HydrophobicContact CZ2-CD1 3.7Å; Y343-I374 HydrophobicContact CD2-CG1 4.03Å; Y363-I374 HydrophobicContact CD1-CG2 4.27Å; Y363-I374 HydrophobicContact CE1-CG2 3.6Å; V365-I374 HydrophobicContact CG1-CD1 3.85Å; C369-I374 WeakPolarHBondContact O-CD1 3.44Å; K372-I374 PolarHBondContact O-N 3.2Å
375	A	85.6	Confident	81.2	Confident	73 Å²	73	60.9 Å²	60.9	60%	0.603	32%	0.322	S	S	*	.	P	Polyproline II helix	trans	-53	141.6	173.6	0	0	0	0	0	111.7	H328	H328-A375 PolarHBondContact NE2-O 2.67Å
376	A	84.5	Confident	79.6	Confident	81 Å²	81	69.3 Å²	69.3	67%	0.669	36%	0.359	S	S	*	.	P	Polyproline II helix	trans	-51.1	152.6	-177.4	0	0	0	0	0	113.4
377	C	89.1	Confident	78.5	Confident	14 Å²	14	73.7 Å²	73.7	10%	0.095	38%	0.379	C	S	.	.			trans	-67.5	-176.7	173.1	-149.4	0	0	0	0	111.6	G326 Q327 H328 C361 S379	G326-C377 VanDerWaalsContact O-CB 3.27Å; G326-C377 WeakPolarHBondContact O-CB 3.49Å; G326-C377 PolarHBondContact O-N 2.95Å; Q327-C377 WeakPolarHBondContact O-CB 3.5Å; H328-C377 HydrophobicContact CB-CB 4.46Å; H328-C377 PolarHBondContact ND1-SG 3.33Å; H328-C377 PolarHBondContact NE2-N 3.03Å; C361-C377 PolarHBondContact SG-SG 2.94Å; C377-S379 PolarHBondContact O-N 2.83Å
378	I	89.2	Confident	77.8	Confident	12 Å²	12	71.7 Å²	71.7	6%	0.062	37%	0.374	C	S	.	.			trans	-62	135.7	177.4	71.2	-175.2	0	0	0	110.7	T360 C361 V394 V423 W424	T360-I378 HydrophobicContact CG2-CD1 3.53Å; T360-I378 HydrophobicContact CG2-CG1 3.95Å; C361-I378 HydrophobicContact CB-CG2 3.97Å; I378-V394 HydrophobicContact CG2-CG1 4.04Å; I378-V423 HydrophobicContact CD1-CG1 3.92Å; I378-V423 HydrophobicContact CG2-CB 4.22Å; I378-V423 HydrophobicContact CG2-CG1 4.07Å; I378-V423 HydrophobicContact CG2-CG2 4.08Å; I378-W424 HydrophobicContact CB-CZ2 3.94Å; I378-W424 HydrophobicContact CD1-CH2 3.72Å; I378-W424 HydrophobicContact CD1-CZ2 3.67Å; I378-W424 HydrophobicContact CG1-CH2 4.38Å; I378-W424 HydrophobicContact CG1-CZ2 4.05Å
379	S	87.4	Confident	77.1	Confident	41 Å²	41	67.4 Å²	67.4	29%	0.287	37%	0.372	S	S	.	.			trans	-80.1	136.5	163.7	-176.7	0	0	0	0	109.1	D325 C377 Y381 K383 W424 P453	D325-S379 VanDerWaalsContact OD2-CA 3.24Å; D325-S379 WeakPolarHBondContact OD2-CA 3.41Å; D325-S379 VanDerWaalsContact OD2-CB 3.24Å; D325-S379 WeakPolarHBondContact OD2-CB 3.37Å; D325-S379 PolarHBondContact OD2-OG 2.86Å; C377-S379 PolarHBondContact O-N 2.83Å; S379-Y381 PolarHBondContact OG-O 3.07Å; S379-Y381 VanDerWaalsContact OG-O 3.05Å; S379-K383 WeakPolarHBondContact OG-CE 3.44Å; S379-W424 WeakPolarHBondContact O-CZ2 3.44Å; S379-P453 WeakPolarHBondContact O-CG 3.31Å
380	T	87.9	Confident	76.8	Confident	13 Å²	13	69.6 Å²	69.6	8%	0.08	39%	0.385	C	S	.	.	S	Bend	trans	-99.8	-5.9	-173	63	0	0	0	0	113.7	D325 N533 P534 R535	D325-T380 WeakPolarHBondContact OD1-CA 3.38Å; D325-T380 WeakPolarHBondContact OD1-CB 3.48Å; D325-T380 PolarHBondContact OD1-N 3.12Å; D325-T380 PolarHBondContact OD1-OG1 3.06Å; T380-N533 WeakPolarHBondContact CB-OD1 3.35Å; T380-N533 PolarHBondContact O-ND2 2.98Å; T380-P534 HydrophobicContact CG2-CB 4.37Å; T380-P534 HydrophobicContact CG2-CG 4.08Å; T380-R535 PolarHBondContact OG1-NE 2.89Å
381	Y	82.3	Confident	77.1	Confident	37 Å²	37	68.5 Å²	68.5	15%	0.145	38%	0.377	C	S	.	.	S	Bend	trans	-147.6	163.2	177.5	67.3	-94.4	0	0	0	111	D325 S379 K383 P453 I456 P458 L497	D325-Y381 HydrophobicContact CB-CD1 4.31Å; D325-Y381 HydrophobicContact CB-CE1 3.54Å; S379-Y381 PolarHBondContact OG-O 3.07Å; S379-Y381 VanDerWaalsContact OG-O 3.05Å; Y381-K383 HydrophobicContact CD2-CG 4.35Å; Y381-K383 HydrophobicContact CE2-CB 4.49Å; Y381-K383 HydrophobicContact CE2-CG 3.79Å; Y381-K383 PolarHBondContact O-N 3.02Å; Y381-K383 VanDerWaalsContact O-N 3.17Å; Y381-P453 CarbonylContact C-O 3.58Å; Y381-P453 WeakPolarHBondContact CA-O 3.47Å; Y381-I456 WeakPolarHBondContact CB-O 3.39Å; Y381-P458 HydrophobicContact CD2-CG 4.34Å; Y381-P458 HydrophobicContact CE2-CG 4.15Å; Y381-L497 HydrophobicContact CD1-CD1 3.92Å; Y381-L497 HydrophobicContact CD1-CD2 4.3Å; Y381-L497 HydrophobicContact CD2-CD2 3.86Å; Y381-L497 HydrophobicContact CE1-CD1 4.45Å; Y381-L497 HydrophobicContact CE2-CD2 4.29Å; Y381-L497 HydrophobicContact CG-CD1 4.16Å; Y381-L497 HydrophobicContact CG-CD2 3.88Å
382	A	74.5	Confident	77.7	Confident	3 Å²	3	69.8 Å²	69.8	3%	0.025	37%	0.374	C	S	.	.			trans	-76.2	101.8	178.8	0	0	0	0	0	111.2	S384 H387 T388 P453 I456 C457	A382-S384 PolarHBondContact O-N 2.85Å; A382-H387 HydrophobicContact CB-CB 4.13Å; A382-T388 HydrophobicContact CB-CG2 3.52Å; A382-P453 PolarHBondContact N-O 3.42Å; A382-I456 PolarHBondContact N-O 3.26Å; A382-C457 HydrophobicContact CB-CB 4.44Å
383	K	65.6	Low	78.1	Confident	115 Å²	115	65.4 Å²	65.4	50%	0.5	36%	0.356	S	S	.	.	S	Bend	trans	-64.1	-3.4	175.3	-57.1	-165	-179.4	-169.2	0	115	D325 S379 Y381	D325-K383 PolarHBondContact O-NZ 3.35Å; D325-K383 WeakPolarHBondContact OD2-CE 3.38Å; D325-K383 IonicContact OD2-NZ 3.88Å; D325-K383 PolarHBondContact OD2-NZ 2.8Å; S379-K383 WeakPolarHBondContact OG-CE 3.44Å; Y381-K383 HydrophobicContact CD2-CG 4.35Å; Y381-K383 HydrophobicContact CE2-CB 4.49Å; Y381-K383 HydrophobicContact CE2-CG 3.79Å; Y381-K383 PolarHBondContact O-N 3.02Å; Y381-K383 VanDerWaalsContact O-N 3.17Å
384	S	59.9	Low	78.5	Confident	37 Å²	37	60.6 Å²	60.6	26%	0.259	33%	0.332	S	S	.	.	S	Bend	trans	-158.4	159.4	172.5	81	0	0	0	0	112.6	A382 K386 H387	A382-S384 PolarHBondContact O-N 2.85Å; S384-K386 PolarHBondContact O-N 2.78Å; S384-K386 PolarHBondContact OG-N 3.44Å; S384-H387 PolarHBondContact O-N 3.37Å
385	R	58.5	Low	78.8	Confident	127 Å²	127	63.2 Å²	63.2	48%	0.479	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-11.9	172.4	-71	-174.4	68.5	94.7	-0.3	114.5	T388 L461 D462	R385-T388 PolarHBondContact O-OG1 2.72Å; R385-L461 WeakPolarHBondContact CD-O 3.45Å; R385-L461 HydrophobicContact CG-CB 4.01Å; R385-L461 PolarHBondContact NH1-O 3.3Å; R385-D462 IonicContact NH1-OD1 3.82Å
386	K	58.1	Low	79.1	Confident	178 Å²	178	60.9 Å²	60.9	77%	0.774	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-16.8	172.7	-67.2	-176.8	179	178.3	0	112.7	S384	S384-K386 PolarHBondContact O-N 2.78Å; S384-K386 PolarHBondContact OG-N 3.44Å
387	H	62.3	Low	79.2	Confident	113 Å²	113	60 Å²	60	52%	0.523	30%	0.299	S	S	.	.	S	Bend	trans	-104.3	1	-176.8	-59.2	169	0	0	0	113.4	A382 S384 S454	A382-H387 HydrophobicContact CB-CB 4.13Å; S384-H387 PolarHBondContact O-N 3.37Å; H387-S454 WeakPolarHBondContact O-CA 3.45Å; H387-S454 WeakPolarHBondContact O-CB 3.49Å
388	T	68.7	Low	78.5	Confident	52 Å²	52	59.9 Å²	59.9	32%	0.319	30%	0.301	S	S	.	.	S	Bend	trans	-86.7	-24.5	174.3	52.7	0	0	0	0	113.1	A382 R385 C457	A382-T388 HydrophobicContact CB-CG2 3.52Å; R385-T388 PolarHBondContact O-OG1 2.72Å; T388-C457 HydrophobicContact CG2-CB 4.01Å
389	S	69.1	Low	77.8	Confident	94 Å²	94	60.6 Å²	60.6	66%	0.657	30%	0.304	S	S	*	.	S	Bend	trans	-80.9	-34.9	-173.8	54.2	0	0	0	0	114.7
390	V	79.5	Confident	76.8	Confident	57 Å²	57	61.3 Å²	61.3	35%	0.345	31%	0.309	S	S	.	.			trans	-142	123.8	-177.6	-177.8	0	0	0	0	110.2	E440	V390-E440 HydrophobicContact CG1-CB 4.32Å; V390-E440 HydrophobicContact CG1-CG 3.63Å; V390-E440 WeakPolarHBondContact CG1-OE1 3.36Å
391	M	89.4	Confident	75.8	Confident	24 Å²	24	64 Å²	64	12%	0.118	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-89.7	127.9	174.4	-177	57.7	-174.2	0	0	111.4	V394 W424 E440 C441 L452 P453	M391-V394 HydrophobicContact CE-CG2 4.42Å; M391-W424 HydrophobicContact CE-CD2 4.17Å; M391-W424 HydrophobicContact CE-CG 3.76Å; M391-W424 VanDerWaalsContact CE-NE1 3.31Å; M391-E440 CarbonylContact O-C 3.6Å; M391-E440 WeakPolarHBondContact O-CA 3.43Å; M391-C441 HydrophobicContact CG-CB 4.19Å; M391-C441 PolarHBondContact O-N 3.03Å; M391-L452 HydrophobicContact CB-CD1 4.27Å; M391-L452 HydrophobicContact CG-CB 4.25Å; M391-L452 HydrophobicContact CG-CD1 4.09Å; M391-P453 HydrophobicContact CE-CG 3.97Å; M391-P453 HydrophobicContact SD-CB 4.48Å; M391-P453 HydrophobicContact SD-CG 4.44Å
392	Q	89.8	Confident	75.7	Confident	104 Å²	104	63.8 Å²	63.8	49%	0.486	33%	0.331	S	S	.	.	B	Isolated β-bridge	trans	-97.7	152.7	178.6	-66.5	-65.1	-45.6	0	0	111.8	V394 A439	Q392-V394 PolarHBondContact O-N 2.92Å; Q392-A439 PolarHBondContact OE1-O 3.23Å
393	H	91.4	Very high	76.3	Confident	22 Å²	22	70 Å²	70	10%	0.102	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-68.7	116.5	174.4	-75.6	-76.2	0	0	0	112.1	W395 C422 C425 M437 K438 A439 E440 C441	H393-W395 HydrophobicContact CB-CD2 4.25Å; H393-W395 VanDerWaalsContact CB-CE2 3.48Å; H393-W395 HydrophobicContact CB-CZ2 3.74Å; H393-W395 VanDerWaalsContact CB-NE1 3.29Å; H393-W395 AromaticContact CG-CZ2 3.74Å; H393-W395 PolarHBondContact O-N 3.36Å; H393-C422 PolarHBondContact ND1-SG 2.99Å; H393-C425 VanDerWaalsContact CE1-SG 3.51Å; H393-M437 WeakPolarHBondContact CE1-CE 3.45Å; H393-K438 PolarHBondContact CD2-O 2.91Å; H393-K438 PolarHBondContact NE2-O 2.67Å; H393-A439 PolarHBondContact CD2-O 3.09Å; H393-E440 PolarHBondContact NE2-O 3.44Å; H393-C441 HydrophobicContact CB-CB 4.43Å; H393-C441 WeakPolarHBondContact ND1-CB 3.31Å
394	V	91.5	Very high	77.5	Confident	53 Å²	53	64.6 Å²	64.6	32%	0.321	33%	0.334	S	S	.	.			trans	-85.1	105	169.1	-177.7	0	0	0	0	109.1	I378 M391 Q392 C422 V423	I378-V394 HydrophobicContact CG2-CG1 4.04Å; M391-V394 HydrophobicContact CE-CG2 4.42Å; Q392-V394 PolarHBondContact O-N 2.92Å; V394-C422 WeakPolarHBondContact O-CA 3.22Å; V394-V423 HydrophobicContact CG1-CG2 4.49Å; V394-V423 PolarHBondContact O-N 2.82Å; V394-V423 VanDerWaalsContact O-N 3.08Å
395	W	91.3	Very high	78.9	Confident	77 Å²	77	67 Å²	67	29%	0.292	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	139.2	-175.8	-65.4	110.7	0	0	0	112.9	H393 L420 H421 C422 Y429 M437	H393-W395 HydrophobicContact CB-CD2 4.25Å; H393-W395 VanDerWaalsContact CB-CE2 3.48Å; H393-W395 HydrophobicContact CB-CZ2 3.74Å; H393-W395 VanDerWaalsContact CB-NE1 3.29Å; H393-W395 AromaticContact CG-CZ2 3.74Å; H393-W395 PolarHBondContact O-N 3.36Å; W395-L420 HydrophobicContact CB-CD2 4.11Å; W395-L420 HydrophobicContact CD2-CB 4.04Å; W395-L420 HydrophobicContact CE3-CB 3.54Å; W395-L420 HydrophobicContact CG-CB 4.5Å; W395-L420 HydrophobicContact CZ3-CB 4.03Å; W395-H421 WeakPolarHBondContact CA-O 3.47Å; W395-H421 VanDerWaalsContact CE3-C 3.42Å; W395-C422 HydrophobicContact CD2-CB 4.4Å; W395-C422 HydrophobicContact CE3-CB 3.8Å; W395-C422 HydrophobicContact CH2-CB 4Å; W395-C422 HydrophobicContact CZ3-CB 3.59Å; W395-Y429 AromaticContact CH2-CD2 3.96Å; W395-Y429 HydrophobicContact CH2-CD2 3.96Å; W395-Y429 HydrophobicContact CH2-CE2 4.46Å; W395-Y429 HydrophobicContact CZ3-CD2 4.35Å; W395-M437 HydrophobicContact CH2-SD 3.56Å; W395-M437 VanDerWaalsContact CH2-SD 3.56Å; W395-M437 HydrophobicContact CZ2-SD 3.75Å
396	I	90.8	Very high	80.4	Confident	25 Å²	25	67.6 Å²	67.6	13%	0.128	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	135.8	172.1	-57.8	-68.7	0	0	0	108.3	C361 Y363 H421 V423	C361-I396 HydrophobicContact CB-CD1 4.08Å; C361-I396 HydrophobicContact CB-CG1 4.32Å; Y363-I396 HydrophobicContact CD2-CD1 4.32Å; I396-H421 PolarHBondContact N-O 2.79Å; I396-H421 PolarHBondContact O-N 3.12Å; I396-V423 HydrophobicContact CD1-CG2 4.46Å; I396-V423 HydrophobicContact CG1-CG2 3.56Å
397	E	88	Confident	81.9	Confident	61 Å²	61	61.3 Å²	61.3	29%	0.285	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	137.1	-177	-66.3	-152.5	128.8	0	0	113.9	N342 G419 L420 N431	N342-E397 PolarHBondContact ND2-O 3.27Å; E397-G419 WeakPolarHBondContact CA-O 3.39Å; E397-L420 HydrophobicContact CG-CD2 3.89Å; E397-N431 PolarHBondContact OE1-ND2 3.15Å
398	G	73.9	Confident	83.3	Confident	12 Å²	12	63.1 Å²	63.1	12%	0.124	33%	0.328	C	S	.	.	S	Bend	trans	72.1	-163.8	153.8	0	0	0	0	0	117.7	S400 T418 G419	G398-S400 PolarHBondContact O-N 3.18Å; G398-T418 WeakPolarHBondContact CA-O 3.17Å; G398-G419 PolarHBondContact N-O 3.22Å
399	N	74.1	Confident	84.3	Confident	27 Å²	27	69.8 Å²	69.8	14%	0.144	35%	0.347	C	S	.	.	S	Bend	trans	55.6	-9.9	177.8	-62.1	-38.5	0	0	0	118.6	A339 F340 T364 P401	A339-N399 VanDerWaalsContact CA-OD1 3.28Å; A339-N399 WeakPolarHBondContact CA-OD1 3.38Å; F340-N399 PolarHBondContact N-OD1 3.21Å; F340-N399 PolarHBondContact O-ND2 3.08Å; T364-N399 PolarHBondContact OG1-ND2 3.22Å; N399-P401 VanDerWaalsContact O-CD 3.27Å; N399-P401 WeakPolarHBondContact O-CD 3.32Å
400	S	67.2	Low	85.2	Confident	56 Å²	56	70.7 Å²	70.7	39%	0.392	35%	0.345	S	S	.	.			trans	-109.9	91.7	-179.9	-70.2	0	0	0	0	111	G398 S402	G398-S400 PolarHBondContact O-N 3.18Å; S400-S402 PolarHBondContact O-N 2.96Å; S400-S402 PolarHBondContact O-OG 3.03Å
401	P	65.8	Low	85.5	Confident	71 Å²	71	68.3 Å²	68.3	46%	0.461	33%	0.33	S	S	.	.			trans	-66.9	99.2	179.8	27.5	-34.5	0	0	0	110.8	K337 N399	K337-P401 HydrophobicContact CD-CG 4.16Å; N399-P401 VanDerWaalsContact O-CD 3.27Å; N399-P401 WeakPolarHBondContact O-CD 3.32Å
402	S	80.6	Confident	84.8	Confident	32 Å²	32	74.6 Å²	74.6	22%	0.224	36%	0.357	C	S	.	.			trans	-130.8	171.8	-170	45.4	0	0	0	0	110.6	S400 N410 I411	S400-S402 PolarHBondContact O-N 2.96Å; S400-S402 PolarHBondContact O-OG 3.03Å; S402-N410 CarbonylContact O-C 3.53Å; S402-N410 WeakPolarHBondContact O-CA 3.37Å; S402-I411 PolarHBondContact O-N 3.41Å
403	K	87.8	Confident	83.6	Confident	134 Å²	134	70.1 Å²	70.1	58%	0.583	34%	0.338	S	S	*	.	B	Isolated β-bridge	trans	-94.2	125.5	173.5	-72.7	-176.7	178.2	-175.5	0	109.2	E405 N410 T428	K403-E405 PolarHBondContact O-N 3.2Å; K403-N410 WeakPolarHBondContact CG-OD1 3.38Å; K403-T428 PolarHBondContact O-OG1 3.49Å
404	C	89.9	Confident	82.2	Confident	0 Å²	0	75.5 Å²	75.5	0%	0	36%	0.359	C	S	.	.			trans	-62.7	122.1	174.1	169.7	0	0	0	0	110.2	R406 C407 F408 R409 I411 T428 H430	C404-R406 VanDerWaalsContact C-N 3.29Å; C404-R406 PolarHBondContact O-N 3.38Å; C404-C407 PolarHBondContact O-N 3.01Å; C404-F408 VanDerWaalsContact O-CA 3.29Å; C404-F408 WeakPolarHBondContact O-CA 3.46Å; C404-F408 PolarHBondContact O-N 2.94Å; C404-R409 PolarHBondContact N-O 3.31Å; C404-I411 HydrophobicContact CB-CD1 4.34Å; C404-I411 HydrophobicContact CB-CG1 4.14Å; C404-T428 CarbonylContact C-O 3.56Å; C404-T428 WeakPolarHBondContact CA-O 3.38Å; C404-H430 WeakPolarHBondContact CB-CE1 3.46Å; C404-H430 VanDerWaalsContact CB-ND1 3.28Å; C404-H430 WeakPolarHBondContact CB-ND1 3.4Å; C404-H430 PolarHBondContact SG-N 2.87Å; C404-H430 VanDerWaalsContact SG-N 3.37Å; C404-H430 PolarHBondContact SG-ND1 3.2Å
405	E	89.7	Confident	80.9	Confident	88 Å²	88	80.5 Å²	80.5	41%	0.411	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-33.8	-174	-72.8	174.7	-159	0	0	113.5	K403 C407 F408 A427 T428 Y429	K403-E405 PolarHBondContact O-N 3.2Å; E405-C407 PolarHBondContact O-N 2.9Å; E405-F408 WeakPolarHBondContact O-CE1 3.42Å; E405-F408 VanDerWaalsContact O-CZ 3.27Å; E405-F408 WeakPolarHBondContact O-CZ 3.27Å; E405-A427 WeakPolarHBondContact OE1-CA 3.31Å; E405-A427 WeakPolarHBondContact OE1-CB 3.41Å; E405-A427 WeakPolarHBondContact OE2-CB 3.39Å; E405-T428 PolarHBondContact N-O 3.17Å; E405-T428 PolarHBondContact OE1-N 3.23Å; E405-Y429 HydrophobicContact CB-CE1 4.48Å; E405-Y429 HydrophobicContact CB-CE2 4.19Å
406	R	89.6	Confident	80	Confident	140 Å²	140	80.6 Å²	80.6	53%	0.528	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-34.1	177.6	-177.2	166.1	177.3	72.3	-6.3	115	C404 Y429 C433 S436	C404-R406 VanDerWaalsContact C-N 3.29Å; C404-R406 PolarHBondContact O-N 3.38Å; R406-Y429 HydrophobicContact CB-CD1 4Å; R406-Y429 HydrophobicContact CB-CE1 3.82Å; R406-C433 HydrophobicContact CB-CB 4.14Å; R406-C433 WeakPolarHBondContact CD-O 3.33Å; R406-S436 VanDerWaalsContact CZ-OG 3.26Å; R406-S436 VanDerWaalsContact NE-CB 3.32Å; R406-S436 PolarHBondContact NE-OG 2.92Å; R406-S436 PolarHBondContact NH2-OG 3.3Å
407	C	90.6	Very high	79.4	Confident	45 Å²	45	80 Å²	80	30%	0.304	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.8	-1.3	-168	75.4	0	0	0	0	114.3	C404 E405 R409 H430	C404-C407 PolarHBondContact O-N 3.01Å; E405-C407 PolarHBondContact O-N 2.9Å; C407-R409 PolarHBondContact O-N 3.25Å; C407-H430 VanDerWaalsContact SG-CE1 3.54Å
408	F	90.8	Very high	79.1	Confident	152 Å²	152	79.1 Å²	79.1	67%	0.667	38%	0.384	S	S	*	.			trans	57.4	4	179.5	-50.7	-75.4	0	0	0	116.2	C404 E405	C404-F408 VanDerWaalsContact O-CA 3.29Å; C404-F408 WeakPolarHBondContact O-CA 3.46Å; C404-F408 PolarHBondContact O-N 2.94Å; E405-F408 WeakPolarHBondContact O-CE1 3.42Å; E405-F408 VanDerWaalsContact O-CZ 3.27Å; E405-F408 WeakPolarHBondContact O-CZ 3.27Å
409	R	89.9	Confident	79.7	Confident	192 Å²	192	78.8 Å²	78.8	73%	0.725	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-82.3	148.4	174.6	-59.8	179.1	-170.8	-165.2	1.9	110.7	C404 C407 H430	C404-R409 PolarHBondContact N-O 3.31Å; C407-R409 PolarHBondContact O-N 3.25Å; R409-H430 PolarHBondContact O-CE1 3.35Å
410	N	87.8	Confident	80.5	Confident	112 Å²	112	78.9 Å²	78.9	60%	0.599	38%	0.38	S	S	*	.	B	Isolated β-bridge	trans	-63	144.6	179.2	-61.9	-17.3	0	0	0	112.2	S402 K403 H430	S402-N410 CarbonylContact O-C 3.53Å; S402-N410 WeakPolarHBondContact O-CA 3.37Å; K403-N410 WeakPolarHBondContact CG-OD1 3.38Å; N410-H430 PolarHBondContact O-NE2 2.94Å
411	I	85.9	Confident	81.7	Confident	8 Å²	8	76.9 Å²	76.9	4%	0.041	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-83.3	128.2	169.5	-63.4	173.9	0	0	0	108.6	S402 C404 G413 T418 Y429	S402-I411 PolarHBondContact O-N 3.41Å; C404-I411 HydrophobicContact CB-CD1 4.34Å; C404-I411 HydrophobicContact CB-CG1 4.14Å; I411-G413 PolarHBondContact O-N 2.73Å; I411-T418 VanDerWaalsContact CG2-O 3.22Å; I411-T418 WeakPolarHBondContact CG2-O 3.43Å; I411-Y429 WeakPolarHBondContact CD1-O 3.3Å
412	K	75.1	Confident	82.9	Confident	155 Å²	155	73.5 Å²	73.5	67%	0.674	34%	0.343	S	S	*	.			trans	-90.5	74.1	-171.6	-73.7	-170.3	174.4	-172.9	0	112.5	Y414 T418	K412-Y414 PolarHBondContact O-N 2.82Å; K412-T418 PolarHBondContact O-OG1 3.15Å
413	G	64.6	Low	83.5	Confident	10 Å²	10	72.1 Å²	72.1	10%	0.103	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76	26.8	179.3	0	0	0	0	0	117	I411	I411-G413 PolarHBondContact O-N 2.73Å
414	Y	61.4	Low	83.8	Confident	135 Å²	135	65.9 Å²	65.9	53%	0.529	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-21.8	-171.3	-68	-75.2	0	0	0	115.5	P338 K412	P338-Y414 HydrophobicContact CG-CD1 4.42Å; K412-Y414 PolarHBondContact O-N 2.82Å
415	Q	65.3	Low	84	Confident	159 Å²	159	66.2 Å²	66.2	74%	0.743	31%	0.308	S	S	*	.	S	Bend	trans	-115.2	-34.3	-172.5	-69	175.7	-61.8	0	0	112.8	F340	F340-Q415 WeakPolarHBondContact CE1-O 3.39Å; F340-Q415 VanDerWaalsContact CZ-O 3.27Å; F340-Q415 WeakPolarHBondContact CZ-O 3.33Å
416	T	70.7	Confident	84	Confident	78 Å²	78	63.5 Å²	63.5	48%	0.479	30%	0.295	S	S	.	.	S	Bend	trans	-152.1	170.9	177.5	52.9	0	0	0	0	109.8	T418	T416-T418 PolarHBondContact O-N 3.35Å; T416-T418 WeakPolarHBondContact OG1-CG2 3.36Å
417	L	79.4	Confident	84.1	Confident	14 Å²	14	57 Å²	57	7%	0.073	27%	0.272	C	S	.	.			trans	-58.9	114.3	161.7	-72.3	161.7	0	0	0	109.4	F340 H345	F340-L417 HydrophobicContact CB-CD1 4.19Å; F340-L417 HydrophobicContact CB-CD2 3.94Å; F340-L417 HydrophobicContact CB-CG 3.67Å; F340-L417 HydrophobicContact CG-CG 4.5Å; H345-L417 HydrophobicContact CB-CD1 4.32Å; H345-L417 WeakPolarHBondContact ND1-CD1 3.48Å
418	T	80.9	Confident	84.1	Confident	42 Å²	42	55.7 Å²	55.7	26%	0.258	26%	0.262	S	S	.	.			trans	-144.8	148.3	171.4	66.3	0	0	0	0	110.6	G398 I411 K412 T416	G398-T418 WeakPolarHBondContact CA-O 3.17Å; I411-T418 VanDerWaalsContact CG2-O 3.22Å; I411-T418 WeakPolarHBondContact CG2-O 3.43Å; K412-T418 PolarHBondContact O-OG1 3.15Å; T416-T418 PolarHBondContact O-N 3.35Å; T416-T418 WeakPolarHBondContact OG1-CG2 3.36Å
419	G	87.4	Confident	84.1	Confident	4 Å²	4	49.7 Å²	49.7	4%	0.041	24%	0.236	C	C	.	.			trans	92.3	142.5	-174.9	0	0	0	0	0	112.4	E397 G398 Y429 N431	E397-G419 WeakPolarHBondContact CA-O 3.39Å; G398-G419 PolarHBondContact N-O 3.22Å; G419-Y429 CarbonylContact C-O 3.56Å; G419-Y429 WeakPolarHBondContact CA-O 3.22Å; G419-N431 VanDerWaalsContact CA-OD1 3.25Å; G419-N431 WeakPolarHBondContact CA-OD1 3.4Å; G419-N431 PolarHBondContact N-OD1 2.68Å
420	L	90.3	Very high	84.1	Confident	29 Å²	29	42.2 Å²	42.2	15%	0.152	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	132.7	177.9	-63.9	166	0	0	0	108.5	W395 E397 T428 Y429 A434	W395-L420 HydrophobicContact CB-CD2 4.11Å; W395-L420 HydrophobicContact CD2-CB 4.04Å; W395-L420 HydrophobicContact CE3-CB 3.54Å; W395-L420 HydrophobicContact CG-CB 4.5Å; W395-L420 HydrophobicContact CZ3-CB 4.03Å; E397-L420 HydrophobicContact CG-CD2 3.89Å; L420-T428 WeakPolarHBondContact O-CA 3.49Å; L420-Y429 PolarHBondContact N-O 3.47Å; L420-Y429 PolarHBondContact O-N 2.68Å; L420-A434 HydrophobicContact CD1-CB 3.65Å
421	H	91.5	Very high	84.2	Confident	14 Å²	14	40.2 Å²	40.2	7%	0.065	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	127.3	173.9	167	65.7	0	0	0	109.5	W395 I396 Q426 A427 T428 Y530	W395-H421 WeakPolarHBondContact CA-O 3.47Å; W395-H421 VanDerWaalsContact CE3-C 3.42Å; I396-H421 PolarHBondContact N-O 2.79Å; I396-H421 PolarHBondContact O-N 3.12Å; H421-Q426 PolarHBondContact CE1-O 2.55Å; H421-Q426 VanDerWaalsContact CE1-O 3.22Å; H421-Q426 PolarHBondContact ND1-O 3.49Å; H421-A427 WeakPolarHBondContact CA-O 3.35Å; H421-T428 HydrophobicContact CB-CG2 4Å; H421-Y530 PolarHBondContact CE1-OH 3.33Å; H421-Y530 VanDerWaalsContact CE1-OH 3.3Å; H421-Y530 AromaticContact NE2-CE2 3.55Å; H421-Y530 AromaticContact NE2-CZ 3.54Å; H421-Y530 PolarHBondContact NE2-OH 3.21Å
422	C	92.6	Very high	84.3	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	124.9	176.7	-176.8	0	0	0	0	110	H393 V394 W395 W424 C425 Q426 A427	H393-C422 PolarHBondContact ND1-SG 2.99Å; V394-C422 WeakPolarHBondContact O-CA 3.22Å; W395-C422 HydrophobicContact CD2-CB 4.4Å; W395-C422 HydrophobicContact CE3-CB 3.8Å; W395-C422 HydrophobicContact CH2-CB 4Å; W395-C422 HydrophobicContact CZ3-CB 3.59Å; C422-W424 PolarHBondContact O-N 3.5Å; C422-C425 VanDerWaalsContact CB-SG 3.57Å; C422-Q426 CarbonylContact O-C 3.58Å; C422-Q426 WeakPolarHBondContact O-CA 3.45Å; C422-Q426 PolarHBondContact O-N 3.17Å; C422-A427 PolarHBondContact N-O 3.23Å
423	V	92.6	Very high	85	Confident	4 Å²	4	41.6 Å²	41.6	2%	0.024	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-30.9	-178.2	-171.9	0	0	0	0	112	C361 I378 V394 I396 Q426	C361-V423 HydrophobicContact CB-CG2 4.22Å; I378-V423 HydrophobicContact CD1-CG1 3.92Å; I378-V423 HydrophobicContact CG2-CB 4.22Å; I378-V423 HydrophobicContact CG2-CG1 4.07Å; I378-V423 HydrophobicContact CG2-CG2 4.08Å; V394-V423 HydrophobicContact CG1-CG2 4.49Å; V394-V423 PolarHBondContact O-N 2.82Å; V394-V423 VanDerWaalsContact O-N 3.08Å; I396-V423 HydrophobicContact CD1-CG2 4.46Å; I396-V423 HydrophobicContact CG1-CG2 3.56Å; V423-Q426 PolarHBondContact O-NE2 2.94Å
424	W	93.9	Very high	86	Confident	3 Å²	3	41.9 Å²	41.9	1%	0.011	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-52.9	-171.3	-63.4	113.7	0	0	0	114.1	I378 S379 M391 C422 Q426 I450 L452 P453 N533	I378-W424 HydrophobicContact CB-CZ2 3.94Å; I378-W424 HydrophobicContact CD1-CH2 3.72Å; I378-W424 HydrophobicContact CD1-CZ2 3.67Å; I378-W424 HydrophobicContact CG1-CH2 4.38Å; I378-W424 HydrophobicContact CG1-CZ2 4.05Å; S379-W424 WeakPolarHBondContact O-CZ2 3.44Å; M391-W424 HydrophobicContact CE-CD2 4.17Å; M391-W424 HydrophobicContact CE-CG 3.76Å; M391-W424 VanDerWaalsContact CE-NE1 3.31Å; C422-W424 PolarHBondContact O-N 3.5Å; W424-Q426 VanDerWaalsContact C-N 3.31Å; W424-I450 HydrophobicContact CE3-CD1 4Å; W424-I450 WeakPolarHBondContact O-CD1 3.36Å; W424-L452 HydrophobicContact CB-CD2 3.88Å; W424-L452 HydrophobicContact CE3-CD2 4.39Å; W424-L452 HydrophobicContact CG-CD2 4.33Å; W424-P453 HydrophobicContact CD2-CG 4.4Å; W424-P453 HydrophobicContact CH2-CG 3.61Å; W424-P453 HydrophobicContact CZ2-CG 3.27Å; W424-P453 HydrophobicContact CZ3-CG 4.29Å; W424-N533 HydrophobicContact CH2-CB 4.35Å; W424-N533 HydrophobicContact CZ3-CB 3.8Å
425	C	93	Very high	87.1	Confident	6 Å²	6	40.5 Å²	40.5	4%	0.041	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	3.1	176.9	68.7	0	0	0	0	113.6	H393 C422 A427 G443	H393-C425 VanDerWaalsContact CE1-SG 3.51Å; C422-C425 VanDerWaalsContact CB-SG 3.57Å; C425-A427 PolarHBondContact O-N 2.99Å; C425-A427 VanDerWaalsContact SG-CB 3.54Å; C425-G443 WeakPolarHBondContact CA-O 3.38Å
426	Q	91.6	Very high	87.8	Confident	31 Å²	31	35.8 Å²	35.8	15%	0.145	20%	0.201	C	C	.	.			trans	59.4	-1.7	-175.9	-65.2	-71.4	-57.2	0	0	116	H421 C422 V423 W424 L446 Y530 L531	H421-Q426 PolarHBondContact CE1-O 2.55Å; H421-Q426 VanDerWaalsContact CE1-O 3.22Å; H421-Q426 PolarHBondContact ND1-O 3.49Å; C422-Q426 CarbonylContact O-C 3.58Å; C422-Q426 WeakPolarHBondContact O-CA 3.45Å; C422-Q426 PolarHBondContact O-N 3.17Å; V423-Q426 PolarHBondContact O-NE2 2.94Å; W424-Q426 VanDerWaalsContact C-N 3.31Å; Q426-L446 HydrophobicContact CG-CD1 3.85Å; Q426-Y530 PolarHBondContact NE2-O 2.87Å; Q426-Y530 PolarHBondContact OE1-OH 2.69Å; Q426-L531 HydrophobicContact CG-CD2 4.06Å
427	A	90.6	Very high	88.3	Confident	4 Å²	4	34.4 Å²	34.4	3%	0.033	19%	0.19	C	C	.	.			trans	-66.8	151.7	-169.8	0	0	0	0	0	113.7	E405 H421 C422 C425 Y429 M437	E405-A427 WeakPolarHBondContact OE1-CA 3.31Å; E405-A427 WeakPolarHBondContact OE1-CB 3.41Å; E405-A427 WeakPolarHBondContact OE2-CB 3.39Å; H421-A427 WeakPolarHBondContact CA-O 3.35Å; C422-A427 PolarHBondContact N-O 3.23Å; C425-A427 PolarHBondContact O-N 2.99Å; C425-A427 VanDerWaalsContact SG-CB 3.54Å; A427-Y429 HydrophobicContact CB-CE2 3.94Å; A427-M437 HydrophobicContact CB-CE 4.08Å
428	T	91.3	Very high	88.5	Confident	17 Å²	17	41.5 Å²	41.5	10%	0.104	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	134.6	-177.8	62.5	0	0	0	0	114	K403 C404 E405 L420 H421	K403-T428 PolarHBondContact O-OG1 3.49Å; C404-T428 CarbonylContact C-O 3.56Å; C404-T428 WeakPolarHBondContact CA-O 3.38Å; E405-T428 PolarHBondContact N-O 3.17Å; E405-T428 PolarHBondContact OE1-N 3.23Å; L420-T428 WeakPolarHBondContact O-CA 3.49Å; H421-T428 HydrophobicContact CB-CG2 4Å
429	Y	90.7	Very high	88.7	Confident	27 Å²	27	42.8 Å²	42.8	11%	0.106	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	150.7	-175	-72.3	-103.9	0	0	0	111.3	W395 E405 R406 I411 G419 L420 A427 C433 M437	W395-Y429 AromaticContact CH2-CD2 3.96Å; W395-Y429 HydrophobicContact CH2-CD2 3.96Å; W395-Y429 HydrophobicContact CH2-CE2 4.46Å; W395-Y429 HydrophobicContact CZ3-CD2 4.35Å; E405-Y429 HydrophobicContact CB-CE1 4.48Å; E405-Y429 HydrophobicContact CB-CE2 4.19Å; R406-Y429 HydrophobicContact CB-CD1 4Å; R406-Y429 HydrophobicContact CB-CE1 3.82Å; I411-Y429 WeakPolarHBondContact CD1-O 3.3Å; G419-Y429 CarbonylContact C-O 3.56Å; G419-Y429 WeakPolarHBondContact CA-O 3.22Å; L420-Y429 PolarHBondContact N-O 3.47Å; L420-Y429 PolarHBondContact O-N 2.68Å; A427-Y429 HydrophobicContact CB-CE2 3.94Å; Y429-C433 HydrophobicContact CD1-CB 4.09Å; Y429-M437 HydrophobicContact CD2-SD 4.03Å; Y429-M437 HydrophobicContact CE1-SD 4.46Å; Y429-M437 HydrophobicContact CE2-CE 3.8Å; Y429-M437 HydrophobicContact CE2-SD 3.4Å; Y429-M437 WeakPolarHBondContact CE2-SD 3.43Å
430	H	90.4	Very high	88.9	Confident	35 Å²	35	48 Å²	48	16%	0.162	26%	0.258	C	S	.	.			trans	-65.8	150.4	157.9	-56.8	109.3	0	0	0	109.1	C404 C407 R409 N410 K432 C433 A434	C404-H430 WeakPolarHBondContact CB-CE1 3.46Å; C404-H430 VanDerWaalsContact CB-ND1 3.28Å; C404-H430 WeakPolarHBondContact CB-ND1 3.4Å; C404-H430 PolarHBondContact SG-N 2.87Å; C404-H430 VanDerWaalsContact SG-N 3.37Å; C404-H430 PolarHBondContact SG-ND1 3.2Å; C407-H430 VanDerWaalsContact SG-CE1 3.54Å; R409-H430 PolarHBondContact O-CE1 3.35Å; N410-H430 PolarHBondContact O-NE2 2.94Å; H430-K432 VanDerWaalsContact C-N 3.26Å; H430-K432 HydrophobicContact CB-CG 4.29Å; H430-K432 PolarHBondContact O-N 2.75Å; H430-C433 HydrophobicContact CB-CB 4.18Å; H430-C433 WeakPolarHBondContact O-CA 3.41Å; H430-C433 WeakPolarHBondContact O-CB 3.38Å; H430-C433 PolarHBondContact O-N 1.94Å; H430-A434 PolarHBondContact O-N 3.23Å
431	N	88.3	Confident	89	Confident	69 Å²	69	46.8 Å²	46.8	37%	0.369	25%	0.252	S	S	.	.	H	α-helix	trans	-51.5	-46.3	179.9	-56.3	32.3	0	0	0	111.3	E397 G419 C433 A434	E397-N431 PolarHBondContact OE1-ND2 3.15Å; G419-N431 VanDerWaalsContact CA-OD1 3.25Å; G419-N431 WeakPolarHBondContact CA-OD1 3.4Å; G419-N431 PolarHBondContact N-OD1 2.68Å; N431-C433 PolarHBondContact O-N 2.88Å; N431-C433 VanDerWaalsContact O-N 3.14Å; N431-A434 PolarHBondContact O-N 3.01Å
432	K	88.4	Confident	89	Confident	179 Å²	179	49.2 Å²	49.2	78%	0.778	27%	0.266	S	S	*	.	H	α-helix	trans	-69.5	-2.1	175.8	71.6	172.5	-173.7	174.4	0	116.4	H430	H430-K432 VanDerWaalsContact C-N 3.26Å; H430-K432 HydrophobicContact CB-CG 4.29Å; H430-K432 PolarHBondContact O-N 2.75Å
433	C	89.7	Confident	89.1	Confident	13 Å²	13	49.2 Å²	49.2	9%	0.088	27%	0.266	C	S	.	.	H	α-helix	trans	-109.8	-19.4	179.6	-69.2	0	0	0	0	112.5	R406 Y429 H430 N431 S436	R406-C433 HydrophobicContact CB-CB 4.14Å; R406-C433 WeakPolarHBondContact CD-O 3.33Å; Y429-C433 HydrophobicContact CD1-CB 4.09Å; H430-C433 HydrophobicContact CB-CB 4.18Å; H430-C433 WeakPolarHBondContact O-CA 3.41Å; H430-C433 WeakPolarHBondContact O-CB 3.38Å; H430-C433 PolarHBondContact O-N 1.94Å; N431-C433 PolarHBondContact O-N 2.88Å; N431-C433 VanDerWaalsContact O-N 3.14Å; C433-S436 PolarHBondContact O-N 3.26Å
434	A	85.9	Confident	89.1	Confident	17 Å²	17	50.7 Å²	50.7	14%	0.14	28%	0.281	C	S	.	.	H	α-helix	trans	-70.7	-29.2	-177.4	0	0	0	0	0	112.9	L420 H430 N431 S436 M437	L420-A434 HydrophobicContact CD1-CB 3.65Å; H430-A434 PolarHBondContact O-N 3.23Å; N431-A434 PolarHBondContact O-N 3.01Å; A434-S436 PolarHBondContact O-N 3.47Å; A434-M437 VanDerWaalsContact O-CB 3.31Å; A434-M437 WeakPolarHBondContact O-CB 3.42Å; A434-M437 PolarHBondContact O-N 2.77Å
435	S	84.5	Confident	89.1	Confident	106 Å²	106	55.8 Å²	55.8	74%	0.741	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-5.3	174	57.6	0	0	0	0	114.9
436	S	80	Confident	89.2	Confident	59 Å²	59	55.6 Å²	55.6	41%	0.413	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.4	12.9	174.2	-44.8	0	0	0	0	113.2	R406 C433 A434	R406-S436 VanDerWaalsContact CZ-OG 3.26Å; R406-S436 VanDerWaalsContact NE-CB 3.32Å; R406-S436 PolarHBondContact NE-OG 2.92Å; R406-S436 PolarHBondContact NH2-OG 3.3Å; C433-S436 PolarHBondContact O-N 3.26Å; A434-S436 PolarHBondContact O-N 3.47Å
437	M	81.7	Confident	89.4	Confident	49 Å²	49	57.8 Å²	57.8	24%	0.241	32%	0.321	C	S	.	.	S	Bend	trans	-85.9	165.8	168.4	-162.5	165.2	-168.5	0	0	109.7	H393 W395 A427 Y429 A434	H393-M437 WeakPolarHBondContact CE1-CE 3.45Å; W395-M437 HydrophobicContact CH2-SD 3.56Å; W395-M437 VanDerWaalsContact CH2-SD 3.56Å; W395-M437 HydrophobicContact CZ2-SD 3.75Å; A427-M437 HydrophobicContact CB-CE 4.08Å; Y429-M437 HydrophobicContact CD2-SD 4.03Å; Y429-M437 HydrophobicContact CE1-SD 4.46Å; Y429-M437 HydrophobicContact CE2-CE 3.8Å; Y429-M437 HydrophobicContact CE2-SD 3.4Å; Y429-M437 WeakPolarHBondContact CE2-SD 3.43Å; A434-M437 VanDerWaalsContact O-CB 3.31Å; A434-M437 WeakPolarHBondContact O-CB 3.42Å; A434-M437 PolarHBondContact O-N 2.77Å
438	K	83.9	Confident	89.7	Confident	164 Å²	164	58.9 Å²	58.9	71%	0.713	33%	0.326	S	S	*	.			trans	-61.9	148.8	161.9	-66	-177.5	177.2	-176.6	0	108.9	H393 E440	H393-K438 PolarHBondContact CD2-O 2.91Å; H393-K438 PolarHBondContact NE2-O 2.67Å; K438-E440 VanDerWaalsContact C-N 3.28Å
439	A	84.6	Confident	90	Very high	68 Å²	68	58.3 Å²	58.3	56%	0.562	32%	0.322	S	S	*	.	S	Bend	trans	-68.7	-33	171.8	0	0	0	0	0	111.7	Q392 H393	Q392-A439 PolarHBondContact OE1-O 3.23Å; H393-A439 PolarHBondContact CD2-O 3.09Å
440	E	91.1	Very high	90.3	Very high	114 Å²	114	57.1 Å²	57.1	53%	0.533	32%	0.318	S	S	.	.	B	Isolated β-bridge	trans	-89.4	131.5	-174.3	-50.1	-176.8	159.2	0	0	111.8	V390 M391 H393 K438	V390-E440 HydrophobicContact CG1-CB 4.32Å; V390-E440 HydrophobicContact CG1-CG 3.63Å; V390-E440 WeakPolarHBondContact CG1-OE1 3.36Å; M391-E440 CarbonylContact O-C 3.6Å; M391-E440 WeakPolarHBondContact O-CA 3.43Å; H393-E440 PolarHBondContact NE2-O 3.44Å; K438-E440 VanDerWaalsContact C-N 3.28Å
441	C	92.7	Very high	90.5	Very high	4 Å²	4	55.5 Å²	55.5	3%	0.027	31%	0.31	C	S	.	.			trans	-95	110.1	179.1	-176.7	0	0	0	0	110.3	M391 H393 L452	M391-C441 HydrophobicContact CG-CB 4.19Å; M391-C441 PolarHBondContact O-N 3.03Å; H393-C441 HydrophobicContact CB-CB 4.43Å; H393-C441 WeakPolarHBondContact ND1-CB 3.31Å; C441-L452 WeakPolarHBondContact O-CD1 3.44Å
442	D	92.1	Very high	90.8	Very high	65 Å²	65	52.3 Å²	52.3	35%	0.348	29%	0.293	S	S	.	.			trans	-95.7	14.8	-179.8	79.1	-24.4	0	0	0	114.1	G444 K447	D442-G444 PolarHBondContact O-N 3.01Å; D442-G444 PolarHBondContact OD1-N 3.2Å; D442-K447 HydrophobicContact CB-CD 4.4Å; D442-K447 WeakPolarHBondContact O-CB 3.33Å; D442-K447 WeakPolarHBondContact O-CD 3.41Å; D442-K447 VanDerWaalsContact O-CG 3.24Å; D442-K447 WeakPolarHBondContact O-CG 3.39Å; D442-K447 IonicContact OD2-NZ 2.73Å; D442-K447 PolarHBondContact OD2-NZ 3.28Å
443	G	93.4	Very high	90.9	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	26%	0.258	C	S	.	.			trans	79.8	-9.4	-174	0	0	0	0	0	114.6	C425 T445 L446	C425-G443 WeakPolarHBondContact CA-O 3.38Å; G443-T445 PolarHBondContact O-N 3.29Å; G443-L446 PolarHBondContact O-N 3.16Å
444	G	93.6	Very high	90.9	Very high	34 Å²	34	44 Å²	44	35%	0.351	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	51.9	-125.7	175.1	0	0	0	0	0	113.2	D442 L446 K447	D442-G444 PolarHBondContact O-N 3.01Å; D442-G444 PolarHBondContact OD1-N 3.2Å; G444-L446 PolarHBondContact O-N 2.9Å; G444-K447 VanDerWaalsContact O-CB 3.26Å; G444-K447 WeakPolarHBondContact O-CB 3.12Å; G444-K447 PolarHBondContact O-N 3.09Å
445	T	93.1	Very high	91.1	Very high	110 Å²	110	45.3 Å²	45.3	68%	0.675	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-67.2	-4.4	-179.1	63.7	0	0	0	0	115.2	G443 M614	G443-T445 PolarHBondContact O-N 3.29Å; T445-M614 WeakPolarHBondContact OG1-CE 3.34Å
446	L	95.8	Very high	91.2	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.01	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-110.5	1.3	178.1	-65	-178.6	0	0	0	113.5	Q426 G443 G444 D448 H449 I450 L531 M614 L617	Q426-L446 HydrophobicContact CG-CD1 3.85Å; G443-L446 PolarHBondContact O-N 3.16Å; G444-L446 PolarHBondContact O-N 2.9Å; L446-D448 VanDerWaalsContact C-N 3.27Å; L446-D448 PolarHBondContact O-N 2.82Å; L446-D448 VanDerWaalsContact O-N 3.13Å; L446-H449 PolarHBondContact O-N 2.98Å; L446-I450 HydrophobicContact CB-CB 4.12Å; L446-I450 HydrophobicContact CB-CG2 4.03Å; L446-I450 WeakPolarHBondContact O-CB 3.23Å; L446-I450 VanDerWaalsContact O-CG2 3.28Å; L446-I450 WeakPolarHBondContact O-CG2 3.43Å; L446-I450 PolarHBondContact O-N 3.38Å; L446-L531 HydrophobicContact CD1-CB 4.21Å; L446-L531 WeakPolarHBondContact CD1-O 3.49Å; L446-M614 HydrophobicContact CD1-CE 4.37Å; L446-M614 HydrophobicContact CD1-SD 4.36Å; L446-M614 HydrophobicContact CD2-CE 3.58Å; L446-M614 HydrophobicContact CD2-SD 3.84Å; L446-M614 HydrophobicContact CG-CE 3.94Å; L446-M614 HydrophobicContact CG-SD 4.43Å; L446-L617 HydrophobicContact CD2-CB 4.46Å; L446-L617 HydrophobicContact CD2-CD1 3.61Å
447	K	95.5	Very high	90.8	Very high	78 Å²	78	38 Å²	38	34%	0.339	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-36.9	-172.3	-178.1	171.6	-168.3	170.1	0	115.4	D442 G444 H449 L502 T505	D442-K447 HydrophobicContact CB-CD 4.4Å; D442-K447 WeakPolarHBondContact O-CB 3.33Å; D442-K447 WeakPolarHBondContact O-CD 3.41Å; D442-K447 VanDerWaalsContact O-CG 3.24Å; D442-K447 WeakPolarHBondContact O-CG 3.39Å; D442-K447 IonicContact OD2-NZ 2.73Å; D442-K447 PolarHBondContact OD2-NZ 3.28Å; G444-K447 VanDerWaalsContact O-CB 3.26Å; G444-K447 WeakPolarHBondContact O-CB 3.12Å; G444-K447 PolarHBondContact O-N 3.09Å; K447-H449 VanDerWaalsContact C-N 3.29Å; K447-H449 PolarHBondContact O-N 3.24Å; K447-L502 VanDerWaalsContact CE-CD2 3.43Å; K447-L502 HydrophobicContact CG-CD2 4.47Å; K447-T505 HydrophobicContact CG-CG2 4.34Å; K447-T505 WeakPolarHBondContact O-CG2 3.45Å
448	D	96.6	Very high	89.9	Confident	27 Å²	27	36 Å²	36	14%	0.144	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-32.5	177.3	-172.2	40.2	0	0	0	112.4	L446 H506 R559	L446-D448 VanDerWaalsContact C-N 3.27Å; L446-D448 PolarHBondContact O-N 2.82Å; L446-D448 VanDerWaalsContact O-N 3.13Å; D448-H506 CarbonylContact O-C 3.58Å; D448-H506 WeakPolarHBondContact O-CA 3.31Å; D448-H506 PolarHBondContact O-N 2.9Å; D448-H506 VanDerWaalsContact O-O 3.06Å; D448-H506 IonicContact OD1-CE1 2.75Å; D448-H506 IonicContact OD1-CG 3.55Å; D448-H506 PolarHBondContact OD1-N 2.58Å; D448-H506 VanDerWaalsContact OD1-N 3.12Å; D448-H506 IonicContact OD1-ND1 3.61Å; D448-H506 PolarHBondContact OD1-ND1 2.93Å; D448-H506 IonicContact OD2-ND1 3.84Å; D448-R559 IonicContact OD2-CZ 3.73Å; D448-R559 IonicContact OD2-NH1 2.68Å; D448-R559 PolarHBondContact OD2-NH1 3.06Å; D448-R559 IonicContact OD2-NH2 2.69Å
449	H	97.6	Very high	88.6	Confident	4 Å²	4	29.2 Å²	29.2	2%	0.019	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.6	-23.8	-170.2	-57	-55.9	0	0	0	114.4	L446 K447 L508 L532 Q536 R559 L617	L446-H449 PolarHBondContact O-N 2.98Å; K447-H449 VanDerWaalsContact C-N 3.29Å; K447-H449 PolarHBondContact O-N 3.24Å; H449-L508 HydrophobicContact CB-CB 3.85Å; H449-L508 PolarHBondContact O-N 2.71Å; H449-L532 HydrophobicContact CB-CD2 4.11Å; H449-Q536 PolarHBondContact O-NE2 2.74Å; H449-R559 PolarHBondContact CE1-NH1 3.15Å; H449-L617 PolarHBondContact NE2-O 3.23Å
450	I	96.9	Very high	86.7	Confident	3 Å²	3	31 Å²	31	2%	0.015	18%	0.177	C	C	.	.			trans	-93.4	125.9	-166.3	-161.5	172.1	0	0	0	113.6	W424 L446 L452 L531 L532	W424-I450 HydrophobicContact CE3-CD1 4Å; W424-I450 WeakPolarHBondContact O-CD1 3.36Å; L446-I450 HydrophobicContact CB-CB 4.12Å; L446-I450 HydrophobicContact CB-CG2 4.03Å; L446-I450 WeakPolarHBondContact O-CB 3.23Å; L446-I450 VanDerWaalsContact O-CG2 3.28Å; L446-I450 WeakPolarHBondContact O-CG2 3.43Å; L446-I450 PolarHBondContact O-N 3.38Å; I450-L452 HydrophobicContact CG2-CD2 4.15Å; I450-L452 HydrophobicContact CG2-CG 4.39Å; I450-L452 PolarHBondContact O-N 3.15Å; I450-L531 WeakPolarHBondContact CD1-O 3.49Å; I450-L532 HydrophobicContact CB-CD2 4.06Å; I450-L532 HydrophobicContact CG1-CD2 4.23Å
451	L	95	Very high	84.5	Confident	1 Å²	1	28.3 Å²	28.3	1%	0.005	17%	0.166	C	C	.	.			trans	-83.8	95.9	167.8	-67.6	178.2	0	0	0	109.3	I456 I499 P501 P507 N533 Q536 F552	L451-I456 HydrophobicContact CB-CD1 4.01Å; L451-I456 HydrophobicContact CB-CG1 4.31Å; L451-I456 HydrophobicContact CD1-CD1 4.3Å; L451-I499 HydrophobicContact CD1-CD1 4.01Å; L451-I499 HydrophobicContact CD1-CG2 3.75Å; L451-I499 HydrophobicContact CD2-CG2 3.74Å; L451-I499 HydrophobicContact CG-CG2 4.39Å; L451-P501 HydrophobicContact CD2-CB 4.15Å; L451-P507 HydrophobicContact CD1-CB 4.39Å; L451-P507 HydrophobicContact CD2-CB 3.83Å; L451-P507 HydrophobicContact CD2-CG 3.75Å; L451-P507 HydrophobicContact CG-CB 4.04Å; L451-P507 HydrophobicContact CG-CG 4.49Å; L451-N533 WeakPolarHBondContact O-CB 3.36Å; L451-N533 PolarHBondContact O-ND2 3.44Å; L451-Q536 HydrophobicContact CB-CG 4.24Å; L451-Q536 HydrophobicContact CD1-CG 4.18Å; L451-Q536 HydrophobicContact CG-CG 4.35Å; L451-F552 HydrophobicContact CD1-CE1 4.17Å; L451-F552 HydrophobicContact CD1-CZ 3.84Å
452	L	94.4	Very high	82.1	Confident	1 Å²	1	30.2 Å²	30.2	1%	0.005	18%	0.175	C	C	.	.			trans	-60.4	150.6	171.3	-61.2	174.5	0	0	0	110.3	M391 W424 C441 I450 S454 Y455	M391-L452 HydrophobicContact CB-CD1 4.27Å; M391-L452 HydrophobicContact CG-CB 4.25Å; M391-L452 HydrophobicContact CG-CD1 4.09Å; W424-L452 HydrophobicContact CB-CD2 3.88Å; W424-L452 HydrophobicContact CE3-CD2 4.39Å; W424-L452 HydrophobicContact CG-CD2 4.33Å; C441-L452 WeakPolarHBondContact O-CD1 3.44Å; I450-L452 HydrophobicContact CG2-CD2 4.15Å; I450-L452 HydrophobicContact CG2-CG 4.39Å; I450-L452 PolarHBondContact O-N 3.15Å; L452-S454 PolarHBondContact O-N 3.09Å; L452-S454 VanDerWaalsContact O-N 3.08Å; L452-Y455 HydrophobicContact CB-CD2 3.9Å; L452-Y455 HydrophobicContact CB-CE2 3.89Å; L452-Y455 HydrophobicContact CB-CG 4.36Å; L452-Y455 HydrophobicContact CD1-CE2 3.84Å; L452-Y455 HydrophobicContact CG-CD2 4.34Å; L452-Y455 HydrophobicContact CG-CE2 3.89Å; L452-Y455 WeakPolarHBondContact O-CB 3.25Å; L452-Y455 PolarHBondContact O-N 2.9Å
453	P	90.8	Very high	79.7	Confident	9 Å²	9	37 Å²	37	6%	0.058	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-52.1	-32.7	177.8	-30.3	36.5	0	0	0	114.4	S379 Y381 A382 M391 W424 Y455 I456	S379-P453 WeakPolarHBondContact O-CG 3.31Å; Y381-P453 CarbonylContact C-O 3.58Å; Y381-P453 WeakPolarHBondContact CA-O 3.47Å; A382-P453 PolarHBondContact N-O 3.42Å; M391-P453 HydrophobicContact CE-CG 3.97Å; M391-P453 HydrophobicContact SD-CB 4.48Å; M391-P453 HydrophobicContact SD-CG 4.44Å; W424-P453 HydrophobicContact CD2-CG 4.4Å; W424-P453 HydrophobicContact CH2-CG 3.61Å; W424-P453 HydrophobicContact CZ2-CG 3.27Å; W424-P453 HydrophobicContact CZ3-CG 4.29Å; P453-Y455 PolarHBondContact O-N 3.32Å; P453-I456 PolarHBondContact O-N 3.24Å
454	S	89.5	Confident	77.2	Confident	10 Å²	10	45 Å²	45	7%	0.07	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-59.3	-24.6	174.3	52.9	0	0	0	0	114.4	H387 L452	H387-S454 WeakPolarHBondContact O-CA 3.45Å; H387-S454 WeakPolarHBondContact O-CB 3.49Å; L452-S454 PolarHBondContact O-N 3.09Å; L452-S454 VanDerWaalsContact O-N 3.08Å
455	Y	90.3	Very high	74.6	Confident	43 Å²	43	46.8 Å²	46.8	17%	0.169	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-93.2	1.2	-177.7	-53.4	-24.8	0	0	0	113.3	L452 P453 I499 T500 L502	L452-Y455 HydrophobicContact CB-CD2 3.9Å; L452-Y455 HydrophobicContact CB-CE2 3.89Å; L452-Y455 HydrophobicContact CB-CG 4.36Å; L452-Y455 HydrophobicContact CD1-CE2 3.84Å; L452-Y455 HydrophobicContact CG-CD2 4.34Å; L452-Y455 HydrophobicContact CG-CE2 3.89Å; L452-Y455 WeakPolarHBondContact O-CB 3.25Å; L452-Y455 PolarHBondContact O-N 2.9Å; P453-Y455 PolarHBondContact O-N 3.32Å; Y455-I499 CarbonylContact O-C 3.58Å; Y455-I499 WeakPolarHBondContact O-CA 3.48Å; Y455-T500 WeakPolarHBondContact CB-O 3.11Å; Y455-T500 PolarHBondContact O-N 3.16Å; Y455-L502 HydrophobicContact CE2-CB 4.13Å
456	I	86.5	Confident	71.7	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	126	178.3	-51.5	-178	0	0	0	107.5	Y381 A382 L451 P453 L497 Q498 I499 R535 F551	Y381-I456 WeakPolarHBondContact CB-O 3.39Å; A382-I456 PolarHBondContact N-O 3.26Å; L451-I456 HydrophobicContact CB-CD1 4.01Å; L451-I456 HydrophobicContact CB-CG1 4.31Å; L451-I456 HydrophobicContact CD1-CD1 4.3Å; P453-I456 PolarHBondContact O-N 3.24Å; I456-L497 HydrophobicContact CG2-CB 3.94Å; I456-L497 HydrophobicContact CG2-CD1 4.16Å; I456-L497 HydrophobicContact CG2-CD2 4.46Å; I456-L497 HydrophobicContact CG2-CG 4.42Å; I456-Q498 WeakPolarHBondContact CA-O 3.46Å; I456-I499 HydrophobicContact CG1-CG1 4.38Å; I456-R535 HydrophobicContact CD1-CB 4.44Å; I456-F551 HydrophobicContact CD1-CZ 4.35Å; I456-F551 HydrophobicContact CG2-CZ 4.26Å
457	C	72.8	Confident	68.8	Low	13 Å²	13	51.7 Å²	51.7	9%	0.088	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	152.1	-179.7	68.9	0	0	0	0	112.4	A382 T388 A459 L497 Q498	A382-C457 HydrophobicContact CB-CB 4.44Å; T388-C457 HydrophobicContact CG2-CB 4.01Å; C457-A459 PolarHBondContact O-N 3.33Å; C457-L497 CarbonylContact O-C 3.57Å; C457-L497 WeakPolarHBondContact O-CA 3.47Å; C457-Q498 PolarHBondContact N-O 3.46Å; C457-Q498 PolarHBondContact O-N 3.04Å
458	P	62.4	Low	66	Low	7 Å²	7	57.2 Å²	57.2	5%	0.045	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	128.3	171	-24.4	33.8	0	0	0	111.5	Y381 V460 L461 Q495 L497	Y381-P458 HydrophobicContact CD2-CG 4.34Å; Y381-P458 HydrophobicContact CE2-CG 4.15Å; P458-V460 PolarHBondContact O-N 3.49Å; P458-V460 VanDerWaalsContact O-N 3.09Å; P458-L461 HydrophobicContact CB-CG 4.41Å; P458-L461 HydrophobicContact CG-CD1 4.46Å; P458-L461 VanDerWaalsContact O-CB 3.3Å; P458-L461 WeakPolarHBondContact O-CB 3.23Å; P458-L461 PolarHBondContact O-N 3.22Å; P458-Q495 HydrophobicContact CB-CB 4.36Å; P458-L497 HydrophobicContact CB-CD2 4.41Å; P458-L497 HydrophobicContact CG-CD2 3.86Å
459	A	55.9	Low	63.2	Low	20 Å²	20	68.2 Å²	68.2	17%	0.165	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-58.7	-26.4	-176.1	0	0	0	0	0	113.5	C457 L461 D462 R463 T496 Q498	C457-A459 PolarHBondContact O-N 3.33Å; A459-L461 PolarHBondContact O-N 2.88Å; A459-D462 PolarHBondContact O-N 3.46Å; A459-R463 PolarHBondContact O-N 3.46Å; A459-T496 WeakPolarHBondContact CB-O 3.4Å; A459-T496 PolarHBondContact N-O 2.68Å; A459-Q498 HydrophobicContact CB-CB 4.24Å
460	V	44.9	Very low	59.8	Low	107 Å²	107	71.8 Å²	71.8	65%	0.648	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-56.2	-32.3	171.3	-174.9	0	0	0	0	111.7	P458	P458-V460 PolarHBondContact O-N 3.49Å; P458-V460 VanDerWaalsContact O-N 3.09Å
461	L	45.5	Very low	56.9	Low	57 Å²	57	81.4 Å²	81.4	30%	0.298	43%	0.425	S	S	.	.	G	3₁₀ helix	trans	-77.2	-21.1	177.5	-62.3	-174.1	0	0	0	113.5	R385 P458 A459	R385-L461 WeakPolarHBondContact CD-O 3.45Å; R385-L461 HydrophobicContact CG-CB 4.01Å; R385-L461 PolarHBondContact NH1-O 3.3Å; P458-L461 HydrophobicContact CB-CG 4.41Å; P458-L461 HydrophobicContact CG-CD1 4.46Å; P458-L461 VanDerWaalsContact O-CB 3.3Å; P458-L461 WeakPolarHBondContact O-CB 3.23Å; P458-L461 PolarHBondContact O-N 3.22Å; A459-L461 PolarHBondContact O-N 2.88Å
462	D	42.1	Very low	54	Low	43 Å²	43	85 Å²	85	23%	0.23	46%	0.463	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-20.7	-174.5	-162.4	40.9	0	0	0	114.4	R385 A459 H464 S465 Q498	R385-D462 IonicContact NH1-OD1 3.82Å; A459-D462 PolarHBondContact O-N 3.46Å; D462-H464 PolarHBondContact O-N 2.87Å; D462-S465 WeakPolarHBondContact O-CB 3.4Å; D462-S465 PolarHBondContact O-N 3.36Å; D462-S465 VanDerWaalsContact OD1-CB 3.3Å; D462-S465 WeakPolarHBondContact OD1-CB 3.15Å; D462-Q498 PolarHBondContact OD2-NE2 2.98Å
463	R	42	Very low	50.9	Low	209 Å²	209	94.4 Å²	94.4	79%	0.789	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-6.3	-176.9	-79.6	-173.4	170.7	-167.8	-2.4	117.3	A459	A459-R463 PolarHBondContact O-N 3.46Å
464	H	39.7	Very low	48	Very low	168 Å²	168	99 Å²	99	78%	0.778	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	6.9	172.2	-69	-73.4	0	0	0	114.5	D462	D462-H464 PolarHBondContact O-N 2.87Å
465	S	38.5	Very low	45.3	Very low	70 Å²	70	104.4 Å²	104.4	49%	0.49	57%	0.572	S	S	.	*	S	Bend	trans	-81.8	-40.8	-174	-156.6	0	0	0	0	113.7	D462	D462-S465 WeakPolarHBondContact O-CB 3.4Å; D462-S465 PolarHBondContact O-N 3.36Å; D462-S465 VanDerWaalsContact OD1-CB 3.3Å; D462-S465 WeakPolarHBondContact OD1-CB 3.15Å
466	T	33.8	Very low	42.5	Very low	130 Å²	130	108.2 Å²	108.2	80%	0.798	60%	0.602	S	S	*	*	S	Bend	trans	-86.2	-14.1	-169.6	42.6	0	0	0	0	115.3	K468	T466-K468 VanDerWaalsContact C-N 3.3Å; T466-K468 PolarHBondContact O-N 3.03Å
467	A	34.3	Very low	39.8	Very low	85 Å²	85	114.9 Å²	114.9	70%	0.702	64%	0.638	S	S	*	*			trans	-85.8	48.6	-173.7	0	0	0	0	0	114.2
468	K	36.6	Very low	37.7	Very low	195 Å²	195	120.9 Å²	120.9	85%	0.848	67%	0.674	S	S	*	*			trans	-162	72.9	172.1	-123	167.7	-168.7	176.8	0	117	T466	T466-K468 VanDerWaalsContact C-N 3.3Å; T466-K468 PolarHBondContact O-N 3.03Å
469	R	37.3	Very low	36	Very low	257 Å²	257	125.3 Å²	125.3	97%	0.97	71%	0.705	S	S	*	*			trans	-171.4	123.9	139.5	-107.5	167.9	-170.4	-147.5	-0.6	110.9
470	G	27.2	Very low	35.1	Very low	80 Å²	80	130.2 Å²	130.2	83%	0.825	74%	0.735	S	S	*	*			trans	156.6	88.7	-173.5	0	0	0	0	0	108.5
471	E	34.9	Very low	34.4	Very low	204 Å²	204	132.9 Å²	132.9	95%	0.953	75%	0.746	S	S	*	*			trans	-92.8	145	176.6	-67.7	179.5	121.6	0	0	110
472	G	34	Very low	33.5	Very low	76 Å²	76	135.4 Å²	135.4	78%	0.784	76%	0.759	S	S	*	*			trans	99.4	85.4	167.1	0	0	0	0	0	115.8
473	E	29.8	Very low	33.1	Very low	200 Å²	200	138.7 Å²	138.7	94%	0.935	79%	0.793	S	S	*	*				-161.8	178.8	111.1	-109.6	-179.7	163.1	0	0	111.8
474	S	30.5	Very low	32.7	Very low	106 Å²	106	132.8 Å²	132.8	74%	0.741	78%	0.783	S	S	*	*			trans	-83.4	151.7	-155	52.9	0	0	0	0	117
475	T	31.8	Very low	32.1	Very low	122 Å²	122	132.9 Å²	132.9	75%	0.748	78%	0.782	S	S	*	*			trans	-62.7	149.4	164	45	0	0	0	0	113.6
476	P	32.9	Very low	31.4	Very low	123 Å²	123	136 Å²	136	80%	0.799	80%	0.798	S	S	*	*			trans	-114.2	162.8	131.4	34.8	-31.1	0	0	0	112.3
477	N	28.8	Very low	30.8	Very low	141 Å²	141	138.7 Å²	138.7	75%	0.754	80%	0.799	S	S	*	*			trans	-90.5	-178.9	-173.2	-66.7	-34.8	0	0	0	113.5
478	T	28.3	Very low	30.2	Very low	139 Å²	139	144.2 Å²	144.2	85%	0.853	81%	0.807	S	S	*	*			trans	83.5	130.9	166	-25	0	0	0	0	113.5
479	S	27	Very low	29.5	Very low	99 Å²	99	144 Å²	144	69%	0.692	81%	0.806	S	S	*	*			cis	-155.5	161.6	-8	38.5	0	0	0	0	110	D481	S479-D481 PolarHBondContact O-N 3Å
480	P	37.8	Very low	28.8	Very low	124 Å²	124	136.8 Å²	136.8	81%	0.805	79%	0.793	S	S	*	*			trans	-93.2	87	-177.8	36	-32.4	0	0	0	113
481	D	30.2	Very low	28.8	Very low	163 Å²	163	138.9 Å²	138.9	87%	0.872	79%	0.792	S	S	*	*			trans	-161.6	112.6	161.7	-105.2	-34.8	0	0	0	112	S479	S479-D481 PolarHBondContact O-N 3Å
482	D	25.6	Very low	28.5	Very low	109 Å²	109	136.9 Å²	136.9	58%	0.583	79%	0.793	S	S	*	*			trans	175.5	100.6	136.1	-177.5	-1	0	0	0	108.6	S484	D482-S484 VanDerWaalsContact C-N 3.29Å; D482-S484 PolarHBondContact O-N 3.22Å; D482-S484 PolarHBondContact OD1-N 2.79Å; D482-S484 VanDerWaalsContact OD1-N 3.17Å; D482-S484 PolarHBondContact OD1-OG 2.97Å
483	A	35	Very low	28.2	Very low	113 Å²	113	139.6 Å²	139.6	93%	0.934	79%	0.79	S	S	*	*			trans	-89.2	35.4	-175.9	0	0	0	0	0	113.6
484	S	33.1	Very low	28.6	Very low	84 Å²	84	139 Å²	139	59%	0.587	78%	0.779	S	S	*	*			trans	-137.5	45.4	-170.5	72.5	0	0	0	0	117.2	D482	D482-S484 VanDerWaalsContact C-N 3.29Å; D482-S484 PolarHBondContact O-N 3.22Å; D482-S484 PolarHBondContact OD1-N 2.79Å; D482-S484 VanDerWaalsContact OD1-N 3.17Å; D482-S484 PolarHBondContact OD1-OG 2.97Å
485	K	25.9	Very low	29.2	Very low	171 Å²	171	139.9 Å²	139.9	74%	0.743	77%	0.771	S	S	*	*			trans	-114.3	87.4	168.5	-73.2	-179.6	-176.5	167.3	0	113.3	F487	K485-F487 PolarHBondContact O-N 3.12Å; K485-F487 VanDerWaalsContact O-N 3.1Å
486	T	24.6	Very low	30.3	Very low	134 Å²	134	138.7 Å²	138.7	82%	0.822	76%	0.764	S	S	*	*			trans	-54.7	109.9	168.1	-46.8	0	0	0	0	110.1	K488	T486-K488 PolarHBondContact O-N 3.13Å
487	F	22.2	Very low	32.1	Very low	187 Å²	187	134.3 Å²	134.3	82%	0.82	73%	0.734	S	S	*	*			trans	-64.6	103.7	173	-88.9	-99.4	0	0	0	109.2	K485 F489	K485-F487 PolarHBondContact O-N 3.12Å; K485-F487 VanDerWaalsContact O-N 3.1Å; F487-F489 PolarHBondContact O-N 3.35Å
488	K	20.8	Very low	34.4	Very low	202 Å²	202	130.9 Å²	130.9	88%	0.878	71%	0.713	S	S	*	*			trans	-65.8	105.5	169.9	-69.7	-170.5	176.4	-171.8	0	108.6	T486	T486-K488 PolarHBondContact O-N 3.13Å
489	F	21.9	Very low	37.3	Very low	190 Å²	190	125.1 Å²	125.1	83%	0.833	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-62.5	131.7	159.6	-72	-94.2	0	0	0	108.1	F487	F487-F489 PolarHBondContact O-N 3.35Å
490	P	23.1	Very low	40.3	Very low	106 Å²	106	124.2 Å²	124.2	69%	0.688	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-65.7	163	161.2	31.3	-33.9	0	0	0	109.6
491	P	25.9	Very low	42.8	Very low	124 Å²	124	119.2 Å²	119.2	81%	0.805	64%	0.635	S	S	*	*	P	Polyproline II helix	trans	-55.8	158.5	-178.4	-26.9	36.2	0	0	0	114.3	D493	P491-D493 VanDerWaalsContact C-N 3.27Å; P491-D493 PolarHBondContact O-N 3.45Å
492	V	28.8	Very low	45.6	Very low	162 Å²	162	114.1 Å²	114.1	98%	0.982	61%	0.607	S	S	*	*			trans	-77.6	77.6	-176.9	-175.2	0	0	0	0	110.1
493	D	28.7	Very low	48.8	Very low	132 Å²	132	114.7 Å²	114.7	71%	0.706	62%	0.617	S	S	*	*			trans	-102.9	157.1	171.8	-139.7	-34.7	0	0	0	112.2	P491 Q495	P491-D493 VanDerWaalsContact C-N 3.27Å; P491-D493 PolarHBondContact O-N 3.45Å; D493-Q495 PolarHBondContact O-N 3.18Å
494	R	37.4	Very low	51.5	Low	187 Å²	187	112.8 Å²	112.8	71%	0.706	61%	0.608	S	S	*	*			trans	-42.2	121.3	-163.5	-63.4	165.3	-171.7	162.5	7.6	112.9	T496	R494-T496 PolarHBondContact O-N 3.06Å
495	Q	42.8	Very low	54.4	Low	125 Å²	125	109.7 Å²	109.7	58%	0.584	59%	0.586	S	S	*	*			trans	-50.4	104.3	175.2	-69.9	179.8	8.3	0	0	111	P458 D493 L497	P458-Q495 HydrophobicContact CB-CB 4.36Å; D493-Q495 PolarHBondContact O-N 3.18Å; Q495-L497 PolarHBondContact O-N 3.42Å; Q495-L497 VanDerWaalsContact O-N 3.12Å
496	T	56.8	Low	57.8	Low	98 Å²	98	104.4 Å²	104.4	60%	0.601	56%	0.564	S	S	*	*			trans	-64.6	114.7	-179.3	42.5	0	0	0	0	109.4	A459 R494	A459-T496 WeakPolarHBondContact CB-O 3.4Å; A459-T496 PolarHBondContact N-O 2.68Å; R494-T496 PolarHBondContact O-N 3.06Å
497	L	70.6	Confident	61.3	Low	31 Å²	31	98.1 Å²	98.1	16%	0.162	53%	0.525	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	112.9	-178.2	-70.5	179.7	0	0	0	109.8	Y381 I456 C457 P458 Q495 F551	Y381-L497 HydrophobicContact CD1-CD1 3.92Å; Y381-L497 HydrophobicContact CD1-CD2 4.3Å; Y381-L497 HydrophobicContact CD2-CD2 3.86Å; Y381-L497 HydrophobicContact CE1-CD1 4.45Å; Y381-L497 HydrophobicContact CE2-CD2 4.29Å; Y381-L497 HydrophobicContact CG-CD1 4.16Å; Y381-L497 HydrophobicContact CG-CD2 3.88Å; I456-L497 HydrophobicContact CG2-CB 3.94Å; I456-L497 HydrophobicContact CG2-CD1 4.16Å; I456-L497 HydrophobicContact CG2-CD2 4.46Å; I456-L497 HydrophobicContact CG2-CG 4.42Å; C457-L497 CarbonylContact O-C 3.57Å; C457-L497 WeakPolarHBondContact O-CA 3.47Å; P458-L497 HydrophobicContact CB-CD2 4.41Å; P458-L497 HydrophobicContact CG-CD2 3.86Å; Q495-L497 PolarHBondContact O-N 3.42Å; Q495-L497 VanDerWaalsContact O-N 3.12Å; L497-F551 HydrophobicContact CB-CE2 3.98Å
498	Q	76.6	Confident	64.9	Low	68 Å²	68	89.2 Å²	89.2	32%	0.318	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	140.8	174.6	-175.1	-176.2	-24.9	0	0	109.8	I456 C457 A459 D462	I456-Q498 WeakPolarHBondContact CA-O 3.46Å; C457-Q498 PolarHBondContact N-O 3.46Å; C457-Q498 PolarHBondContact O-N 3.04Å; A459-Q498 HydrophobicContact CB-CB 4.24Å; D462-Q498 PolarHBondContact OD2-NE2 2.98Å
499	I	89.2	Confident	68.6	Low	19 Å²	19	79.6 Å²	79.6	10%	0.097	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	130	-179.2	-55	173	0	0	0	109	L451 Y455 I456 F551 V555	L451-I499 HydrophobicContact CD1-CD1 4.01Å; L451-I499 HydrophobicContact CD1-CG2 3.75Å; L451-I499 HydrophobicContact CD2-CG2 3.74Å; L451-I499 HydrophobicContact CG-CG2 4.39Å; Y455-I499 CarbonylContact O-C 3.58Å; Y455-I499 WeakPolarHBondContact O-CA 3.48Å; I456-I499 HydrophobicContact CG1-CG1 4.38Å; I499-F551 HydrophobicContact CD1-CD1 4.06Å; I499-F551 HydrophobicContact CD1-CD2 4.39Å; I499-F551 HydrophobicContact CD1-CE1 3.65Å; I499-F551 HydrophobicContact CD1-CE2 4Å; I499-F551 HydrophobicContact CD1-CG 4.42Å; I499-F551 HydrophobicContact CD1-CZ 3.62Å; I499-F551 VanDerWaalsContact CD1-O 3.22Å; I499-F551 WeakPolarHBondContact CD1-O 3.45Å; I499-F551 HydrophobicContact CG1-CE1 4.47Å; I499-F551 HydrophobicContact CG1-CE2 4.24Å; I499-F551 HydrophobicContact CG1-CZ 3.98Å; I499-V555 HydrophobicContact CB-CG2 3.92Å; I499-V555 HydrophobicContact CD1-CG2 3.69Å; I499-V555 HydrophobicContact CG1-CG2 4.38Å; I499-V555 HydrophobicContact CG2-CG2 3.99Å
500	T	89.9	Confident	72.3	Confident	79 Å²	79	70.5 Å²	70.5	49%	0.485	41%	0.405	S	S	.	.			trans	-127.7	90.4	174.2	-57.5	0	0	0	0	108.2	Y455	Y455-T500 WeakPolarHBondContact CB-O 3.11Å; Y455-T500 PolarHBondContact O-N 3.16Å
501	P	89.7	Confident	75.9	Confident	20 Å²	20	65.5 Å²	65.5	13%	0.13	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-71.8	163.7	-175.5	32	-36.1	0	0	0	112	L451 P507 V555 P556	L451-P501 HydrophobicContact CD2-CB 4.15Å; P501-P507 HydrophobicContact CB-CG 3.58Å; P501-P507 HydrophobicContact CG-CG 4.28Å; P501-V555 HydrophobicContact CG-CG1 4.2Å; P501-P556 HydrophobicContact CG-CG 3.85Å
502	L	89.6	Confident	79.3	Confident	55 Å²	55	59.6 Å²	59.6	29%	0.288	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-69.6	130.3	174.9	-173.2	71	0	0	0	109.9	K447 Y455 G504 T505	K447-L502 VanDerWaalsContact CE-CD2 3.43Å; K447-L502 HydrophobicContact CG-CD2 4.47Å; Y455-L502 HydrophobicContact CE2-CB 4.13Å; L502-G504 PolarHBondContact O-N 3.06Å; L502-T505 HydrophobicContact CB-CG2 3.91Å; L502-T505 HydrophobicContact CD2-CG2 3.95Å; L502-T505 HydrophobicContact CG-CG2 4.24Å; L502-T505 PolarHBondContact O-N 2.93Å; L502-T505 VanDerWaalsContact O-N 3.12Å; L502-T505 PolarHBondContact O-OG1 3.44Å
503	P	91.5	Very high	82.4	Confident	121 Å²	121	53.5 Å²	53.5	79%	0.786	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	132.5	178.5	-28.2	36.4	0	0	0	112.7
504	G	91.8	Very high	85.2	Confident	73 Å²	73	47.4 Å²	47.4	75%	0.753	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.4	7.1	-177.9	0	0	0	0	0	115.5	L502	L502-G504 PolarHBondContact O-N 3.06Å
505	T	95.3	Very high	87.4	Confident	19 Å²	19	45.8 Å²	45.8	12%	0.117	26%	0.261	C	S	.	.			trans	-100.8	161.7	165.5	72.7	0	0	0	0	110.7	K447 L502 P507	K447-T505 HydrophobicContact CG-CG2 4.34Å; K447-T505 WeakPolarHBondContact O-CG2 3.45Å; L502-T505 HydrophobicContact CB-CG2 3.91Å; L502-T505 HydrophobicContact CD2-CG2 3.95Å; L502-T505 HydrophobicContact CG-CG2 4.24Å; L502-T505 PolarHBondContact O-N 2.93Å; L502-T505 VanDerWaalsContact O-N 3.12Å; L502-T505 PolarHBondContact O-OG1 3.44Å; T505-P507 WeakPolarHBondContact O-CD 3.43Å
506	H	97.3	Very high	89.3	Confident	61 Å²	61	40.7 Å²	40.7	28%	0.282	24%	0.239	S	C	.	.			trans	-126.2	80.2	-175.7	-52.8	82.8	0	0	0	110.6	D448 L508 R559	D448-H506 CarbonylContact O-C 3.58Å; D448-H506 WeakPolarHBondContact O-CA 3.31Å; D448-H506 PolarHBondContact O-N 2.9Å; D448-H506 VanDerWaalsContact O-O 3.06Å; D448-H506 IonicContact OD1-CE1 2.75Å; D448-H506 IonicContact OD1-CG 3.55Å; D448-H506 PolarHBondContact OD1-N 2.58Å; D448-H506 VanDerWaalsContact OD1-N 3.12Å; D448-H506 IonicContact OD1-ND1 3.61Å; D448-H506 PolarHBondContact OD1-ND1 2.93Å; D448-H506 IonicContact OD2-ND1 3.84Å; H506-L508 PolarHBondContact O-N 3.15Å; H506-R559 HydrophobicContact CB-CG 4.06Å; H506-R559 PolarHBondContact CD2-NH2 3.29Å; H506-R559 PolarHBondContact CE1-NH2 2.77Å; H506-R559 PolarHBondContact ND1-NH2 3.06Å; H506-R559 VanDerWaalsContact ND1-NH2 3.13Å; H506-R559 PolarHBondContact NE2-NH2 3.05Å
507	P	97.6	Very high	90.2	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.006	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-47.6	131.6	-175.1	-30.3	36.7	0	0	0	113	L451 P501 T505 F552 V555 F558 R559	L451-P507 HydrophobicContact CD1-CB 4.39Å; L451-P507 HydrophobicContact CD2-CB 3.83Å; L451-P507 HydrophobicContact CD2-CG 3.75Å; L451-P507 HydrophobicContact CG-CB 4.04Å; L451-P507 HydrophobicContact CG-CG 4.49Å; P501-P507 HydrophobicContact CB-CG 3.58Å; P501-P507 HydrophobicContact CG-CG 4.28Å; T505-P507 WeakPolarHBondContact O-CD 3.43Å; P507-F552 HydrophobicContact CB-CE1 3.94Å; P507-V555 HydrophobicContact CB-CG1 4.14Å; P507-V555 HydrophobicContact CG-CG1 3.9Å; P507-F558 HydrophobicContact CB-CB 4.3Å; P507-F558 CarbonylContact O-C 3.6Å; P507-F558 VanDerWaalsContact O-CA 3.3Å; P507-F558 WeakPolarHBondContact O-CA 3.25Å; P507-F558 VanDerWaalsContact O-CB 3.31Å; P507-F558 WeakPolarHBondContact O-CB 3.41Å; P507-R559 PolarHBondContact O-N 2.89Å
508	L	98.6	Very high	90.2	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	118.4	-177.3	-168.3	68	0	0	0	110.9	H449 H506 V510 L532 Q536 R559 L561 L617 I620	H449-L508 HydrophobicContact CB-CB 3.85Å; H449-L508 PolarHBondContact O-N 2.71Å; H506-L508 PolarHBondContact O-N 3.15Å; L508-V510 HydrophobicContact CD2-CG2 3.97Å; L508-V510 HydrophobicContact CG-CG2 4.04Å; L508-L532 HydrophobicContact CB-CD1 4.45Å; L508-L532 HydrophobicContact CD2-CD1 4.26Å; L508-Q536 PolarHBondContact O-NE2 2.89Å; L508-R559 HydrophobicContact CD1-CB 3.74Å; L508-L561 HydrophobicContact CD1-CB 4.07Å; L508-L561 HydrophobicContact CD2-CB 4.2Å; L508-L561 HydrophobicContact CD2-CD2 4.27Å; L508-L561 HydrophobicContact CG-CB 4.27Å; L508-L617 HydrophobicContact CD2-CD2 3.38Å; L508-I620 HydrophobicContact CD1-CD1 4.43Å; L508-I620 HydrophobicContact CD1-CG2 4.29Å; L508-I620 HydrophobicContact CD2-CD1 3.99Å
509	L	98.5	Very high	89.9	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	122.9	163.8	173.1	60.8	0	0	0	108.8	L511 Y538 G548 L549 F552 F558 R559 V560 L561	L509-L511 HydrophobicContact CD1-CD2 3.96Å; L509-L511 HydrophobicContact CD2-CD1 4.48Å; L509-L511 HydrophobicContact CD2-CD2 4.19Å; L509-L511 HydrophobicContact CD2-CG 4.39Å; L509-L511 HydrophobicContact CG-CD2 4Å; L509-L511 HydrophobicContact CG-CG 4.15Å; L509-Y538 HydrophobicContact CD1-CD2 3.62Å; L509-Y538 HydrophobicContact CD1-CE2 3.84Å; L509-G548 WeakPolarHBondContact CD2-O 3.46Å; L509-L549 HydrophobicContact CD2-CD2 3.81Å; L509-L549 HydrophobicContact CD2-CG 4.28Å; L509-F552 HydrophobicContact CB-CD1 4.07Å; L509-F552 HydrophobicContact CB-CD2 4.16Å; L509-F552 HydrophobicContact CB-CE1 3.97Å; L509-F552 HydrophobicContact CB-CE2 4.09Å; L509-F552 HydrophobicContact CB-CG 4.13Å; L509-F552 HydrophobicContact CB-CZ 3.98Å; L509-F552 HydrophobicContact CD1-CD2 3.88Å; L509-F552 HydrophobicContact CD1-CE2 3.81Å; L509-F552 HydrophobicContact CD1-CZ 4.46Å; L509-F552 HydrophobicContact CD2-CB 4.42Å; L509-F552 HydrophobicContact CD2-CD2 4.36Å; L509-F552 HydrophobicContact CD2-CG 4.37Å; L509-F552 HydrophobicContact CG-CD2 4.34Å; L509-F552 HydrophobicContact CG-CE2 4.46Å; L509-F558 HydrophobicContact CB-CD2 4.2Å; L509-F558 HydrophobicContact CB-CE2 4.23Å; L509-F558 HydrophobicContact CD2-CE2 4.13Å; L509-R559 PolarHBondContact N-O 2.79Å; L509-V560 HydrophobicContact CD2-CG2 4.36Å; L509-V560 CarbonylContact O-C 3.58Å; L509-V560 WeakPolarHBondContact O-CA 3.16Å; L509-L561 PolarHBondContact O-N 2.97Å
510	V	98.6	Very high	89.6	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	118.3	179.8	-174.3	0	0	0	0	110	L508 V512 F528 L532 Q536 V537 Y538 L561	L508-V510 HydrophobicContact CD2-CG2 3.97Å; L508-V510 HydrophobicContact CG-CG2 4.04Å; V510-V512 HydrophobicContact CG1-CG2 3.81Å; V510-F528 HydrophobicContact CG1-CB 4.36Å; V510-F528 HydrophobicContact CG1-CD2 3.6Å; V510-F528 HydrophobicContact CG1-CE2 3.97Å; V510-F528 HydrophobicContact CG1-CG 4.03Å; V510-F528 HydrophobicContact CG2-CG 4.47Å; V510-L532 HydrophobicContact CG2-CD1 3.63Å; V510-Q536 PolarHBondContact N-O 2.84Å; V510-V537 HydrophobicContact CB-CB 4.48Å; V510-V537 HydrophobicContact CB-CG1 4.25Å; V510-V537 HydrophobicContact CB-CG2 4.22Å; V510-V537 HydrophobicContact CG1-CG1 4.32Å; V510-V537 HydrophobicContact CG2-CG2 4.43Å; V510-V537 WeakPolarHBondContact O-CA 3.44Å; V510-Y538 PolarHBondContact O-N 2.89Å; V510-L561 HydrophobicContact CG1-CD2 4.31Å; V510-L561 HydrophobicContact CG2-CB 4.35Å; V510-L561 HydrophobicContact CG2-CD2 4.43Å
511	L	98.4	Very high	89.5	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	119.6	-179.1	-61.5	-177.8	0	0	0	109.3	L509 L540 P545 V560 L561 C563 I572	L509-L511 HydrophobicContact CD1-CD2 3.96Å; L509-L511 HydrophobicContact CD2-CD1 4.48Å; L509-L511 HydrophobicContact CD2-CD2 4.19Å; L509-L511 HydrophobicContact CD2-CG 4.39Å; L509-L511 HydrophobicContact CG-CD2 4Å; L509-L511 HydrophobicContact CG-CG 4.15Å; L511-L540 HydrophobicContact CB-CD2 4.14Å; L511-L540 HydrophobicContact CD2-CD2 4.48Å; L511-P545 HydrophobicContact CD1-CB 4.12Å; L511-V560 HydrophobicContact CD1-CG1 3.93Å; L511-V560 HydrophobicContact CG-CG1 4.3Å; L511-L561 PolarHBondContact N-O 2.95Å; L511-C563 PolarHBondContact O-N 2.86Å; L511-I572 HydrophobicContact CB-CD1 3.81Å; L511-I572 HydrophobicContact CB-CG1 4.49Å; L511-I572 HydrophobicContact CD1-CB 4.5Å; L511-I572 HydrophobicContact CD1-CD1 3.95Å; L511-I572 HydrophobicContact CD1-CG1 3.86Å; L511-I572 HydrophobicContact CD1-CG2 3.85Å
512	V	96.8	Very high	89.4	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	124.4	-171	-168	0	0	0	0	112.5	V510 P514 G521 V524 F525 Y538 T539 L540 C563	V510-V512 HydrophobicContact CG1-CG2 3.81Å; V512-P514 VanDerWaalsContact O-CD 3.25Å; V512-P514 WeakPolarHBondContact O-CD 3.26Å; V512-G521 WeakPolarHBondContact CG1-O 3.47Å; V512-V524 HydrophobicContact CG1-CG1 4.45Å; V512-F525 HydrophobicContact CB-CB 4.28Å; V512-F525 HydrophobicContact CB-CD2 4.37Å; V512-F525 HydrophobicContact CG1-CB 4.09Å; V512-F525 HydrophobicContact CG2-CB 4.35Å; V512-F525 HydrophobicContact CG2-CD2 4.32Å; V512-Y538 PolarHBondContact N-O 2.79Å; V512-T539 CarbonylContact O-C 3.58Å; V512-T539 WeakPolarHBondContact O-CA 3.48Å; V512-L540 PolarHBondContact O-N 2.81Å; V512-C563 HydrophobicContact CB-CB 4.24Å; V512-C563 HydrophobicContact CG1-CB 3.99Å; V512-C563 HydrophobicContact CG2-CB 4.05Å
513	N	93.9	Very high	89.2	Confident	34 Å²	34	50.8 Å²	50.8	18%	0.182	27%	0.27	C	S	.	.			trans	-84.4	107.6	164.7	176.6	-34.8	0	0	0	109	K515 S516 G521 L540 C563 T568	N513-K515 PolarHBondContact O-N 3.38Å; N513-K515 PolarHBondContact OD1-N 2.98Å; N513-S516 PolarHBondContact ND2-OG 3.26Å; N513-S516 WeakPolarHBondContact O-CB 3.44Å; N513-S516 PolarHBondContact O-N 2.91Å; N513-S516 PolarHBondContact OD1-N 3.13Å; N513-S516 VanDerWaalsContact OD1-N 3.12Å; N513-S516 PolarHBondContact OD1-OG 3.05Å; N513-G521 WeakPolarHBondContact O-CA 3.39Å; N513-L540 HydrophobicContact CB-CD1 4.28Å; N513-C563 PolarHBondContact N-O 2.98Å; N513-T568 HydrophobicContact CB-CG2 3.81Å; N513-T568 PolarHBondContact ND2-OG1 3.44Å
514	P	87.9	Confident	89.3	Confident	5 Å²	5	45 Å²	45	3%	0.032	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-30.6	-171.2	-22.2	38.6	0	0	0	113.8	V512 S516 G521 E522 T539 E541	V512-P514 VanDerWaalsContact O-CD 3.25Å; V512-P514 WeakPolarHBondContact O-CD 3.26Å; P514-S516 VanDerWaalsContact C-N 3.26Å; P514-S516 PolarHBondContact O-N 3.02Å; P514-G521 PolarHBondContact O-N 2.83Å; P514-E522 HydrophobicContact CB-CB 3.95Å; P514-E522 PolarHBondContact O-N 2.76Å; P514-E522 VanDerWaalsContact O-N 3.15Å; P514-T539 WeakPolarHBondContact CG-OG1 3.49Å; P514-E541 HydrophobicContact CG-CG 4.19Å; P514-E541 VanDerWaalsContact CG-OE2 3.29Å; P514-E541 WeakPolarHBondContact CG-OE2 3.35Å
515	K	83.6	Confident	89.3	Confident	153 Å²	153	42.3 Å²	42.3	67%	0.665	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	-31.8	176.8	-49.7	-171.8	179.2	174.2	0	112	N513 R519 E541	N513-K515 PolarHBondContact O-N 3.38Å; N513-K515 PolarHBondContact OD1-N 2.98Å; K515-R519 PolarHBondContact O-N 3.08Å; K515-E541 WeakPolarHBondContact CE-OE1 3.48Å; K515-E541 WeakPolarHBondContact CG-OE1 3.2Å
516	S	83.7	Confident	89	Confident	17 Å²	17	46.4 Å²	46.4	12%	0.119	21%	0.214	C	C	.	.	H	α-helix	trans	-58.3	149.9	-175.3	-74.4	0	0	0	0	115	N513 P514 G518 R519 Q520 G521	N513-S516 PolarHBondContact ND2-OG 3.26Å; N513-S516 WeakPolarHBondContact O-CB 3.44Å; N513-S516 PolarHBondContact O-N 2.91Å; N513-S516 PolarHBondContact OD1-N 3.13Å; N513-S516 VanDerWaalsContact OD1-N 3.12Å; N513-S516 PolarHBondContact OD1-OG 3.05Å; P514-S516 VanDerWaalsContact C-N 3.26Å; P514-S516 PolarHBondContact O-N 3.02Å; S516-G518 VanDerWaalsContact C-N 3.31Å; S516-G518 PolarHBondContact O-N 3.5Å; S516-R519 PolarHBondContact O-N 2.78Å; S516-Q520 PolarHBondContact O-N 2.95Å; S516-G521 PolarHBondContact O-N 3.32Å
517	G	75.3	Confident	88.7	Confident	17 Å²	17	46.5 Å²	46.5	18%	0.175	21%	0.213	C	C	.	.	H	α-helix	trans	69.5	20.6	175	0	0	0	0	0	115.7	Q520 L592	G517-Q520 VanDerWaalsContact O-CG 3.31Å; G517-Q520 WeakPolarHBondContact O-CG 3.24Å; G517-Q520 PolarHBondContact O-NE2 2.85Å; G517-L592 WeakPolarHBondContact CA-O 3.45Å; G517-L592 PolarHBondContact N-O 3.06Å
518	G	71	Confident	88.6	Confident	51 Å²	51	46.4 Å²	46.4	53%	0.526	21%	0.213	S	C	.	.	H	α-helix	trans	75	53.3	-173.3	0	0	0	0	0	111.2	S516 Q520	S516-G518 VanDerWaalsContact C-N 3.31Å; S516-G518 PolarHBondContact O-N 3.5Å; G518-Q520 PolarHBondContact O-N 2.89Å
519	R	69.8	Low	88.3	Confident	214 Å²	214	48.3 Å²	48.3	81%	0.808	22%	0.22	S	C	*	.	H	α-helix	trans	60.4	22.3	-173	-51.9	179.6	179.9	-179.9	-2.1	113.9	K515 S516	K515-R519 PolarHBondContact O-N 3.08Å; S516-R519 PolarHBondContact O-N 2.78Å
520	Q	82.1	Confident	87.9	Confident	49 Å²	49	50.2 Å²	50.2	23%	0.229	23%	0.227	C	C	.	.	H	α-helix	trans	-74.7	-30	171.9	-83.4	-172.2	90.7	0	0	112.2	S516 G517 G518 E522 R523 V524 L592	S516-Q520 PolarHBondContact O-N 2.95Å; G517-Q520 VanDerWaalsContact O-CG 3.31Å; G517-Q520 WeakPolarHBondContact O-CG 3.24Å; G517-Q520 PolarHBondContact O-NE2 2.85Å; G518-Q520 PolarHBondContact O-N 2.89Å; Q520-E522 VanDerWaalsContact C-N 3.31Å; Q520-E522 PolarHBondContact O-N 3Å; Q520-R523 CarbonylContact O-C 3.56Å; Q520-R523 WeakPolarHBondContact O-CA 3.24Å; Q520-R523 WeakPolarHBondContact O-CB 3.42Å; Q520-R523 PolarHBondContact O-N 2.89Å; Q520-V524 PolarHBondContact O-N 2.68Å; Q520-L592 HydrophobicContact CB-CD2 4.35Å
521	G	88.9	Confident	87.7	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-54.6	-46.8	176.5	0	0	0	0	0	112.2	V512 N513 P514 S516 R523 V524 F525	V512-G521 WeakPolarHBondContact CG1-O 3.47Å; N513-G521 WeakPolarHBondContact O-CA 3.39Å; P514-G521 PolarHBondContact O-N 2.83Å; S516-G521 PolarHBondContact O-N 3.32Å; G521-R523 PolarHBondContact O-N 2.74Å; G521-V524 CarbonylContact O-C 3.48Å; G521-V524 WeakPolarHBondContact O-CA 3.26Å; G521-V524 WeakPolarHBondContact O-CB 3.46Å; G521-V524 PolarHBondContact O-N 3.27Å; G521-F525 PolarHBondContact O-N 3.25Å
522	E	86.8	Confident	87.6	Confident	49 Å²	49	50.8 Å²	50.8	23%	0.229	23%	0.231	C	C	.	.	H	α-helix	trans	-61	-34.3	176.7	176.4	53.1	-174.3	0	0	112.5	P514 Q520 V524 F525 R526	P514-E522 HydrophobicContact CB-CB 3.95Å; P514-E522 PolarHBondContact O-N 2.76Å; P514-E522 VanDerWaalsContact O-N 3.15Å; Q520-E522 VanDerWaalsContact C-N 3.31Å; Q520-E522 PolarHBondContact O-N 3Å; E522-V524 VanDerWaalsContact C-N 3.34Å; E522-F525 WeakPolarHBondContact OE2-CD1 3.47Å; E522-R526 VanDerWaalsContact CD-NE 3.31Å; E522-R526 WeakPolarHBondContact O-CB 3.49Å; E522-R526 WeakPolarHBondContact O-CD 3.35Å; E522-R526 WeakPolarHBondContact O-CG 3.47Å; E522-R526 PolarHBondContact O-N 2.91Å; E522-R526 IonicContact OE1-CZ 3.71Å; E522-R526 IonicContact OE1-NE 3.15Å; E522-R526 PolarHBondContact OE1-NE 3.33Å; E522-R526 IonicContact OE1-NH2 3.22Å; E522-R526 PolarHBondContact OE1-NH2 3.04Å
523	R	86.5	Confident	87.5	Confident	202 Å²	202	50.8 Å²	50.8	76%	0.762	23%	0.231	S	C	*	.	H	α-helix	trans	-72.9	-26.6	175.2	-157.8	176.7	-172.8	-177	2.9	112.8	Q520 G521	Q520-R523 CarbonylContact O-C 3.56Å; Q520-R523 WeakPolarHBondContact O-CA 3.24Å; Q520-R523 WeakPolarHBondContact O-CB 3.42Å; Q520-R523 PolarHBondContact O-N 2.89Å; G521-R523 PolarHBondContact O-N 2.74Å
524	V	93.4	Very high	87.4	Confident	1 Å²	1	49.8 Å²	49.8	1%	0.006	23%	0.226	C	C	.	.	H	α-helix	trans	-75.8	-49.5	173.6	165.1	0	0	0	0	110.8	V512 Q520 G521 E522 R526 K527 F528 C563 L590 L592 Y608 L613	V512-V524 HydrophobicContact CG1-CG1 4.45Å; Q520-V524 PolarHBondContact O-N 2.68Å; G521-V524 CarbonylContact O-C 3.48Å; G521-V524 WeakPolarHBondContact O-CA 3.26Å; G521-V524 WeakPolarHBondContact O-CB 3.46Å; G521-V524 PolarHBondContact O-N 3.27Å; E522-V524 VanDerWaalsContact C-N 3.34Å; V524-R526 PolarHBondContact O-N 3.11Å; V524-K527 WeakPolarHBondContact O-CA 3.33Å; V524-K527 WeakPolarHBondContact O-CB 3.31Å; V524-K527 PolarHBondContact O-N 2.83Å; V524-F528 HydrophobicContact CG1-CD2 3.48Å; V524-F528 VanDerWaalsContact CG1-CD2 3.48Å; V524-F528 HydrophobicContact CG1-CE2 3.49Å; V524-F528 VanDerWaalsContact CG1-CE2 3.49Å; V524-F528 PolarHBondContact O-N 3.04Å; V524-C563 HydrophobicContact CG1-CB 4.45Å; V524-L590 HydrophobicContact CB-CD2 4.44Å; V524-L590 HydrophobicContact CG1-CD2 3.65Å; V524-L590 HydrophobicContact CG2-CD2 3.94Å; V524-L592 HydrophobicContact CG2-CD2 4.33Å; V524-Y608 HydrophobicContact CG2-CD1 4.26Å; V524-Y608 HydrophobicContact CG2-CE1 3.65Å; V524-L613 HydrophobicContact CG1-CD1 4.23Å
525	F	92.3	Very high	87.5	Confident	15 Å²	15	53 Å²	53	7%	0.066	24%	0.237	C	C	.	.	H	α-helix	trans	-50.3	-52.7	175.3	178.1	-116.1	0	0	0	111.8	V512 G521 E522 K527 F528 R529 V537 T539	V512-F525 HydrophobicContact CB-CB 4.28Å; V512-F525 HydrophobicContact CB-CD2 4.37Å; V512-F525 HydrophobicContact CG1-CB 4.09Å; V512-F525 HydrophobicContact CG2-CB 4.35Å; V512-F525 HydrophobicContact CG2-CD2 4.32Å; G521-F525 PolarHBondContact O-N 3.25Å; E522-F525 WeakPolarHBondContact OE2-CD1 3.47Å; F525-K527 PolarHBondContact O-N 2.7Å; F525-K527 VanDerWaalsContact O-N 3.12Å; F525-F528 PolarHBondContact O-N 2.87Å; F525-R529 HydrophobicContact CE2-CG 4.41Å; F525-R529 PolarHBondContact O-N 2.53Å; F525-V537 HydrophobicContact CD2-CG1 3.8Å; F525-V537 HydrophobicContact CE2-CG1 4.2Å; F525-V537 WeakPolarHBondContact CE2-O 3.48Å; F525-T539 HydrophobicContact CZ-CG2 4.34Å
526	R	87.2	Confident	88	Confident	105 Å²	105	45.7 Å²	45.7	40%	0.396	21%	0.206	S	C	.	.	H	α-helix	trans	-58.1	-23.5	175.3	-68	171.9	-173.9	-160.6	-0.1	115	E522 V524	E522-R526 VanDerWaalsContact CD-NE 3.31Å; E522-R526 WeakPolarHBondContact O-CB 3.49Å; E522-R526 WeakPolarHBondContact O-CD 3.35Å; E522-R526 WeakPolarHBondContact O-CG 3.47Å; E522-R526 PolarHBondContact O-N 2.91Å; E522-R526 IonicContact OE1-CZ 3.71Å; E522-R526 IonicContact OE1-NE 3.15Å; E522-R526 PolarHBondContact OE1-NE 3.33Å; E522-R526 IonicContact OE1-NH2 3.22Å; E522-R526 PolarHBondContact OE1-NH2 3.04Å; V524-R526 PolarHBondContact O-N 3.11Å
527	K	91.8	Very high	88.6	Confident	63 Å²	63	45.1 Å²	45.1	27%	0.274	20%	0.201	S	C	.	.	H	α-helix	trans	-92.9	-39.6	-179.4	-171.3	173.7	169.3	-179.7	0	110.7	V524 F525 Y530 L531 G611 L613	V524-K527 WeakPolarHBondContact O-CA 3.33Å; V524-K527 WeakPolarHBondContact O-CB 3.31Å; V524-K527 PolarHBondContact O-N 2.83Å; F525-K527 PolarHBondContact O-N 2.7Å; F525-K527 VanDerWaalsContact O-N 3.12Å; K527-Y530 PolarHBondContact O-N 3.17Å; K527-L531 HydrophobicContact CG-CD1 4.39Å; K527-L531 WeakPolarHBondContact O-CG 3.36Å; K527-L531 PolarHBondContact O-N 3.05Å; K527-L531 VanDerWaalsContact O-N 3.15Å; K527-G611 PolarHBondContact NZ-O 3.05Å; K527-L613 HydrophobicContact CB-CD1 3.81Å; K527-L613 HydrophobicContact CD-CB 4.43Å; K527-L613 HydrophobicContact CD-CD1 3.62Å; K527-L613 HydrophobicContact CD-CG 3.9Å; K527-L613 HydrophobicContact CG-CD1 3.75Å; K527-L613 HydrophobicContact CG-CG 4.45Å
528	F	95.5	Very high	89.5	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-66.3	-39.5	172.9	-78.3	-56.1	0	0	0	112.7	V510 V524 F525 Y530 L531 L532 V537 L561 L590 L613 L617	V510-F528 HydrophobicContact CG1-CB 4.36Å; V510-F528 HydrophobicContact CG1-CD2 3.6Å; V510-F528 HydrophobicContact CG1-CE2 3.97Å; V510-F528 HydrophobicContact CG1-CG 4.03Å; V510-F528 HydrophobicContact CG2-CG 4.47Å; V524-F528 HydrophobicContact CG1-CD2 3.48Å; V524-F528 VanDerWaalsContact CG1-CD2 3.48Å; V524-F528 HydrophobicContact CG1-CE2 3.49Å; V524-F528 VanDerWaalsContact CG1-CE2 3.49Å; V524-F528 PolarHBondContact O-N 3.04Å; F525-F528 PolarHBondContact O-N 2.87Å; F528-Y530 PolarHBondContact O-N 2.81Å; F528-L531 PolarHBondContact O-N 3.3Å; F528-L531 VanDerWaalsContact O-N 3.14Å; F528-L532 HydrophobicContact CD1-CD1 4.4Å; F528-L532 PolarHBondContact O-N 2.81Å; F528-V537 HydrophobicContact CB-CG1 3.72Å; F528-V537 HydrophobicContact CB-CG2 3.93Å; F528-L561 HydrophobicContact CE1-CD2 4.18Å; F528-L561 HydrophobicContact CE2-CD2 3.8Å; F528-L561 HydrophobicContact CZ-CD2 3.43Å; F528-L561 VanDerWaalsContact CZ-CD2 3.43Å; F528-L590 HydrophobicContact CE2-CD2 4.32Å; F528-L613 HydrophobicContact CD1-CD1 4.19Å; F528-L613 HydrophobicContact CD2-CD1 3.9Å; F528-L613 HydrophobicContact CE1-CB 3.97Å; F528-L613 HydrophobicContact CE1-CD1 4.01Å; F528-L613 HydrophobicContact CE1-CG 4.44Å; F528-L613 HydrophobicContact CE2-CD1 3.74Å; F528-L613 HydrophobicContact CE2-CD2 4.22Å; F528-L613 HydrophobicContact CE2-CG 4.49Å; F528-L613 HydrophobicContact CG-CD1 4.13Å; F528-L613 HydrophobicContact CZ-CB 4.09Å; F528-L613 HydrophobicContact CZ-CD1 3.79Å; F528-L613 HydrophobicContact CZ-CD2 3.96Å; F528-L613 HydrophobicContact CZ-CG 4.16Å; F528-L617 HydrophobicContact CE1-CD1 4.16Å; F528-L617 HydrophobicContact CE1-CD2 3.92Å; F528-L617 HydrophobicContact CE1-CG 4.03Å
529	R	91.5	Very high	90.4	Very high	40 Å²	40	45.2 Å²	45.2	15%	0.151	18%	0.183	C	C	.	.	H	α-helix	trans	-63	3.2	172.5	-71.1	-175.4	83.4	155.1	12.2	115.5	F525 V537	F525-R529 HydrophobicContact CE2-CG 4.41Å; F525-R529 PolarHBondContact O-N 2.53Å; R529-V537 HydrophobicContact CG-CB 3.71Å; R529-V537 HydrophobicContact CG-CG1 3.75Å; R529-V537 HydrophobicContact CG-CG2 4.38Å
530	Y	91.1	Very high	91.4	Very high	39 Å²	39	35.5 Å²	35.5	15%	0.153	15%	0.147	C	C	.	.	H	α-helix	trans	-120.8	-30.6	175.5	163.1	-125.1	0	0	0	112.7	T360 K362 H421 Q426 K527 F528	T360-Y530 VanDerWaalsContact O-CD2 3.26Å; T360-Y530 WeakPolarHBondContact O-CD2 3.28Å; K362-Y530 HydrophobicContact CD-CD2 4.21Å; K362-Y530 HydrophobicContact CD-CE2 4.24Å; K362-Y530 HydrophobicContact CD-CG 4.4Å; K362-Y530 VanDerWaalsContact CE-CE1 3.5Å; K362-Y530 HydrophobicContact CG-CD2 3.87Å; K362-Y530 HydrophobicContact CG-CE1 4.3Å; K362-Y530 HydrophobicContact CG-CE2 3.46Å; K362-Y530 VanDerWaalsContact CG-CE2 3.46Å; K362-Y530 HydrophobicContact CG-CG 4.47Å; H421-Y530 PolarHBondContact CE1-OH 3.33Å; H421-Y530 VanDerWaalsContact CE1-OH 3.3Å; H421-Y530 AromaticContact NE2-CE2 3.55Å; H421-Y530 AromaticContact NE2-CZ 3.54Å; H421-Y530 PolarHBondContact NE2-OH 3.21Å; Q426-Y530 PolarHBondContact NE2-O 2.87Å; Q426-Y530 PolarHBondContact OE1-OH 2.69Å; K527-Y530 PolarHBondContact O-N 3.17Å; F528-Y530 PolarHBondContact O-N 2.81Å
531	L	94.1	Very high	91.4	Very high	10 Å²	10	37 Å²	37	5%	0.052	15%	0.154	C	C	.	.	H	α-helix	trans	-78.6	-46	173	-62.5	178.4	0	0	0	110.9	Q426 L446 I450 K527 F528 L613 M614 L617	Q426-L531 HydrophobicContact CG-CD2 4.06Å; L446-L531 HydrophobicContact CD1-CB 4.21Å; L446-L531 WeakPolarHBondContact CD1-O 3.49Å; I450-L531 WeakPolarHBondContact CD1-O 3.49Å; K527-L531 HydrophobicContact CG-CD1 4.39Å; K527-L531 WeakPolarHBondContact O-CG 3.36Å; K527-L531 PolarHBondContact O-N 3.05Å; K527-L531 VanDerWaalsContact O-N 3.15Å; F528-L531 PolarHBondContact O-N 3.3Å; F528-L531 VanDerWaalsContact O-N 3.14Å; L531-L613 HydrophobicContact CD1-CB 3.95Å; L531-M614 HydrophobicContact CD1-CG 4.4Å; L531-M614 HydrophobicContact CD1-SD 3.91Å; L531-M614 HydrophobicContact CD2-CG 4.45Å; L531-M614 HydrophobicContact CD2-SD 3.7Å; L531-M614 HydrophobicContact CG-SD 4.3Å; L531-L617 HydrophobicContact CB-CD1 4.44Å; L531-L617 HydrophobicContact CD1-CD1 4.17Å
532	L	95.9	Very high	90.5	Very high	3 Å²	3	42.3 Å²	42.3	2%	0.016	18%	0.178	C	C	.	.	S	Bend	trans	-103	169.9	178.8	-58.6	177.2	0	0	0	110.6	H449 I450 L508 V510 F528 Q536 V537 L617	H449-L532 HydrophobicContact CB-CD2 4.11Å; I450-L532 HydrophobicContact CB-CD2 4.06Å; I450-L532 HydrophobicContact CG1-CD2 4.23Å; L508-L532 HydrophobicContact CB-CD1 4.45Å; L508-L532 HydrophobicContact CD2-CD1 4.26Å; V510-L532 HydrophobicContact CG2-CD1 3.63Å; F528-L532 HydrophobicContact CD1-CD1 4.4Å; F528-L532 PolarHBondContact O-N 2.81Å; L532-Q536 HydrophobicContact CB-CB 4.41Å; L532-V537 HydrophobicContact CB-CG2 4.24Å; L532-L617 HydrophobicContact CD1-CD2 4.4Å
533	N	94.6	Very high	89.6	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	19%	0.193	C	C	.	.			trans	-60.9	133.4	171.4	-176.8	-29.3	0	0	0	109.8	T380 W424 L451 R535 Q536	T380-N533 WeakPolarHBondContact CB-OD1 3.35Å; T380-N533 PolarHBondContact O-ND2 2.98Å; W424-N533 HydrophobicContact CH2-CB 4.35Å; W424-N533 HydrophobicContact CZ3-CB 3.8Å; L451-N533 WeakPolarHBondContact O-CB 3.36Å; L451-N533 PolarHBondContact O-ND2 3.44Å; N533-R535 PolarHBondContact O-N 2.91Å; N533-R535 PolarHBondContact OD1-N 2.84Å; N533-Q536 HydrophobicContact CB-CG 4.08Å; N533-Q536 VanDerWaalsContact O-CB 3.3Å; N533-Q536 WeakPolarHBondContact O-CB 3.4Å; N533-Q536 PolarHBondContact O-N 3.29Å
534	P	91.9	Very high	89.6	Confident	13 Å²	13	33.2 Å²	33.2	8%	0.084	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-50.1	-30.3	176.7	-31.2	36.8	0	0	0	114.9	T360 T380 Q536 V537	T360-P534 HydrophobicContact CG2-CG 3.56Å; T380-P534 HydrophobicContact CG2-CB 4.37Å; T380-P534 HydrophobicContact CG2-CG 4.08Å; P534-Q536 PolarHBondContact O-N 3.18Å; P534-V537 PolarHBondContact O-N 3.03Å
535	R	90.1	Very high	89.7	Confident	72 Å²	72	33.2 Å²	33.2	27%	0.272	16%	0.161	S	C	.	.	G	3₁₀ helix	trans	-71.9	-1	175.8	-61.6	-169.4	179.3	-86.3	-10.8	114.7	T380 I456 N533 Y538 F551	T380-R535 PolarHBondContact OG1-NE 2.89Å; I456-R535 HydrophobicContact CD1-CB 4.44Å; N533-R535 PolarHBondContact O-N 2.91Å; N533-R535 PolarHBondContact OD1-N 2.84Å; R535-Y538 WeakPolarHBondContact O-CE2 3.5Å; R535-F551 HydrophobicContact CB-CE1 3.72Å; R535-F551 HydrophobicContact CB-CZ 4.13Å; R535-F551 WeakPolarHBondContact O-CD1 3.44Å; R535-F551 VanDerWaalsContact O-CE1 3.27Å; R535-F551 WeakPolarHBondContact O-CE1 3.32Å
536	Q	95.4	Very high	89.6	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-100.1	-4.4	174.9	-60	-175.6	-108.1	0	0	113.3	H449 L451 L508 V510 L532 N533 P534 F552	H449-Q536 PolarHBondContact O-NE2 2.74Å; L451-Q536 HydrophobicContact CB-CG 4.24Å; L451-Q536 HydrophobicContact CD1-CG 4.18Å; L451-Q536 HydrophobicContact CG-CG 4.35Å; L508-Q536 PolarHBondContact O-NE2 2.89Å; V510-Q536 PolarHBondContact N-O 2.84Å; L532-Q536 HydrophobicContact CB-CB 4.41Å; N533-Q536 HydrophobicContact CB-CG 4.08Å; N533-Q536 VanDerWaalsContact O-CB 3.3Å; N533-Q536 WeakPolarHBondContact O-CB 3.4Å; N533-Q536 PolarHBondContact O-N 3.29Å; P534-Q536 PolarHBondContact O-N 3.18Å; Q536-F552 HydrophobicContact CB-CZ 4.38Å; Q536-F552 HydrophobicContact CG-CZ 4.11Å
537	V	95.3	Very high	89.5	Confident	5 Å²	5	34.3 Å²	34.3	3%	0.03	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	103.1	-161.7	-171.8	0	0	0	0	110.6	V510 F525 F528 R529 L532 P534	V510-V537 HydrophobicContact CB-CB 4.48Å; V510-V537 HydrophobicContact CB-CG1 4.25Å; V510-V537 HydrophobicContact CB-CG2 4.22Å; V510-V537 HydrophobicContact CG1-CG1 4.32Å; V510-V537 HydrophobicContact CG2-CG2 4.43Å; V510-V537 WeakPolarHBondContact O-CA 3.44Å; F525-V537 HydrophobicContact CD2-CG1 3.8Å; F525-V537 HydrophobicContact CE2-CG1 4.2Å; F525-V537 WeakPolarHBondContact CE2-O 3.48Å; F528-V537 HydrophobicContact CB-CG1 3.72Å; F528-V537 HydrophobicContact CB-CG2 3.93Å; R529-V537 HydrophobicContact CG-CB 3.71Å; R529-V537 HydrophobicContact CG-CG1 3.75Å; R529-V537 HydrophobicContact CG-CG2 4.38Å; L532-V537 HydrophobicContact CB-CG2 4.24Å; P534-V537 PolarHBondContact O-N 3.03Å
538	Y	93.6	Very high	89.5	Confident	51 Å²	51	31.3 Å²	31.3	20%	0.2	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	146.4	-172.3	-67.7	-103.8	0	0	0	111.8	L509 V510 V512 R535 N547 F551	L509-Y538 HydrophobicContact CD1-CD2 3.62Å; L509-Y538 HydrophobicContact CD1-CE2 3.84Å; V510-Y538 PolarHBondContact O-N 2.89Å; V512-Y538 PolarHBondContact N-O 2.79Å; R535-Y538 WeakPolarHBondContact O-CE2 3.5Å; Y538-N547 HydrophobicContact CD1-CB 4.13Å; Y538-N547 HydrophobicContact CE1-CB 4.12Å; Y538-N547 WeakPolarHBondContact CE1-O 3.32Å; Y538-F551 WeakPolarHBondContact OH-CB 3.38Å; Y538-F551 WeakPolarHBondContact OH-CD1 3.3Å; Y538-F551 WeakPolarHBondContact OH-CG 3.39Å
539	T	91.5	Very high	89.5	Confident	19 Å²	19	31.3 Å²	31.3	12%	0.117	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	143.3	165.1	175.3	0	0	0	0	109.1	V512 P514 F525 E541 H542	V512-T539 CarbonylContact O-C 3.58Å; V512-T539 WeakPolarHBondContact O-CA 3.48Å; P514-T539 WeakPolarHBondContact CG-OG1 3.49Å; F525-T539 HydrophobicContact CZ-CG2 4.34Å; T539-E541 PolarHBondContact OG1-N 2.83Å; T539-H542 HydrophobicContact CG2-CB 4.34Å
540	L	90.8	Very high	89.4	Confident	9 Å²	9	33.8 Å²	33.8	5%	0.047	18%	0.177	C	C	.	.	S	Bend	trans	-87.3	-4.4	174.4	-62.1	-178.6	0	0	0	113.5	L511 V512 N513 P545 T568 W571 I572	L511-L540 HydrophobicContact CB-CD2 4.14Å; L511-L540 HydrophobicContact CD2-CD2 4.48Å; V512-L540 PolarHBondContact O-N 2.81Å; N513-L540 HydrophobicContact CB-CD1 4.28Å; L540-P545 HydrophobicContact CD2-CB 4.16Å; L540-P545 HydrophobicContact CD2-CG 3.72Å; L540-T568 HydrophobicContact CD1-CG2 3.51Å; L540-W571 HydrophobicContact CB-CH2 4.34Å; L540-W571 HydrophobicContact CB-CZ3 3.84Å; L540-W571 HydrophobicContact CD1-CE3 4.43Å; L540-W571 HydrophobicContact CD1-CZ3 4.39Å; L540-W571 WeakPolarHBondContact O-CH2 3.47Å; L540-I572 HydrophobicContact CD1-CD1 4.12Å; L540-I572 HydrophobicContact CD1-CG1 4.39Å
541	E	81.3	Confident	89.2	Confident	81 Å²	81	33.9 Å²	33.9	38%	0.379	18%	0.179	S	C	.	.	S	Bend	trans	-74.6	-27.9	177.3	-76.6	167.3	159.3	0	0	113.4	P514 K515 T539	P514-E541 HydrophobicContact CG-CG 4.19Å; P514-E541 VanDerWaalsContact CG-OE2 3.29Å; P514-E541 WeakPolarHBondContact CG-OE2 3.35Å; K515-E541 WeakPolarHBondContact CE-OE1 3.48Å; K515-E541 WeakPolarHBondContact CG-OE1 3.2Å; T539-E541 PolarHBondContact OG1-N 2.83Å
542	H	69.6	Low	89.2	Confident	111 Å²	111	33.4 Å²	33.4	51%	0.514	18%	0.176	S	C	.	.	S	Bend	trans	-126.7	102.3	-172	-53.2	91.2	0	0	0	109	T539 G544	T539-H542 HydrophobicContact CG2-CB 4.34Å; H542-G544 VanDerWaalsContact C-N 3.3Å; H542-G544 PolarHBondContact O-N 3.27Å
543	G	67.5	Low	89	Confident	52 Å²	52	37.1 Å²	37.1	54%	0.536	19%	0.193	S	C	.	.	S	Bend	trans	75.8	5.7	-177.5	0	0	0	0	0	116.5
544	G	87.8	Confident	88.8	Confident	8 Å²	8	44 Å²	44	8%	0.082	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	-159.8	169	0	0	0	0	0	115.9	H542 M546	H542-G544 VanDerWaalsContact C-N 3.3Å; H542-G544 PolarHBondContact O-N 3.27Å; G544-M546 VanDerWaalsContact C-N 3.3Å; G544-M546 PolarHBondContact O-N 3.02Å
545	P	94.1	Very high	88.8	Confident	2 Å²	2	43.9 Å²	43.9	1%	0.013	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-30.7	179.7	-24.2	34.5	0	0	0	114.1	L511 L540 N547 G548 L549 W571 I572 C575	L511-P545 HydrophobicContact CD1-CB 4.12Å; L540-P545 HydrophobicContact CD2-CB 4.16Å; L540-P545 HydrophobicContact CD2-CG 3.72Å; P545-N547 PolarHBondContact O-N 2.95Å; P545-G548 PolarHBondContact O-N 2.89Å; P545-G548 VanDerWaalsContact O-N 3.13Å; P545-L549 HydrophobicContact CB-CD1 4.05Å; P545-L549 WeakPolarHBondContact O-CG 3.38Å; P545-L549 PolarHBondContact O-N 3.05Å; P545-L549 VanDerWaalsContact O-N 3.13Å; P545-W571 VanDerWaalsContact CD-CE2 3.49Å; P545-W571 VanDerWaalsContact CD-CZ2 3.42Å; P545-W571 HydrophobicContact CG-CD2 4.03Å; P545-W571 HydrophobicContact CG-CE3 4.47Å; P545-W571 HydrophobicContact CG-CG 4.37Å; P545-W571 HydrophobicContact CG-CZ2 4.33Å; P545-I572 HydrophobicContact CB-CG1 4.37Å; P545-I572 HydrophobicContact CG-CG1 4.04Å; P545-C575 HydrophobicContact CB-CB 3.72Å; P545-C575 HydrophobicContact CG-CB 4.08Å
546	M	90.8	Very high	88.9	Confident	56 Å²	56	43.8 Å²	43.8	28%	0.276	24%	0.238	S	C	.	.	H	α-helix	trans	-59.3	-42.3	-168.1	-110	-66.7	110.2	0	0	113.3	G544 G548 L549 N550 A579	G544-M546 VanDerWaalsContact C-N 3.3Å; G544-M546 PolarHBondContact O-N 3.02Å; M546-G548 PolarHBondContact O-N 3.34Å; M546-L549 HydrophobicContact CE-CB 3.86Å; M546-L549 HydrophobicContact CE-CD1 4.02Å; M546-L549 PolarHBondContact O-N 3.27Å; M546-L549 VanDerWaalsContact O-N 3.15Å; M546-N550 WeakPolarHBondContact O-CB 3.47Å; M546-N550 PolarHBondContact O-N 3.39Å; M546-N550 PolarHBondContact SD-ND2 3.19Å; M546-N550 VanDerWaalsContact SD-ND2 3.42Å; M546-N550 PolarHBondContact SD-OD1 3.5Å; M546-A579 HydrophobicContact CE-CB 3.56Å
547	N	86.4	Confident	88.8	Confident	87 Å²	87	48.8 Å²	48.8	47%	0.465	27%	0.265	S	S	.	.	H	α-helix	trans	-58.9	-32.7	179.1	-75.5	-13.4	0	0	0	113.5	Y538 P545	Y538-N547 HydrophobicContact CD1-CB 4.13Å; Y538-N547 HydrophobicContact CE1-CB 4.12Å; Y538-N547 WeakPolarHBondContact CE1-O 3.32Å; P545-N547 PolarHBondContact O-N 2.95Å
548	G	90.9	Very high	89	Confident	0 Å²	0	49 Å²	49	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-80.5	-40.6	175.2	0	0	0	0	0	112.8	L509 P545 M546 F551 F552	L509-G548 WeakPolarHBondContact CD2-O 3.46Å; P545-G548 PolarHBondContact O-N 2.89Å; P545-G548 VanDerWaalsContact O-N 3.13Å; M546-G548 PolarHBondContact O-N 3.34Å; G548-F551 PolarHBondContact O-N 3.17Å; G548-F552 WeakPolarHBondContact O-CD2 3.46Å; G548-F552 PolarHBondContact O-N 2.98Å
549	L	94.6	Very high	89.2	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-67	-42.7	-179.8	-67.7	169	0	0	0	111.8	L509 P545 M546 F552 H553 V560 C575 I576 F581	L509-L549 HydrophobicContact CD2-CD2 3.81Å; L509-L549 HydrophobicContact CD2-CG 4.28Å; P545-L549 HydrophobicContact CB-CD1 4.05Å; P545-L549 WeakPolarHBondContact O-CG 3.38Å; P545-L549 PolarHBondContact O-N 3.05Å; P545-L549 VanDerWaalsContact O-N 3.13Å; M546-L549 HydrophobicContact CE-CB 3.86Å; M546-L549 HydrophobicContact CE-CD1 4.02Å; M546-L549 PolarHBondContact O-N 3.27Å; M546-L549 VanDerWaalsContact O-N 3.15Å; L549-F552 CarbonylContact O-C 3.53Å; L549-F552 PolarHBondContact O-N 3.07Å; L549-F552 VanDerWaalsContact O-N 3.12Å; L549-H553 PolarHBondContact O-N 2.92Å; L549-V560 HydrophobicContact CD2-CG2 4.4Å; L549-C575 HydrophobicContact CD1-CB 3.78Å; L549-I576 HydrophobicContact CD1-CG1 4.01Å; L549-I576 HydrophobicContact CD2-CD1 4.5Å; L549-I576 HydrophobicContact CD2-CG1 3.86Å; L549-F581 HydrophobicContact CB-CE2 4.37Å; L549-F581 HydrophobicContact CB-CZ 4.12Å; L549-F581 HydrophobicContact CD2-CE2 3.99Å; L549-F581 HydrophobicContact CD2-CZ 3.99Å
550	N	90.4	Very high	89.5	Confident	91 Å²	91	46.8 Å²	46.8	49%	0.487	25%	0.254	S	S	.	.	H	α-helix	trans	-63.9	-40.1	175.9	-73.1	-15.5	0	0	0	112.2	M546 F552 H553	M546-N550 WeakPolarHBondContact O-CB 3.47Å; M546-N550 PolarHBondContact O-N 3.39Å; M546-N550 PolarHBondContact SD-ND2 3.19Å; M546-N550 VanDerWaalsContact SD-ND2 3.42Å; M546-N550 PolarHBondContact SD-OD1 3.5Å; N550-F552 PolarHBondContact O-N 3.48Å; N550-H553 WeakPolarHBondContact O-CB 3.44Å; N550-H553 PolarHBondContact O-N 3.17Å
551	F	87.3	Confident	89.9	Confident	42 Å²	42	46.4 Å²	46.4	18%	0.184	25%	0.252	C	S	.	.	H	α-helix	trans	-66.2	-22.8	175.4	-176.6	-119.5	0	0	0	112.9	I456 L497 I499 R535 Y538 G548	I456-F551 HydrophobicContact CD1-CZ 4.35Å; I456-F551 HydrophobicContact CG2-CZ 4.26Å; L497-F551 HydrophobicContact CB-CE2 3.98Å; I499-F551 HydrophobicContact CD1-CD1 4.06Å; I499-F551 HydrophobicContact CD1-CD2 4.39Å; I499-F551 HydrophobicContact CD1-CE1 3.65Å; I499-F551 HydrophobicContact CD1-CE2 4Å; I499-F551 HydrophobicContact CD1-CG 4.42Å; I499-F551 HydrophobicContact CD1-CZ 3.62Å; I499-F551 VanDerWaalsContact CD1-O 3.22Å; I499-F551 WeakPolarHBondContact CD1-O 3.45Å; I499-F551 HydrophobicContact CG1-CE1 4.47Å; I499-F551 HydrophobicContact CG1-CE2 4.24Å; I499-F551 HydrophobicContact CG1-CZ 3.98Å; R535-F551 HydrophobicContact CB-CE1 3.72Å; R535-F551 HydrophobicContact CB-CZ 4.13Å; R535-F551 WeakPolarHBondContact O-CD1 3.44Å; R535-F551 VanDerWaalsContact O-CE1 3.27Å; R535-F551 WeakPolarHBondContact O-CE1 3.32Å; Y538-F551 WeakPolarHBondContact OH-CB 3.38Å; Y538-F551 WeakPolarHBondContact OH-CD1 3.3Å; Y538-F551 WeakPolarHBondContact OH-CG 3.39Å; G548-F551 PolarHBondContact O-N 3.17Å
552	F	94.3	Very high	90.7	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	4.8	176	-85.6	-110.3	0	0	0	113.9	L451 P507 L509 Q536 G548 L549 N550 D554 V555 F558	L451-F552 HydrophobicContact CD1-CE1 4.17Å; L451-F552 HydrophobicContact CD1-CZ 3.84Å; P507-F552 HydrophobicContact CB-CE1 3.94Å; L509-F552 HydrophobicContact CB-CD1 4.07Å; L509-F552 HydrophobicContact CB-CD2 4.16Å; L509-F552 HydrophobicContact CB-CE1 3.97Å; L509-F552 HydrophobicContact CB-CE2 4.09Å; L509-F552 HydrophobicContact CB-CG 4.13Å; L509-F552 HydrophobicContact CB-CZ 3.98Å; L509-F552 HydrophobicContact CD1-CD2 3.88Å; L509-F552 HydrophobicContact CD1-CE2 3.81Å; L509-F552 HydrophobicContact CD1-CZ 4.46Å; L509-F552 HydrophobicContact CD2-CB 4.42Å; L509-F552 HydrophobicContact CD2-CD2 4.36Å; L509-F552 HydrophobicContact CD2-CG 4.37Å; L509-F552 HydrophobicContact CG-CD2 4.34Å; L509-F552 HydrophobicContact CG-CE2 4.46Å; Q536-F552 HydrophobicContact CB-CZ 4.38Å; Q536-F552 HydrophobicContact CG-CZ 4.11Å; G548-F552 WeakPolarHBondContact O-CD2 3.46Å; G548-F552 PolarHBondContact O-N 2.98Å; L549-F552 CarbonylContact O-C 3.53Å; L549-F552 PolarHBondContact O-N 3.07Å; L549-F552 VanDerWaalsContact O-N 3.12Å; N550-F552 PolarHBondContact O-N 3.48Å; F552-D554 VanDerWaalsContact C-N 3.34Å; F552-D554 PolarHBondContact O-N 3.28Å; F552-V555 HydrophobicContact CB-CG2 4.28Å; F552-V555 HydrophobicContact CD1-CB 4.21Å; F552-V555 HydrophobicContact CD1-CG1 4.34Å; F552-V555 HydrophobicContact CD1-CG2 4.06Å; F552-V555 HydrophobicContact CG-CG2 4.27Å; F552-V555 WeakPolarHBondContact O-CB 3.12Å; F552-V555 PolarHBondContact O-N 3.45Å; F552-F558 HydrophobicContact CB-CD2 4.06Å; F552-F558 HydrophobicContact CB-CE1 4.33Å; F552-F558 HydrophobicContact CB-CE2 3.79Å; F552-F558 HydrophobicContact CB-CG 4.43Å; F552-F558 HydrophobicContact CB-CZ 3.92Å; F552-F558 HydrophobicContact CD1-CB 3.89Å; F552-F558 AromaticContact CD1-CD2 3.47Å; F552-F558 HydrophobicContact CD1-CD2 3.47Å; F552-F558 VanDerWaalsContact CD1-CD2 3.47Å; F552-F558 HydrophobicContact CD1-CE2 4.06Å; F552-F558 AromaticContact CD1-CG 3.76Å; F552-F558 HydrophobicContact CD1-CG 3.76Å; F552-F558 HydrophobicContact CE1-CB 4.35Å; F552-F558 HydrophobicContact CE1-CD2 4.25Å; F552-F558 HydrophobicContact CG-CD2 4.11Å; F552-F558 HydrophobicContact CG-CE2 4.23Å
553	H	91.8	Very high	92.1	Very high	81 Å²	81	37.2 Å²	37.2	38%	0.375	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-48.7	-169.6	-176.9	-87.6	0	0	0	113.3	L549 N550	L549-H553 PolarHBondContact O-N 2.92Å; N550-H553 WeakPolarHBondContact O-CB 3.44Å; N550-H553 PolarHBondContact O-N 3.17Å
554	D	89.3	Confident	93.4	Very high	144 Å²	144	34.8 Å²	34.8	77%	0.77	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.4	9	-176	-53.1	-37.6	0	0	0	113.5	F552 P556	F552-D554 VanDerWaalsContact C-N 3.34Å; F552-D554 PolarHBondContact O-N 3.28Å; D554-P556 WeakPolarHBondContact O-CD 3.44Å
555	V	92.6	Very high	93.6	Very high	10 Å²	10	35 Å²	35	6%	0.061	19%	0.186	C	C	.	.			trans	-83.2	119.7	-176.8	-175.2	0	0	0	0	110.3	I499 P501 P507 F552 F558	I499-V555 HydrophobicContact CB-CG2 3.92Å; I499-V555 HydrophobicContact CD1-CG2 3.69Å; I499-V555 HydrophobicContact CG1-CG2 4.38Å; I499-V555 HydrophobicContact CG2-CG2 3.99Å; P501-V555 HydrophobicContact CG-CG1 4.2Å; P507-V555 HydrophobicContact CB-CG1 4.14Å; P507-V555 HydrophobicContact CG-CG1 3.9Å; F552-V555 HydrophobicContact CB-CG2 4.28Å; F552-V555 HydrophobicContact CD1-CB 4.21Å; F552-V555 HydrophobicContact CD1-CG1 4.34Å; F552-V555 HydrophobicContact CD1-CG2 4.06Å; F552-V555 HydrophobicContact CG-CG2 4.27Å; F552-V555 WeakPolarHBondContact O-CB 3.12Å; F552-V555 PolarHBondContact O-N 3.45Å; V555-F558 HydrophobicContact CB-CB 4.26Å; V555-F558 HydrophobicContact CB-CD1 4.34Å; V555-F558 HydrophobicContact CG1-CB 3.87Å; V555-F558 WeakPolarHBondContact O-CD1 3.36Å
556	P	92.3	Very high	93.4	Very high	71 Å²	71	36 Å²	36	46%	0.461	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	141.6	177	28.2	-35.1	0	0	0	112.1	P501 D554 F558	P501-P556 HydrophobicContact CG-CG 3.85Å; D554-P556 WeakPolarHBondContact O-CD 3.44Å; P556-F558 PolarHBondContact O-N 3.44Å
557	D	93.8	Very high	93.4	Very high	105 Å²	105	35 Å²	35	56%	0.561	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	50	26.4	170	-60.2	-48.5	0	0	0	116.3
558	F	97.6	Very high	93.8	Very high	8 Å²	8	31.5 Å²	31.5	4%	0.035	18%	0.178	C	C	.	.			trans	-67.9	159.4	175.3	88.6	-84.9	0	0	0	112.6	P507 L509 F552 V555 P556 V560 F581 P585 P586	P507-F558 HydrophobicContact CB-CB 4.3Å; P507-F558 CarbonylContact O-C 3.6Å; P507-F558 VanDerWaalsContact O-CA 3.3Å; P507-F558 WeakPolarHBondContact O-CA 3.25Å; P507-F558 VanDerWaalsContact O-CB 3.31Å; P507-F558 WeakPolarHBondContact O-CB 3.41Å; L509-F558 HydrophobicContact CB-CD2 4.2Å; L509-F558 HydrophobicContact CB-CE2 4.23Å; L509-F558 HydrophobicContact CD2-CE2 4.13Å; F552-F558 HydrophobicContact CB-CD2 4.06Å; F552-F558 HydrophobicContact CB-CE1 4.33Å; F552-F558 HydrophobicContact CB-CE2 3.79Å; F552-F558 HydrophobicContact CB-CG 4.43Å; F552-F558 HydrophobicContact CB-CZ 3.92Å; F552-F558 HydrophobicContact CD1-CB 3.89Å; F552-F558 AromaticContact CD1-CD2 3.47Å; F552-F558 HydrophobicContact CD1-CD2 3.47Å; F552-F558 VanDerWaalsContact CD1-CD2 3.47Å; F552-F558 HydrophobicContact CD1-CE2 4.06Å; F552-F558 AromaticContact CD1-CG 3.76Å; F552-F558 HydrophobicContact CD1-CG 3.76Å; F552-F558 HydrophobicContact CE1-CB 4.35Å; F552-F558 HydrophobicContact CE1-CD2 4.25Å; F552-F558 HydrophobicContact CG-CD2 4.11Å; F552-F558 HydrophobicContact CG-CE2 4.23Å; V555-F558 HydrophobicContact CB-CB 4.26Å; V555-F558 HydrophobicContact CB-CD1 4.34Å; V555-F558 HydrophobicContact CG1-CB 3.87Å; V555-F558 WeakPolarHBondContact O-CD1 3.36Å; P556-F558 PolarHBondContact O-N 3.44Å; F558-V560 HydrophobicContact CD2-CG2 4.4Å; F558-V560 HydrophobicContact CE2-CG2 3.78Å; F558-F581 HydrophobicContact CE1-CD1 4.15Å; F558-F581 AromaticContact CE1-CE1 3.54Å; F558-F581 HydrophobicContact CE1-CE1 3.54Å; F558-F581 HydrophobicContact CE1-CZ 4.09Å; F558-F581 HydrophobicContact CZ-CD1 4.47Å; F558-F581 AromaticContact CZ-CE1 3.58Å; F558-F581 HydrophobicContact CZ-CE1 3.58Å; F558-F581 AromaticContact CZ-CZ 3.63Å; F558-F581 HydrophobicContact CZ-CZ 3.63Å; F558-P585 HydrophobicContact CD1-CB 4.15Å; F558-P585 HydrophobicContact CD2-CB 4.13Å; F558-P585 HydrophobicContact CE1-CB 3.78Å; F558-P585 HydrophobicContact CE1-CG 4.06Å; F558-P585 HydrophobicContact CE2-CB 3.75Å; F558-P585 HydrophobicContact CE2-CG 3.94Å; F558-P585 HydrophobicContact CG-CB 4.34Å; F558-P585 HydrophobicContact CZ-CB 3.58Å; F558-P585 HydrophobicContact CZ-CG 3.54Å; F558-P586 WeakPolarHBondContact O-CD 3.17Å
559	R	98.5	Very high	94	Very high	25 Å²	25	31.6 Å²	31.6	9%	0.094	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	154.3	-179.3	-59.2	176.4	-179.3	146.5	-3.2	110.3	D448 H449 H506 P507 L508 L509 P586 L852	D448-R559 IonicContact OD2-CZ 3.73Å; D448-R559 IonicContact OD2-NH1 2.68Å; D448-R559 PolarHBondContact OD2-NH1 3.06Å; D448-R559 IonicContact OD2-NH2 2.69Å; H449-R559 PolarHBondContact CE1-NH1 3.15Å; H506-R559 HydrophobicContact CB-CG 4.06Å; H506-R559 PolarHBondContact CD2-NH2 3.29Å; H506-R559 PolarHBondContact CE1-NH2 2.77Å; H506-R559 PolarHBondContact ND1-NH2 3.06Å; H506-R559 VanDerWaalsContact ND1-NH2 3.13Å; H506-R559 PolarHBondContact NE2-NH2 3.05Å; P507-R559 PolarHBondContact O-N 2.89Å; L508-R559 HydrophobicContact CD1-CB 3.74Å; L509-R559 PolarHBondContact N-O 2.79Å; R559-P586 HydrophobicContact CG-CG 4.1Å; R559-L852 HydrophobicContact CB-CD1 4.34Å; R559-L852 HydrophobicContact CG-CD1 4.3Å
560	V	98.8	Very high	94	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	137.7	175	180	0	0	0	0	110.4	L509 L511 L549 F558 I572 I576 P585 P586 V587 A588	L509-V560 HydrophobicContact CD2-CG2 4.36Å; L509-V560 CarbonylContact O-C 3.58Å; L509-V560 WeakPolarHBondContact O-CA 3.16Å; L511-V560 HydrophobicContact CD1-CG1 3.93Å; L511-V560 HydrophobicContact CG-CG1 4.3Å; L549-V560 HydrophobicContact CD2-CG2 4.4Å; F558-V560 HydrophobicContact CD2-CG2 4.4Å; F558-V560 HydrophobicContact CE2-CG2 3.78Å; V560-I572 HydrophobicContact CG1-CG2 4.11Å; V560-I576 HydrophobicContact CG2-CD1 4.43Å; V560-P585 HydrophobicContact CG2-CB 4.06Å; V560-P585 HydrophobicContact CG2-CG 3.87Å; V560-P586 PolarHBondContact N-O 3.17Å; V560-P586 VanDerWaalsContact N-O 3.12Å; V560-V587 HydrophobicContact CB-CG1 4.36Å; V560-V587 HydrophobicContact CB-CG2 4.24Å; V560-V587 HydrophobicContact CG1-CG1 4.29Å; V560-V587 WeakPolarHBondContact O-CA 3.38Å; V560-A588 PolarHBondContact O-N 3.23Å
561	L	98.8	Very high	94.2	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	104.3	168.6	177.5	58.7	0	0	0	110.5	L508 L509 V510 L511 F528 A588 L590 I616 I620	L508-L561 HydrophobicContact CD1-CB 4.07Å; L508-L561 HydrophobicContact CD2-CB 4.2Å; L508-L561 HydrophobicContact CD2-CD2 4.27Å; L508-L561 HydrophobicContact CG-CB 4.27Å; L509-L561 PolarHBondContact O-N 2.97Å; V510-L561 HydrophobicContact CG1-CD2 4.31Å; V510-L561 HydrophobicContact CG2-CB 4.35Å; V510-L561 HydrophobicContact CG2-CD2 4.43Å; L511-L561 PolarHBondContact N-O 2.95Å; F528-L561 HydrophobicContact CE1-CD2 4.18Å; F528-L561 HydrophobicContact CE2-CD2 3.8Å; F528-L561 HydrophobicContact CZ-CD2 3.43Å; F528-L561 VanDerWaalsContact CZ-CD2 3.43Å; L561-A588 WeakPolarHBondContact CA-O 3.07Å; L561-A588 HydrophobicContact CD1-CB 3.95Å; L561-L590 HydrophobicContact CD1-CB 4.17Å; L561-I616 HydrophobicContact CD2-CG2 4.46Å; L561-I620 HydrophobicContact CB-CD1 4.43Å; L561-I620 HydrophobicContact CD1-CD1 3.99Å; L561-I620 HydrophobicContact CD2-CD1 3.91Å; L561-I620 HydrophobicContact CG-CD1 4.32Å
562	A	98.4	Very high	94.7	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	112	175.7	0	0	0	0	0	111	V569 I572 V587 A588 I589 L590	A562-V569 HydrophobicContact CB-CG2 4.05Å; A562-I572 HydrophobicContact CB-CD1 3.49Å; A562-I572 VanDerWaalsContact CB-CD1 3.49Å; A562-V587 HydrophobicContact CB-CG1 4.04Å; A562-A588 PolarHBondContact N-O 3.46Å; A562-I589 WeakPolarHBondContact O-CA 3.46Å; A562-L590 PolarHBondContact O-N 2.86Å
563	C	97.7	Very high	94.8	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	96	178.2	-56.1	0	0	0	0	110.7	L511 V512 N513 V524 L590 L592	L511-C563 PolarHBondContact O-N 2.86Å; V512-C563 HydrophobicContact CB-CB 4.24Å; V512-C563 HydrophobicContact CG1-CB 3.99Å; V512-C563 HydrophobicContact CG2-CB 4.05Å; N513-C563 PolarHBondContact N-O 2.98Å; V524-C563 HydrophobicContact CG1-CB 4.45Å; C563-L590 HydrophobicContact CB-CB 4.16Å; C563-L590 HydrophobicContact CB-CD2 4.25Å; C563-L592 HydrophobicContact CB-CD1 3.98Å
564	G	94.7	Very high	94.9	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.2	-160.5	-173.9	0	0	0	0	0	113.8	L590 L592 G593	G564-L590 PolarHBondContact N-O 2.9Å; G564-L592 PolarHBondContact O-N 3.4Å; G564-G593 PolarHBondContact O-N 3.04Å
565	G	91.9	Very high	95.3	Very high	12 Å²	12	23 Å²	23	12%	0.124	13%	0.133	C	C	.	.			trans	-96.4	-177	163.7	0	0	0	0	0	111.6	G567 T568 V569	G565-G567 PolarHBondContact O-N 3.21Å; G565-T568 WeakPolarHBondContact O-CA 3.21Å; G565-T568 WeakPolarHBondContact O-CB 3.45Å; G565-T568 PolarHBondContact O-N 3.42Å; G565-V569 PolarHBondContact O-N 2.8Å
566	D	90.9	Very high	95.5	Very high	24 Å²	24	22.7 Å²	22.7	13%	0.128	13%	0.131	C	C	.	.	H	α-helix	trans	-56.5	-48.7	-173.2	-51.4	-92.2	0	0	0	112.8	T568 V569 G570 N596 D597 L598 N654	D566-T568 PolarHBondContact O-N 3.01Å; D566-T568 VanDerWaalsContact O-N 3.17Å; D566-V569 CarbonylContact O-C 3.39Å; D566-V569 WeakPolarHBondContact O-CA 3.37Å; D566-V569 WeakPolarHBondContact O-CB 3.4Å; D566-V569 PolarHBondContact O-N 3.29Å; D566-G570 PolarHBondContact O-N 3.23Å; D566-N596 VanDerWaalsContact OD1-C 3.32Å; D566-N596 WeakPolarHBondContact OD1-CA 3.29Å; D566-N596 WeakPolarHBondContact OD2-CA 3.34Å; D566-N596 PolarHBondContact OD2-N 3.23Å; D566-D597 PolarHBondContact OD1-N 3.21Å; D566-L598 PolarHBondContact OD1-N 2.87Å; D566-N654 PolarHBondContact OD1-ND2 2.95Å
567	G	90.8	Very high	95.5	Very high	36 Å²	36	20.4 Å²	20.4	37%	0.371	12%	0.115	S	C	.	.	H	α-helix	trans	-61.2	-23	173.4	0	0	0	0	0	115	G565 W571	G565-G567 PolarHBondContact O-N 3.21Å; G567-W571 WeakPolarHBondContact O-CB 3.45Å; G567-W571 PolarHBondContact O-N 3.01Å; G567-W571 VanDerWaalsContact O-N 3.07Å
568	T	93.5	Very high	95.5	Very high	13 Å²	13	21.7 Å²	21.7	8%	0.08	12%	0.115	C	C	.	.	H	α-helix	trans	-72.6	-34.6	169.7	-52.6	0	0	0	0	111.5	N513 L540 G565 D566 I572	N513-T568 HydrophobicContact CB-CG2 3.81Å; N513-T568 PolarHBondContact ND2-OG1 3.44Å; L540-T568 HydrophobicContact CD1-CG2 3.51Å; G565-T568 WeakPolarHBondContact O-CA 3.21Å; G565-T568 WeakPolarHBondContact O-CB 3.45Å; G565-T568 PolarHBondContact O-N 3.42Å; D566-T568 PolarHBondContact O-N 3.01Å; D566-T568 VanDerWaalsContact O-N 3.17Å; T568-I572 HydrophobicContact CG2-CD1 4.31Å; T568-I572 WeakPolarHBondContact O-CD1 3.5Å; T568-I572 VanDerWaalsContact O-CG1 3.3Å; T568-I572 WeakPolarHBondContact O-CG1 3.22Å; T568-I572 PolarHBondContact O-N 3.35Å
569	V	96.1	Very high	95.3	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.006	12%	0.117	C	C	.	.	H	α-helix	trans	-70.7	-44.6	174.4	-173.2	0	0	0	0	109.9	A562 G565 D566 W571 I572 L573 I589 L598 M851	A562-V569 HydrophobicContact CB-CG2 4.05Å; G565-V569 PolarHBondContact O-N 2.8Å; D566-V569 CarbonylContact O-C 3.39Å; D566-V569 WeakPolarHBondContact O-CA 3.37Å; D566-V569 WeakPolarHBondContact O-CB 3.4Å; D566-V569 PolarHBondContact O-N 3.29Å; V569-W571 PolarHBondContact O-N 2.71Å; V569-I572 PolarHBondContact O-N 2.93Å; V569-I572 VanDerWaalsContact O-N 3.14Å; V569-L573 HydrophobicContact CG1-CD1 4.16Å; V569-L573 HydrophobicContact CG1-CG 4.41Å; V569-L573 WeakPolarHBondContact O-CG 3.12Å; V569-L573 PolarHBondContact O-N 3.14Å; V569-I589 HydrophobicContact CG1-CD1 4.1Å; V569-I589 HydrophobicContact CG1-CG1 4.24Å; V569-I589 HydrophobicContact CG2-CD1 4.04Å; V569-I589 HydrophobicContact CG2-CG1 4Å; V569-I589 HydrophobicContact CG2-CG2 3.93Å; V569-L598 HydrophobicContact CG1-CD2 4.05Å; V569-M851 HydrophobicContact CG1-CE 4.27Å
570	G	94.9	Very high	94.8	Very high	14 Å²	14	27 Å²	27	14%	0.144	15%	0.147	C	C	.	.	H	α-helix	trans	-55.6	-45.8	174.8	0	0	0	0	0	113	D566 I572 L573 D574	D566-G570 PolarHBondContact O-N 3.23Å; G570-I572 PolarHBondContact O-N 3.45Å; G570-L573 PolarHBondContact O-N 3.5Å; G570-D574 PolarHBondContact O-N 2.98Å
571	W	94.3	Very high	94.5	Very high	110 Å²	110	27.8 Å²	27.8	42%	0.417	15%	0.151	S	C	.	.	H	α-helix	trans	-61.7	-41.6	174.7	-178.1	27	0	0	0	112.9	L540 P545 G567 V569 L573 D574 C575	L540-W571 HydrophobicContact CB-CH2 4.34Å; L540-W571 HydrophobicContact CB-CZ3 3.84Å; L540-W571 HydrophobicContact CD1-CE3 4.43Å; L540-W571 HydrophobicContact CD1-CZ3 4.39Å; L540-W571 WeakPolarHBondContact O-CH2 3.47Å; P545-W571 VanDerWaalsContact CD-CE2 3.49Å; P545-W571 VanDerWaalsContact CD-CZ2 3.42Å; P545-W571 HydrophobicContact CG-CD2 4.03Å; P545-W571 HydrophobicContact CG-CE3 4.47Å; P545-W571 HydrophobicContact CG-CG 4.37Å; P545-W571 HydrophobicContact CG-CZ2 4.33Å; G567-W571 WeakPolarHBondContact O-CB 3.45Å; G567-W571 PolarHBondContact O-N 3.01Å; G567-W571 VanDerWaalsContact O-N 3.07Å; V569-W571 PolarHBondContact O-N 2.71Å; W571-L573 VanDerWaalsContact C-N 3.34Å; W571-L573 PolarHBondContact O-N 3.22Å; W571-D574 PolarHBondContact O-N 3.41Å; W571-C575 PolarHBondContact O-N 2.82Å; W571-C575 PolarHBondContact O-SG 3.23Å
572	I	97.4	Very high	93.9	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-63.7	-40	175.6	-71.2	165.4	0	0	0	111.2	L511 L540 P545 V560 A562 T568 V569 G570 C575 I576	L511-I572 HydrophobicContact CB-CD1 3.81Å; L511-I572 HydrophobicContact CB-CG1 4.49Å; L511-I572 HydrophobicContact CD1-CB 4.5Å; L511-I572 HydrophobicContact CD1-CD1 3.95Å; L511-I572 HydrophobicContact CD1-CG1 3.86Å; L511-I572 HydrophobicContact CD1-CG2 3.85Å; L540-I572 HydrophobicContact CD1-CD1 4.12Å; L540-I572 HydrophobicContact CD1-CG1 4.39Å; P545-I572 HydrophobicContact CB-CG1 4.37Å; P545-I572 HydrophobicContact CG-CG1 4.04Å; V560-I572 HydrophobicContact CG1-CG2 4.11Å; A562-I572 HydrophobicContact CB-CD1 3.49Å; A562-I572 VanDerWaalsContact CB-CD1 3.49Å; T568-I572 HydrophobicContact CG2-CD1 4.31Å; T568-I572 WeakPolarHBondContact O-CD1 3.5Å; T568-I572 VanDerWaalsContact O-CG1 3.3Å; T568-I572 WeakPolarHBondContact O-CG1 3.22Å; T568-I572 PolarHBondContact O-N 3.35Å; V569-I572 PolarHBondContact O-N 2.93Å; V569-I572 VanDerWaalsContact O-N 3.14Å; G570-I572 PolarHBondContact O-N 3.45Å; I572-C575 PolarHBondContact O-N 3.11Å; I572-I576 HydrophobicContact CG2-CD1 3.9Å; I572-I576 VanDerWaalsContact O-CG1 3.31Å; I572-I576 WeakPolarHBondContact O-CG1 3.32Å; I572-I576 PolarHBondContact O-N 3.3Å
573	L	97.2	Very high	93.6	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.01	23%	0.23	C	C	.	.	H	α-helix	trans	-66.9	-41.4	177.9	-68.8	172.7	0	0	0	112.3	V569 G570 W571 I576 D577 V587 V849 M851	V569-L573 HydrophobicContact CG1-CD1 4.16Å; V569-L573 HydrophobicContact CG1-CG 4.41Å; V569-L573 WeakPolarHBondContact O-CG 3.12Å; V569-L573 PolarHBondContact O-N 3.14Å; G570-L573 PolarHBondContact O-N 3.5Å; W571-L573 VanDerWaalsContact C-N 3.34Å; W571-L573 PolarHBondContact O-N 3.22Å; L573-I576 PolarHBondContact O-N 2.91Å; L573-I576 VanDerWaalsContact O-N 3.14Å; L573-D577 PolarHBondContact O-N 2.85Å; L573-V587 HydrophobicContact CD2-CG2 3.92Å; L573-V849 HydrophobicContact CD1-CG2 4.23Å; L573-V849 HydrophobicContact CD2-CB 4.19Å; L573-V849 HydrophobicContact CD2-CG1 4.41Å; L573-V849 HydrophobicContact CD2-CG2 3.93Å; L573-M851 HydrophobicContact CD2-SD 4.14Å
574	D	94.3	Very high	93.5	Very high	40 Å²	40	47.6 Å²	47.6	21%	0.214	24%	0.243	C	C	.	.	H	α-helix	trans	-62.9	-39	172.3	168.4	79.9	0	0	0	112.4	G570 W571 I576 D577 K578	G570-D574 PolarHBondContact O-N 2.98Å; W571-D574 PolarHBondContact O-N 3.41Å; D574-I576 VanDerWaalsContact C-N 3.31Å; D574-I576 PolarHBondContact O-N 3.41Å; D574-D577 PolarHBondContact O-N 3.09Å; D574-K578 WeakPolarHBondContact O-CG 3.25Å; D574-K578 PolarHBondContact O-N 3.28Å; D574-K578 VanDerWaalsContact O-N 3.1Å; D574-K578 WeakPolarHBondContact OD1-CE 3.3Å; D574-K578 IonicContact OD1-NZ 3.67Å; D574-K578 PolarHBondContact OD1-NZ 2.85Å; D574-K578 WeakPolarHBondContact OD2-CE 3.32Å; D574-K578 IonicContact OD2-NZ 2.98Å; D574-K578 PolarHBondContact OD2-NZ 3.19Å
575	C	96	Very high	93.6	Very high	13 Å²	13	47.8 Å²	47.8	9%	0.088	24%	0.244	C	C	.	.	H	α-helix	trans	-68.2	-27.6	171.5	-71.7	0	0	0	0	113.5	P545 L549 W571 I572 A579	P545-C575 HydrophobicContact CB-CB 3.72Å; P545-C575 HydrophobicContact CG-CB 4.08Å; L549-C575 HydrophobicContact CD1-CB 3.78Å; W571-C575 PolarHBondContact O-N 2.82Å; W571-C575 PolarHBondContact O-SG 3.23Å; I572-C575 PolarHBondContact O-N 3.11Å; C575-A579 WeakPolarHBondContact O-CB 3.26Å; C575-A579 PolarHBondContact O-N 3.17Å; C575-A579 VanDerWaalsContact O-N 3.14Å
576	I	96.6	Very high	93.9	Very high	2 Å²	2	48.1 Å²	48.1	1%	0.01	24%	0.244	C	C	.	.	H	α-helix	trans	-73.2	-40.2	172.6	-72.6	164.2	0	0	0	110.8	L549 V560 I572 L573 D574 K578 A579 F581 Y584 P585 V587	L549-I576 HydrophobicContact CD1-CG1 4.01Å; L549-I576 HydrophobicContact CD2-CD1 4.5Å; L549-I576 HydrophobicContact CD2-CG1 3.86Å; V560-I576 HydrophobicContact CG2-CD1 4.43Å; I572-I576 HydrophobicContact CG2-CD1 3.9Å; I572-I576 VanDerWaalsContact O-CG1 3.31Å; I572-I576 WeakPolarHBondContact O-CG1 3.32Å; I572-I576 PolarHBondContact O-N 3.3Å; L573-I576 PolarHBondContact O-N 2.91Å; L573-I576 VanDerWaalsContact O-N 3.14Å; D574-I576 VanDerWaalsContact C-N 3.31Å; D574-I576 PolarHBondContact O-N 3.41Å; I576-K578 VanDerWaalsContact C-N 3.29Å; I576-K578 PolarHBondContact O-N 2.8Å; I576-A579 PolarHBondContact O-N 3.42Å; I576-F581 HydrophobicContact CG2-CD2 4.27Å; I576-Y584 HydrophobicContact CG2-CD1 4.45Å; I576-Y584 HydrophobicContact CG2-CD2 3.85Å; I576-Y584 HydrophobicContact CG2-CE2 4.29Å; I576-Y584 HydrophobicContact CG2-CG 3.94Å; I576-P585 HydrophobicContact CD1-CG 4.24Å; I576-P585 HydrophobicContact CG1-CG 4.49Å; I576-V587 HydrophobicContact CD1-CG2 3.83Å
577	D	93.7	Very high	94.3	Very high	23 Å²	23	47 Å²	47	12%	0.123	24%	0.238	C	C	.	.	H	α-helix	trans	-55.6	-47.5	172	-65.3	-44.2	0	0	0	110.2	L573 D574 A579 R630 N847	L573-D577 PolarHBondContact O-N 2.85Å; D574-D577 PolarHBondContact O-N 3.09Å; D577-A579 VanDerWaalsContact C-N 3.3Å; D577-A579 PolarHBondContact O-N 3.27Å; D577-R630 IonicContact OD1-CZ 2.68Å; D577-R630 IonicContact OD1-NH1 3.92Å; D577-R630 PolarHBondContact OD1-NH1 3.15Å; D577-R630 IonicContact OD2-CZ 2.67Å; D577-R630 VanDerWaalsContact OD2-CZ 3.24Å; D577-R630 IonicContact OD2-NH1 3.24Å; D577-R630 PolarHBondContact OD2-NH1 2.94Å; D577-R630 IonicContact OD2-NH2 2.62Å; D577-R630 PolarHBondContact OD2-NH2 3.04Å; D577-N847 PolarHBondContact OD1-ND2 3.14Å
578	K	94	Very high	94.6	Very high	133 Å²	133	45.3 Å²	45.3	58%	0.578	22%	0.22	S	C	*	.	H	α-helix	trans	-72.9	-16	-177.6	-69.9	166.3	-177.8	166.9	0	114.5	D574 I576 N580	D574-K578 WeakPolarHBondContact O-CG 3.25Å; D574-K578 PolarHBondContact O-N 3.28Å; D574-K578 VanDerWaalsContact O-N 3.1Å; D574-K578 WeakPolarHBondContact OD1-CE 3.3Å; D574-K578 IonicContact OD1-NZ 3.67Å; D574-K578 PolarHBondContact OD1-NZ 2.85Å; D574-K578 WeakPolarHBondContact OD2-CE 3.32Å; D574-K578 IonicContact OD2-NZ 2.98Å; D574-K578 PolarHBondContact OD2-NZ 3.19Å; I576-K578 VanDerWaalsContact C-N 3.29Å; I576-K578 PolarHBondContact O-N 2.8Å; K578-N580 VanDerWaalsContact C-N 3.31Å; K578-N580 PolarHBondContact O-N 3.38Å; K578-N580 PolarHBondContact O-ND2 3.48Å
579	A	92	Very high	94.8	Very high	9 Å²	9	44.9 Å²	44.9	7%	0.074	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-8.4	-179.5	0	0	0	0	0	114.1	M546 C575 I576 D577 F581	M546-A579 HydrophobicContact CE-CB 3.56Å; C575-A579 WeakPolarHBondContact O-CB 3.26Å; C575-A579 PolarHBondContact O-N 3.17Å; C575-A579 VanDerWaalsContact O-N 3.14Å; I576-A579 PolarHBondContact O-N 3.42Å; D577-A579 VanDerWaalsContact C-N 3.3Å; D577-A579 PolarHBondContact O-N 3.27Å; A579-F581 HydrophobicContact CB-CD2 3.47Å; A579-F581 VanDerWaalsContact CB-CD2 3.47Å; A579-F581 HydrophobicContact CB-CE2 3.23Å; A579-F581 HydrophobicContact CB-CG 4.46Å; A579-F581 HydrophobicContact CB-CZ 4.1Å; A579-F581 PolarHBondContact O-N 3.06Å; A579-F581 VanDerWaalsContact O-N 3.13Å
580	N	89.2	Confident	94.9	Very high	136 Å²	136	45 Å²	45	73%	0.727	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	57	25.2	176.4	-59.1	-54.2	0	0	0	115.9	K578 T582	K578-N580 VanDerWaalsContact C-N 3.31Å; K578-N580 PolarHBondContact O-N 3.38Å; K578-N580 PolarHBondContact O-ND2 3.48Å; N580-T582 PolarHBondContact O-N 3.18Å
581	F	91	Very high	94.9	Very high	15 Å²	15	44.5 Å²	44.5	7%	0.066	21%	0.212	C	C	.	.			trans	-54.2	131.3	176.4	-68.7	-81	0	0	0	112.4	L549 F558 I576 A579 R583 Y584	L549-F581 HydrophobicContact CB-CE2 4.37Å; L549-F581 HydrophobicContact CB-CZ 4.12Å; L549-F581 HydrophobicContact CD2-CE2 3.99Å; L549-F581 HydrophobicContact CD2-CZ 3.99Å; F558-F581 HydrophobicContact CE1-CD1 4.15Å; F558-F581 AromaticContact CE1-CE1 3.54Å; F558-F581 HydrophobicContact CE1-CE1 3.54Å; F558-F581 HydrophobicContact CE1-CZ 4.09Å; F558-F581 HydrophobicContact CZ-CD1 4.47Å; F558-F581 AromaticContact CZ-CE1 3.58Å; F558-F581 HydrophobicContact CZ-CE1 3.58Å; F558-F581 AromaticContact CZ-CZ 3.63Å; F558-F581 HydrophobicContact CZ-CZ 3.63Å; I576-F581 HydrophobicContact CG2-CD2 4.27Å; A579-F581 HydrophobicContact CB-CD2 3.47Å; A579-F581 VanDerWaalsContact CB-CD2 3.47Å; A579-F581 HydrophobicContact CB-CE2 3.23Å; A579-F581 HydrophobicContact CB-CG 4.46Å; A579-F581 HydrophobicContact CB-CZ 4.1Å; A579-F581 PolarHBondContact O-N 3.06Å; A579-F581 VanDerWaalsContact O-N 3.13Å; F581-R583 PolarHBondContact O-N 3.37Å; F581-R583 VanDerWaalsContact O-N 3.14Å; F581-Y584 HydrophobicContact CB-CD1 4.33Å
582	T	88	Confident	94.8	Very high	148 Å²	148	39.2 Å²	39.2	91%	0.908	19%	0.192	S	C	*	.	S	Bend	trans	-60	-24.7	173.8	-40	0	0	0	0	113	N580	N580-T582 PolarHBondContact O-N 3.18Å
583	R	90.9	Very high	94.3	Very high	201 Å²	201	39.8 Å²	39.8	76%	0.758	20%	0.198	S	C	*	.	S	Bend	trans	-142.1	123.1	170.1	-67.1	-178.4	178.5	172.8	1	108.7	F581	F581-R583 PolarHBondContact O-N 3.37Å; F581-R583 VanDerWaalsContact O-N 3.14Å
584	Y	95.2	Very high	93.6	Very high	68 Å²	68	41.4 Å²	41.4	27%	0.267	21%	0.208	S	C	.	.	P	Polyproline II helix	trans	-66.6	133.3	-179.3	-74.2	19.6	0	0	0	110.6	I576 F581 V849 P850	I576-Y584 HydrophobicContact CG2-CD1 4.45Å; I576-Y584 HydrophobicContact CG2-CD2 3.85Å; I576-Y584 HydrophobicContact CG2-CE2 4.29Å; I576-Y584 HydrophobicContact CG2-CG 3.94Å; F581-Y584 HydrophobicContact CB-CD1 4.33Å; Y584-V849 HydrophobicContact CD2-CG1 4.09Å; Y584-V849 HydrophobicContact CE2-CG1 4.22Å; Y584-P850 VanDerWaalsContact O-CG 3.28Å; Y584-P850 WeakPolarHBondContact O-CG 3.17Å
585	P	97.3	Very high	92.9	Very high	4 Å²	4	40.7 Å²	40.7	3%	0.026	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-72.4	137.8	177.7	31.5	-36.7	0	0	0	110.3	F558 V560 I576	F558-P585 HydrophobicContact CD1-CB 4.15Å; F558-P585 HydrophobicContact CD2-CB 4.13Å; F558-P585 HydrophobicContact CE1-CB 3.78Å; F558-P585 HydrophobicContact CE1-CG 4.06Å; F558-P585 HydrophobicContact CE2-CB 3.75Å; F558-P585 HydrophobicContact CE2-CG 3.94Å; F558-P585 HydrophobicContact CG-CB 4.34Å; F558-P585 HydrophobicContact CZ-CB 3.58Å; F558-P585 HydrophobicContact CZ-CG 3.54Å; V560-P585 HydrophobicContact CG2-CB 4.06Å; V560-P585 HydrophobicContact CG2-CG 3.87Å; I576-P585 HydrophobicContact CD1-CG 4.24Å; I576-P585 HydrophobicContact CG1-CG 4.49Å
586	P	98.3	Very high	92.7	Very high	19 Å²	19	40.1 Å²	40.1	12%	0.123	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-75.1	134.7	-178	33.3	-37	0	0	0	111.6	F558 R559 V560 K625 P850 L852	F558-P586 WeakPolarHBondContact O-CD 3.17Å; R559-P586 HydrophobicContact CG-CG 4.1Å; V560-P586 PolarHBondContact N-O 3.17Å; V560-P586 VanDerWaalsContact N-O 3.12Å; P586-K625 HydrophobicContact CB-CG 4.35Å; P586-P850 VanDerWaalsContact CA-O 3.31Å; P586-P850 WeakPolarHBondContact CA-O 3.22Å; P586-P850 HydrophobicContact CB-CB 4.08Å; P586-L852 HydrophobicContact CB-CD1 4.47Å; P586-L852 HydrophobicContact CB-CD2 3.66Å; P586-L852 HydrophobicContact CB-CG 3.86Å; P586-L852 HydrophobicContact CG-CD1 4.47Å; P586-L852 HydrophobicContact CG-CD2 3.99Å; P586-L852 HydrophobicContact CG-CG 4.33Å
587	V	98.8	Very high	92.5	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.006	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	123	-171.1	-169.9	0	0	0	0	112.7	V560 A562 L573 I576 P850 M851 L852	V560-V587 HydrophobicContact CB-CG1 4.36Å; V560-V587 HydrophobicContact CB-CG2 4.24Å; V560-V587 HydrophobicContact CG1-CG1 4.29Å; V560-V587 WeakPolarHBondContact O-CA 3.38Å; A562-V587 HydrophobicContact CB-CG1 4.04Å; L573-V587 HydrophobicContact CD2-CG2 3.92Å; I576-V587 HydrophobicContact CD1-CG2 3.83Å; V587-P850 PolarHBondContact N-O 2.91Å; V587-P850 VanDerWaalsContact N-O 3.09Å; V587-M851 HydrophobicContact CB-CE 3.97Å; V587-M851 HydrophobicContact CB-SD 3.9Å; V587-M851 HydrophobicContact CG1-CE 4.32Å; V587-M851 HydrophobicContact CG2-SD 4.4Å; V587-L852 PolarHBondContact O-N 2.83Å
588	A	98.6	Very high	92.6	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	156.2	164.6	0	0	0	0	0	111.2	V560 L561 A562 W604 I620 L852	V560-A588 PolarHBondContact O-N 3.23Å; L561-A588 WeakPolarHBondContact CA-O 3.07Å; L561-A588 HydrophobicContact CD1-CB 3.95Å; A562-A588 PolarHBondContact N-O 3.46Å; A588-W604 HydrophobicContact CB-CH2 4.24Å; A588-W604 HydrophobicContact CB-CZ2 3.69Å; A588-I620 HydrophobicContact CB-CD1 4.17Å; A588-I620 HydrophobicContact CB-CG1 3.93Å; A588-L852 HydrophobicContact CB-CB 4.02Å; A588-L852 HydrophobicContact CB-CD1 4Å
589	I	98.1	Very high	92.6	Very high	4 Å²	4	33 Å²	33	2%	0.021	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	131	-177.8	-53.2	170.3	0	0	0	110.7	A562 V569 P591 L598 A599 L602 W604 M851	A562-I589 WeakPolarHBondContact O-CA 3.46Å; V569-I589 HydrophobicContact CG1-CD1 4.1Å; V569-I589 HydrophobicContact CG1-CG1 4.24Å; V569-I589 HydrophobicContact CG2-CD1 4.04Å; V569-I589 HydrophobicContact CG2-CG1 4Å; V569-I589 HydrophobicContact CG2-CG2 3.93Å; I589-P591 WeakPolarHBondContact O-CD 3.37Å; I589-L598 HydrophobicContact CD1-CB 4.15Å; I589-L598 HydrophobicContact CD1-CD2 3.96Å; I589-L598 HydrophobicContact CD1-CG 3.78Å; I589-A599 HydrophobicContact CB-CB 4.21Å; I589-A599 HydrophobicContact CD1-CB 4.36Å; I589-A599 HydrophobicContact CG2-CB 3.85Å; I589-L602 HydrophobicContact CD1-CD1 3.9Å; I589-W604 HydrophobicContact CB-CG 4.47Å; I589-W604 WeakPolarHBondContact O-CB 3.36Å; I589-M851 HydrophobicContact CD1-CE 4.11Å; I589-M851 HydrophobicContact CG1-CE 4.36Å
590	L	97.5	Very high	92.7	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.01	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	106.1	161.4	-175.2	73.3	0	0	0	109	V524 F528 L561 A562 C563 G564 L592 Y608 L613 I616	V524-L590 HydrophobicContact CB-CD2 4.44Å; V524-L590 HydrophobicContact CG1-CD2 3.65Å; V524-L590 HydrophobicContact CG2-CD2 3.94Å; F528-L590 HydrophobicContact CE2-CD2 4.32Å; L561-L590 HydrophobicContact CD1-CB 4.17Å; A562-L590 PolarHBondContact O-N 2.86Å; C563-L590 HydrophobicContact CB-CB 4.16Å; C563-L590 HydrophobicContact CB-CD2 4.25Å; G564-L590 PolarHBondContact N-O 2.9Å; L590-L592 HydrophobicContact CD2-CD2 4.36Å; L590-L592 PolarHBondContact O-N 3Å; L590-Y608 HydrophobicContact CD1-CD2 3.79Å; L590-Y608 HydrophobicContact CD1-CE2 4.37Å; L590-Y608 HydrophobicContact CD1-CG 4.06Å; L590-Y608 HydrophobicContact CG-CG 4.42Å; L590-L613 HydrophobicContact CD1-CD2 4.41Å; L590-L613 HydrophobicContact CD2-CD2 4.1Å; L590-I616 HydrophobicContact CD1-CD1 4.05Å; L590-I616 HydrophobicContact CD1-CG1 3.93Å; L590-I616 HydrophobicContact CD1-CG2 4.22Å
591	P	95.4	Very high	92.9	Very high	4 Å²	4	29.1 Å²	29.1	3%	0.026	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	99.2	-170	27.4	-35.4	0	0	0	112.4	I589 N596 A599 G605 G607 Y608	I589-P591 WeakPolarHBondContact O-CD 3.37Å; P591-N596 HydrophobicContact CB-CB 3.62Å; P591-A599 HydrophobicContact CB-CB 3.82Å; P591-A599 HydrophobicContact CG-CB 4.32Å; P591-G605 WeakPolarHBondContact CG-O 3.4Å; P591-G607 CarbonylContact O-C 3.57Å; P591-G607 WeakPolarHBondContact O-CA 3.46Å; P591-Y608 WeakPolarHBondContact O-CB 3.49Å; P591-Y608 PolarHBondContact O-N 3.45Å
592	L	92.1	Very high	93.1	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.147	C	C	.	.			trans	-103.5	-15.6	176.4	-61.7	179.9	0	0	0	113.2	G517 Q520 V524 C563 G564 L590 Y608	G517-L592 WeakPolarHBondContact CA-O 3.45Å; G517-L592 PolarHBondContact N-O 3.06Å; Q520-L592 HydrophobicContact CB-CD2 4.35Å; V524-L592 HydrophobicContact CG2-CD2 4.33Å; C563-L592 HydrophobicContact CB-CD1 3.98Å; G564-L592 PolarHBondContact O-N 3.4Å; L590-L592 HydrophobicContact CD2-CD2 4.36Å; L590-L592 PolarHBondContact O-N 3Å; L592-Y608 HydrophobicContact CD2-CD1 3.75Å; L592-Y608 HydrophobicContact CD2-CG 4.32Å
593	G	85.9	Confident	93.4	Very high	12 Å²	12	25.3 Å²	25.3	12%	0.124	12%	0.122	C	C	.	.	S	Bend	trans	-69.4	-169.5	177.5	0	0	0	0	0	114.8	G564 N596 R682	G564-G593 PolarHBondContact O-N 3.04Å; G593-N596 VanDerWaalsContact C-ND2 3.32Å; G593-N596 WeakPolarHBondContact CA-OD1 3.34Å; G593-N596 PolarHBondContact N-OD1 3.29Å; G593-N596 PolarHBondContact O-ND2 3.43Å; G593-R682 WeakPolarHBondContact O-CD 3.44Å
594	T	82.2	Confident	93.5	Very high	35 Å²	35	17.1 Å²	17.1	22%	0.215	9%	0.091	C	C	.	.	S	Bend	trans	-99.7	-38.7	174.9	-59.1	0	0	0	0	112.8	R682 N685 K686	T594-R682 HydrophobicContact CG2-CB 4.39Å; T594-N685 HydrophobicContact CG2-CB 3.78Å; T594-K686 HydrophobicContact CG2-CG 3.94Å
595	G	81.3	Confident	93.4	Very high	25 Å²	25	14.6 Å²	14.6	26%	0.258	9%	0.086	S	C	.	.			trans	-65.6	-85.2	167.8	0	0	0	0	0	109.6	R600	G595-R600 VanDerWaalsContact O-CZ 3.24Å; G595-R600 PolarHBondContact O-NH1 2.99Å; G595-R600 PolarHBondContact O-NH2 2.89Å
596	N	90.7	Very high	92.9	Very high	2 Å²	2	15.9 Å²	15.9	1%	0.011	10%	0.1	C	C	.	.			trans	67.6	33.8	-175.1	-48.7	-52.6	0	0	0	113.4	D566 P591 G593 A599 R600 G606	D566-N596 VanDerWaalsContact OD1-C 3.32Å; D566-N596 WeakPolarHBondContact OD1-CA 3.29Å; D566-N596 WeakPolarHBondContact OD2-CA 3.34Å; D566-N596 PolarHBondContact OD2-N 3.23Å; P591-N596 HydrophobicContact CB-CB 3.62Å; G593-N596 VanDerWaalsContact C-ND2 3.32Å; G593-N596 WeakPolarHBondContact CA-OD1 3.34Å; G593-N596 PolarHBondContact N-OD1 3.29Å; G593-N596 PolarHBondContact O-ND2 3.43Å; N596-A599 HydrophobicContact CB-CB 4.12Å; N596-A599 WeakPolarHBondContact O-CB 3.42Å; N596-A599 PolarHBondContact O-N 2.78Å; N596-R600 PolarHBondContact O-N 2.76Å; N596-R600 PolarHBondContact O-NH1 3Å; N596-G606 PolarHBondContact ND2-O 3.01Å
597	D	92.8	Very high	92.4	Very high	5 Å²	5	16.1 Å²	16.1	3%	0.027	11%	0.106	C	C	.	.	H	α-helix	trans	-69.1	-42.1	-169.5	-79.7	-72.4	0	0	0	112.5	D566 A599 R600 C601 I733 S735 M736 H737 G738 G739	D566-D597 PolarHBondContact OD1-N 3.21Å; D597-A599 PolarHBondContact O-N 2.89Å; D597-R600 WeakPolarHBondContact O-CB 3.44Å; D597-R600 PolarHBondContact O-N 2.55Å; D597-C601 PolarHBondContact O-N 3.28Å; D597-I733 HydrophobicContact CB-CD1 4.22Å; D597-S735 WeakPolarHBondContact CB-O 3.35Å; D597-S735 PolarHBondContact OD1-OG 3.38Å; D597-M736 VanDerWaalsContact OD1-C 3.22Å; D597-M736 WeakPolarHBondContact OD1-CA 3.5Å; D597-M736 PolarHBondContact OD1-N 3.26Å; D597-H737 PolarHBondContact OD2-N 2.99Å; D597-G738 VanDerWaalsContact CG-N 3.29Å; D597-G738 WeakPolarHBondContact OD1-CA 3.26Å; D597-G738 PolarHBondContact OD1-N 2.91Å; D597-G738 WeakPolarHBondContact OD2-CA 3.41Å; D597-G738 PolarHBondContact OD2-N 3.04Å; D597-G739 PolarHBondContact OD1-N 3.31Å
598	L	94.9	Very high	92	Very high	3 Å²	3	17.2 Å²	17.2	2%	0.016	11%	0.11	C	C	.	.	H	α-helix	trans	-59.7	-35.6	172.1	-171.6	56.1	0	0	0	111.8	D566 V569 I589 R600 C601 L602 L628 N654 I733 M851	D566-L598 PolarHBondContact OD1-N 2.87Å; V569-L598 HydrophobicContact CG1-CD2 4.05Å; I589-L598 HydrophobicContact CD1-CB 4.15Å; I589-L598 HydrophobicContact CD1-CD2 3.96Å; I589-L598 HydrophobicContact CD1-CG 3.78Å; L598-R600 VanDerWaalsContact C-N 3.29Å; L598-R600 PolarHBondContact O-N 3.4Å; L598-C601 PolarHBondContact O-N 2.89Å; L598-L602 HydrophobicContact CD1-CD1 4.17Å; L598-L602 HydrophobicContact CD1-CG 4.48Å; L598-L602 HydrophobicContact CG-CD1 4.06Å; L598-L602 WeakPolarHBondContact O-CB 3.44Å; L598-L602 WeakPolarHBondContact O-CG 3.44Å; L598-L602 PolarHBondContact O-N 3.12Å; L598-L628 HydrophobicContact CD1-CD1 4.06Å; L598-L628 HydrophobicContact CD1-CD2 3.88Å; L598-L628 HydrophobicContact CD2-CD2 3.98Å; L598-N654 WeakPolarHBondContact CB-OD1 3.32Å; L598-I733 HydrophobicContact CB-CD1 4.27Å; L598-I733 HydrophobicContact CD1-CD1 4.34Å; L598-I733 HydrophobicContact CD1-CG2 4.16Å; L598-M851 HydrophobicContact CD2-CE 4.18Å
599	A	95.4	Very high	91.3	Very high	1 Å²	1	25 Å²	25	1%	0.008	15%	0.146	C	C	.	.	H	α-helix	trans	-69.9	-20.9	176.6	0	0	0	0	0	113.5	I589 P591 N596 D597 H603 W604 G605	I589-A599 HydrophobicContact CB-CB 4.21Å; I589-A599 HydrophobicContact CD1-CB 4.36Å; I589-A599 HydrophobicContact CG2-CB 3.85Å; P591-A599 HydrophobicContact CB-CB 3.82Å; P591-A599 HydrophobicContact CG-CB 4.32Å; N596-A599 HydrophobicContact CB-CB 4.12Å; N596-A599 WeakPolarHBondContact O-CB 3.42Å; N596-A599 PolarHBondContact O-N 2.78Å; D597-A599 PolarHBondContact O-N 2.89Å; A599-H603 PolarHBondContact O-N 3.38Å; A599-W604 HydrophobicContact CB-CB 4.2Å; A599-W604 CarbonylContact O-C 3.55Å; A599-W604 WeakPolarHBondContact O-CA 3.14Å; A599-W604 WeakPolarHBondContact O-CB 3.42Å; A599-W604 PolarHBondContact O-N 3.39Å; A599-G605 PolarHBondContact O-N 3.25Å
600	R	93.1	Very high	90.6	Very high	47 Å²	47	27 Å²	27	18%	0.177	17%	0.168	C	C	.	.	H	α-helix	trans	-77.8	-46.9	170.2	-76.5	172.9	-166.8	71.6	-11.5	111.5	G595 N596 D597 L598 L602 H603 S735 G738 G739	G595-R600 VanDerWaalsContact O-CZ 3.24Å; G595-R600 PolarHBondContact O-NH1 2.99Å; G595-R600 PolarHBondContact O-NH2 2.89Å; N596-R600 PolarHBondContact O-N 2.76Å; N596-R600 PolarHBondContact O-NH1 3Å; D597-R600 WeakPolarHBondContact O-CB 3.44Å; D597-R600 PolarHBondContact O-N 2.55Å; L598-R600 VanDerWaalsContact C-N 3.29Å; L598-R600 PolarHBondContact O-N 3.4Å; R600-L602 PolarHBondContact O-N 2.84Å; R600-H603 WeakPolarHBondContact O-CA 3.4Å; R600-H603 PolarHBondContact O-N 2.81Å; R600-S735 WeakPolarHBondContact CD-OG 3.31Å; R600-G738 VanDerWaalsContact NE-C 3.28Å; R600-G738 PolarHBondContact NE-O 3.47Å; R600-G738 PolarHBondContact NH2-O 3.46Å; R600-G739 VanDerWaalsContact CD-CA 3.4Å
601	C	93.1	Very high	90.1	Very high	15 Å²	15	28.8 Å²	28.8	10%	0.101	19%	0.187	C	C	.	.	H	α-helix	trans	-56.9	-39.4	176	-63.2	0	0	0	0	111.4	D597 L598 H603 S735 F781	D597-C601 PolarHBondContact O-N 3.28Å; L598-C601 PolarHBondContact O-N 2.89Å; C601-H603 VanDerWaalsContact C-N 3.29Å; C601-H603 PolarHBondContact O-N 3.41Å; C601-S735 WeakPolarHBondContact SG-CB 3.05Å; C601-F781 HydrophobicContact CB-CE1 4.28Å
602	L	95	Very high	89.8	Confident	1 Å²	1	32.7 Å²	32.7	1%	0.005	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	18.7	175.2	-62.3	173.8	0	0	0	114.1	I589 L598 R600 W604 V626 F781 M851 M853 G854	I589-L602 HydrophobicContact CD1-CD1 3.9Å; L598-L602 HydrophobicContact CD1-CD1 4.17Å; L598-L602 HydrophobicContact CD1-CG 4.48Å; L598-L602 HydrophobicContact CG-CD1 4.06Å; L598-L602 WeakPolarHBondContact O-CB 3.44Å; L598-L602 WeakPolarHBondContact O-CG 3.44Å; L598-L602 PolarHBondContact O-N 3.12Å; R600-L602 PolarHBondContact O-N 2.84Å; L602-W604 VanDerWaalsContact O-CD1 3.23Å; L602-W604 PolarHBondContact O-N 2.93Å; L602-W604 PolarHBondContact O-NE1 3.15Å; L602-V626 HydrophobicContact CD2-CG2 3.63Å; L602-F781 HydrophobicContact CD2-CE2 4.3Å; L602-F781 HydrophobicContact CD2-CZ 4.19Å; L602-M851 HydrophobicContact CD1-CB 3.77Å; L602-M851 HydrophobicContact CD1-CE 3.55Å; L602-M851 HydrophobicContact CD1-CG 4.11Å; L602-M851 HydrophobicContact CD2-CB 3.93Å; L602-M853 HydrophobicContact CD2-CB 4.26Å; L602-G854 PolarHBondContact O-N 3.34Å
603	H	94.4	Very high	90	Very high	82 Å²	82	32.7 Å²	32.7	38%	0.38	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	58	6.1	175.6	-59.4	141.8	0	0	0	118.1	A599 R600 C601 G605 M853 G854 Q857	A599-H603 PolarHBondContact O-N 3.38Å; R600-H603 WeakPolarHBondContact O-CA 3.4Å; R600-H603 PolarHBondContact O-N 2.81Å; C601-H603 VanDerWaalsContact C-N 3.29Å; C601-H603 PolarHBondContact O-N 3.41Å; H603-G605 PolarHBondContact O-N 2.76Å; H603-M853 HydrophobicContact CB-CG 4.39Å; H603-M853 VanDerWaalsContact CE1-SD 3.56Å; H603-M853 WeakPolarHBondContact ND1-CG 3.45Å; H603-M853 PolarHBondContact ND1-SD 2.79Å; H603-M853 VanDerWaalsContact ND1-SD 3.38Å; H603-G854 WeakPolarHBondContact CB-O 3.31Å; H603-Q857 PolarHBondContact O-NE2 2.97Å
604	W	94.6	Very high	90.3	Very high	29 Å²	29	34.3 Å²	34.3	11%	0.11	21%	0.212	C	C	.	.	S	Bend	trans	-69.1	-19.3	172.1	-60.1	108.2	0	0	0	113.5	A588 I589 A599 L602 N619 I620 L852	A588-W604 HydrophobicContact CB-CH2 4.24Å; A588-W604 HydrophobicContact CB-CZ2 3.69Å; I589-W604 HydrophobicContact CB-CG 4.47Å; I589-W604 WeakPolarHBondContact O-CB 3.36Å; A599-W604 HydrophobicContact CB-CB 4.2Å; A599-W604 CarbonylContact O-C 3.55Å; A599-W604 WeakPolarHBondContact O-CA 3.14Å; A599-W604 WeakPolarHBondContact O-CB 3.42Å; A599-W604 PolarHBondContact O-N 3.39Å; L602-W604 VanDerWaalsContact O-CD1 3.23Å; L602-W604 PolarHBondContact O-N 2.93Å; L602-W604 PolarHBondContact O-NE1 3.15Å; W604-N619 HydrophobicContact CH2-CB 4.22Å; W604-N619 HydrophobicContact CZ3-CB 3.73Å; W604-I620 HydrophobicContact CH2-CB 4.42Å; W604-I620 HydrophobicContact CH2-CG1 3.6Å; W604-I620 HydrophobicContact CZ2-CG1 4.37Å; W604-I620 HydrophobicContact CZ3-CG1 4.1Å; W604-L852 HydrophobicContact CZ2-CB 4.25Å; W604-L852 PolarHBondContact NE1-O 3.03Å
605	G	91.1	Very high	90.9	Very high	15 Å²	15	36.2 Å²	36.2	16%	0.155	22%	0.224	C	C	.	.			trans	96.4	174.9	170	0	0	0	0	0	114.6	P591 A599 H603 G607	P591-G605 WeakPolarHBondContact CG-O 3.4Å; A599-G605 PolarHBondContact O-N 3.25Å; H603-G605 PolarHBondContact O-N 2.76Å; G605-G607 VanDerWaalsContact C-N 3.31Å; G605-G607 PolarHBondContact O-N 3.49Å
606	G	86.8	Confident	91.6	Very high	32 Å²	32	36.4 Å²	36.4	33%	0.33	22%	0.219	S	C	.	.	S	Bend	trans	-78.4	-4.8	-170	0	0	0	0	0	116.7	N596	N596-G606 PolarHBondContact ND2-O 3.01Å
607	G	89.1	Confident	91.9	Very high	24 Å²	24	36.4 Å²	36.4	25%	0.247	22%	0.219	C	C	.	.			trans	165.2	136.7	179.3	0	0	0	0	0	113.3	P591 G605	P591-G607 CarbonylContact O-C 3.57Å; P591-G607 WeakPolarHBondContact O-CA 3.46Å; G605-G607 VanDerWaalsContact C-N 3.31Å; G605-G607 PolarHBondContact O-N 3.49Å
608	Y	89.6	Confident	92	Very high	24 Å²	24	41.7 Å²	41.7	9%	0.094	24%	0.242	C	C	.	.			trans	-75.2	142.7	172.6	172.6	-104.7	0	0	0	111.1	V524 L590 P591 L592 G611 L613 R682	V524-Y608 HydrophobicContact CG2-CD1 4.26Å; V524-Y608 HydrophobicContact CG2-CE1 3.65Å; L590-Y608 HydrophobicContact CD1-CD2 3.79Å; L590-Y608 HydrophobicContact CD1-CE2 4.37Å; L590-Y608 HydrophobicContact CD1-CG 4.06Å; L590-Y608 HydrophobicContact CG-CG 4.42Å; P591-Y608 WeakPolarHBondContact O-CB 3.49Å; P591-Y608 PolarHBondContact O-N 3.45Å; L592-Y608 HydrophobicContact CD2-CD1 3.75Å; L592-Y608 HydrophobicContact CD2-CG 4.32Å; Y608-G611 VanDerWaalsContact CE2-N 3.35Å; Y608-G611 PolarHBondContact OH-O 3.5Å; Y608-G611 VanDerWaalsContact OH-O 3.1Å; Y608-L613 HydrophobicContact CE2-CD2 3.68Å; Y608-L613 WeakPolarHBondContact OH-CD2 3.4Å; Y608-R682 PolarHBondContact O-NH1 3.31Å; Y608-R682 PolarHBondContact O-NH2 3.34Å
609	E	84.4	Confident	92.1	Very high	163 Å²	163	44.1 Å²	44.1	76%	0.762	26%	0.255	S	S	*	.			trans	-129.2	37.9	-173.5	-59.8	-164.3	147.1	0	0	112.3	G611 R682	E609-G611 VanDerWaalsContact C-N 3.35Å; E609-G611 PolarHBondContact O-N 3.05Å; E609-R682 IonicContact OE1-NH2 2.69Å; E609-R682 PolarHBondContact OE1-NH2 2.99Å
610	G	83.1	Confident	92.2	Very high	46 Å²	46	44.1 Å²	44.1	47%	0.474	25%	0.254	S	S	.	.	S	Bend	trans	76.3	16.9	176.9	0	0	0	0	0	115.4
611	G	86.3	Confident	92.3	Very high	39 Å²	39	46.1 Å²	46.1	40%	0.402	27%	0.266	S	S	.	.			trans	-64	-169.6	-177.7	0	0	0	0	0	115.9	K527 Y608 E609 L613	K527-G611 PolarHBondContact NZ-O 3.05Å; Y608-G611 VanDerWaalsContact CE2-N 3.35Å; Y608-G611 PolarHBondContact OH-O 3.5Å; Y608-G611 VanDerWaalsContact OH-O 3.1Å; E609-G611 VanDerWaalsContact C-N 3.35Å; E609-G611 PolarHBondContact O-N 3.05Å; G611-L613 PolarHBondContact O-N 3.38Å
612	N	90.6	Very high	92.4	Very high	87 Å²	87	50 Å²	50	47%	0.465	28%	0.282	S	S	.	.			trans	-82.9	116.6	178.5	-163.4	4.8	0	0	0	111.6	M614 T615	N612-M614 PolarHBondContact O-N 3.12Å; N612-M614 PolarHBondContact OD1-N 2.92Å; N612-T615 VanDerWaalsContact O-CB 3.27Å; N612-T615 WeakPolarHBondContact O-CB 3.24Å; N612-T615 PolarHBondContact O-N 3.06Å
613	L	94.7	Very high	92.5	Very high	0 Å²	0	51 Å²	51	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-67.1	-21.8	177.5	-63.4	-178	0	0	0	112.5	V524 K527 F528 L531 L590 Y608 G611 T615 I616 L617	V524-L613 HydrophobicContact CG1-CD1 4.23Å; K527-L613 HydrophobicContact CB-CD1 3.81Å; K527-L613 HydrophobicContact CD-CB 4.43Å; K527-L613 HydrophobicContact CD-CD1 3.62Å; K527-L613 HydrophobicContact CD-CG 3.9Å; K527-L613 HydrophobicContact CG-CD1 3.75Å; K527-L613 HydrophobicContact CG-CG 4.45Å; F528-L613 HydrophobicContact CD1-CD1 4.19Å; F528-L613 HydrophobicContact CD2-CD1 3.9Å; F528-L613 HydrophobicContact CE1-CB 3.97Å; F528-L613 HydrophobicContact CE1-CD1 4.01Å; F528-L613 HydrophobicContact CE1-CG 4.44Å; F528-L613 HydrophobicContact CE2-CD1 3.74Å; F528-L613 HydrophobicContact CE2-CD2 4.22Å; F528-L613 HydrophobicContact CE2-CG 4.49Å; F528-L613 HydrophobicContact CG-CD1 4.13Å; F528-L613 HydrophobicContact CZ-CB 4.09Å; F528-L613 HydrophobicContact CZ-CD1 3.79Å; F528-L613 HydrophobicContact CZ-CD2 3.96Å; F528-L613 HydrophobicContact CZ-CG 4.16Å; L531-L613 HydrophobicContact CD1-CB 3.95Å; L590-L613 HydrophobicContact CD1-CD2 4.41Å; L590-L613 HydrophobicContact CD2-CD2 4.1Å; Y608-L613 HydrophobicContact CE2-CD2 3.68Å; Y608-L613 WeakPolarHBondContact OH-CD2 3.4Å; G611-L613 PolarHBondContact O-N 3.38Å; L613-T615 PolarHBondContact O-N 3.48Å; L613-I616 HydrophobicContact CD2-CG1 4.09Å; L613-I616 WeakPolarHBondContact O-CB 3.43Å; L613-I616 PolarHBondContact O-N 3.39Å; L613-L617 WeakPolarHBondContact O-CG 3.24Å; L613-L617 PolarHBondContact O-N 3.09Å
614	M	93.4	Very high	92.7	Very high	45 Å²	45	51.1 Å²	51.1	22%	0.222	30%	0.296	C	S	.	.	H	α-helix	trans	-59.5	-32.7	168.5	-63.1	-61.9	-69.1	0	0	112.2	T445 L446 L531 N612 L617 K618	T445-M614 WeakPolarHBondContact OG1-CE 3.34Å; L446-M614 HydrophobicContact CD1-CE 4.37Å; L446-M614 HydrophobicContact CD1-SD 4.36Å; L446-M614 HydrophobicContact CD2-CE 3.58Å; L446-M614 HydrophobicContact CD2-SD 3.84Å; L446-M614 HydrophobicContact CG-CE 3.94Å; L446-M614 HydrophobicContact CG-SD 4.43Å; L531-M614 HydrophobicContact CD1-CG 4.4Å; L531-M614 HydrophobicContact CD1-SD 3.91Å; L531-M614 HydrophobicContact CD2-CG 4.45Å; L531-M614 HydrophobicContact CD2-SD 3.7Å; L531-M614 HydrophobicContact CG-SD 4.3Å; N612-M614 PolarHBondContact O-N 3.12Å; N612-M614 PolarHBondContact OD1-N 2.92Å; M614-L617 HydrophobicContact SD-CD1 4.38Å; M614-K618 WeakPolarHBondContact O-CB 3.33Å; M614-K618 PolarHBondContact O-N 3.49Å
615	T	94.3	Very high	92.8	Very high	76 Å²	76	56.4 Å²	56.4	47%	0.466	32%	0.32	S	S	.	.	H	α-helix	trans	-70.8	-34.4	174.2	-51.1	0	0	0	0	111.2	N612 L613 N619	N612-T615 VanDerWaalsContact O-CB 3.27Å; N612-T615 WeakPolarHBondContact O-CB 3.24Å; N612-T615 PolarHBondContact O-N 3.06Å; L613-T615 PolarHBondContact O-N 3.48Å; T615-N619 VanDerWaalsContact O-CB 3.31Å; T615-N619 WeakPolarHBondContact O-CB 3.48Å; T615-N619 PolarHBondContact O-N 2.87Å; T615-N619 PolarHBondContact O-OD1 3.12Å
616	I	95.8	Very high	93.1	Very high	28 Å²	28	57.3 Å²	57.3	14%	0.144	32%	0.322	C	S	.	.	H	α-helix	trans	-67.5	-47.2	174.6	-54.2	-59.5	0	0	0	110.4	L561 L590 L613 K618 N619 I620	L561-I616 HydrophobicContact CD2-CG2 4.46Å; L590-I616 HydrophobicContact CD1-CD1 4.05Å; L590-I616 HydrophobicContact CD1-CG1 3.93Å; L590-I616 HydrophobicContact CD1-CG2 4.22Å; L613-I616 HydrophobicContact CD2-CG1 4.09Å; L613-I616 WeakPolarHBondContact O-CB 3.43Å; L613-I616 PolarHBondContact O-N 3.39Å; I616-K618 PolarHBondContact O-N 3.47Å; I616-N619 CarbonylContact O-C 3.51Å; I616-N619 WeakPolarHBondContact O-CA 3.49Å; I616-N619 WeakPolarHBondContact O-CB 3.46Å; I616-N619 PolarHBondContact O-N 3.06Å; I616-I620 HydrophobicContact CG2-CD1 4.15Å; I616-I620 WeakPolarHBondContact O-CG1 3.35Å; I616-I620 PolarHBondContact O-N 3.42Å
617	L	96.9	Very high	93.6	Very high	2 Å²	2	58.4 Å²	58.4	1%	0.01	32%	0.322	C	S	.	.	H	α-helix	trans	-58.5	-45.4	176.4	-66.4	169.9	0	0	0	111.5	L446 H449 L508 F528 L531 L532 L613 M614 N619 I620 E621	L446-L617 HydrophobicContact CD2-CB 4.46Å; L446-L617 HydrophobicContact CD2-CD1 3.61Å; H449-L617 PolarHBondContact NE2-O 3.23Å; L508-L617 HydrophobicContact CD2-CD2 3.38Å; F528-L617 HydrophobicContact CE1-CD1 4.16Å; F528-L617 HydrophobicContact CE1-CD2 3.92Å; F528-L617 HydrophobicContact CE1-CG 4.03Å; L531-L617 HydrophobicContact CB-CD1 4.44Å; L531-L617 HydrophobicContact CD1-CD1 4.17Å; L532-L617 HydrophobicContact CD1-CD2 4.4Å; L613-L617 WeakPolarHBondContact O-CG 3.24Å; L613-L617 PolarHBondContact O-N 3.09Å; M614-L617 HydrophobicContact SD-CD1 4.38Å; L617-N619 VanDerWaalsContact C-N 3.33Å; L617-N619 PolarHBondContact O-N 3.12Å; L617-I620 PolarHBondContact O-N 2.89Å; L617-I620 VanDerWaalsContact O-N 3.16Å; L617-E621 PolarHBondContact O-N 2.86Å
618	K	96.1	Very high	94	Very high	116 Å²	116	57.2 Å²	57.2	50%	0.504	31%	0.31	S	S	.	.	H	α-helix	trans	-63.4	-36.2	173.2	-177.7	157.5	-167.3	166.9	0	113.1	M614 I616 I620 E621 H622	M614-K618 WeakPolarHBondContact O-CB 3.33Å; M614-K618 PolarHBondContact O-N 3.49Å; I616-K618 PolarHBondContact O-N 3.47Å; K618-I620 VanDerWaalsContact C-N 3.29Å; K618-I620 PolarHBondContact O-N 3.25Å; K618-E621 WeakPolarHBondContact O-CB 3Å; K618-E621 PolarHBondContact O-N 3.28Å; K618-H622 WeakPolarHBondContact CE-CE1 3.39Å; K618-H622 WeakPolarHBondContact CE-NE2 2.84Å; K618-H622 PolarHBondContact O-N 3.07Å; K618-H622 PolarHBondContact O-ND1 2.9Å
619	N	96.4	Very high	94.4	Very high	55 Å²	55	56.1 Å²	56.1	29%	0.294	31%	0.306	S	S	.	.	H	α-helix	trans	-68.6	-27.3	175.1	-75.5	6.1	0	0	0	112.5	W604 T615 I616 L617 H622 S623 P855	W604-N619 HydrophobicContact CH2-CB 4.22Å; W604-N619 HydrophobicContact CZ3-CB 3.73Å; T615-N619 VanDerWaalsContact O-CB 3.31Å; T615-N619 WeakPolarHBondContact O-CB 3.48Å; T615-N619 PolarHBondContact O-N 2.87Å; T615-N619 PolarHBondContact O-OD1 3.12Å; I616-N619 CarbonylContact O-C 3.51Å; I616-N619 WeakPolarHBondContact O-CA 3.49Å; I616-N619 WeakPolarHBondContact O-CB 3.46Å; I616-N619 PolarHBondContact O-N 3.06Å; L617-N619 VanDerWaalsContact C-N 3.33Å; L617-N619 PolarHBondContact O-N 3.12Å; N619-H622 CarbonylContact O-C 3.55Å; N619-S623 WeakPolarHBondContact O-CB 3.35Å; N619-S623 PolarHBondContact O-N 2.87Å; N619-S623 VanDerWaalsContact O-N 3.08Å; N619-P855 HydrophobicContact CB-CG 3.93Å; N619-P855 WeakPolarHBondContact O-CD 3.49Å
620	I	97.6	Very high	95	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-73.1	-44.4	173	-65.1	164.7	0	0	0	110.5	L508 L561 A588 W604 I616 L617 K618 H622 S623 L852	L508-I620 HydrophobicContact CD1-CD1 4.43Å; L508-I620 HydrophobicContact CD1-CG2 4.29Å; L508-I620 HydrophobicContact CD2-CD1 3.99Å; L561-I620 HydrophobicContact CB-CD1 4.43Å; L561-I620 HydrophobicContact CD1-CD1 3.99Å; L561-I620 HydrophobicContact CD2-CD1 3.91Å; L561-I620 HydrophobicContact CG-CD1 4.32Å; A588-I620 HydrophobicContact CB-CD1 4.17Å; A588-I620 HydrophobicContact CB-CG1 3.93Å; W604-I620 HydrophobicContact CH2-CB 4.42Å; W604-I620 HydrophobicContact CH2-CG1 3.6Å; W604-I620 HydrophobicContact CZ2-CG1 4.37Å; W604-I620 HydrophobicContact CZ3-CG1 4.1Å; I616-I620 HydrophobicContact CG2-CD1 4.15Å; I616-I620 WeakPolarHBondContact O-CG1 3.35Å; I616-I620 PolarHBondContact O-N 3.42Å; L617-I620 PolarHBondContact O-N 2.89Å; L617-I620 VanDerWaalsContact O-N 3.16Å; K618-I620 VanDerWaalsContact C-N 3.29Å; K618-I620 PolarHBondContact O-N 3.25Å; I620-H622 PolarHBondContact O-N 3.19Å; I620-S623 WeakPolarHBondContact O-CB 3.43Å; I620-S623 PolarHBondContact O-N 3.4Å; I620-S623 VanDerWaalsContact O-N 3.12Å; I620-S623 PolarHBondContact O-OG 3.19Å; I620-L852 HydrophobicContact CG2-CD1 4.02Å
621	E	95.5	Very high	95.7	Very high	89 Å²	89	46.2 Å²	46.2	42%	0.416	25%	0.247	S	C	.	.	H	α-helix	trans	-54.2	-37	171.4	177.9	-163.9	-165.2	0	0	111.8	L617 K618	L617-E621 PolarHBondContact O-N 2.86Å; K618-E621 WeakPolarHBondContact O-CB 3Å; K618-E621 PolarHBondContact O-N 3.28Å
622	H	95.7	Very high	96.2	Very high	97 Å²	97	46.8 Å²	46.8	45%	0.449	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	17.6	-179.2	-62.9	54.2	0	0	0	113.4	K618 N619 I620	K618-H622 WeakPolarHBondContact CE-CE1 3.39Å; K618-H622 WeakPolarHBondContact CE-NE2 2.84Å; K618-H622 PolarHBondContact O-N 3.07Å; K618-H622 PolarHBondContact O-ND1 2.9Å; N619-H622 CarbonylContact O-C 3.55Å; I620-H622 PolarHBondContact O-N 3.19Å
623	S	97.1	Very high	96.5	Very high	22 Å²	22	42.9 Å²	42.9	15%	0.154	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-85.5	153.1	-179.9	65.4	0	0	0	0	112.2	N619 I620 M853	N619-S623 WeakPolarHBondContact O-CB 3.35Å; N619-S623 PolarHBondContact O-N 2.87Å; N619-S623 VanDerWaalsContact O-N 3.08Å; I620-S623 WeakPolarHBondContact O-CB 3.43Å; I620-S623 PolarHBondContact O-N 3.4Å; I620-S623 VanDerWaalsContact O-N 3.12Å; I620-S623 PolarHBondContact O-OG 3.19Å; S623-M853 WeakPolarHBondContact CA-O 3.48Å; S623-M853 VanDerWaalsContact CB-O 3.23Å; S623-M853 WeakPolarHBondContact CB-O 3.49Å
624	T	96.8	Very high	96.6	Very high	84 Å²	84	46.7 Å²	46.7	52%	0.515	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	129.4	173.8	49	0	0	0	0	110.2	V626 M853	T624-V626 PolarHBondContact O-N 2.95Å; T624-M853 PolarHBondContact N-O 2.81Å; T624-M853 PolarHBondContact O-N 2.9Å
625	K	96.9	Very high	96.6	Very high	140 Å²	140	45.9 Å²	45.9	61%	0.609	24%	0.237	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-66.8	126.3	171	-171.1	179.9	-175.5	178.4	0	109.5	P586 P850 M851 L852	P586-K625 HydrophobicContact CB-CG 4.35Å; K625-P850 HydrophobicContact CG-CB 4.48Å; K625-M851 WeakPolarHBondContact CA-O 3.37Å; K625-L852 HydrophobicContact CB-CD2 4.39Å
626	V	97.1	Very high	96.6	Very high	35 Å²	35	45.4 Å²	45.4	21%	0.212	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	170.5	170.1	-59.6	0	0	0	0	108.7	L602 T624 F781 P850 M851 M853	L602-V626 HydrophobicContact CD2-CG2 3.63Å; T624-V626 PolarHBondContact O-N 2.95Å; V626-F781 HydrophobicContact CB-CE2 4.47Å; V626-F781 HydrophobicContact CG2-CE2 3.99Å; V626-F781 HydrophobicContact CG2-CZ 4.46Å; V626-P850 WeakPolarHBondContact O-CA 3.34Å; V626-M851 HydrophobicContact CG2-CB 4.01Å; V626-M851 PolarHBondContact N-O 3.33Å; V626-M851 PolarHBondContact O-N 2.79Å; V626-M851 VanDerWaalsContact O-O 3.13Å; V626-M853 HydrophobicContact CG1-CB 4.06Å; V626-M853 HydrophobicContact CG1-CE 4.23Å; V626-M853 HydrophobicContact CG2-CB 4.24Å
627	V	97.3	Very high	96.4	Very high	54 Å²	54	46.7 Å²	46.7	33%	0.327	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	155.9	167.2	-85.4	0	0	0	0	109.7	F781 Q848 V849	V627-F781 WeakPolarHBondContact O-CD2 3.42Å; V627-F781 WeakPolarHBondContact O-CE2 2.93Å; V627-Q848 HydrophobicContact CB-CB 4.32Å; V627-Q848 HydrophobicContact CG1-CB 4.27Å; V627-V849 CarbonylContact C-O 3.46Å; V627-V849 WeakPolarHBondContact CA-O 3.49Å
628	L	97.8	Very high	96.1	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	118.6	174.6	171	67.7	0	0	0	107.4	L598 N732 I733 F781 Q848 V849 M851	L598-L628 HydrophobicContact CD1-CD1 4.06Å; L598-L628 HydrophobicContact CD1-CD2 3.88Å; L598-L628 HydrophobicContact CD2-CD2 3.98Å; L628-N732 WeakPolarHBondContact CD1-ND2 3.33Å; L628-I733 HydrophobicContact CD1-CG2 4.06Å; L628-F781 CarbonylContact C-O 3.58Å; L628-F781 WeakPolarHBondContact CA-O 3.24Å; L628-F781 HydrophobicContact CD1-CB 4.04Å; L628-F781 HydrophobicContact CD1-CD2 4.11Å; L628-F781 HydrophobicContact CD1-CG 4.32Å; L628-Q848 WeakPolarHBondContact O-CA 3.4Å; L628-V849 HydrophobicContact CB-CG2 3.95Å; L628-V849 HydrophobicContact CD2-CG2 4.07Å; L628-V849 HydrophobicContact CG-CG2 4.29Å; L628-V849 PolarHBondContact N-O 2.88Å; L628-V849 PolarHBondContact O-N 3.04Å; L628-M851 HydrophobicContact CB-CG 3.55Å; L628-M851 HydrophobicContact CD2-CG 3.91Å; L628-M851 HydrophobicContact CD2-SD 4.16Å; L628-M851 HydrophobicContact CG-CG 4.38Å
629	D	97.9	Very high	95.7	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	142.4	169	-69.8	-44.7	0	0	0	110.1	W631 N732 F781 S782 D783 Q784 H845 Q848	D629-W631 HydrophobicContact CB-CZ2 4.17Å; D629-N732 PolarHBondContact O-ND2 3.03Å; D629-F781 PolarHBondContact N-O 2.77Å; D629-S782 WeakPolarHBondContact OD2-CA 3.22Å; D629-S782 PolarHBondContact OD2-N 2.72Å; D629-D783 PolarHBondContact OD2-N 3.3Å; D629-Q784 WeakPolarHBondContact OD1-CG 3.45Å; D629-Q784 WeakPolarHBondContact OD2-CA 3.27Å; D629-Q784 PolarHBondContact OD2-N 2.69Å; D629-H845 IonicContact OD1-CD2 3.68Å; D629-H845 IonicContact OD1-NE2 3.88Å; D629-Q848 WeakPolarHBondContact OD1-CG 3.27Å; D629-Q848 PolarHBondContact OD1-NE2 3.26Å
630	R	97.4	Very high	94.8	Very high	1 Å²	1	56.8 Å²	56.8	0%	0.004	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	144.9	172.4	-71.5	166.1	70.4	-136	15.9	109.1	D577 I651 N653 K846 N847 V849	D577-R630 IonicContact OD1-CZ 2.68Å; D577-R630 IonicContact OD1-NH1 3.92Å; D577-R630 PolarHBondContact OD1-NH1 3.15Å; D577-R630 IonicContact OD2-CZ 2.67Å; D577-R630 VanDerWaalsContact OD2-CZ 3.24Å; D577-R630 IonicContact OD2-NH1 3.24Å; D577-R630 PolarHBondContact OD2-NH1 2.94Å; D577-R630 IonicContact OD2-NH2 2.62Å; D577-R630 PolarHBondContact OD2-NH2 3.04Å; R630-I651 HydrophobicContact CB-CG2 4.22Å; R630-N653 PolarHBondContact NE-OD1 2.68Å; R630-K846 WeakPolarHBondContact O-CA 3.4Å; R630-K846 VanDerWaalsContact O-CB 3.24Å; R630-K846 WeakPolarHBondContact O-CB 3.49Å; R630-K846 PolarHBondContact O-N 3.42Å; R630-N847 WeakPolarHBondContact CB-O 3.47Å; R630-N847 PolarHBondContact N-O 2.77Å; R630-N847 PolarHBondContact NH1-OD1 2.72Å; R630-N847 PolarHBondContact O-N 3.32Å; R630-V849 HydrophobicContact CG-CG2 4.29Å
631	W	98	Very high	93.9	Very high	0 Å²	0	65 Å²	65	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	132.5	-166	-57.7	84.7	0	0	0	110.3	D629 I651 I652 N732 Q784 L785 L786 A815 I843 T844 H845	D629-W631 HydrophobicContact CB-CZ2 4.17Å; W631-I651 CarbonylContact O-C 3.6Å; W631-I651 WeakPolarHBondContact O-CA 3.49Å; W631-I652 HydrophobicContact CB-CB 4.2Å; W631-I652 HydrophobicContact CB-CD1 4.32Å; W631-I652 PolarHBondContact N-O 3.04Å; W631-I652 PolarHBondContact O-N 2.58Å; W631-N732 PolarHBondContact NE1-OD1 2.99Å; W631-Q784 WeakPolarHBondContact CH2-O 3.23Å; W631-L785 WeakPolarHBondContact CZ2-O 3.43Å; W631-L786 HydrophobicContact CD2-CD1 3.77Å; W631-L786 HydrophobicContact CD2-CD2 3.74Å; W631-L786 HydrophobicContact CD2-CG 3.79Å; W631-L786 HydrophobicContact CE3-CD1 3.55Å; W631-L786 HydrophobicContact CE3-CD2 4.36Å; W631-L786 HydrophobicContact CE3-CG 3.91Å; W631-L786 HydrophobicContact CG-CD1 4.37Å; W631-L786 HydrophobicContact CG-CD2 3.97Å; W631-L786 HydrophobicContact CG-CG 4.47Å; W631-L786 HydrophobicContact CH2-CD1 4.28Å; W631-L786 HydrophobicContact CH2-CG 3.88Å; W631-L786 HydrophobicContact CZ2-CD1 4.46Å; W631-L786 HydrophobicContact CZ2-CD2 4.01Å; W631-L786 HydrophobicContact CZ2-CG 3.74Å; W631-L786 HydrophobicContact CZ3-CD1 3.83Å; W631-L786 HydrophobicContact CZ3-CG 3.96Å; W631-A815 VanDerWaalsContact CZ3-O 3.32Å; W631-A815 WeakPolarHBondContact CZ3-O 3.4Å; W631-I843 HydrophobicContact CB-CG2 3.96Å; W631-I843 HydrophobicContact CE3-CG2 4.43Å; W631-T844 CarbonylContact C-O 3.53Å; W631-T844 WeakPolarHBondContact CA-O 3.43Å; W631-T844 VanDerWaalsContact CE3-C 3.43Å; W631-H845 VanDerWaalsContact CE3-CA 3.47Å; W631-H845 HydrophobicContact CE3-CB 4Å; W631-H845 VanDerWaalsContact CE3-N 3.31Å; W631-H845 HydrophobicContact CH2-CB 4.05Å; W631-H845 HydrophobicContact CZ3-CB 3.63Å
632	N	97.5	Very high	93.2	Very high	52 Å²	52	64.3 Å²	64.3	28%	0.278	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	125.4	174.7	-173.1	94.5	0	0	0	108.6	S650 I843 T844 K846	N632-S650 WeakPolarHBondContact CA-O 2.98Å; N632-I843 WeakPolarHBondContact O-CA 3.46Å; N632-T844 PolarHBondContact N-O 2.77Å; N632-T844 PolarHBondContact O-N 3.25Å; N632-T844 VanDerWaalsContact O-N 3.07Å; N632-K846 HydrophobicContact CB-CB 4.06Å; N632-K846 HydrophobicContact CB-CG 4.41Å
633	I	96.4	Very high	92.2	Very high	5 Å²	5	68.5 Å²	68.5	3%	0.026	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	121.6	172.3	-179.5	168.7	0	0	0	109.4	I635 S650 I652 F656 I829 V841 I842 I843	I633-I635 HydrophobicContact CD1-CD1 4.35Å; I633-I635 HydrophobicContact CD1-CG1 4.48Å; I633-I635 HydrophobicContact CG1-CD1 4.47Å; I633-I635 HydrophobicContact CG1-CG1 4.14Å; I633-S650 PolarHBondContact N-O 3.19Å; I633-I652 HydrophobicContact CB-CD1 4.08Å; I633-I652 HydrophobicContact CB-CG1 4.31Å; I633-I652 HydrophobicContact CD1-CD1 4.45Å; I633-I652 HydrophobicContact CG2-CD1 4.38Å; I633-I652 HydrophobicContact CG2-CG1 4.06Å; I633-F656 HydrophobicContact CD1-CD1 4.47Å; I633-F656 HydrophobicContact CD1-CD2 3.57Å; I633-F656 HydrophobicContact CD1-CE1 4.45Å; I633-F656 HydrophobicContact CD1-CE2 3.55Å; I633-F656 HydrophobicContact CD1-CG 4.05Å; I633-F656 HydrophobicContact CD1-CZ 4Å; I633-I829 HydrophobicContact CD1-CD1 4.34Å; I633-I829 HydrophobicContact CG2-CD1 3.73Å; I633-V841 HydrophobicContact CD1-CG1 3.58Å; I633-V841 HydrophobicContact CG1-CG1 3.7Å; I633-I842 WeakPolarHBondContact CA-O 3.41Å; I633-I843 HydrophobicContact CB-CG1 4.33Å; I633-I843 HydrophobicContact CD1-CD1 4.44Å; I633-I843 HydrophobicContact CD1-CG1 4.29Å; I633-I843 HydrophobicContact CG1-CG1 4.12Å
634	N	95.9	Very high	91.3	Very high	79 Å²	79	69.1 Å²	69.1	42%	0.422	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	136	172.8	179.7	40.2	0	0	0	108.8	V841 I842	N634-V841 WeakPolarHBondContact O-CA 3.5Å; N634-I842 HydrophobicContact CB-CB 4.48Å; N634-I842 PolarHBondContact N-O 3.04Å; N634-I842 PolarHBondContact O-N 3.05Å
635	I	94.7	Very high	90.9	Very high	29 Å²	29	68 Å²	68	15%	0.149	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	118.4	-178.7	-58.6	-177.1	0	0	0	107.6	I633 P637 V647 W834 C839 V841	I633-I635 HydrophobicContact CD1-CD1 4.35Å; I633-I635 HydrophobicContact CD1-CG1 4.48Å; I633-I635 HydrophobicContact CG1-CD1 4.47Å; I633-I635 HydrophobicContact CG1-CG1 4.14Å; I635-P637 WeakPolarHBondContact O-CD 3.29Å; I635-V647 HydrophobicContact CD1-CG1 3.99Å; I635-V647 HydrophobicContact CD1-CG2 3.91Å; I635-W834 HydrophobicContact CD1-CH2 4.29Å; I635-W834 HydrophobicContact CD1-CZ2 3.53Å; I635-C839 HydrophobicContact CG2-CB 4.07Å; I635-V841 HydrophobicContact CG1-CG1 4.29Å; I635-V841 HydrophobicContact CG1-CG2 4.27Å
636	V	94.5	Very high	90.4	Very high	66 Å²	66	66.9 Å²	66.9	40%	0.4	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	103.8	179.3	-176.3	0	0	0	0	107.4	C839 T840	V636-C839 CarbonylContact O-C 3.52Å; V636-C839 VanDerWaalsContact O-CA 3.26Å; V636-C839 WeakPolarHBondContact O-CA 3.36Å; V636-C839 VanDerWaalsContact O-CB 3.3Å; V636-C839 WeakPolarHBondContact O-CB 3.48Å; V636-T840 PolarHBondContact N-O 2.92Å; V636-T840 PolarHBondContact O-N 2.99Å
637	P	91.4	Very high	90	Very high	55 Å²	55	68.1 Å²	68.1	36%	0.357	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	140.9	174.4	-23	34.9	0	0	0	111.4	I635 D639	I635-P637 WeakPolarHBondContact O-CD 3.29Å; P637-D639 WeakPolarHBondContact CB-O 3.29Å
638	D	89.5	Confident	89.4	Confident	99 Å²	99	68.1 Å²	68.1	53%	0.529	36%	0.362	S	S	.	.	S	Bend	trans	-72.6	-36.5	177.6	-63.2	-12.7	0	0	0	110.7	P838 C839	D638-P838 HydrophobicContact CB-CB 4.28Å; D638-P838 PolarHBondContact N-O 2.82Å; D638-C839 VanDerWaalsContact OD1-CA 3.26Å; D638-C839 WeakPolarHBondContact OD1-CA 3.43Å; D638-C839 PolarHBondContact OD2-N 2.89Å
639	D	87.7	Confident	89	Confident	89 Å²	89	71.7 Å²	71.7	48%	0.476	38%	0.376	S	S	.	.			trans	-115.7	138.5	166.2	-171.6	-8.4	0	0	0	109.4	P637 E641 E642	P637-D639 WeakPolarHBondContact CB-O 3.29Å; D639-E641 PolarHBondContact OD1-N 3.01Å; D639-E642 HydrophobicContact CB-CB 4.46Å
640	K	78.4	Confident	88.7	Confident	196 Å²	196	74.6 Å²	74.6	85%	0.852	40%	0.397	S	S	*	.	S	Bend	trans	-90.3	-13.8	178.7	-64.2	-177.2	-178.9	178.9	0	113.2
641	E	78.4	Confident	88.6	Confident	172 Å²	172	75 Å²	75	80%	0.804	40%	0.399	S	S	*	.	S	Bend	trans	-91.5	-23.9	177.7	-61.8	-166.1	-172.1	0	0	112.7	D639 K643	D639-E641 PolarHBondContact OD1-N 3.01Å; E641-K643 PolarHBondContact O-N 3.06Å
642	E	80.8	Confident	88.5	Confident	76 Å²	76	75.1 Å²	75.1	36%	0.355	40%	0.4	S	S	.	.	S	Bend	trans	-71.4	96.6	175	-160.8	-164.1	150.3	0	0	111.4	D639 G644 R824 P837 P838	D639-E642 HydrophobicContact CB-CB 4.46Å; E642-G644 PolarHBondContact O-N 2.95Å; E642-R824 IonicContact OE1-CZ 2.88Å; E642-R824 VanDerWaalsContact OE1-CZ 3.24Å; E642-R824 IonicContact OE1-NE 3.23Å; E642-R824 PolarHBondContact OE1-NE 3.29Å; E642-R824 IonicContact OE1-NH2 3.79Å; E642-R824 PolarHBondContact OE1-NH2 3.34Å; E642-P837 HydrophobicContact CB-CB 4.49Å; E642-P837 HydrophobicContact CG-CB 4.35Å; E642-P837 HydrophobicContact CG-CG 4.49Å; E642-P837 WeakPolarHBondContact O-CG 3.44Å; E642-P838 WeakPolarHBondContact OE2-CD 3.29Å
643	K	75.3	Confident	88.5	Confident	185 Å²	185	73 Å²	73	80%	0.804	39%	0.388	S	S	*	.			trans	-66.2	120.4	-179.9	-67.1	-173.9	178.1	-178.2	0	112.4	E641 R824	E641-K643 PolarHBondContact O-N 3.06Å; K643-R824 PolarHBondContact O-NH1 3.12Å; K643-R824 PolarHBondContact O-NH2 3.35Å
644	G	78.6	Confident	88.4	Confident	34 Å²	34	72.9 Å²	72.9	35%	0.351	39%	0.388	S	S	.	.			trans	-89	-179.9	166.6	0	0	0	0	0	113	E642 P837	E642-G644 PolarHBondContact O-N 2.95Å; G644-P837 VanDerWaalsContact CA-CD 3.42Å; G644-P837 VanDerWaalsContact CA-CG 3.45Å
645	D	86.6	Confident	88.4	Confident	62 Å²	62	69.9 Å²	69.9	33%	0.332	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-71.4	152.4	160.9	-65.2	-16.3	0	0	0	109.5	V647 W834 M835	D645-V647 PolarHBondContact O-N 3.05Å; D645-W834 HydrophobicContact CB-CB 3.81Å; D645-M835 PolarHBondContact N-O 2.88Å; D645-M835 VanDerWaalsContact N-O 3.11Å; D645-M835 WeakPolarHBondContact OD2-CB 3.41Å; D645-M835 WeakPolarHBondContact OD2-CG 3.28Å; D645-M835 PolarHBondContact OD2-N 3.07Å
646	P	86.9	Confident	88.5	Confident	115 Å²	115	68.5 Å²	68.5	75%	0.747	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-67.8	130.3	179.6	27.7	-34.3	0	0	0	111.9
647	V	88.3	Confident	88.6	Confident	61 Å²	61	65.3 Å²	65.3	37%	0.37	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-64.2	126.2	172.8	-175.5	0	0	0	0	108.9	I635 D645 W834	I635-V647 HydrophobicContact CD1-CG1 3.99Å; I635-V647 HydrophobicContact CD1-CG2 3.91Å; D645-V647 PolarHBondContact O-N 3.05Å; V647-W834 HydrophobicContact CG1-CH2 4.37Å; V647-W834 HydrophobicContact CG1-CZ2 4.16Å; V647-W834 HydrophobicContact CG2-CZ2 4.47Å
648	P	85.6	Confident	88.8	Confident	55 Å²	55	62.8 Å²	62.8	36%	0.357	33%	0.328	S	S	.	.			trans	-71.3	-39.2	-167.8	26	-34.6	0	0	0	113.6	W834	P648-W834 HydrophobicContact CG-CE3 3.87Å; P648-W834 HydrophobicContact CG-CZ3 4.03Å
649	Y	88.3	Confident	89.1	Confident	74 Å²	74	58 Å²	58	29%	0.29	30%	0.302	S	S	.	.			trans	-166.2	161.6	175.4	37.4	-92.2	0	0	0	111	I651 I829 D830 E832	Y649-I651 WeakPolarHBondContact CD2-O 3.12Å; Y649-I829 HydrophobicContact CD2-CG2 4.22Å; Y649-I829 HydrophobicContact CE2-CB 4.1Å; Y649-I829 HydrophobicContact CE2-CG2 3.68Å; Y649-I829 WeakPolarHBondContact O-CD1 3.02Å; Y649-I829 PolarHBondContact OH-O 3.36Å; Y649-D830 HydrophobicContact CE2-CB 4.5Å; Y649-E832 HydrophobicContact CE1-CB 4.27Å; Y649-E832 HydrophobicContact CE1-CG 4.37Å
650	S	92.7	Very high	89.2	Confident	61 Å²	61	53.9 Å²	53.9	43%	0.427	28%	0.28	S	S	.	.	S	Bend	trans	-99.1	17	-174	57	0	0	0	0	115.1	N632 I633	N632-S650 WeakPolarHBondContact CA-O 2.98Å; I633-S650 PolarHBondContact N-O 3.19Å
651	I	95.6	Very high	89.8	Confident	11 Å²	11	44.8 Å²	44.8	6%	0.056	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	124.3	-177.2	-49.6	174.4	0	0	0	110.6	R630 W631 Y649 K846	R630-I651 HydrophobicContact CB-CG2 4.22Å; W631-I651 CarbonylContact O-C 3.6Å; W631-I651 WeakPolarHBondContact O-CA 3.49Å; Y649-I651 WeakPolarHBondContact CD2-O 3.12Å; I651-K846 HydrophobicContact CD1-CD 4.08Å; I651-K846 HydrophobicContact CG1-CD 4.12Å; I651-K846 HydrophobicContact CG2-CD 4.12Å
652	I	96.4	Very high	90.5	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.01	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	128.1	170.5	-49	159.1	0	0	0	108.3	W631 I633 F656 I829 I843	W631-I652 HydrophobicContact CB-CB 4.2Å; W631-I652 HydrophobicContact CB-CD1 4.32Å; W631-I652 PolarHBondContact N-O 3.04Å; W631-I652 PolarHBondContact O-N 2.58Å; I633-I652 HydrophobicContact CB-CD1 4.08Å; I633-I652 HydrophobicContact CB-CG1 4.31Å; I633-I652 HydrophobicContact CD1-CD1 4.45Å; I633-I652 HydrophobicContact CG2-CD1 4.38Å; I633-I652 HydrophobicContact CG2-CG1 4.06Å; I652-F656 HydrophobicContact CD1-CB 3.62Å; I652-F656 HydrophobicContact CD1-CG 4.42Å; I652-F656 HydrophobicContact CG1-CB 4.11Å; I652-I829 HydrophobicContact CB-CG2 4.17Å; I652-I829 HydrophobicContact CG1-CG1 4.46Å; I652-I829 HydrophobicContact CG1-CG2 3.83Å; I652-I829 HydrophobicContact CG2-CG2 4.31Å; I652-I843 HydrophobicContact CD1-CD1 3.96Å; I652-I843 HydrophobicContact CD1-CG1 4.23Å; I652-I843 HydrophobicContact CD1-CG2 3.83Å
653	N	95.9	Very high	91.1	Very high	6 Å²	6	33.6 Å²	33.6	3%	0.032	19%	0.19	C	C	.	.	S	Bend	trans	-111.9	-28.3	175.8	-45.1	-94.4	0	0	0	111.3	R630 N732 D830	R630-N653 PolarHBondContact NE-OD1 2.68Å; N653-N732 PolarHBondContact O-ND2 2.97Å; N653-D830 WeakPolarHBondContact CA-OD2 3.46Å; N653-D830 VanDerWaalsContact CB-OD2 3.31Å; N653-D830 WeakPolarHBondContact CB-OD2 3.4Å; N653-D830 PolarHBondContact N-OD1 3.42Å; N653-D830 PolarHBondContact N-OD2 3.44Å; N653-D830 PolarHBondContact ND2-OD2 3.25Å
654	N	95.4	Very high	91.8	Very high	4 Å²	4	25.2 Å²	25.2	2%	0.021	15%	0.154	C	C	.	.	S	Bend	trans	-117.2	-58.6	-178.7	-58	-11.4	0	0	0	111.6	D566 L598 N732 I733 D830	D566-N654 PolarHBondContact OD1-ND2 2.95Å; L598-N654 WeakPolarHBondContact CB-OD1 3.32Å; N654-N732 WeakPolarHBondContact O-CB 3.28Å; N654-N732 PolarHBondContact O-N 3.09Å; N654-I733 HydrophobicContact CB-CD1 3.62Å; N654-I733 HydrophobicContact CB-CG1 3.95Å; N654-I733 PolarHBondContact O-N 2.91Å; N654-D830 WeakPolarHBondContact CA-OD1 3.25Å; N654-D830 VanDerWaalsContact CB-OD1 3.29Å; N654-D830 WeakPolarHBondContact CB-OD1 3.46Å; N654-D830 PolarHBondContact N-OD1 3.25Å; N654-D830 PolarHBondContact N-OD2 2.72Å
655	Y	95.7	Very high	92.3	Very high	15 Å²	15	23.8 Å²	23.8	6%	0.059	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.1	156.6	-177.6	63	-84.8	0	0	0	113.7	I730 M736 H737 D830	Y655-I730 VanDerWaalsContact CA-O 3.28Å; Y655-I730 WeakPolarHBondContact CA-O 3.32Å; Y655-I730 WeakPolarHBondContact CB-O 3.36Å; Y655-M736 WeakPolarHBondContact CB-SD 3.18Å; Y655-M736 HydrophobicContact CD1-CB 4.39Å; Y655-M736 HydrophobicContact CD1-CG 3.72Å; Y655-M736 HydrophobicContact CD1-SD 3.32Å; Y655-M736 WeakPolarHBondContact CD1-SD 3.3Å; Y655-M736 HydrophobicContact CD2-CE 4.34Å; Y655-M736 HydrophobicContact CD2-SD 3.32Å; Y655-M736 WeakPolarHBondContact CD2-SD 3.32Å; Y655-M736 HydrophobicContact CE1-CB 4.05Å; Y655-M736 HydrophobicContact CE1-CG 3.9Å; Y655-M736 HydrophobicContact CE1-SD 3.78Å; Y655-M736 HydrophobicContact CE2-SD 3.76Å; Y655-M736 HydrophobicContact CG-CG 4.12Å; Y655-M736 HydrophobicContact CG-SD 3.08Å; Y655-H737 AromaticContact CE2-CE1 3.83Å; Y655-H737 AromaticContact CZ-CE1 3.83Å; Y655-H737 PolarHBondContact OH-CE1 3.36Å; Y655-H737 VanDerWaalsContact OH-CE1 3.3Å; Y655-D830 PolarHBondContact N-OD1 2.83Å; Y655-D830 PolarHBondContact O-N 2.95Å
656	F	96.9	Very high	92.5	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	147	167.8	166	-102.6	0	0	0	109.4	I633 I652 V658 I730 I819 M827 Q828 I829 W834 V841 I843	I633-F656 HydrophobicContact CD1-CD1 4.47Å; I633-F656 HydrophobicContact CD1-CD2 3.57Å; I633-F656 HydrophobicContact CD1-CE1 4.45Å; I633-F656 HydrophobicContact CD1-CE2 3.55Å; I633-F656 HydrophobicContact CD1-CG 4.05Å; I633-F656 HydrophobicContact CD1-CZ 4Å; I652-F656 HydrophobicContact CD1-CB 3.62Å; I652-F656 HydrophobicContact CD1-CG 4.42Å; I652-F656 HydrophobicContact CG1-CB 4.11Å; F656-V658 HydrophobicContact CD1-CG2 4.46Å; F656-V658 HydrophobicContact CE1-CG2 3.45Å; F656-V658 VanDerWaalsContact CE1-CG2 3.45Å; F656-V658 HydrophobicContact CE2-CG2 4.39Å; F656-V658 HydrophobicContact CZ-CG2 3.41Å; F656-V658 VanDerWaalsContact CZ-CG2 3.41Å; F656-I730 HydrophobicContact CB-CB 4.45Å; F656-I730 HydrophobicContact CD1-CB 4.34Å; F656-I730 HydrophobicContact CD1-CG1 3.9Å; F656-I730 PolarHBondContact N-O 3.47Å; F656-I730 PolarHBondContact O-N 2.87Å; F656-I819 HydrophobicContact CE1-CD1 3.85Å; F656-M827 HydrophobicContact CE2-CB 4.1Å; F656-M827 HydrophobicContact CE2-CG 4.48Å; F656-M827 HydrophobicContact CE2-SD 4.07Å; F656-M827 HydrophobicContact CZ-CB 4.49Å; F656-M827 HydrophobicContact CZ-CG 4.39Å; F656-M827 HydrophobicContact CZ-SD 3.74Å; F656-Q828 WeakPolarHBondContact CA-O 3.27Å; F656-Q828 WeakPolarHBondContact CD2-O 3.39Å; F656-I829 HydrophobicContact CD2-CG1 3.77Å; F656-W834 HydrophobicContact CD2-CH2 4.35Å; F656-W834 AromaticContact CE2-CH2 3.87Å; F656-W834 HydrophobicContact CE2-CH2 3.87Å; F656-W834 HydrophobicContact CE2-CZ2 4.41Å; F656-V841 HydrophobicContact CE1-CG1 4.33Å; F656-V841 HydrophobicContact CZ-CG1 4.13Å; F656-I843 HydrophobicContact CB-CD1 4.44Å; F656-I843 HydrophobicContact CD1-CD1 3.67Å; F656-I843 HydrophobicContact CE1-CD1 4.18Å; F656-I843 HydrophobicContact CG-CD1 4.23Å
657	S	95.9	Very high	92.6	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	154.1	173.3	69.9	0	0	0	0	113.1	D661 I728 M827 Q828	S657-D661 WeakPolarHBondContact CB-OD2 3.46Å; S657-D661 PolarHBondContact OG-OD2 3.26Å; S657-I728 CarbonylContact C-O 3.1Å; S657-I728 VanDerWaalsContact CA-O 3.26Å; S657-I728 WeakPolarHBondContact CA-O 3.45Å; S657-I728 WeakPolarHBondContact CB-O 3.45Å; S657-M827 WeakPolarHBondContact O-CA 3.3Å; S657-Q828 VanDerWaalsContact N-NE2 3.19Å; S657-Q828 PolarHBondContact N-O 2.69Å; S657-Q828 VanDerWaalsContact N-O 3.1Å; S657-Q828 PolarHBondContact O-N 2.86Å; S657-Q828 VanDerWaalsContact OG-CG 3.28Å; S657-Q828 WeakPolarHBondContact OG-CG 3.43Å; S657-Q828 PolarHBondContact OG-NE2 2.58Å
658	V	96.3	Very high	92.5	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.006	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	139.3	179.5	-173	0	0	0	0	109	F656 I709 G727 I728 L825 M827	F656-V658 HydrophobicContact CD1-CG2 4.46Å; F656-V658 HydrophobicContact CE1-CG2 3.45Å; F656-V658 VanDerWaalsContact CE1-CG2 3.45Å; F656-V658 HydrophobicContact CE2-CG2 4.39Å; F656-V658 HydrophobicContact CZ-CG2 3.41Å; F656-V658 VanDerWaalsContact CZ-CG2 3.41Å; V658-I709 HydrophobicContact CB-CD1 4.46Å; V658-I709 HydrophobicContact CG1-CD1 3.88Å; V658-G727 VanDerWaalsContact O-CA 3.32Å; V658-G727 WeakPolarHBondContact O-CA 3.35Å; V658-I728 PolarHBondContact N-O 2.97Å; V658-I728 PolarHBondContact O-N 2.79Å; V658-L825 HydrophobicContact CG1-CB 4.09Å; V658-L825 HydrophobicContact CG1-CD1 3.86Å; V658-M827 HydrophobicContact CG1-CE 4.14Å; V658-M827 HydrophobicContact CG1-CG 4.15Å; V658-M827 HydrophobicContact CG2-CE 4.21Å; V658-M827 HydrophobicContact CG2-CG 4.05Å; V658-M827 HydrophobicContact CG2-SD 4.21Å
659	G	94.8	Very high	92.6	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	90.5	-134.3	176.7	0	0	0	0	0	113.7	D661 A662 S663 C702 P826	G659-D661 VanDerWaalsContact C-N 3.31Å; G659-D661 PolarHBondContact O-N 3.22Å; G659-D661 VanDerWaalsContact O-N 3.16Å; G659-A662 PolarHBondContact O-N 2.71Å; G659-A662 VanDerWaalsContact O-N 3.1Å; G659-S663 PolarHBondContact O-N 3.16Å; G659-C702 VanDerWaalsContact CA-SG 3.57Å; G659-P826 PolarHBondContact N-O 2.95Å; G659-P826 WeakPolarHBondContact O-CG 3.45Å
660	V	91.1	Very high	92.5	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.006	9%	0.09	C	C	.	.	H	α-helix	trans	-56.6	-37.1	-162.6	68.1	0	0	0	0	114.8	I664 E696 C702 E726 A794 M797	V660-I664 HydrophobicContact CG2-CD1 4.44Å; V660-I664 WeakPolarHBondContact O-CD1 3.28Å; V660-I664 WeakPolarHBondContact O-CG1 3.41Å; V660-I664 PolarHBondContact O-N 3.27Å; V660-E696 HydrophobicContact CG2-CG 3.74Å; V660-C702 HydrophobicContact CB-CB 4.34Å; V660-E726 HydrophobicContact CB-CB 4.05Å; V660-E726 WeakPolarHBondContact CB-O 3.49Å; V660-E726 HydrophobicContact CG1-CB 4.18Å; V660-E726 PolarHBondContact N-O 2.98Å; V660-A794 HydrophobicContact CG2-CB 3.85Å; V660-M797 HydrophobicContact CG1-CE 4.08Å; V660-M797 HydrophobicContact CG1-SD 4.48Å; V660-M797 HydrophobicContact CG2-CE 4.43Å
661	D	90.7	Very high	92.2	Very high	6 Å²	6	17.2 Å²	17.2	3%	0.032	8%	0.083	C	C	.	.	H	α-helix	trans	-68.3	-51.9	175.8	176.8	49.3	0	0	0	112	S657 G659 S663 I664 A665 H737 M797	S657-D661 WeakPolarHBondContact CB-OD2 3.46Å; S657-D661 PolarHBondContact OG-OD2 3.26Å; G659-D661 VanDerWaalsContact C-N 3.31Å; G659-D661 PolarHBondContact O-N 3.22Å; G659-D661 VanDerWaalsContact O-N 3.16Å; D661-S663 PolarHBondContact O-N 3.45Å; D661-I664 PolarHBondContact O-N 3.33Å; D661-A665 PolarHBondContact O-N 3.03Å; D661-H737 IonicContact OD1-CE1 2.73Å; D661-H737 PolarHBondContact OD1-CE1 3.19Å; D661-H737 IonicContact OD1-ND1 2.77Å; D661-H737 IonicContact OD1-NE2 3.91Å; D661-H737 IonicContact OD2-CE1 3.3Å; D661-H737 PolarHBondContact OD2-CE1 2.98Å; D661-H737 IonicContact OD2-NE2 2.66Å; D661-M797 HydrophobicContact CB-CE 4.18Å; D661-M797 HydrophobicContact CB-SD 3.94Å
662	A	93.1	Very high	91.6	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-57.8	-34.6	175.8	0	0	0	0	0	112.9	G659 A665 H666 P826 M827 Q828	G659-A662 PolarHBondContact O-N 2.71Å; G659-A662 VanDerWaalsContact O-N 3.1Å; A662-A665 PolarHBondContact O-N 3.38Å; A662-H666 VanDerWaalsContact O-CB 3.25Å; A662-H666 WeakPolarHBondContact O-CB 3.15Å; A662-H666 PolarHBondContact O-N 3.11Å; A662-P826 HydrophobicContact CB-CB 3.97Å; A662-P826 WeakPolarHBondContact CB-O 3.49Å; A662-M827 VanDerWaalsContact CB-C 3.45Å; A662-Q828 HydrophobicContact CB-CB 4.18Å; A662-Q828 HydrophobicContact CB-CG 3.97Å
663	S	92.4	Very high	90.9	Very high	12 Å²	12	25.9 Å²	25.9	8%	0.084	12%	0.119	C	C	.	.	H	α-helix	trans	-63	-42.7	173.1	-173.2	0	0	0	0	112.4	G659 D661 H666 R667 E696	G659-S663 PolarHBondContact O-N 3.16Å; D661-S663 PolarHBondContact O-N 3.45Å; S663-H666 PolarHBondContact O-N 2.83Å; S663-R667 WeakPolarHBondContact O-CG 3.31Å; S663-R667 PolarHBondContact O-N 3.39Å; S663-E696 WeakPolarHBondContact CB-OE2 3.18Å; S663-E696 PolarHBondContact OG-OE2 3.49Å
664	I	89.5	Confident	90.4	Very high	9 Å²	9	33.1 Å²	33.1	5%	0.046	15%	0.151	C	C	.	.	H	α-helix	trans	-67.4	-41.9	178	-67	160.7	0	0	0	110.4	V660 D661 R667 F668 Y689 F692 E696 A794 M797	V660-I664 HydrophobicContact CG2-CD1 4.44Å; V660-I664 WeakPolarHBondContact O-CD1 3.28Å; V660-I664 WeakPolarHBondContact O-CG1 3.41Å; V660-I664 PolarHBondContact O-N 3.27Å; D661-I664 PolarHBondContact O-N 3.33Å; I664-R667 PolarHBondContact O-N 2.9Å; I664-F668 WeakPolarHBondContact O-CB 3.23Å; I664-F668 PolarHBondContact O-N 3.13Å; I664-Y689 HydrophobicContact CG2-CD1 3.93Å; I664-Y689 HydrophobicContact CG2-CE1 4.33Å; I664-F692 HydrophobicContact CG2-CB 4.16Å; I664-E696 HydrophobicContact CD1-CB 4.15Å; I664-E696 HydrophobicContact CD1-CG 4.42Å; I664-E696 HydrophobicContact CG1-CB 3.8Å; I664-E696 HydrophobicContact CG1-CG 4.14Å; I664-A794 HydrophobicContact CD1-CB 4.3Å; I664-M797 HydrophobicContact CD1-CE 3.59Å
665	A	90.1	Very high	89.9	Confident	5 Å²	5	35.4 Å²	35.4	4%	0.041	16%	0.161	C	C	.	.	H	α-helix	trans	-59.5	-46	171.9	0	0	0	0	0	111.5	D661 A662 R667 F668 H669 Q828 P833	D661-A665 PolarHBondContact O-N 3.03Å; A662-A665 PolarHBondContact O-N 3.38Å; A665-R667 PolarHBondContact O-N 3.38Å; A665-F668 CarbonylContact O-C 3.58Å; A665-F668 WeakPolarHBondContact O-CB 3.27Å; A665-F668 PolarHBondContact O-N 2.73Å; A665-F668 VanDerWaalsContact O-N 3.17Å; A665-H669 WeakPolarHBondContact O-CB 3.37Å; A665-H669 PolarHBondContact O-N 2.77Å; A665-Q828 HydrophobicContact CB-CG 4.41Å; A665-P833 HydrophobicContact CB-CB 4.03Å; A665-P833 HydrophobicContact CB-CG 4.29Å
666	H	90.7	Very high	89.2	Confident	35 Å²	35	38.7 Å²	38.7	16%	0.162	18%	0.184	C	C	.	.	H	α-helix	trans	-61.6	-44.9	178.9	-171.9	-118.3	0	0	0	112.6	A662 S663 F668 H669 M670 P833	A662-H666 VanDerWaalsContact O-CB 3.25Å; A662-H666 WeakPolarHBondContact O-CB 3.15Å; A662-H666 PolarHBondContact O-N 3.11Å; S663-H666 PolarHBondContact O-N 2.83Å; H666-F668 VanDerWaalsContact C-N 3.34Å; H666-F668 PolarHBondContact O-N 3.28Å; H666-H669 PolarHBondContact O-N 3.24Å; H666-M670 WeakPolarHBondContact O-CG 3.38Å; H666-M670 PolarHBondContact O-N 2.87Å; H666-P833 VanDerWaalsContact CA-CG 3.49Å; H666-P833 HydrophobicContact CB-CB 4.03Å; H666-P833 HydrophobicContact CB-CG 4.16Å
667	R	88.4	Confident	88.4	Confident	49 Å²	49	43.6 Å²	43.6	19%	0.185	21%	0.207	C	C	.	.	H	α-helix	trans	-60.7	-41.6	172.8	-69.3	176.7	-166.3	-154.8	1.1	112	S663 I664 A665 M671 F692 T695 E696 S699	S663-R667 WeakPolarHBondContact O-CG 3.31Å; S663-R667 PolarHBondContact O-N 3.39Å; I664-R667 PolarHBondContact O-N 2.9Å; A665-R667 PolarHBondContact O-N 3.38Å; R667-M671 WeakPolarHBondContact O-CB 3.34Å; R667-M671 WeakPolarHBondContact O-CG 3.45Å; R667-M671 PolarHBondContact O-N 3.29Å; R667-F692 HydrophobicContact CB-CB 4.34Å; R667-F692 HydrophobicContact CB-CD1 4.43Å; R667-F692 HydrophobicContact CB-CG 4.18Å; R667-T695 PolarHBondContact NH1-OG1 3.01Å; R667-E696 IonicContact CZ-OE2 2.68Å; R667-E696 IonicContact NE-OE2 2.72Å; R667-E696 PolarHBondContact NE-OE2 2.92Å; R667-E696 IonicContact NH1-OE2 3.92Å; R667-E696 IonicContact NH2-OE1 3.48Å; R667-E696 PolarHBondContact NH2-OE1 3.14Å; R667-E696 IonicContact NH2-OE2 3.11Å; R667-E696 PolarHBondContact NH2-OE2 3.16Å; R667-S699 PolarHBondContact NH1-OG 2.91Å; R667-S699 PolarHBondContact NH2-OG 2.99Å
668	F	87.1	Confident	87.7	Confident	9 Å²	9	47.1 Å²	47.1	4%	0.039	22%	0.222	C	C	.	.	H	α-helix	trans	-63.7	-42.1	175.6	179.6	-89	0	0	0	112	I664 A665 H666 R672 F679 N685 W688 Y689 F692	I664-F668 WeakPolarHBondContact O-CB 3.23Å; I664-F668 PolarHBondContact O-N 3.13Å; A665-F668 CarbonylContact O-C 3.58Å; A665-F668 WeakPolarHBondContact O-CB 3.27Å; A665-F668 PolarHBondContact O-N 2.73Å; A665-F668 VanDerWaalsContact O-N 3.17Å; H666-F668 VanDerWaalsContact C-N 3.34Å; H666-F668 PolarHBondContact O-N 3.28Å; F668-R672 HydrophobicContact CE1-CB 4.47Å; F668-R672 WeakPolarHBondContact O-CB 3.44Å; F668-R672 PolarHBondContact O-N 3.41Å; F668-F679 HydrophobicContact CD2-CD1 4.42Å; F668-F679 AromaticContact CD2-CE1 3.82Å; F668-F679 HydrophobicContact CD2-CE1 3.82Å; F668-F679 AromaticContact CE2-CD1 3.63Å; F668-F679 HydrophobicContact CE2-CD1 3.63Å; F668-F679 AromaticContact CE2-CE1 3.44Å; F668-F679 HydrophobicContact CE2-CE1 3.44Å; F668-F679 VanDerWaalsContact CE2-CE1 3.44Å; F668-F679 AromaticContact CZ-CD1 3.69Å; F668-F679 HydrophobicContact CZ-CD1 3.69Å; F668-F679 AromaticContact CZ-CE1 3.93Å; F668-F679 HydrophobicContact CZ-CE1 3.93Å; F668-N685 HydrophobicContact CE2-CB 4.17Å; F668-N685 WeakPolarHBondContact CE2-O 3.27Å; F668-N685 HydrophobicContact CZ-CB 4.09Å; F668-W688 HydrophobicContact CD2-CB 4.16Å; F668-W688 HydrophobicContact CE2-CB 4.16Å; F668-Y689 HydrophobicContact CB-CE1 4.11Å; F668-Y689 HydrophobicContact CB-CE2 4.23Å; F668-Y689 HydrophobicContact CD1-CD2 4.33Å; F668-Y689 AromaticContact CD1-CE2 3.47Å; F668-Y689 HydrophobicContact CD1-CE2 3.47Å; F668-Y689 VanDerWaalsContact CD1-CE2 3.47Å; F668-Y689 AromaticContact CD1-CZ 3.64Å; F668-Y689 AromaticContact CD2-CD2 3.39Å; F668-Y689 HydrophobicContact CD2-CD2 3.39Å; F668-Y689 AromaticContact CD2-CE2 3.41Å; F668-Y689 HydrophobicContact CD2-CE2 3.41Å; F668-Y689 VanDerWaalsContact CD2-CE2 3.41Å; F668-Y689 AromaticContact CD2-CG 3.98Å; F668-Y689 HydrophobicContact CD2-CG 3.98Å; F668-Y689 HydrophobicContact CE1-CD2 4.36Å; F668-Y689 AromaticContact CE1-CE2 3.55Å; F668-Y689 HydrophobicContact CE1-CE2 3.55Å; F668-Y689 AromaticContact CE2-CD2 3.42Å; F668-Y689 HydrophobicContact CE2-CD2 3.42Å; F668-Y689 VanDerWaalsContact CE2-CD2 3.42Å; F668-Y689 AromaticContact CE2-CE2 3.48Å; F668-Y689 HydrophobicContact CE2-CE2 3.48Å; F668-Y689 VanDerWaalsContact CE2-CE2 3.48Å; F668-Y689 HydrophobicContact CE2-CG 4.38Å; F668-Y689 AromaticContact CG-CD2 3.88Å; F668-Y689 HydrophobicContact CG-CD2 3.88Å; F668-Y689 HydrophobicContact CG-CE1 4.18Å; F668-Y689 AromaticContact CG-CE2 3.41Å; F668-Y689 HydrophobicContact CG-CE2 3.41Å; F668-Y689 VanDerWaalsContact CG-CE2 3.41Å; F668-Y689 HydrophobicContact CG-CG 4.43Å; F668-Y689 AromaticContact CG-CZ 3.58Å; F668-Y689 AromaticContact CZ-CD2 3.94Å; F668-Y689 HydrophobicContact CZ-CD2 3.94Å; F668-Y689 AromaticContact CZ-CE2 3.56Å; F668-Y689 HydrophobicContact CZ-CE2 3.56Å; F668-F692 HydrophobicContact CB-CD2 3.93Å; F668-F692 HydrophobicContact CB-CE2 4.17Å; F668-F692 HydrophobicContact CD2-CD2 4.26Å; F668-F692 HydrophobicContact CD2-CE2 4.13Å
669	H	86.7	Confident	86.8	Confident	53 Å²	53	47.9 Å²	47.9	25%	0.245	23%	0.226	C	C	.	.	H	α-helix	trans	-63.2	-56.1	179.4	-170.9	93.4	0	0	0	112.3	A665 H666 M671 R672 E673 E832 P833	A665-H669 WeakPolarHBondContact O-CB 3.37Å; A665-H669 PolarHBondContact O-N 2.77Å; H666-H669 PolarHBondContact O-N 3.24Å; H669-M671 PolarHBondContact O-N 3.38Å; H669-R672 PolarHBondContact CE1-NH2 3.44Å; H669-R672 PolarHBondContact ND1-NH2 3.03Å; H669-R672 WeakPolarHBondContact O-CA 3.46Å; H669-R672 WeakPolarHBondContact O-CB 3.39Å; H669-R672 PolarHBondContact O-N 3.27Å; H669-E673 IonicContact CD2-OE1 2.68Å; H669-E673 IonicContact CD2-OE2 3.9Å; H669-E673 PolarHBondContact CD2-OE2 3.49Å; H669-E673 VanDerWaalsContact CD2-OE2 3.23Å; H669-E673 IonicContact CE1-OE1 2.66Å; H669-E673 IonicContact NE2-OE1 3.08Å; H669-E673 PolarHBondContact NE2-OE1 3.43Å; H669-E673 IonicContact NE2-OE2 2.67Å; H669-E673 PolarHBondContact NE2-OE2 3.42Å; H669-E673 PolarHBondContact O-N 3.29Å; H669-E832 IonicContact CE1-OE2 3.23Å; H669-E832 PolarHBondContact CE1-OE2 2.87Å; H669-E832 IonicContact ND1-OE2 3.74Å; H669-E832 PolarHBondContact ND1-OE2 3.18Å; H669-P833 HydrophobicContact CB-CG 3.62Å
670	M	86.8	Confident	85.7	Confident	88 Å²	88	52.1 Å²	52.1	43%	0.433	25%	0.249	S	C	.	.	H	α-helix	trans	-55.6	-39.7	178.2	-69.4	-174.2	-69.4	0	0	112.2	H666 K674	H666-M670 WeakPolarHBondContact O-CG 3.38Å; H666-M670 PolarHBondContact O-N 2.87Å; M670-K674 VanDerWaalsContact O-CB 3.22Å; M670-K674 WeakPolarHBondContact O-CB 3.37Å; M670-K674 PolarHBondContact O-N 3.08Å
671	M	85.6	Confident	85	Confident	56 Å²	56	54.2 Å²	54.2	28%	0.276	26%	0.263	S	S	.	.	H	α-helix	trans	-72.7	-33.6	177.4	-74.2	-72.7	-76.7	0	0	112.7	R667 H669 H675 F679 F692	R667-M671 WeakPolarHBondContact O-CB 3.34Å; R667-M671 WeakPolarHBondContact O-CG 3.45Å; R667-M671 PolarHBondContact O-N 3.29Å; H669-M671 PolarHBondContact O-N 3.38Å; M671-H675 PolarHBondContact O-N 2.93Å; M671-F679 VanDerWaalsContact C-CE2 3.47Å; M671-F679 HydrophobicContact CB-CE2 4.2Å; M671-F679 HydrophobicContact CB-CZ 3.83Å; M671-F679 WeakPolarHBondContact O-CE2 3.27Å; M671-F692 HydrophobicContact CB-CE2 4.28Å; M671-F692 HydrophobicContact CB-CZ 3.86Å; M671-F692 HydrophobicContact CE-CZ 4.27Å; M671-F692 HydrophobicContact CG-CE1 4.2Å; M671-F692 HydrophobicContact CG-CE2 4.48Å; M671-F692 HydrophobicContact CG-CZ 3.72Å
672	R	83.6	Confident	84.4	Confident	76 Å²	76	56 Å²	56	29%	0.287	27%	0.269	S	S	.	.	H	α-helix	trans	-64.6	-40.9	174	174.8	178.6	70.7	167.5	2.9	111.8	F668 H669 P676 F679 E832	F668-R672 HydrophobicContact CE1-CB 4.47Å; F668-R672 WeakPolarHBondContact O-CB 3.44Å; F668-R672 PolarHBondContact O-N 3.41Å; H669-R672 PolarHBondContact CE1-NH2 3.44Å; H669-R672 PolarHBondContact ND1-NH2 3.03Å; H669-R672 WeakPolarHBondContact O-CA 3.46Å; H669-R672 WeakPolarHBondContact O-CB 3.39Å; H669-R672 PolarHBondContact O-N 3.27Å; R672-P676 VanDerWaalsContact O-CA 3.32Å; R672-P676 WeakPolarHBondContact O-CA 3.41Å; R672-F679 HydrophobicContact CB-CD1 4.29Å; R672-F679 HydrophobicContact CB-CD2 4.3Å; R672-F679 HydrophobicContact CB-CE1 4.49Å; R672-F679 HydrophobicContact CB-CG 4.2Å; R672-F679 HydrophobicContact CG-CB 4.48Å; R672-F679 HydrophobicContact CG-CG 4.39Å; R672-E832 IonicContact CZ-OE1 3.41Å; R672-E832 IonicContact CZ-OE2 2.74Å; R672-E832 IonicContact NH1-OE1 3.67Å; R672-E832 PolarHBondContact NH1-OE1 3.29Å; R672-E832 IonicContact NH2-OE1 2.79Å; R672-E832 PolarHBondContact NH2-OE1 3.19Å; R672-E832 VanDerWaalsContact NH2-OE1 3.15Å; R672-E832 IonicContact NH2-OE2 2.71Å; R672-E832 PolarHBondContact NH2-OE2 3.19Å
673	E	82.2	Confident	83.8	Confident	118 Å²	118	63.6 Å²	63.6	55%	0.551	31%	0.307	S	S	*	.	H	α-helix	trans	-73.4	-43.9	177	-68.7	179.4	143.9	0	0	112.5	H669 H675 P676	H669-E673 IonicContact CD2-OE1 2.68Å; H669-E673 IonicContact CD2-OE2 3.9Å; H669-E673 PolarHBondContact CD2-OE2 3.49Å; H669-E673 VanDerWaalsContact CD2-OE2 3.23Å; H669-E673 IonicContact CE1-OE1 2.66Å; H669-E673 IonicContact NE2-OE1 3.08Å; H669-E673 PolarHBondContact NE2-OE1 3.43Å; H669-E673 IonicContact NE2-OE2 2.67Å; H669-E673 PolarHBondContact NE2-OE2 3.42Å; H669-E673 PolarHBondContact O-N 3.29Å; E673-H675 VanDerWaalsContact C-N 3.33Å; E673-H675 PolarHBondContact O-N 3.3Å; E673-P676 WeakPolarHBondContact O-CD 3.4Å
674	K	86.1	Confident	83.2	Confident	158 Å²	158	67.6 Å²	67.6	69%	0.687	32%	0.322	S	S	*	.	H	α-helix	trans	-71.4	-25.9	-178.5	-169.9	171.6	-176.9	169.9	0	113.7	M670	M670-K674 VanDerWaalsContact O-CB 3.22Å; M670-K674 WeakPolarHBondContact O-CB 3.37Å; M670-K674 PolarHBondContact O-N 3.08Å
675	H	84	Confident	82.9	Confident	53 Å²	53	67.9 Å²	67.9	25%	0.245	32%	0.324	C	S	.	.			trans	-142.6	56.8	-174.2	-64.3	-56.9	0	0	0	113.7	M671 E673 E677 K678 F679	M671-H675 PolarHBondContact O-N 2.93Å; E673-H675 VanDerWaalsContact C-N 3.33Å; E673-H675 PolarHBondContact O-N 3.3Å; H675-E677 WeakPolarHBondContact CA-OE2 3.42Å; H675-E677 IonicContact CG-OE1 3.35Å; H675-E677 IonicContact ND1-OE1 2.82Å; H675-E677 PolarHBondContact O-N 2.92Å; H675-K678 HydrophobicContact CB-CB 4.49Å; H675-K678 HydrophobicContact CB-CD 3.7Å; H675-K678 HydrophobicContact CB-CG 4.22Å; H675-K678 PolarHBondContact CD2-NZ 3.15Å; H675-K678 PolarHBondContact CE1-NZ 3.28Å; H675-K678 PolarHBondContact ND1-NZ 3.14Å; H675-K678 VanDerWaalsContact ND1-NZ 3.19Å; H675-K678 PolarHBondContact NE2-NZ 3.01Å; H675-K678 WeakPolarHBondContact O-CB 3.38Å; H675-K678 PolarHBondContact O-N 2.84Å; H675-F679 VanDerWaalsContact O-CD2 3.3Å; H675-F679 WeakPolarHBondContact O-CD2 3.12Å
676	P	80.1	Confident	82.4	Confident	83 Å²	83	72.3 Å²	72.3	54%	0.539	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-59.2	-24.8	-172.9	25.8	-35.5	0	0	0	113.5	R672 E673 K678 F679	R672-P676 VanDerWaalsContact O-CA 3.32Å; R672-P676 WeakPolarHBondContact O-CA 3.41Å; E673-P676 WeakPolarHBondContact O-CD 3.4Å; P676-K678 PolarHBondContact O-N 3.1Å; P676-F679 PolarHBondContact O-N 3.45Å
677	E	80.8	Confident	82	Confident	104 Å²	104	75.8 Å²	75.8	49%	0.486	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-62.1	-27	175	79.8	-66	163.3	0	0	113.3	H675 N680	H675-E677 WeakPolarHBondContact CA-OE2 3.42Å; H675-E677 IonicContact CG-OE1 3.35Å; H675-E677 IonicContact ND1-OE1 2.82Å; H675-E677 PolarHBondContact O-N 2.92Å; E677-N680 PolarHBondContact O-ND2 2.97Å
678	K	80.7	Confident	81.8	Confident	73 Å²	73	76 Å²	76	32%	0.317	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-78.9	-23.9	177.9	-65.5	171.6	-166.1	150.9	0	112.4	H675 P676 N680 K684 W688	H675-K678 HydrophobicContact CB-CB 4.49Å; H675-K678 HydrophobicContact CB-CD 3.7Å; H675-K678 HydrophobicContact CB-CG 4.22Å; H675-K678 PolarHBondContact CD2-NZ 3.15Å; H675-K678 PolarHBondContact CE1-NZ 3.28Å; H675-K678 PolarHBondContact ND1-NZ 3.14Å; H675-K678 VanDerWaalsContact ND1-NZ 3.19Å; H675-K678 PolarHBondContact NE2-NZ 3.01Å; H675-K678 WeakPolarHBondContact O-CB 3.38Å; H675-K678 PolarHBondContact O-N 2.84Å; P676-K678 PolarHBondContact O-N 3.1Å; K678-N680 PolarHBondContact O-N 2.96Å; K678-K684 WeakPolarHBondContact O-CD 3.31Å; K678-W688 HydrophobicContact CB-CZ2 4.48Å; K678-W688 HydrophobicContact CD-CZ2 4.33Å
679	F	77.6	Confident	81.5	Confident	17 Å²	17	78.8 Å²	78.8	8%	0.075	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-97.3	23	-171.7	-66.2	-94.7	0	0	0	114	F668 M671 R672 H675 P676 S681 N685 W688	F668-F679 HydrophobicContact CD2-CD1 4.42Å; F668-F679 AromaticContact CD2-CE1 3.82Å; F668-F679 HydrophobicContact CD2-CE1 3.82Å; F668-F679 AromaticContact CE2-CD1 3.63Å; F668-F679 HydrophobicContact CE2-CD1 3.63Å; F668-F679 AromaticContact CE2-CE1 3.44Å; F668-F679 HydrophobicContact CE2-CE1 3.44Å; F668-F679 VanDerWaalsContact CE2-CE1 3.44Å; F668-F679 AromaticContact CZ-CD1 3.69Å; F668-F679 HydrophobicContact CZ-CD1 3.69Å; F668-F679 AromaticContact CZ-CE1 3.93Å; F668-F679 HydrophobicContact CZ-CE1 3.93Å; M671-F679 VanDerWaalsContact C-CE2 3.47Å; M671-F679 HydrophobicContact CB-CE2 4.2Å; M671-F679 HydrophobicContact CB-CZ 3.83Å; M671-F679 WeakPolarHBondContact O-CE2 3.27Å; R672-F679 HydrophobicContact CB-CD1 4.29Å; R672-F679 HydrophobicContact CB-CD2 4.3Å; R672-F679 HydrophobicContact CB-CE1 4.49Å; R672-F679 HydrophobicContact CB-CG 4.2Å; R672-F679 HydrophobicContact CG-CB 4.48Å; R672-F679 HydrophobicContact CG-CG 4.39Å; H675-F679 VanDerWaalsContact O-CD2 3.3Å; H675-F679 WeakPolarHBondContact O-CD2 3.12Å; P676-F679 PolarHBondContact O-N 3.45Å; F679-S681 VanDerWaalsContact C-N 3.3Å; F679-S681 PolarHBondContact O-N 3.48Å; F679-N685 WeakPolarHBondContact CA-OD1 3.19Å; F679-N685 PolarHBondContact O-ND2 3.43Å; F679-N685 PolarHBondContact O-OD1 2.65Å; F679-N685 VanDerWaalsContact O-OD1 3.07Å; F679-W688 AromaticContact CD1-CD1 3.81Å; F679-W688 HydrophobicContact CD1-CG 4.48Å; F679-W688 HydrophobicContact CE1-CB 3.86Å; F679-W688 AromaticContact CE1-CD1 3.36Å; F679-W688 HydrophobicContact CE1-CD2 4.45Å; F679-W688 AromaticContact CE1-CG 3.65Å; F679-W688 HydrophobicContact CE1-CG 3.65Å; F679-W688 HydrophobicContact CZ-CB 4.42Å; F679-W688 AromaticContact CZ-CD1 3.68Å; F679-W688 HydrophobicContact CZ-CD2 4.22Å; F679-W688 AromaticContact CZ-CG 3.89Å; F679-W688 HydrophobicContact CZ-CG 3.89Å; F679-W688 AromaticContact CZ-NE1 3.9Å
680	N	71.4	Confident	81.2	Confident	90 Å²	90	82.7 Å²	82.7	48%	0.481	39%	0.39	S	S	.	.			trans	-79.5	5.7	-174.3	64	17	0	0	0	116.1	E677 K678 K684	E677-N680 PolarHBondContact O-ND2 2.97Å; K678-N680 PolarHBondContact O-N 2.96Å; N680-K684 PolarHBondContact OD1-NZ 2.94Å
681	S	77.7	Confident	81.1	Confident	44 Å²	44	82.6 Å²	82.6	31%	0.308	39%	0.388	S	S	.	.	S	Bend	trans	-148.7	131	-177.6	172	0	0	0	0	112.6	F679 M683 K684 N685	F679-S681 VanDerWaalsContact C-N 3.3Å; F679-S681 PolarHBondContact O-N 3.48Å; S681-M683 PolarHBondContact O-N 3.03Å; S681-M683 VanDerWaalsContact O-N 3.07Å; S681-K684 WeakPolarHBondContact O-CB 3.26Å; S681-K684 PolarHBondContact O-N 3.35Å; S681-N685 PolarHBondContact O-N 3.46Å; S681-N685 PolarHBondContact O-OD1 2.91Å
682	R	78.4	Confident	81.1	Confident	44 Å²	44	80.8 Å²	80.8	17%	0.166	38%	0.379	C	S	.	.	H	α-helix	trans	-52.3	-35.3	179.3	-59	-166.3	-61.5	-135.6	2.2	113.3	G593 T594 Y608 E609 K686	G593-R682 WeakPolarHBondContact O-CD 3.44Å; T594-R682 HydrophobicContact CG2-CB 4.39Å; Y608-R682 PolarHBondContact O-NH1 3.31Å; Y608-R682 PolarHBondContact O-NH2 3.34Å; E609-R682 IonicContact OE1-NH2 2.69Å; E609-R682 PolarHBondContact OE1-NH2 2.99Å; R682-K686 WeakPolarHBondContact O-CG 3.3Å; R682-K686 PolarHBondContact O-N 2.75Å
683	M	79	Confident	81	Confident	159 Å²	159	77.9 Å²	77.9	78%	0.783	37%	0.373	S	S	*	.	H	α-helix	trans	-70.2	-42.5	178	-68.2	179.1	70.4	0	0	112.3	S681 N685 L687	S681-M683 PolarHBondContact O-N 3.03Å; S681-M683 VanDerWaalsContact O-N 3.07Å; M683-N685 VanDerWaalsContact C-N 3.35Å; M683-L687 PolarHBondContact O-N 3.19Å; M683-L687 VanDerWaalsContact O-N 3.12Å
684	K	81.5	Confident	80.8	Confident	96 Å²	96	75.1 Å²	75.1	42%	0.417	36%	0.364	S	S	.	.	H	α-helix	trans	-63.7	-43.2	173.8	-65.7	-179.5	-177.7	173.3	0	110.8	K678 N680 S681 K686 L687 W688	K678-K684 WeakPolarHBondContact O-CD 3.31Å; N680-K684 PolarHBondContact OD1-NZ 2.94Å; S681-K684 WeakPolarHBondContact O-CB 3.26Å; S681-K684 PolarHBondContact O-N 3.35Å; K684-K686 VanDerWaalsContact C-N 3.33Å; K684-K686 PolarHBondContact O-N 2.8Å; K684-L687 WeakPolarHBondContact O-CA 3.37Å; K684-L687 WeakPolarHBondContact O-CB 3.11Å; K684-L687 PolarHBondContact O-N 3.02Å; K684-W688 VanDerWaalsContact O-CD1 3.31Å; K684-W688 PolarHBondContact O-N 3.26Å
685	N	82.1	Confident	80.5	Confident	15 Å²	15	70 Å²	70	8%	0.08	35%	0.346	C	S	.	.	H	α-helix	trans	-65.1	-38.4	-176.7	-62.1	13.8	0	0	0	111.1	T594 F668 F679 S681 M683 W688 Y689	T594-N685 HydrophobicContact CG2-CB 3.78Å; F668-N685 HydrophobicContact CE2-CB 4.17Å; F668-N685 WeakPolarHBondContact CE2-O 3.27Å; F668-N685 HydrophobicContact CZ-CB 4.09Å; F679-N685 WeakPolarHBondContact CA-OD1 3.19Å; F679-N685 PolarHBondContact O-ND2 3.43Å; F679-N685 PolarHBondContact O-OD1 2.65Å; F679-N685 VanDerWaalsContact O-OD1 3.07Å; S681-N685 PolarHBondContact O-N 3.46Å; S681-N685 PolarHBondContact O-OD1 2.91Å; M683-N685 VanDerWaalsContact C-N 3.35Å; N685-W688 PolarHBondContact O-N 3.25Å; N685-Y689 PolarHBondContact O-N 2.98Å; N685-Y689 VanDerWaalsContact O-N 3.09Å
686	K	80.4	Confident	80.4	Confident	98 Å²	98	67.5 Å²	67.5	43%	0.426	33%	0.334	S	S	.	.	H	α-helix	trans	-66.9	-35	170.9	-72.9	-171.4	177.7	-160.8	0	113.2	T594 R682 K684 Y689 F690	T594-K686 HydrophobicContact CG2-CG 3.94Å; R682-K686 WeakPolarHBondContact O-CG 3.3Å; R682-K686 PolarHBondContact O-N 2.75Å; K684-K686 VanDerWaalsContact C-N 3.33Å; K684-K686 PolarHBondContact O-N 2.8Å; K686-Y689 PolarHBondContact O-N 3.07Å; K686-F690 PolarHBondContact O-N 2.66Å; K686-F690 VanDerWaalsContact O-N 3.12Å
687	L	82.8	Confident	80.1	Confident	108 Å²	108	65.8 Å²	65.8	57%	0.565	32%	0.323	S	S	*	.	H	α-helix	trans	-66.7	-42.2	174.3	-175.4	62.4	0	0	0	111.7	M683 K684 Y689 F690 E691	M683-L687 PolarHBondContact O-N 3.19Å; M683-L687 VanDerWaalsContact O-N 3.12Å; K684-L687 WeakPolarHBondContact O-CA 3.37Å; K684-L687 WeakPolarHBondContact O-CB 3.11Å; K684-L687 PolarHBondContact O-N 3.02Å; L687-Y689 PolarHBondContact O-N 2.93Å; L687-F690 WeakPolarHBondContact O-CB 3.48Å; L687-F690 PolarHBondContact O-N 2.68Å; L687-E691 PolarHBondContact O-N 3.45Å
688	W	82.6	Confident	79.7	Confident	53 Å²	53	67.9 Å²	67.9	20%	0.201	34%	0.336	C	S	.	.	H	α-helix	trans	-59.5	-44.5	173.2	-76.6	126	0	0	0	112.3	F668 K678 F679 K684 N685 F690 E691 F692	F668-W688 HydrophobicContact CD2-CB 4.16Å; F668-W688 HydrophobicContact CE2-CB 4.16Å; K678-W688 HydrophobicContact CB-CZ2 4.48Å; K678-W688 HydrophobicContact CD-CZ2 4.33Å; F679-W688 AromaticContact CD1-CD1 3.81Å; F679-W688 HydrophobicContact CD1-CG 4.48Å; F679-W688 HydrophobicContact CE1-CB 3.86Å; F679-W688 AromaticContact CE1-CD1 3.36Å; F679-W688 HydrophobicContact CE1-CD2 4.45Å; F679-W688 AromaticContact CE1-CG 3.65Å; F679-W688 HydrophobicContact CE1-CG 3.65Å; F679-W688 HydrophobicContact CZ-CB 4.42Å; F679-W688 AromaticContact CZ-CD1 3.68Å; F679-W688 HydrophobicContact CZ-CD2 4.22Å; F679-W688 AromaticContact CZ-CG 3.89Å; F679-W688 HydrophobicContact CZ-CG 3.89Å; F679-W688 AromaticContact CZ-NE1 3.9Å; K684-W688 VanDerWaalsContact O-CD1 3.31Å; K684-W688 PolarHBondContact O-N 3.26Å; N685-W688 PolarHBondContact O-N 3.25Å; W688-F690 VanDerWaalsContact C-N 3.31Å; W688-F690 PolarHBondContact O-N 2.85Å; W688-E691 PolarHBondContact O-N 3.18Å; W688-F692 HydrophobicContact CB-CD2 4.38Å; W688-F692 HydrophobicContact CB-CE2 3.85Å; W688-F692 HydrophobicContact CB-CZ 4.41Å; W688-F692 HydrophobicContact CD2-CZ 4.29Å; W688-F692 HydrophobicContact CE3-CE1 4.14Å; W688-F692 HydrophobicContact CE3-CE2 4.29Å; W688-F692 AromaticContact CE3-CZ 3.7Å; W688-F692 HydrophobicContact CE3-CZ 3.7Å; W688-F692 HydrophobicContact CG-CE2 4.46Å; W688-F692 HydrophobicContact CZ3-CZ 4.36Å; W688-F692 WeakPolarHBondContact O-CD2 3.41Å; W688-F692 VanDerWaalsContact O-CG 3.29Å; W688-F692 WeakPolarHBondContact O-CG 3.47Å; W688-F692 PolarHBondContact O-N 3.29Å
689	Y	81.3	Confident	79.4	Confident	69 Å²	69	67.5 Å²	67.5	27%	0.271	34%	0.342	S	S	.	.	H	α-helix	trans	-57.4	-42.5	173.6	-99.4	-73.9	0	0	0	112.7	I664 F668 N685 K686 L687 G693	I664-Y689 HydrophobicContact CG2-CD1 3.93Å; I664-Y689 HydrophobicContact CG2-CE1 4.33Å; F668-Y689 HydrophobicContact CB-CE1 4.11Å; F668-Y689 HydrophobicContact CB-CE2 4.23Å; F668-Y689 HydrophobicContact CD1-CD2 4.33Å; F668-Y689 AromaticContact CD1-CE2 3.47Å; F668-Y689 HydrophobicContact CD1-CE2 3.47Å; F668-Y689 VanDerWaalsContact CD1-CE2 3.47Å; F668-Y689 AromaticContact CD1-CZ 3.64Å; F668-Y689 AromaticContact CD2-CD2 3.39Å; F668-Y689 HydrophobicContact CD2-CD2 3.39Å; F668-Y689 AromaticContact CD2-CE2 3.41Å; F668-Y689 HydrophobicContact CD2-CE2 3.41Å; F668-Y689 VanDerWaalsContact CD2-CE2 3.41Å; F668-Y689 AromaticContact CD2-CG 3.98Å; F668-Y689 HydrophobicContact CD2-CG 3.98Å; F668-Y689 HydrophobicContact CE1-CD2 4.36Å; F668-Y689 AromaticContact CE1-CE2 3.55Å; F668-Y689 HydrophobicContact CE1-CE2 3.55Å; F668-Y689 AromaticContact CE2-CD2 3.42Å; F668-Y689 HydrophobicContact CE2-CD2 3.42Å; F668-Y689 VanDerWaalsContact CE2-CD2 3.42Å; F668-Y689 AromaticContact CE2-CE2 3.48Å; F668-Y689 HydrophobicContact CE2-CE2 3.48Å; F668-Y689 VanDerWaalsContact CE2-CE2 3.48Å; F668-Y689 HydrophobicContact CE2-CG 4.38Å; F668-Y689 AromaticContact CG-CD2 3.88Å; F668-Y689 HydrophobicContact CG-CD2 3.88Å; F668-Y689 HydrophobicContact CG-CE1 4.18Å; F668-Y689 AromaticContact CG-CE2 3.41Å; F668-Y689 HydrophobicContact CG-CE2 3.41Å; F668-Y689 VanDerWaalsContact CG-CE2 3.41Å; F668-Y689 HydrophobicContact CG-CG 4.43Å; F668-Y689 AromaticContact CG-CZ 3.58Å; F668-Y689 AromaticContact CZ-CD2 3.94Å; F668-Y689 HydrophobicContact CZ-CD2 3.94Å; F668-Y689 AromaticContact CZ-CE2 3.56Å; F668-Y689 HydrophobicContact CZ-CE2 3.56Å; N685-Y689 PolarHBondContact O-N 2.98Å; N685-Y689 VanDerWaalsContact O-N 3.09Å; K686-Y689 PolarHBondContact O-N 3.07Å; L687-Y689 PolarHBondContact O-N 2.93Å; Y689-G693 PolarHBondContact O-N 3Å
690	F	81.4	Confident	79.4	Confident	135 Å²	135	67.2 Å²	67.2	59%	0.592	34%	0.343	S	S	*	.	H	α-helix	trans	-64.6	-45.3	175.7	178.3	-94.3	0	0	0	112	K686 L687 W688 G693 T694	K686-F690 PolarHBondContact O-N 2.66Å; K686-F690 VanDerWaalsContact O-N 3.12Å; L687-F690 WeakPolarHBondContact O-CB 3.48Å; L687-F690 PolarHBondContact O-N 2.68Å; W688-F690 VanDerWaalsContact C-N 3.31Å; W688-F690 PolarHBondContact O-N 2.85Å; F690-G693 PolarHBondContact O-N 3.16Å; F690-T694 HydrophobicContact CD1-CG2 4.4Å; F690-T694 HydrophobicContact CE1-CG2 3.95Å; F690-T694 HydrophobicContact CZ-CG2 4.03Å; F690-T694 PolarHBondContact O-N 2.93Å
691	E	84.8	Confident	79.7	Confident	86 Å²	86	66.3 Å²	66.3	40%	0.402	34%	0.34	S	S	.	.	H	α-helix	trans	-61.5	-46.1	177.5	-170.8	176.3	151.8	0	0	111.8	L687 W688 G693 T694 T695	L687-E691 PolarHBondContact O-N 3.45Å; W688-E691 PolarHBondContact O-N 3.18Å; E691-G693 VanDerWaalsContact C-N 3.31Å; E691-G693 PolarHBondContact O-N 3.38Å; E691-T694 PolarHBondContact O-N 3.25Å; E691-T694 PolarHBondContact O-OG1 3.33Å; E691-T695 WeakPolarHBondContact O-CG2 3.49Å; E691-T695 PolarHBondContact O-N 3.01Å
692	F	84.7	Confident	80	Confident	17 Å²	17	64.3 Å²	64.3	8%	0.075	33%	0.327	C	S	.	.	H	α-helix	trans	-63.8	-37.4	176.3	-59.8	-40.6	0	0	0	111.9	I664 R667 F668 M671 W688 T694 T695 E696	I664-F692 HydrophobicContact CG2-CB 4.16Å; R667-F692 HydrophobicContact CB-CB 4.34Å; R667-F692 HydrophobicContact CB-CD1 4.43Å; R667-F692 HydrophobicContact CB-CG 4.18Å; F668-F692 HydrophobicContact CB-CD2 3.93Å; F668-F692 HydrophobicContact CB-CE2 4.17Å; F668-F692 HydrophobicContact CD2-CD2 4.26Å; F668-F692 HydrophobicContact CD2-CE2 4.13Å; M671-F692 HydrophobicContact CB-CE2 4.28Å; M671-F692 HydrophobicContact CB-CZ 3.86Å; M671-F692 HydrophobicContact CE-CZ 4.27Å; M671-F692 HydrophobicContact CG-CE1 4.2Å; M671-F692 HydrophobicContact CG-CE2 4.48Å; M671-F692 HydrophobicContact CG-CZ 3.72Å; W688-F692 HydrophobicContact CB-CD2 4.38Å; W688-F692 HydrophobicContact CB-CE2 3.85Å; W688-F692 HydrophobicContact CB-CZ 4.41Å; W688-F692 HydrophobicContact CD2-CZ 4.29Å; W688-F692 HydrophobicContact CE3-CE1 4.14Å; W688-F692 HydrophobicContact CE3-CE2 4.29Å; W688-F692 AromaticContact CE3-CZ 3.7Å; W688-F692 HydrophobicContact CE3-CZ 3.7Å; W688-F692 HydrophobicContact CG-CE2 4.46Å; W688-F692 HydrophobicContact CZ3-CZ 4.36Å; W688-F692 WeakPolarHBondContact O-CD2 3.41Å; W688-F692 VanDerWaalsContact O-CG 3.29Å; W688-F692 WeakPolarHBondContact O-CG 3.47Å; W688-F692 PolarHBondContact O-N 3.29Å; F692-T694 PolarHBondContact O-N 2.96Å; F692-T695 PolarHBondContact O-N 3.39Å; F692-T695 PolarHBondContact O-OG1 2.94Å; F692-E696 PolarHBondContact O-N 3.1Å
693	G	80.8	Confident	80.3	Confident	15 Å²	15	67.6 Å²	67.6	16%	0.155	34%	0.342	C	S	.	.	H	α-helix	trans	-61.9	-38.6	171.8	0	0	0	0	0	114.5	Y689 F690 E691 E696 T697	Y689-G693 PolarHBondContact O-N 3Å; F690-G693 PolarHBondContact O-N 3.16Å; E691-G693 VanDerWaalsContact C-N 3.31Å; E691-G693 PolarHBondContact O-N 3.38Å; G693-E696 PolarHBondContact O-N 3.49Å; G693-T697 PolarHBondContact O-N 3.27Å; G693-T697 VanDerWaalsContact O-N 3.07Å; G693-T697 PolarHBondContact O-OG1 3.46Å
694	T	79.2	Confident	80.5	Confident	61 Å²	61	65.4 Å²	65.4	37%	0.374	33%	0.328	S	S	.	.	H	α-helix	trans	-71.4	-32.3	173.8	61.6	0	0	0	0	112.2	F690 E691 F692 T697	F690-T694 HydrophobicContact CD1-CG2 4.4Å; F690-T694 HydrophobicContact CE1-CG2 3.95Å; F690-T694 HydrophobicContact CZ-CG2 4.03Å; F690-T694 PolarHBondContact O-N 2.93Å; E691-T694 PolarHBondContact O-N 3.25Å; E691-T694 PolarHBondContact O-OG1 3.33Å; F692-T694 PolarHBondContact O-N 2.96Å; T694-T697 WeakPolarHBondContact O-CB 3.42Å
695	T	79.4	Confident	80.9	Confident	50 Å²	50	60.9 Å²	60.9	31%	0.307	31%	0.308	S	S	.	.	H	α-helix	trans	-69.3	-39.5	171.9	67.9	0	0	0	0	112.7	R667 E691 F692 T697 I698 S699	R667-T695 PolarHBondContact NH1-OG1 3.01Å; E691-T695 WeakPolarHBondContact O-CG2 3.49Å; E691-T695 PolarHBondContact O-N 3.01Å; F692-T695 PolarHBondContact O-N 3.39Å; F692-T695 PolarHBondContact O-OG1 2.94Å; T695-T697 VanDerWaalsContact C-N 3.3Å; T695-T697 PolarHBondContact O-N 3.39Å; T695-I698 PolarHBondContact O-N 3.23Å; T695-S699 PolarHBondContact O-N 2.86Å; T695-S699 PolarHBondContact O-OG 3.47Å
696	E	81.1	Confident	81.2	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-66.4	-33.6	177.6	-171.5	61.4	-108.5	0	0	111.5	V660 S663 I664 R667 F692 G693 I698 S699 A700 T701	V660-E696 HydrophobicContact CG2-CG 3.74Å; S663-E696 WeakPolarHBondContact CB-OE2 3.18Å; S663-E696 PolarHBondContact OG-OE2 3.49Å; I664-E696 HydrophobicContact CD1-CB 4.15Å; I664-E696 HydrophobicContact CD1-CG 4.42Å; I664-E696 HydrophobicContact CG1-CB 3.8Å; I664-E696 HydrophobicContact CG1-CG 4.14Å; R667-E696 IonicContact CZ-OE2 2.68Å; R667-E696 IonicContact NE-OE2 2.72Å; R667-E696 PolarHBondContact NE-OE2 2.92Å; R667-E696 IonicContact NH1-OE2 3.92Å; R667-E696 IonicContact NH2-OE1 3.48Å; R667-E696 PolarHBondContact NH2-OE1 3.14Å; R667-E696 IonicContact NH2-OE2 3.11Å; R667-E696 PolarHBondContact NH2-OE2 3.16Å; F692-E696 PolarHBondContact O-N 3.1Å; G693-E696 PolarHBondContact O-N 3.49Å; E696-I698 PolarHBondContact O-N 3.48Å; E696-I698 VanDerWaalsContact O-N 3.15Å; E696-S699 PolarHBondContact O-N 3.11Å; E696-A700 WeakPolarHBondContact O-CA 3.34Å; E696-A700 PolarHBondContact O-N 3.11Å; E696-A700 PolarHBondContact OE1-N 3.47Å; E696-T701 WeakPolarHBondContact OE1-CB 3.41Å; E696-T701 WeakPolarHBondContact OE1-CG2 3.46Å; E696-T701 PolarHBondContact OE1-N 2.99Å; E696-T701 PolarHBondContact OE1-OG1 2.87Å; E696-T701 PolarHBondContact OE2-OG1 3.39Å
697	T	75.4	Confident	81.6	Confident	48 Å²	48	62.9 Å²	62.9	29%	0.294	32%	0.32	S	S	.	.	H	α-helix	trans	-53.8	-33.4	170.2	-61.8	0	0	0	0	112.8	G693 T694 T695 A794 I795	G693-T697 PolarHBondContact O-N 3.27Å; G693-T697 VanDerWaalsContact O-N 3.07Å; G693-T697 PolarHBondContact O-OG1 3.46Å; T694-T697 WeakPolarHBondContact O-CB 3.42Å; T695-T697 VanDerWaalsContact C-N 3.3Å; T695-T697 PolarHBondContact O-N 3.39Å; T697-A794 WeakPolarHBondContact OG1-CB 3.5Å; T697-I795 HydrophobicContact CG2-CD1 3.69Å; T697-I795 HydrophobicContact CG2-CG1 3.42Å; T697-I795 VanDerWaalsContact CG2-CG1 3.42Å
698	I	71.7	Confident	82	Confident	148 Å²	148	58.2 Å²	58.2	76%	0.759	30%	0.296	S	S	*	.	H	α-helix	trans	-89.1	-42.4	-178.4	-59	168.4	0	0	0	110.9	T695 E696	T695-I698 PolarHBondContact O-N 3.23Å; E696-I698 PolarHBondContact O-N 3.48Å; E696-I698 VanDerWaalsContact O-N 3.15Å
699	S	74	Confident	82.6	Confident	65 Å²	65	56.3 Å²	56.3	46%	0.455	29%	0.29	S	S	.	.	H	α-helix	trans	-69.1	-38.5	177.8	-51.4	0	0	0	0	112.9	R667 T695 E696 T701	R667-S699 PolarHBondContact NH1-OG 2.91Å; R667-S699 PolarHBondContact NH2-OG 2.99Å; T695-S699 PolarHBondContact O-N 2.86Å; T695-S699 PolarHBondContact O-OG 3.47Å; E696-S699 PolarHBondContact O-N 3.11Å; S699-T701 VanDerWaalsContact C-N 3.28Å; S699-T701 PolarHBondContact O-N 3.31Å
700	A	78.3	Confident	83.3	Confident	10 Å²	10	57 Å²	57	8%	0.083	30%	0.296	C	S	.	.			trans	45.6	46.5	-178.9	0	0	0	0	0	114.2	E696 C702 K703	E696-A700 WeakPolarHBondContact O-CA 3.34Å; E696-A700 PolarHBondContact O-N 3.11Å; E696-A700 PolarHBondContact OE1-N 3.47Å; A700-C702 PolarHBondContact O-N 3.46Å; A700-K703 HydrophobicContact CB-CD 3.59Å; A700-K703 VanDerWaalsContact CB-CE 3.42Å; A700-K703 HydrophobicContact CB-CG 3.99Å; A700-K703 PolarHBondContact O-N 3.33Å
701	T	77.5	Confident	84.1	Confident	71 Å²	71	50.6 Å²	50.6	44%	0.436	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-30.3	-170.7	55.2	0	0	0	0	113.5	E696 S699	E696-T701 WeakPolarHBondContact OE1-CB 3.41Å; E696-T701 WeakPolarHBondContact OE1-CG2 3.46Å; E696-T701 PolarHBondContact OE1-N 2.99Å; E696-T701 PolarHBondContact OE1-OG1 2.87Å; E696-T701 PolarHBondContact OE2-OG1 3.39Å; S699-T701 VanDerWaalsContact C-N 3.28Å; S699-T701 PolarHBondContact O-N 3.31Å
702	C	83.5	Confident	84.7	Confident	3 Å²	3	48.4 Å²	48.4	2%	0.02	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	11.9	-172.8	-60.5	0	0	0	0	113.9	G659 V660 A700 E726	G659-C702 VanDerWaalsContact CA-SG 3.57Å; V660-C702 HydrophobicContact CB-CB 4.34Å; A700-C702 PolarHBondContact O-N 3.46Å; C702-E726 VanDerWaalsContact CB-O 3.22Å; C702-E726 WeakPolarHBondContact CB-O 3.46Å
703	K	84.4	Confident	85.3	Confident	113 Å²	113	47.6 Å²	47.6	49%	0.491	25%	0.254	S	S	.	.			trans	-51.2	149	177.9	-89.4	175.7	172.8	149.7	0	113.6	A700 L705 E726 R823	A700-K703 HydrophobicContact CB-CD 3.59Å; A700-K703 VanDerWaalsContact CB-CE 3.42Å; A700-K703 HydrophobicContact CB-CG 3.99Å; A700-K703 PolarHBondContact O-N 3.33Å; K703-L705 VanDerWaalsContact C-N 3.34Å; K703-L705 PolarHBondContact O-N 3.43Å; K703-E726 WeakPolarHBondContact CE-OE1 3.32Å; K703-E726 HydrophobicContact CG-CG 4.13Å; K703-E726 WeakPolarHBondContact CG-OE1 3.42Å; K703-R823 PolarHBondContact O-NH1 3.04Å; K703-R823 PolarHBondContact O-NH2 3.07Å
704	K	84.2	Confident	86	Confident	112 Å²	112	49.1 Å²	49.1	49%	0.487	26%	0.258	S	S	.	.			trans	57.1	43.2	-179.7	-65.6	158	148.9	-77.4	0	112	N706 E707	K704-N706 PolarHBondContact O-N 2.89Å; K704-E707 HydrophobicContact CB-CB 4.2Å; K704-E707 HydrophobicContact CB-CG 4.08Å; K704-E707 WeakPolarHBondContact CD-OE2 3.25Å; K704-E707 IonicContact NZ-OE1 3.57Å; K704-E707 PolarHBondContact NZ-OE1 3.05Å; K704-E707 IonicContact NZ-OE2 1.94Å; K704-E707 PolarHBondContact NZ-OE2 3.43Å; K704-E707 PolarHBondContact O-N 3.15Å
705	L	89.4	Confident	86.7	Confident	1 Å²	1	48.8 Å²	48.8	1%	0.005	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-61.2	-34.6	179.9	-166.8	68.6	0	0	0	111.4	K703 E707 C708 I709 L725 G727 I728 L825	K703-L705 VanDerWaalsContact C-N 3.34Å; K703-L705 PolarHBondContact O-N 3.43Å; L705-E707 PolarHBondContact O-N 3.23Å; L705-C708 PolarHBondContact O-N 3.5Å; L705-C708 VanDerWaalsContact O-N 3.11Å; L705-C708 PolarHBondContact O-SG 3.02Å; L705-I709 HydrophobicContact CD1-CD1 3.68Å; L705-I709 HydrophobicContact CD1-CG1 4.12Å; L705-I709 HydrophobicContact CD2-CD1 4.06Å; L705-I709 HydrophobicContact CG-CD1 3.71Å; L705-I709 HydrophobicContact CG-CG1 4.16Å; L705-I709 PolarHBondContact O-N 2.78Å; L705-I709 VanDerWaalsContact O-N 3.13Å; L705-L725 HydrophobicContact CB-CB 4.27Å; L705-L725 VanDerWaalsContact CB-O 3.23Å; L705-L725 WeakPolarHBondContact CB-O 3.39Å; L705-L725 PolarHBondContact N-O 3.39Å; L705-G727 VanDerWaalsContact CD2-CA 3.45Å; L705-I728 HydrophobicContact CD2-CD1 4.31Å; L705-I728 HydrophobicContact CD2-CG1 4.1Å; L705-L825 HydrophobicContact CD1-CD1 3.88Å; L705-L825 HydrophobicContact CD1-CD2 3.67Å; L705-L825 HydrophobicContact CD1-CG 4.46Å
706	N	88.3	Confident	87.5	Confident	33 Å²	33	50 Å²	50	18%	0.176	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-65.4	-12	173.7	66	-55.5	0	0	0	114.7	K704 L720 I723	K704-N706 PolarHBondContact O-N 2.89Å; N706-L720 HydrophobicContact CB-CB 3.95Å; N706-L720 PolarHBondContact ND2-O 3.23Å; N706-I723 WeakPolarHBondContact CB-O 3.33Å; N706-I723 VanDerWaalsContact CG-O 3.22Å; N706-I723 PolarHBondContact ND2-O 2.81Å
707	E	89.3	Confident	88.2	Confident	122 Å²	122	54.6 Å²	54.6	57%	0.57	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-93.4	-2.6	173.8	-63.8	175.2	-168.1	0	0	112.6	K704 L705	K704-E707 HydrophobicContact CB-CB 4.2Å; K704-E707 HydrophobicContact CB-CG 4.08Å; K704-E707 WeakPolarHBondContact CD-OE2 3.25Å; K704-E707 IonicContact NZ-OE1 3.57Å; K704-E707 PolarHBondContact NZ-OE1 3.05Å; K704-E707 IonicContact NZ-OE2 1.94Å; K704-E707 PolarHBondContact NZ-OE2 3.43Å; K704-E707 PolarHBondContact O-N 3.15Å; L705-E707 PolarHBondContact O-N 3.23Å
708	C	91.6	Very high	89.1	Confident	11 Å²	11	53.4 Å²	53.4	7%	0.074	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-137.7	5.9	-174.9	71.2	0	0	0	0	115	L705 T821 S822 R823	L705-C708 PolarHBondContact O-N 3.5Å; L705-C708 VanDerWaalsContact O-N 3.11Å; L705-C708 PolarHBondContact O-SG 3.02Å; C708-T821 WeakPolarHBondContact O-CA 3.48Å; C708-S822 WeakPolarHBondContact CA-OG 3.37Å; C708-S822 PolarHBondContact O-N 3.25Å; C708-S822 PolarHBondContact O-OG 3.37Å; C708-R823 HydrophobicContact CB-CG 3.9Å; C708-R823 VanDerWaalsContact SG-CZ 3.59Å; C708-R823 PolarHBondContact SG-NE 2.98Å; C708-R823 PolarHBondContact SG-NH2 3.05Å; C708-R823 VanDerWaalsContact SG-NH2 3.39Å
709	I	94.6	Very high	90	Very high	12 Å²	12	51.3 Å²	51.3	6%	0.062	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	127.3	175.8	-67	-165.3	0	0	0	109.6	V658 L705 L711 I728 I819 R820 T821 L825	V658-I709 HydrophobicContact CB-CD1 4.46Å; V658-I709 HydrophobicContact CG1-CD1 3.88Å; L705-I709 HydrophobicContact CD1-CD1 3.68Å; L705-I709 HydrophobicContact CD1-CG1 4.12Å; L705-I709 HydrophobicContact CD2-CD1 4.06Å; L705-I709 HydrophobicContact CG-CD1 3.71Å; L705-I709 HydrophobicContact CG-CG1 4.16Å; L705-I709 PolarHBondContact O-N 2.78Å; L705-I709 VanDerWaalsContact O-N 3.13Å; I709-L711 HydrophobicContact CG2-CB 4.41Å; I709-I728 HydrophobicContact CD1-CD1 4.13Å; I709-I728 HydrophobicContact CG2-CD1 3.9Å; I709-I819 HydrophobicContact CD1-CG2 4.3Å; I709-I819 HydrophobicContact CG2-CG2 3.8Å; I709-R820 WeakPolarHBondContact CA-O 3.23Å; I709-T821 HydrophobicContact CD1-CG2 4.25Å; I709-T821 HydrophobicContact CG1-CG2 4.15Å; I709-L825 HydrophobicContact CD1-CD1 3.85Å; I709-L825 HydrophobicContact CG1-CD1 3.98Å
710	E	96.5	Very high	90.8	Very high	84 Å²	84	48.8 Å²	48.8	39%	0.393	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	137.1	156.7	-169.7	-177.2	78.7	0	0	108.9	I717 I819 R820	E710-I717 HydrophobicContact CG-CG2 3.94Å; E710-I819 WeakPolarHBondContact O-CA 3.38Å; E710-R820 HydrophobicContact CB-CB 4.29Å; E710-R820 PolarHBondContact N-O 2.92Å; E710-R820 PolarHBondContact O-N 2.75Å; E710-R820 WeakPolarHBondContact OE1-CD 3.48Å; E710-R820 IonicContact OE1-CZ 3.63Å; E710-R820 IonicContact OE1-NE 3.64Å; E710-R820 IonicContact OE1-NH1 2.7Å; E710-R820 PolarHBondContact OE1-NH1 3.49Å
711	L	96.9	Very high	91.1	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.005	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	120.7	-174.5	173	63.1	0	0	0	109.4	I709 I717 L718 L720 I728 V788 L811 V817 I819	I709-L711 HydrophobicContact CG2-CB 4.41Å; L711-I717 WeakPolarHBondContact O-CA 3.47Å; L711-L718 HydrophobicContact CD2-CD1 3.8Å; L711-L718 HydrophobicContact CG-CD1 4.02Å; L711-L718 HydrophobicContact CG-CG 4.34Å; L711-L718 PolarHBondContact O-N 2.97Å; L711-L720 HydrophobicContact CB-CD1 4.06Å; L711-L720 HydrophobicContact CD2-CD1 4.24Å; L711-L720 HydrophobicContact CD2-CD2 4.44Å; L711-I728 HydrophobicContact CD2-CD1 4.27Å; L711-V788 HydrophobicContact CD1-CG1 4.3Å; L711-V788 HydrophobicContact CD2-CG1 3.86Å; L711-L811 HydrophobicContact CD2-CD1 3.96Å; L711-V817 HydrophobicContact CD1-CG1 3.86Å; L711-I819 HydrophobicContact CD1-CD1 4.45Å; L711-I819 HydrophobicContact CD1-CG1 3.73Å
712	E	97.7	Very high	91.4	Very high	39 Å²	39	55.3 Å²	55.3	18%	0.182	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	131.7	-176	-176.3	-166.3	128.1	0	0	109.6	I716 I717 V817 T818 R820	E712-I716 WeakPolarHBondContact CA-O 3.43Å; E712-I717 HydrophobicContact CB-CG1 4.3Å; E712-I717 HydrophobicContact CG-CG1 4.16Å; E712-V817 WeakPolarHBondContact O-CA 3.34Å; E712-T818 PolarHBondContact N-O 2.99Å; E712-T818 PolarHBondContact O-N 3.1Å; E712-R820 IonicContact OE2-CZ 3.22Å; E712-R820 VanDerWaalsContact OE2-CZ 3.22Å; E712-R820 IonicContact OE2-NH1 2.76Å; E712-R820 PolarHBondContact OE2-NH1 2.92Å; E712-R820 IonicContact OE2-NH2 2.73Å; E712-R820 PolarHBondContact OE2-NH2 2.87Å
713	C	97.4	Very high	91.4	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	114.1	-177.3	-68.5	0	0	0	0	109.1	G715 I716 A812 C814 N816	C713-G715 PolarHBondContact O-N 3.38Å; C713-I716 PolarHBondContact N-O 3.22Å; C713-I716 WeakPolarHBondContact O-CB 3.47Å; C713-I716 PolarHBondContact O-N 2.91Å; C713-A812 HydrophobicContact CB-CB 4.14Å; C713-C814 HydrophobicContact CB-CB 3.81Å; C713-N816 WeakPolarHBondContact CA-O 3.44Å
714	D	95.9	Very high	91.6	Very high	47 Å²	47	56 Å²	56	25%	0.251	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.8	39.6	-172.9	-57.5	-46.3	0	0	0	114.2	I716 T767 C814 A815 N816	D714-I716 VanDerWaalsContact C-N 3.33Å; D714-I716 PolarHBondContact O-N 3.44Å; D714-T767 HydrophobicContact CB-CG2 4.07Å; D714-T767 WeakPolarHBondContact CB-OG1 3.42Å; D714-T767 VanDerWaalsContact CG-OG1 3.29Å; D714-T767 WeakPolarHBondContact OD2-CB 3.34Å; D714-T767 WeakPolarHBondContact OD2-CG2 3.41Å; D714-T767 PolarHBondContact OD2-OG1 2.85Å; D714-C814 VanDerWaalsContact OD2-CA 3.26Å; D714-C814 WeakPolarHBondContact OD2-CA 3.47Å; D714-C814 WeakPolarHBondContact OD2-CB 3.49Å; D714-A815 PolarHBondContact OD1-N 3.32Å; D714-A815 PolarHBondContact OD2-N 2.86Å; D714-N816 PolarHBondContact N-O 3.24Å; D714-N816 WeakPolarHBondContact OD1-CB 3.4Å; D714-N816 PolarHBondContact OD1-N 2.96Å; D714-N816 PolarHBondContact OD1-ND2 3.24Å
715	G	93.7	Very high	92	Very high	55 Å²	55	50.6 Å²	50.6	57%	0.567	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.8	-1.2	-176.5	0	0	0	0	0	115.4	C713	C713-G715 PolarHBondContact O-N 3.38Å
716	I	95.8	Very high	92.2	Very high	74 Å²	74	51.5 Å²	51.5	38%	0.379	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	109.2	175.2	-52	177.3	0	0	0	109.3	E712 C713 D714 L718 T767 T769	E712-I716 WeakPolarHBondContact CA-O 3.43Å; C713-I716 PolarHBondContact N-O 3.22Å; C713-I716 WeakPolarHBondContact O-CB 3.47Å; C713-I716 PolarHBondContact O-N 2.91Å; D714-I716 VanDerWaalsContact C-N 3.33Å; D714-I716 PolarHBondContact O-N 3.44Å; I716-L718 HydrophobicContact CG2-CD2 4.33Å; I716-T767 HydrophobicContact CD1-CG2 4.15Å; I716-T769 HydrophobicContact CG2-CG2 4.47Å
717	I	95.9	Very high	92.5	Very high	97 Å²	97	50 Å²	50	50%	0.497	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	131	170.5	-58	174.4	0	0	0	109.2	E710 L711 E712	E710-I717 HydrophobicContact CG-CG2 3.94Å; L711-I717 WeakPolarHBondContact O-CA 3.47Å; E712-I717 HydrophobicContact CB-CG1 4.3Å; E712-I717 HydrophobicContact CG-CG1 4.16Å
718	L	94.7	Very high	92.8	Very high	23 Å²	23	44.2 Å²	44.2	12%	0.12	26%	0.257	C	S	.	.			trans	-92.1	134	-178	-53.1	-169.6	0	0	0	111.6	L711 I716 L720 T769 L811 A812	L711-L718 HydrophobicContact CD2-CD1 3.8Å; L711-L718 HydrophobicContact CG-CD1 4.02Å; L711-L718 HydrophobicContact CG-CG 4.34Å; L711-L718 PolarHBondContact O-N 2.97Å; I716-L718 HydrophobicContact CG2-CD2 4.33Å; L718-L720 HydrophobicContact CB-CD2 4.4Å; L718-L720 PolarHBondContact O-N 3.07Å; L718-T769 HydrophobicContact CD2-CG2 3.6Å; L718-L811 HydrophobicContact CD1-CB 3.98Å; L718-A812 HydrophobicContact CD1-CB 4.02Å
719	D	91.1	Very high	93	Very high	104 Å²	104	43.7 Å²	43.7	56%	0.556	25%	0.253	S	S	*	.			trans	-73.7	105.2	171.6	175.5	30.4	0	0	0	111.1	S721 N722	D719-S721 WeakPolarHBondContact OD1-CB 3.27Å; D719-S721 PolarHBondContact OD1-N 3.19Å; D719-S721 PolarHBondContact OD1-OG 3.3Å; D719-S721 PolarHBondContact OD2-OG 2.78Å; D719-N722 PolarHBondContact OD2-ND2 3.45Å
720	L	90.9	Very high	93.2	Very high	12 Å²	12	43.2 Å²	43.2	6%	0.063	25%	0.251	C	S	.	.			trans	-99.2	1.1	173.5	-54.3	-177.1	0	0	0	113	N706 L711 L718 N722 I723 L725 I728 L811	N706-L720 HydrophobicContact CB-CB 3.95Å; N706-L720 PolarHBondContact ND2-O 3.23Å; L711-L720 HydrophobicContact CB-CD1 4.06Å; L711-L720 HydrophobicContact CD2-CD1 4.24Å; L711-L720 HydrophobicContact CD2-CD2 4.44Å; L718-L720 HydrophobicContact CB-CD2 4.4Å; L718-L720 PolarHBondContact O-N 3.07Å; L720-N722 PolarHBondContact O-N 3.49Å; L720-I723 PolarHBondContact O-N 3.46Å; L720-I723 VanDerWaalsContact O-N 3.12Å; L720-L725 HydrophobicContact CD1-CD1 4.34Å; L720-L725 HydrophobicContact CD2-CD1 4.21Å; L720-I728 HydrophobicContact CD1-CD1 4.39Å; L720-L811 HydrophobicContact CD2-CD1 4.06Å; L720-L811 HydrophobicContact CD2-CD2 4.33Å
721	S	84.3	Confident	93.2	Very high	83 Å²	83	39.3 Å²	39.3	58%	0.58	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-33.5	-173.1	66.3	0	0	0	0	113	D719	D719-S721 WeakPolarHBondContact OD1-CB 3.27Å; D719-S721 PolarHBondContact OD1-N 3.19Å; D719-S721 PolarHBondContact OD1-OG 3.3Å; D719-S721 PolarHBondContact OD2-OG 2.78Å
722	N	83	Confident	93.2	Very high	136 Å²	136	39.3 Å²	39.3	73%	0.727	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.4	1.7	-178.5	-67.2	-74.5	0	0	0	114.1	D719 L720	D719-N722 PolarHBondContact OD2-ND2 3.45Å; L720-N722 PolarHBondContact O-N 3.49Å
723	I	84.7	Confident	93	Very high	41 Å²	41	37.4 Å²	37.4	21%	0.21	22%	0.224	C	C	.	.			trans	-125.9	112.1	-172.8	-44	179.6	0	0	0	110.4	N706 L720 L725 L811	N706-I723 WeakPolarHBondContact CB-O 3.33Å; N706-I723 VanDerWaalsContact CG-O 3.22Å; N706-I723 PolarHBondContact ND2-O 2.81Å; L720-I723 PolarHBondContact O-N 3.46Å; L720-I723 VanDerWaalsContact O-N 3.12Å; I723-L725 HydrophobicContact CB-CD2 4.49Å; I723-L725 HydrophobicContact CB-CG 4.31Å; I723-L725 HydrophobicContact CG2-CD2 3.53Å; I723-L725 HydrophobicContact CG2-CG 3.86Å; I723-L725 PolarHBondContact O-N 3.46Å; I723-L811 HydrophobicContact CD1-CD2 3.9Å
724	S	87.4	Confident	92.5	Very high	88 Å²	88	39.4 Å²	39.4	62%	0.615	24%	0.236	S	C	*	.			trans	-73	92.7	174.3	173.6	0	0	0	0	110.5
725	L	92.1	Very high	92	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	23%	0.226	C	C	.	.			trans	-95.9	143.4	179.1	-62.4	-178.4	0	0	0	112.6	L705 L720 I723 I728 L791 L811	L705-L725 HydrophobicContact CB-CB 4.27Å; L705-L725 VanDerWaalsContact CB-O 3.23Å; L705-L725 WeakPolarHBondContact CB-O 3.39Å; L705-L725 PolarHBondContact N-O 3.39Å; L720-L725 HydrophobicContact CD1-CD1 4.34Å; L720-L725 HydrophobicContact CD2-CD1 4.21Å; I723-L725 HydrophobicContact CB-CD2 4.49Å; I723-L725 HydrophobicContact CB-CG 4.31Å; I723-L725 HydrophobicContact CG2-CD2 3.53Å; I723-L725 HydrophobicContact CG2-CG 3.86Å; I723-L725 PolarHBondContact O-N 3.46Å; L725-I728 HydrophobicContact CD1-CG1 4.21Å; L725-L791 WeakPolarHBondContact CA-O 3.33Å; L725-L811 HydrophobicContact CD1-CD1 4.38Å
726	E	93.8	Very high	91.3	Very high	19 Å²	19	34.9 Å²	34.9	9%	0.089	20%	0.2	C	C	.	.	S	Bend	trans	-114.4	-12.5	164.6	-67.3	-172.3	172	0	0	111.9	V660 C702 K703 L791 E792 G793	V660-E726 HydrophobicContact CB-CB 4.05Å; V660-E726 WeakPolarHBondContact CB-O 3.49Å; V660-E726 HydrophobicContact CG1-CB 4.18Å; V660-E726 PolarHBondContact N-O 2.98Å; C702-E726 VanDerWaalsContact CB-O 3.22Å; C702-E726 WeakPolarHBondContact CB-O 3.46Å; K703-E726 WeakPolarHBondContact CE-OE1 3.32Å; K703-E726 HydrophobicContact CG-CG 4.13Å; K703-E726 WeakPolarHBondContact CG-OE1 3.42Å; E726-L791 PolarHBondContact N-O 3.2Å; E726-E792 WeakPolarHBondContact CG-O 3.47Å; E726-G793 WeakPolarHBondContact OE2-CA 3.18Å
727	G	94.3	Very high	90.3	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.01	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	155.7	177	0	0	0	0	0	114.1	V658 L705 L791	V658-G727 VanDerWaalsContact O-CA 3.32Å; V658-G727 WeakPolarHBondContact O-CA 3.35Å; L705-G727 VanDerWaalsContact CD2-CA 3.45Å; G727-L791 PolarHBondContact N-O 3.3Å; G727-L791 VanDerWaalsContact N-O 3.1Å; G727-L791 PolarHBondContact O-N 2.77Å
728	I	96.1	Very high	89.2	Confident	2 Å²	2	29.7 Å²	29.7	1%	0.01	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	135.5	166.2	-66.5	165.4	0	0	0	107.7	S657 V658 L705 I709 L711 L720 L725 I730 V789	S657-I728 CarbonylContact C-O 3.1Å; S657-I728 VanDerWaalsContact CA-O 3.26Å; S657-I728 WeakPolarHBondContact CA-O 3.45Å; S657-I728 WeakPolarHBondContact CB-O 3.45Å; V658-I728 PolarHBondContact N-O 2.97Å; V658-I728 PolarHBondContact O-N 2.79Å; L705-I728 HydrophobicContact CD2-CD1 4.31Å; L705-I728 HydrophobicContact CD2-CG1 4.1Å; I709-I728 HydrophobicContact CD1-CD1 4.13Å; I709-I728 HydrophobicContact CG2-CD1 3.9Å; L711-I728 HydrophobicContact CD2-CD1 4.27Å; L720-I728 HydrophobicContact CD1-CD1 4.39Å; L725-I728 HydrophobicContact CD1-CG1 4.21Å; I728-I730 HydrophobicContact CG2-CD1 3.89Å; I728-V789 CarbonylContact C-O 3.56Å; I728-V789 WeakPolarHBondContact CA-O 3.28Å
729	A	96.4	Very high	88.5	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	134.7	174.2	0	0	0	0	0	110.4	L731 M736 L742 V789	A729-L731 HydrophobicContact CB-CD2 3.78Å; A729-M736 HydrophobicContact CB-CE 4.19Å; A729-L742 HydrophobicContact CB-CD1 4.49Å; A729-V789 PolarHBondContact N-O 3.37Å; A729-V789 PolarHBondContact O-N 3.48Å
730	I	97.8	Very high	88.1	Confident	1 Å²	1	26.7 Å²	26.7	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	109	178.9	-49.9	-57.3	0	0	0	106.7	Y655 F656 I728 L786 V788 V817 I819 I843	Y655-I730 VanDerWaalsContact CA-O 3.28Å; Y655-I730 WeakPolarHBondContact CA-O 3.32Å; Y655-I730 WeakPolarHBondContact CB-O 3.36Å; F656-I730 HydrophobicContact CB-CB 4.45Å; F656-I730 HydrophobicContact CD1-CB 4.34Å; F656-I730 HydrophobicContact CD1-CG1 3.9Å; F656-I730 PolarHBondContact N-O 3.47Å; F656-I730 PolarHBondContact O-N 2.87Å; I728-I730 HydrophobicContact CG2-CD1 3.89Å; I730-L786 HydrophobicContact CG2-CB 4.12Å; I730-L786 HydrophobicContact CG2-CD1 3.77Å; I730-L786 HydrophobicContact CG2-CD2 4.15Å; I730-L786 HydrophobicContact CG2-CG 4.24Å; I730-V788 HydrophobicContact CD1-CB 4.26Å; I730-V788 HydrophobicContact CD1-CG1 3.76Å; I730-V788 HydrophobicContact CD1-CG2 4.01Å; I730-V817 HydrophobicContact CD1-CG1 4.02Å; I730-V817 HydrophobicContact CG2-CG2 4.27Å; I730-I819 HydrophobicContact CD1-CD1 4.36Å; I730-I819 HydrophobicContact CG1-CD1 4.26Å; I730-I843 HydrophobicContact CB-CD1 4.37Å; I730-I843 HydrophobicContact CG1-CD1 4.19Å; I730-I843 HydrophobicContact CG2-CD1 4.13Å
731	L	96.9	Very high	87.9	Confident	2 Å²	2	28.7 Å²	28.7	1%	0.01	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	134.3	-167.5	-35.5	-179.9	0	0	0	110.7	A729 M736 L742 W743 L786 E787 V789	A729-L731 HydrophobicContact CB-CD2 3.78Å; L731-M736 HydrophobicContact CD2-CE 3.41Å; L731-M736 VanDerWaalsContact CD2-CE 3.41Å; L731-M736 HydrophobicContact CD2-SD 3.45Å; L731-M736 WeakPolarHBondContact CD2-SD 3.45Å; L731-L742 HydrophobicContact CD1-CB 4.4Å; L731-W743 HydrophobicContact CD1-CB 4.27Å; L731-L786 VanDerWaalsContact O-CD2 3.29Å; L731-L786 WeakPolarHBondContact O-CD2 3.34Å; L731-E787 HydrophobicContact CB-CB 4.09Å; L731-E787 HydrophobicContact CD1-CB 4.03Å; L731-E787 HydrophobicContact CG-CB 4.12Å; L731-E787 PolarHBondContact N-O 3.24Å; L731-E787 PolarHBondContact O-N 3.22Å; L731-E787 VanDerWaalsContact O-N 3.13Å; L731-V789 HydrophobicContact CD1-CG2 3.85Å; L731-V789 HydrophobicContact CG-CG2 4.33Å
732	N	96.4	Very high	88.2	Confident	1 Å²	1	24.8 Å²	24.8	1%	0.005	16%	0.155	C	C	.	.	S	Bend	trans	-101.6	-26.2	162.9	-176.4	53.5	0	0	0	111.6	L628 D629 W631 N653 N654 F781 L786	L628-N732 WeakPolarHBondContact CD1-ND2 3.33Å; D629-N732 PolarHBondContact O-ND2 3.03Å; W631-N732 PolarHBondContact NE1-OD1 2.99Å; N653-N732 PolarHBondContact O-ND2 2.97Å; N654-N732 WeakPolarHBondContact O-CB 3.28Å; N654-N732 PolarHBondContact O-N 3.09Å; N732-F781 WeakPolarHBondContact O-CA 3.43Å; N732-F781 WeakPolarHBondContact O-CB 3.42Å; N732-L786 HydrophobicContact CB-CD2 4.23Å
733	I	94.5	Very high	88.6	Confident	0 Å²	0	18.4 Å²	18.4	0%	0	12%	0.121	C	C	.	.	S	Bend	trans	-127.8	147.9	-175.4	71.5	170.2	0	0	0	113.4	D597 L598 L628 N654 S735 F781	D597-I733 HydrophobicContact CB-CD1 4.22Å; L598-I733 HydrophobicContact CB-CD1 4.27Å; L598-I733 HydrophobicContact CD1-CD1 4.34Å; L598-I733 HydrophobicContact CD1-CG2 4.16Å; L628-I733 HydrophobicContact CD1-CG2 4.06Å; N654-I733 HydrophobicContact CB-CD1 3.62Å; N654-I733 HydrophobicContact CB-CG1 3.95Å; N654-I733 PolarHBondContact O-N 2.91Å; I733-S735 WeakPolarHBondContact CD1-O 3.34Å; I733-S735 WeakPolarHBondContact CG1-O 3.35Å; I733-S735 PolarHBondContact O-N 3.38Å; I733-S735 VanDerWaalsContact O-N 3.1Å; I733-F781 HydrophobicContact CG2-CB 4.02Å
734	P	87.7	Confident	88.7	Confident	41 Å²	41	16.8 Å²	16.8	27%	0.266	11%	0.114	S	C	.	.	S	Bend	trans	-77.7	13.7	-177.4	30.5	-36.8	0	0	0	115.9	N741 Q779	P734-N741 WeakPolarHBondContact O-CB 3.34Å; P734-Q779 VanDerWaalsContact CA-OE1 3.23Å; P734-Q779 HydrophobicContact CB-CG 4.11Å
735	S	83.6	Confident	88.5	Confident	6 Å²	6	21.5 Å²	21.5	4%	0.042	13%	0.126	C	C	.	.			trans	-130.6	127.8	175.7	-172.4	0	0	0	0	109.9	D597 R600 C601 I733 G739	D597-S735 WeakPolarHBondContact CB-O 3.35Å; D597-S735 PolarHBondContact OD1-OG 3.38Å; R600-S735 WeakPolarHBondContact CD-OG 3.31Å; C601-S735 WeakPolarHBondContact SG-CB 3.05Å; I733-S735 WeakPolarHBondContact CD1-O 3.34Å; I733-S735 WeakPolarHBondContact CG1-O 3.35Å; I733-S735 PolarHBondContact O-N 3.38Å; I733-S735 VanDerWaalsContact O-N 3.1Å; S735-G739 VanDerWaalsContact OG-CA 3.31Å; S735-G739 WeakPolarHBondContact OG-CA 3.09Å
736	M	80.9	Confident	87.9	Confident	1 Å²	1	23.1 Å²	23.1	1%	0.005	14%	0.138	C	C	.	.	B	Isolated β-bridge	trans	-138	162.9	170.4	-55.5	-154.5	-56.3	0	0	111.5	D597 Y655 A729 L731 G738 G739 S740 L742	D597-M736 VanDerWaalsContact OD1-C 3.22Å; D597-M736 WeakPolarHBondContact OD1-CA 3.5Å; D597-M736 PolarHBondContact OD1-N 3.26Å; Y655-M736 WeakPolarHBondContact CB-SD 3.18Å; Y655-M736 HydrophobicContact CD1-CB 4.39Å; Y655-M736 HydrophobicContact CD1-CG 3.72Å; Y655-M736 HydrophobicContact CD1-SD 3.32Å; Y655-M736 WeakPolarHBondContact CD1-SD 3.3Å; Y655-M736 HydrophobicContact CD2-CE 4.34Å; Y655-M736 HydrophobicContact CD2-SD 3.32Å; Y655-M736 WeakPolarHBondContact CD2-SD 3.32Å; Y655-M736 HydrophobicContact CE1-CB 4.05Å; Y655-M736 HydrophobicContact CE1-CG 3.9Å; Y655-M736 HydrophobicContact CE1-SD 3.78Å; Y655-M736 HydrophobicContact CE2-SD 3.76Å; Y655-M736 HydrophobicContact CG-CG 4.12Å; Y655-M736 HydrophobicContact CG-SD 3.08Å; A729-M736 HydrophobicContact CB-CE 4.19Å; L731-M736 HydrophobicContact CD2-CE 3.41Å; L731-M736 VanDerWaalsContact CD2-CE 3.41Å; L731-M736 HydrophobicContact CD2-SD 3.45Å; L731-M736 WeakPolarHBondContact CD2-SD 3.45Å; M736-G738 PolarHBondContact O-N 3.24Å; M736-G739 PolarHBondContact O-N 2.96Å; M736-G739 VanDerWaalsContact O-N 3.12Å; M736-S740 PolarHBondContact N-O 3.17Å; M736-S740 PolarHBondContact O-N 3.08Å; M736-L742 HydrophobicContact CE-CB 4.26Å; M736-L742 HydrophobicContact CE-CD1 3.14Å; M736-L742 HydrophobicContact CE-CG 3.52Å
737	H	73	Confident	87	Confident	49 Å²	49	29 Å²	29	23%	0.227	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	32.4	175.9	-43.7	-73.3	0	0	0	114	D597 Y655 D661 Y801	D597-H737 PolarHBondContact OD2-N 2.99Å; Y655-H737 AromaticContact CE2-CE1 3.83Å; Y655-H737 AromaticContact CZ-CE1 3.83Å; Y655-H737 PolarHBondContact OH-CE1 3.36Å; Y655-H737 VanDerWaalsContact OH-CE1 3.3Å; D661-H737 IonicContact OD1-CE1 2.73Å; D661-H737 PolarHBondContact OD1-CE1 3.19Å; D661-H737 IonicContact OD1-ND1 2.77Å; D661-H737 IonicContact OD1-NE2 3.91Å; D661-H737 IonicContact OD2-CE1 3.3Å; D661-H737 PolarHBondContact OD2-CE1 2.98Å; D661-H737 IonicContact OD2-NE2 2.66Å; H737-Y801 HydrophobicContact CB-CE1 3.88Å; H737-Y801 HydrophobicContact CB-CE2 4.48Å; H737-Y801 AromaticContact CD2-CE1 3.55Å; H737-Y801 AromaticContact CD2-CZ 3.57Å; H737-Y801 PolarHBondContact CD2-OH 3.25Å; H737-Y801 AromaticContact CG-CE1 3.85Å; H737-Y801 AromaticContact CG-CZ 3.62Å; H737-Y801 PolarHBondContact NE2-OH 3.44Å
738	G	74.6	Confident	85.6	Confident	14 Å²	14	38 Å²	38	14%	0.144	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.9	32.4	178.6	0	0	0	0	0	115.4	D597 R600 M736	D597-G738 VanDerWaalsContact CG-N 3.29Å; D597-G738 WeakPolarHBondContact OD1-CA 3.26Å; D597-G738 PolarHBondContact OD1-N 2.91Å; D597-G738 WeakPolarHBondContact OD2-CA 3.41Å; D597-G738 PolarHBondContact OD2-N 3.04Å; R600-G738 VanDerWaalsContact NE-C 3.28Å; R600-G738 PolarHBondContact NE-O 3.47Å; R600-G738 PolarHBondContact NH2-O 3.46Å; M736-G738 PolarHBondContact O-N 3.24Å
739	G	78.4	Confident	83.7	Confident	44 Å²	44	46 Å²	46	45%	0.454	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	130.5	10.9	167.3	0	0	0	0	0	117.5	D597 R600 S735 M736	D597-G739 PolarHBondContact OD1-N 3.31Å; R600-G739 VanDerWaalsContact CD-CA 3.4Å; S735-G739 VanDerWaalsContact OG-CA 3.31Å; S735-G739 WeakPolarHBondContact OG-CA 3.09Å; M736-G739 PolarHBondContact O-N 2.96Å; M736-G739 VanDerWaalsContact O-N 3.12Å
740	S	82.4	Confident	81.5	Confident	20 Å²	20	57.3 Å²	57.3	14%	0.14	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-101.1	137.2	-174.5	-53.2	0	0	0	0	111.4	M736 Y801	M736-S740 PolarHBondContact N-O 3.17Å; M736-S740 PolarHBondContact O-N 3.08Å; S740-Y801 VanDerWaalsContact OG-CD1 3.32Å; S740-Y801 WeakPolarHBondContact OG-CD1 3.27Å
741	N	88.4	Confident	79	Confident	53 Å²	53	63.4 Å²	63.4	28%	0.283	31%	0.312	S	S	.	.			trans	-101.6	107.7	177.3	-179	-10.5	0	0	0	109.5	P734 W743 G744	P734-N741 WeakPolarHBondContact O-CB 3.34Å; N741-W743 WeakPolarHBondContact OD1-CA 3.31Å; N741-W743 WeakPolarHBondContact OD1-CB 3.39Å; N741-W743 PolarHBondContact OD1-N 3.09Å; N741-G744 VanDerWaalsContact CG-N 3.34Å; N741-G744 PolarHBondContact OD1-N 3.35Å
742	L	89.4	Confident	76.6	Confident	2 Å²	2	72 Å²	72	1%	0.01	35%	0.346	C	S	.	.	S	Bend	trans	-76.3	-23	178.2	-60.4	-162.6	0	0	0	113.2	A729 L731 M736 V789 L791 I800 Y801 A807 G808	A729-L742 HydrophobicContact CB-CD1 4.49Å; L731-L742 HydrophobicContact CD1-CB 4.4Å; M736-L742 HydrophobicContact CE-CB 4.26Å; M736-L742 HydrophobicContact CE-CD1 3.14Å; M736-L742 HydrophobicContact CE-CG 3.52Å; L742-V789 HydrophobicContact CB-CG1 4.34Å; L742-L791 HydrophobicContact CD1-CD1 4.12Å; L742-L791 HydrophobicContact CD1-CD2 4.19Å; L742-I800 HydrophobicContact CD2-CB 4.2Å; L742-I800 HydrophobicContact CD2-CD1 4.02Å; L742-I800 HydrophobicContact CD2-CG2 3.63Å; L742-Y801 HydrophobicContact CD2-CE1 4.09Å; L742-A807 CarbonylContact O-C 3.56Å; L742-A807 WeakPolarHBondContact O-CA 3.17Å; L742-A807 WeakPolarHBondContact O-CB 3.34Å; L742-G808 PolarHBondContact O-N 3.48Å
743	W	91.6	Very high	74.2	Confident	2 Å²	2	78.8 Å²	78.8	1%	0.008	38%	0.382	C	S	.	.	S	Bend	trans	-72.2	-39.1	171.7	-167.1	-126.4	0	0	0	111.3	L731 N741 L774 C777 Q779 E787 V789 A807 R810 A812 Q813	L731-W743 HydrophobicContact CD1-CB 4.27Å; N741-W743 WeakPolarHBondContact OD1-CA 3.31Å; N741-W743 WeakPolarHBondContact OD1-CB 3.39Å; N741-W743 PolarHBondContact OD1-N 3.09Å; W743-L774 HydrophobicContact CH2-CD2 3.84Å; W743-L774 HydrophobicContact CZ2-CD2 4.24Å; W743-C777 HydrophobicContact CZ2-CB 3.89Å; W743-C777 PolarHBondContact NE1-O 2.7Å; W743-Q779 HydrophobicContact CG-CB 4.42Å; W743-E787 HydrophobicContact CD2-CB 3.94Å; W743-E787 HydrophobicContact CD2-CG 3.4Å; W743-E787 HydrophobicContact CE3-CB 3.59Å; W743-E787 HydrophobicContact CE3-CG 3.58Å; W743-E787 HydrophobicContact CG-CG 3.9Å; W743-E787 HydrophobicContact CH2-CB 4.11Å; W743-E787 HydrophobicContact CH2-CG 3.76Å; W743-E787 HydrophobicContact CZ2-CB 4.44Å; W743-E787 HydrophobicContact CZ2-CG 3.6Å; W743-E787 HydrophobicContact CZ3-CB 3.69Å; W743-E787 HydrophobicContact CZ3-CG 3.75Å; W743-V789 HydrophobicContact CE3-CG2 3.64Å; W743-V789 HydrophobicContact CZ3-CG2 4.1Å; W743-A807 VanDerWaalsContact O-CB 3.25Å; W743-A807 WeakPolarHBondContact O-CB 3.15Å; W743-R810 VanDerWaalsContact CD1-CZ 3.46Å; W743-R810 HydrophobicContact CD2-CG 3.89Å; W743-R810 HydrophobicContact CE3-CB 3.95Å; W743-R810 HydrophobicContact CE3-CG 3.47Å; W743-R810 VanDerWaalsContact CE3-CG 3.47Å; W743-R810 HydrophobicContact CH2-CB 3.92Å; W743-R810 HydrophobicContact CH2-CG 4.12Å; W743-R810 HydrophobicContact CZ2-CG 4.46Å; W743-R810 HydrophobicContact CZ3-CB 3.53Å; W743-R810 HydrophobicContact CZ3-CG 3.61Å; W743-R810 VanDerWaalsContact NE1-NH1 3.19Å; W743-R810 PolarHBondContact O-NE 2.77Å; W743-R810 PolarHBondContact O-NH2 2.65Å; W743-A812 WeakPolarHBondContact CH2-O 3.49Å; W743-Q813 HydrophobicContact CH2-CB 4.3Å; W743-Q813 HydrophobicContact CZ2-CB 4.38Å
744	G	86.6	Confident	71.8	Confident	7 Å²	7	90.4 Å²	90.4	7%	0.072	43%	0.426	C	S	.	.			trans	80.5	-178.7	-177.5	0	0	0	0	0	114.8	N741 S806 R810	N741-G744 VanDerWaalsContact CG-N 3.34Å; N741-G744 PolarHBondContact OD1-N 3.35Å; G744-S806 WeakPolarHBondContact CA-O 3.36Å; G744-R810 PolarHBondContact O-NH2 3.37Å
745	E	83.7	Confident	69.6	Low	186 Å²	186	97.1 Å²	97.1	87%	0.869	46%	0.455	S	S	*	.	P	Polyproline II helix	trans	-74.8	125.5	-179.5	-68	-174	-170.6	0	0	113.2
746	S	79.8	Confident	67.6	Low	34 Å²	34	102.1 Å²	102.1	24%	0.238	49%	0.49	C	S	.	.	P	Polyproline II helix	trans	-77.3	138	177.7	-49.6	0	0	0	0	112.6	C777 R810	S746-C777 VanDerWaalsContact CB-O 3.29Å; S746-C777 WeakPolarHBondContact CB-O 3.49Å; S746-C777 PolarHBondContact OG-O 3.27Å; S746-R810 PolarHBondContact OG-NH1 2.83Å
747	K	74.1	Confident	65.9	Low	144 Å²	144	111.8 Å²	111.8	63%	0.626	53%	0.533	S	S	*	.	P	Polyproline II helix	trans	-78.9	127.8	-170.8	-68.3	-173.8	176.3	-177.6	0	112.2	R749 K775 F776	K747-R749 PolarHBondContact O-N 3.04Å; K747-K775 PolarHBondContact N-O 3.27Å; K747-F776 HydrophobicContact CB-CD1 4.41Å; K747-F776 HydrophobicContact CB-CE1 4.23Å; K747-F776 VanDerWaalsContact O-CD1 3.27Å; K747-F776 WeakPolarHBondContact O-CD1 3.12Å
748	K	64.4	Low	64.5	Low	189 Å²	189	119.1 Å²	119.1	82%	0.822	56%	0.564	S	S	*	*	P	Polyproline II helix	trans	-67	119.3	177.1	-69.2	178.5	179.6	173.5	0	110.8	R750	K748-R750 PolarHBondContact O-N 2.83Å
749	R	56.3	Low	62.9	Low	169 Å²	169	122.9 Å²	122.9	64%	0.638	58%	0.584	S	S	*	*	G	3₁₀ helix	trans	-59.3	-7.6	-172.8	-138.9	176.4	-167.5	178.7	4.5	116.2	K747 T751 Y752 F776	K747-R749 PolarHBondContact O-N 3.04Å; R749-T751 VanDerWaalsContact C-N 3.26Å; R749-T751 PolarHBondContact O-N 3.48Å; R749-T751 VanDerWaalsContact O-N 3.08Å; R749-Y752 PolarHBondContact O-N 2.86Å; R749-F776 HydrophobicContact CG-CD1 4.18Å; R749-F776 HydrophobicContact CG-CE1 4.3Å
750	R	51.4	Low	61	Low	238 Å²	238	124.8 Å²	124.8	90%	0.898	60%	0.595	S	S	*	*	G	3₁₀ helix	trans	-62.8	-16.1	-167	-74.4	-171.4	174.6	-175	-2.2	116.3	K748	K748-R750 PolarHBondContact O-N 2.83Å
751	T	45.2	Very low	58.9	Low	129 Å²	129	132 Å²	132	79%	0.791	63%	0.632	S	S	*	*	G	3₁₀ helix	trans	-108.7	-3.2	-172.8	-26.3	0	0	0	0	114.7	R749	R749-T751 VanDerWaalsContact C-N 3.26Å; R749-T751 PolarHBondContact O-N 3.48Å; R749-T751 VanDerWaalsContact O-N 3.08Å
752	Y	46.7	Very low	57.1	Low	184 Å²	184	134.5 Å²	134.5	72%	0.722	64%	0.641	S	S	*	*			trans	-101	2	-174	-98.8	-98.6	0	0	0	115.2	R749 R754	R749-Y752 PolarHBondContact O-N 2.86Å; Y752-R754 PolarHBondContact O-N 3.11Å
753	N	44.9	Very low	55	Low	142 Å²	142	139.4 Å²	139.4	76%	0.759	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.5	51.4	-174.4	-71	6.8	0	0	0	114.3
754	R	44.1	Very low	53	Low	245 Å²	245	145.6 Å²	145.6	93%	0.925	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.2	-21.4	167.8	-110.5	-177.3	179.8	-177.7	-0.1	115.4	Y752	Y752-R754 PolarHBondContact O-N 3.11Å
755	M	41.3	Very low	51.7	Low	181 Å²	181	147.7 Å²	147.7	89%	0.892	73%	0.733	S	S	*	*	S	Bend	trans	-141.6	69.5	178	-77.4	170.3	59.5	0	0	111.9
756	S	42.9	Very low	51.4	Low	111 Å²	111	140.8 Å²	140.8	78%	0.776	71%	0.705	S	S	*	*			trans	-161.3	106.7	158.2	-100.9	0	0	0	0	109.1
757	K	44.4	Very low	51.9	Low	205 Å²	205	140.9 Å²	140.9	89%	0.891	70%	0.704	S	S	*	*			trans	-111.1	126.4	179.7	-170.8	178.5	-175.4	179.4	0	108.1
758	K	44.8	Very low	52.9	Low	203 Å²	203	134.7 Å²	134.7	88%	0.883	68%	0.678	S	S	*	*			trans	64.7	97.8	-165.9	-60.9	-175.9	173.3	-173.5	0	114.2
759	V	39.8	Very low	54.3	Low	93 Å²	93	128.1 Å²	128.1	56%	0.564	65%	0.654	S	S	*	*			trans	-119.9	127	136.8	-178.8	0	0	0	0	104.1
760	A	38.7	Very low	56	Low	84 Å²	84	123.1 Å²	123.1	69%	0.694	64%	0.64	S	S	*	*			trans	-73.8	164.9	175.8	0	0	0	0	0	110.2	K762	A760-K762 PolarHBondContact O-N 3.34Å
761	D	38.7	Very low	57.8	Low	170 Å²	170	115.5 Å²	115.5	91%	0.909	62%	0.621	S	S	*	*			trans	-61.1	104.8	170.8	-61.5	-62.8	0	0	0	109.3
762	K	49.8	Very low	59.9	Low	107 Å²	107	116.7 Å²	116.7	47%	0.465	62%	0.615	S	S	.	*	P	Polyproline II helix	trans	-69.2	137.8	171.6	-71.3	-167.9	-178.3	-176.4	0	108.3	A760 E773	A760-K762 PolarHBondContact O-N 3.34Å; K762-E773 IonicContact NZ-OE1 2.9Å; K762-E773 PolarHBondContact NZ-OE1 2.61Å; K762-E773 IonicContact NZ-OE2 2.63Å; K762-E773 PolarHBondContact NZ-OE2 3Å
763	T	46.2	Very low	62	Low	105 Å²	105	111.1 Å²	111.1	64%	0.644	60%	0.596	S	S	*	*	P	Polyproline II helix	trans	-59.2	142.4	171.1	34	0	0	0	0	110.9	S766	T763-S766 PolarHBondContact O-N 3.49Å
764	P	48.7	Very low	64.2	Low	132 Å²	132	104.4 Å²	104.4	86%	0.857	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.5	143.5	164.6	-23.6	34.2	0	0	0	110.5
765	G	60.4	Low	66.3	Low	51 Å²	51	97.6 Å²	97.6	53%	0.526	54%	0.537	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.1	9.4	-178.8	0	0	0	0	0	116.2	T767	G765-T767 PolarHBondContact O-N 3.4Å
766	S	76.4	Confident	68.5	Low	40 Å²	40	92.4 Å²	92.4	28%	0.28	51%	0.51	S	S	.	.			trans	-75.8	118.2	172.2	73.3	0	0	0	0	111.4	T763 V768	T763-S766 PolarHBondContact O-N 3.49Å; S766-V768 WeakPolarHBondContact O-CG2 3.42Å; S766-V768 PolarHBondContact O-N 2.9Å
767	T	90.4	Very high	70.8	Confident	36 Å²	36	88 Å²	88	22%	0.221	48%	0.479	C	S	.	.			trans	-49	133.1	177	-38.7	0	0	0	0	112.6	D714 I716 G765 T769 Q813 C814	D714-T767 HydrophobicContact CB-CG2 4.07Å; D714-T767 WeakPolarHBondContact CB-OG1 3.42Å; D714-T767 VanDerWaalsContact CG-OG1 3.29Å; D714-T767 WeakPolarHBondContact OD2-CB 3.34Å; D714-T767 WeakPolarHBondContact OD2-CG2 3.41Å; D714-T767 PolarHBondContact OD2-OG1 2.85Å; I716-T767 HydrophobicContact CD1-CG2 4.15Å; G765-T767 PolarHBondContact O-N 3.4Å; T767-T769 HydrophobicContact CG2-CG2 4.41Å; T767-Q813 WeakPolarHBondContact CA-O 3.4Å; T767-C814 HydrophobicContact CG2-CB 3.85Å
768	V	94.7	Very high	72.9	Confident	15 Å²	15	82.9 Å²	82.9	9%	0.091	46%	0.464	C	S	.	.	B	Isolated β-bridge	trans	-118.8	124.4	179.3	-170.4	0	0	0	0	109.9	S766 E773 L774 A812 Q813	S766-V768 WeakPolarHBondContact O-CG2 3.42Å; S766-V768 PolarHBondContact O-N 2.9Å; V768-E773 HydrophobicContact CG1-CB 3.64Å; V768-L774 HydrophobicContact CB-CD2 3.96Å; V768-L774 HydrophobicContact CG1-CD2 3.76Å; V768-L774 HydrophobicContact CG1-CG 4.02Å; V768-L774 WeakPolarHBondContact O-CD2 3.28Å; V768-A812 CarbonylContact O-C 3.53Å; V768-A812 VanDerWaalsContact O-CA 3.22Å; V768-A812 WeakPolarHBondContact O-CA 3.18Å; V768-Q813 PolarHBondContact N-O 3.03Å; V768-Q813 PolarHBondContact O-N 3.41Å
769	T	94.3	Very high	75.1	Confident	51 Å²	51	74.1 Å²	74.1	31%	0.313	43%	0.427	S	S	.	.			trans	-129.1	-14.2	178.8	57.4	0	0	0	0	114	I716 L718 T767 P771 A812	I716-T769 HydrophobicContact CG2-CG2 4.47Å; L718-T769 HydrophobicContact CD2-CG2 3.6Å; T767-T769 HydrophobicContact CG2-CG2 4.41Å; T769-P771 VanDerWaalsContact O-CD 3.23Å; T769-P771 WeakPolarHBondContact O-CD 3.47Å; T769-A812 HydrophobicContact CG2-CB 4.12Å
770	D	91.8	Very high	77.5	Confident	64 Å²	64	73 Å²	73	34%	0.342	42%	0.418	S	S	.	.			trans	-68.2	119.3	176.8	177.4	1.3	0	0	0	110.6	K772 E773 L774	D770-K772 PolarHBondContact O-N 3.13Å; D770-K772 WeakPolarHBondContact OD1-CB 3.35Å; D770-K772 WeakPolarHBondContact OD1-CG 3.42Å; D770-K772 PolarHBondContact OD1-N 2.97Å; D770-E773 HydrophobicContact CB-CB 4.31Å; D770-E773 HydrophobicContact CB-CG 4.34Å; D770-E773 PolarHBondContact O-N 2.94Å; D770-L774 WeakPolarHBondContact O-CG 3.39Å; D770-L774 PolarHBondContact O-N 2.95Å
771	P	89.2	Confident	80.1	Confident	78 Å²	78	70.1 Å²	70.1	51%	0.506	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-9.9	176.3	-25	36.4	0	0	0	114.8	T769 K775	T769-P771 VanDerWaalsContact O-CD 3.23Å; T769-P771 WeakPolarHBondContact O-CD 3.47Å; P771-K775 VanDerWaalsContact O-CD 3.26Å; P771-K775 WeakPolarHBondContact O-CD 3.45Å; P771-K775 WeakPolarHBondContact O-CE 3.46Å; P771-K775 PolarHBondContact O-NZ 3.28Å
772	K	89	Confident	82.8	Confident	153 Å²	153	64 Å²	64	67%	0.665	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-43	169.9	-58.9	165.3	-171.2	158.9	0	112	D770 F776	D770-K772 PolarHBondContact O-N 3.13Å; D770-K772 WeakPolarHBondContact OD1-CB 3.35Å; D770-K772 WeakPolarHBondContact OD1-CG 3.42Å; D770-K772 PolarHBondContact OD1-N 2.97Å; K772-F776 WeakPolarHBondContact O-CD2 3.1Å; K772-F776 WeakPolarHBondContact O-CE2 3.45Å
773	E	90.9	Very high	84.9	Confident	68 Å²	68	62 Å²	62	32%	0.318	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-42	176.2	-70.6	-161.1	-177.9	0	0	111.6	K762 V768 D770 K775 F776 C777	K762-E773 IonicContact NZ-OE1 2.9Å; K762-E773 PolarHBondContact NZ-OE1 2.61Å; K762-E773 IonicContact NZ-OE2 2.63Å; K762-E773 PolarHBondContact NZ-OE2 3Å; V768-E773 HydrophobicContact CG1-CB 3.64Å; D770-E773 HydrophobicContact CB-CB 4.31Å; D770-E773 HydrophobicContact CB-CG 4.34Å; D770-E773 PolarHBondContact O-N 2.94Å; E773-K775 PolarHBondContact O-N 2.94Å; E773-F776 WeakPolarHBondContact O-CB 3.46Å; E773-F776 PolarHBondContact O-N 3.08Å; E773-C777 PolarHBondContact O-N 2.68Å
774	L	91.3	Very high	87.3	Confident	1 Å²	1	61.5 Å²	61.5	1%	0.005	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-20.4	-179.6	-75.1	177	0	0	0	114.5	W743 V768 D770 F776 R810 L811 Q813	W743-L774 HydrophobicContact CH2-CD2 3.84Å; W743-L774 HydrophobicContact CZ2-CD2 4.24Å; V768-L774 HydrophobicContact CB-CD2 3.96Å; V768-L774 HydrophobicContact CG1-CD2 3.76Å; V768-L774 HydrophobicContact CG1-CG 4.02Å; V768-L774 WeakPolarHBondContact O-CD2 3.28Å; D770-L774 WeakPolarHBondContact O-CG 3.39Å; D770-L774 PolarHBondContact O-N 2.95Å; L774-F776 PolarHBondContact O-N 2.97Å; L774-R810 HydrophobicContact CB-CB 4.15Å; L774-R810 HydrophobicContact CD1-CB 4.15Å; L774-R810 WeakPolarHBondContact CD1-O 3.32Å; L774-R810 VanDerWaalsContact O-CD 3.25Å; L774-R810 WeakPolarHBondContact O-CD 3.48Å; L774-R810 PolarHBondContact O-NH1 3.04Å; L774-L811 WeakPolarHBondContact CD1-O 3.31Å; L774-Q813 HydrophobicContact CD2-CB 4.25Å
775	K	87.6	Confident	89.6	Confident	102 Å²	102	56 Å²	56	44%	0.443	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-10.3	175.4	-70.9	164.6	178.9	126.5	0	113.8	K747 P771 E773	K747-K775 PolarHBondContact N-O 3.27Å; P771-K775 VanDerWaalsContact O-CD 3.26Å; P771-K775 WeakPolarHBondContact O-CD 3.45Å; P771-K775 WeakPolarHBondContact O-CE 3.46Å; P771-K775 PolarHBondContact O-NZ 3.28Å; E773-K775 PolarHBondContact O-N 2.94Å
776	F	88.9	Confident	91.3	Very high	72 Å²	72	53.6 Å²	53.6	32%	0.316	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.5	-22.9	178.6	-58.7	-80.4	0	0	0	112.8	K747 R749 K772 E773 L774 V778	K747-F776 HydrophobicContact CB-CD1 4.41Å; K747-F776 HydrophobicContact CB-CE1 4.23Å; K747-F776 VanDerWaalsContact O-CD1 3.27Å; K747-F776 WeakPolarHBondContact O-CD1 3.12Å; R749-F776 HydrophobicContact CG-CD1 4.18Å; R749-F776 HydrophobicContact CG-CE1 4.3Å; K772-F776 WeakPolarHBondContact O-CD2 3.1Å; K772-F776 WeakPolarHBondContact O-CE2 3.45Å; E773-F776 WeakPolarHBondContact O-CB 3.46Å; E773-F776 PolarHBondContact O-N 3.08Å; L774-F776 PolarHBondContact O-N 2.97Å; F776-V778 PolarHBondContact O-N 3.45Å
777	C	90.3	Very high	92.3	Very high	18 Å²	18	51.7 Å²	51.7	12%	0.122	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-51	127	169.7	-69.6	0	0	0	0	111.3	W743 S746 E773 R810 Q813	W743-C777 HydrophobicContact CZ2-CB 3.89Å; W743-C777 PolarHBondContact NE1-O 2.7Å; S746-C777 VanDerWaalsContact CB-O 3.29Å; S746-C777 WeakPolarHBondContact CB-O 3.49Å; S746-C777 PolarHBondContact OG-O 3.27Å; E773-C777 PolarHBondContact O-N 2.68Å; C777-R810 PolarHBondContact O-NH1 2.91Å; C777-R810 VanDerWaalsContact O-NH1 3.11Å; C777-Q813 VanDerWaalsContact CB-OE1 3.25Å; C777-Q813 PolarHBondContact SG-OE1 3.27Å
778	V	89.3	Confident	92.6	Very high	97 Å²	97	50 Å²	50	59%	0.588	26%	0.259	S	S	*	.	P	Polyproline II helix	trans	-97.6	137.9	173	177.2	0	0	0	0	107.1	F776 Q813	F776-V778 PolarHBondContact O-N 3.45Å; V778-Q813 PolarHBondContact O-NE2 2.75Å
779	Q	90.1	Very high	92.7	Very high	20 Å²	20	49.2 Å²	49.2	9%	0.093	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-86	125.1	172.4	166.3	165.2	50.8	0	0	109.1	P734 W743 E787	P734-Q779 VanDerWaalsContact CA-OE1 3.23Å; P734-Q779 HydrophobicContact CB-CG 4.11Å; W743-Q779 HydrophobicContact CG-CB 4.42Å; Q779-E787 WeakPolarHBondContact CA-OE1 3.46Å; Q779-E787 HydrophobicContact CB-CG 4.13Å; Q779-E787 HydrophobicContact CG-CG 4.34Å; Q779-E787 WeakPolarHBondContact CG-OE2 3.18Å; Q779-E787 PolarHBondContact NE2-OE2 2.91Å
780	D	90.8	Very high	92.7	Very high	70 Å²	70	46.8 Å²	46.8	37%	0.374	24%	0.24	S	C	.	.			trans	-135.1	135.5	175.4	-161.2	-47.4	0	0	0	108	S782 D783	D780-S782 PolarHBondContact O-N 3.01Å; D780-S782 PolarHBondContact OD1-N 2.6Å; D780-S782 PolarHBondContact OD1-OG 3.28Å; D780-D783 HydrophobicContact CB-CB 4.36Å
781	F	93.9	Very high	92.8	Very high	22 Å²	22	43.8 Å²	43.8	10%	0.096	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	22.6	-176.5	52.9	-102.7	0	0	0	112.5	C601 L602 V626 V627 L628 D629 N732 I733 M853	C601-F781 HydrophobicContact CB-CE1 4.28Å; L602-F781 HydrophobicContact CD2-CE2 4.3Å; L602-F781 HydrophobicContact CD2-CZ 4.19Å; V626-F781 HydrophobicContact CB-CE2 4.47Å; V626-F781 HydrophobicContact CG2-CE2 3.99Å; V626-F781 HydrophobicContact CG2-CZ 4.46Å; V627-F781 WeakPolarHBondContact O-CD2 3.42Å; V627-F781 WeakPolarHBondContact O-CE2 2.93Å; L628-F781 CarbonylContact C-O 3.58Å; L628-F781 WeakPolarHBondContact CA-O 3.24Å; L628-F781 HydrophobicContact CD1-CB 4.04Å; L628-F781 HydrophobicContact CD1-CD2 4.11Å; L628-F781 HydrophobicContact CD1-CG 4.32Å; D629-F781 PolarHBondContact N-O 2.77Å; N732-F781 WeakPolarHBondContact O-CA 3.43Å; N732-F781 WeakPolarHBondContact O-CB 3.42Å; I733-F781 HydrophobicContact CG2-CB 4.02Å; F781-M853 HydrophobicContact CE1-CE 4.45Å; F781-M853 HydrophobicContact CZ-CE 3.76Å
782	S	94.8	Very high	92.8	Very high	42 Å²	42	44 Å²	44	29%	0.294	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-144.3	4	-173.7	67.3	0	0	0	0	115.4	D629 D780 Q848	D629-S782 WeakPolarHBondContact OD2-CA 3.22Å; D629-S782 PolarHBondContact OD2-N 2.72Å; D780-S782 PolarHBondContact O-N 3.01Å; D780-S782 PolarHBondContact OD1-N 2.6Å; D780-S782 PolarHBondContact OD1-OG 3.28Å; S782-Q848 PolarHBondContact O-NE2 3.28Å
783	D	94.8	Very high	92.6	Very high	66 Å²	66	37 Å²	37	35%	0.353	19%	0.189	S	C	.	.	S	Bend	trans	-94.9	3.5	-177.8	74.8	-2.3	0	0	0	114.3	D629 D780 L785	D629-D783 PolarHBondContact OD2-N 3.3Å; D780-D783 HydrophobicContact CB-CB 4.36Å; D783-L785 VanDerWaalsContact C-N 3.33Å; D783-L785 VanDerWaalsContact OD1-CB 3.32Å; D783-L785 WeakPolarHBondContact OD1-CB 3.41Å; D783-L785 PolarHBondContact OD1-N 3Å
784	Q	96.3	Very high	92.2	Very high	93 Å²	93	34.2 Å²	34.2	44%	0.435	18%	0.178	S	C	.	.	S	Bend	trans	62.1	35.3	-176.7	-59.3	173.4	11.3	0	0	113.4	D629 W631	D629-Q784 WeakPolarHBondContact OD1-CG 3.45Å; D629-Q784 WeakPolarHBondContact OD2-CA 3.27Å; D629-Q784 PolarHBondContact OD2-N 2.69Å; W631-Q784 WeakPolarHBondContact CH2-O 3.23Å
785	L	96.2	Very high	91.9	Very high	17 Å²	17	39.2 Å²	39.2	9%	0.089	20%	0.203	C	C	.	.			trans	-122.6	163.4	170.1	-57.2	172.4	0	0	0	112.1	W631 D783 Q813 C814 A815	W631-L785 WeakPolarHBondContact CZ2-O 3.43Å; D783-L785 VanDerWaalsContact C-N 3.33Å; D783-L785 VanDerWaalsContact OD1-CB 3.32Å; D783-L785 WeakPolarHBondContact OD1-CB 3.41Å; D783-L785 PolarHBondContact OD1-N 3Å; L785-Q813 HydrophobicContact CB-CG 4.06Å; L785-Q813 HydrophobicContact CD1-CG 4.05Å; L785-C814 CarbonylContact C-O 3.51Å; L785-C814 VanDerWaalsContact CA-O 3.32Å; L785-C814 WeakPolarHBondContact CA-O 3.42Å; L785-A815 HydrophobicContact CD2-CB 4.1Å
786	L	97.1	Very high	91.7	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	138.1	173.1	-72.1	168.3	0	0	0	109.7	W631 I730 L731 N732 Q813 C814 V817 I843	W631-L786 HydrophobicContact CD2-CD1 3.77Å; W631-L786 HydrophobicContact CD2-CD2 3.74Å; W631-L786 HydrophobicContact CD2-CG 3.79Å; W631-L786 HydrophobicContact CE3-CD1 3.55Å; W631-L786 HydrophobicContact CE3-CD2 4.36Å; W631-L786 HydrophobicContact CE3-CG 3.91Å; W631-L786 HydrophobicContact CG-CD1 4.37Å; W631-L786 HydrophobicContact CG-CD2 3.97Å; W631-L786 HydrophobicContact CG-CG 4.47Å; W631-L786 HydrophobicContact CH2-CD1 4.28Å; W631-L786 HydrophobicContact CH2-CG 3.88Å; W631-L786 HydrophobicContact CZ2-CD1 4.46Å; W631-L786 HydrophobicContact CZ2-CD2 4.01Å; W631-L786 HydrophobicContact CZ2-CG 3.74Å; W631-L786 HydrophobicContact CZ3-CD1 3.83Å; W631-L786 HydrophobicContact CZ3-CG 3.96Å; I730-L786 HydrophobicContact CG2-CB 4.12Å; I730-L786 HydrophobicContact CG2-CD1 3.77Å; I730-L786 HydrophobicContact CG2-CD2 4.15Å; I730-L786 HydrophobicContact CG2-CG 4.24Å; L731-L786 VanDerWaalsContact O-CD2 3.29Å; L731-L786 WeakPolarHBondContact O-CD2 3.34Å; N732-L786 HydrophobicContact CB-CD2 4.23Å; L786-Q813 WeakPolarHBondContact O-CA 3.47Å; L786-C814 PolarHBondContact N-O 3.47Å; L786-C814 PolarHBondContact O-N 3.2Å; L786-C814 VanDerWaalsContact O-N 3.16Å; L786-V817 HydrophobicContact CD1-CG2 4.2Å; L786-I843 HydrophobicContact CD1-CG2 3.74Å
787	E	96.9	Very high	91.4	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	127.4	167.8	-74	70.6	-148.8	0	0	111	L731 W743 Q779 Q813	L731-E787 HydrophobicContact CB-CB 4.09Å; L731-E787 HydrophobicContact CD1-CB 4.03Å; L731-E787 HydrophobicContact CG-CB 4.12Å; L731-E787 PolarHBondContact N-O 3.24Å; L731-E787 PolarHBondContact O-N 3.22Å; L731-E787 VanDerWaalsContact O-N 3.13Å; W743-E787 HydrophobicContact CD2-CB 3.94Å; W743-E787 HydrophobicContact CD2-CG 3.4Å; W743-E787 HydrophobicContact CE3-CB 3.59Å; W743-E787 HydrophobicContact CE3-CG 3.58Å; W743-E787 HydrophobicContact CG-CG 3.9Å; W743-E787 HydrophobicContact CH2-CB 4.11Å; W743-E787 HydrophobicContact CH2-CG 3.76Å; W743-E787 HydrophobicContact CZ2-CB 4.44Å; W743-E787 HydrophobicContact CZ2-CG 3.6Å; W743-E787 HydrophobicContact CZ3-CB 3.69Å; W743-E787 HydrophobicContact CZ3-CG 3.75Å; Q779-E787 WeakPolarHBondContact CA-OE1 3.46Å; Q779-E787 HydrophobicContact CB-CG 4.13Å; Q779-E787 HydrophobicContact CG-CG 4.34Å; Q779-E787 WeakPolarHBondContact CG-OE2 3.18Å; Q779-E787 PolarHBondContact NE2-OE2 2.91Å; E787-Q813 PolarHBondContact OE1-NE2 2.98Å
788	V	97.3	Very high	90.9	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	117	178.7	-175.6	0	0	0	0	108.7	L711 I730 L811 A812 C814 V817	L711-V788 HydrophobicContact CD1-CG1 4.3Å; L711-V788 HydrophobicContact CD2-CG1 3.86Å; I730-V788 HydrophobicContact CD1-CB 4.26Å; I730-V788 HydrophobicContact CD1-CG1 3.76Å; I730-V788 HydrophobicContact CD1-CG2 4.01Å; V788-L811 HydrophobicContact CB-CB 4.44Å; V788-L811 HydrophobicContact CG1-CB 4.1Å; V788-L811 HydrophobicContact CG1-CD1 4.32Å; V788-L811 WeakPolarHBondContact O-CB 3.29Å; V788-L811 PolarHBondContact O-N 2.8Å; V788-A812 HydrophobicContact CB-CB 4.04Å; V788-A812 HydrophobicContact CG2-CB 4.15Å; V788-A812 PolarHBondContact N-O 3.14Å; V788-A812 PolarHBondContact O-N 3.44Å; V788-C814 VanDerWaalsContact CG2-SG 3.58Å; V788-V817 HydrophobicContact CG2-CG2 3.96Å
789	V	95.9	Very high	90.6	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	127.7	-174.3	179.7	0	0	0	0	111.7	I728 A729 L731 L742 W743 L791 H809	I728-V789 CarbonylContact C-O 3.56Å; I728-V789 WeakPolarHBondContact CA-O 3.28Å; A729-V789 PolarHBondContact N-O 3.37Å; A729-V789 PolarHBondContact O-N 3.48Å; L731-V789 HydrophobicContact CD1-CG2 3.85Å; L731-V789 HydrophobicContact CG-CG2 4.33Å; L742-V789 HydrophobicContact CB-CG1 4.34Å; W743-V789 HydrophobicContact CE3-CG2 3.64Å; W743-V789 HydrophobicContact CZ3-CG2 4.1Å; V789-L791 HydrophobicContact CG1-CD2 4.45Å; V789-H809 CarbonylContact C-O 3.48Å; V789-H809 VanDerWaalsContact CA-O 3.3Å; V789-H809 WeakPolarHBondContact CA-O 3.37Å
790	G	94.9	Very high	90.2	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	143.7	169.9	0	0	0	0	0	111.9	H809	G790-H809 PolarHBondContact N-O 2.74Å; G790-H809 PolarHBondContact O-N 2.86Å
791	L	92.6	Very high	89.7	Confident	1 Å²	1	31 Å²	31	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	129.6	178.3	-63.5	168.5	0	0	0	111.8	L725 E726 G727 L742 V789 G793 E796 M797 I800	L725-L791 WeakPolarHBondContact CA-O 3.33Å; E726-L791 PolarHBondContact N-O 3.2Å; G727-L791 PolarHBondContact N-O 3.3Å; G727-L791 VanDerWaalsContact N-O 3.1Å; G727-L791 PolarHBondContact O-N 2.77Å; L742-L791 HydrophobicContact CD1-CD1 4.12Å; L742-L791 HydrophobicContact CD1-CD2 4.19Å; V789-L791 HydrophobicContact CG1-CD2 4.45Å; L791-G793 VanDerWaalsContact C-N 3.33Å; L791-E796 VanDerWaalsContact CA-OE2 3.25Å; L791-E796 WeakPolarHBondContact CA-OE2 3.27Å; L791-M797 HydrophobicContact CD1-CG 3.93Å; L791-M797 HydrophobicContact CD1-SD 3.71Å; L791-M797 HydrophobicContact CD2-CG 4.12Å; L791-M797 HydrophobicContact CG-CG 4.49Å; L791-I800 HydrophobicContact CD2-CD1 4.32Å
792	E	89.8	Confident	88.9	Confident	82 Å²	82	34.4 Å²	34.4	38%	0.383	19%	0.185	S	C	.	.			trans	-70.8	-26.6	177.9	-62	168.8	161.5	0	0	112.4	E726 E796 K805 H809	E726-E792 WeakPolarHBondContact CG-O 3.47Å; E792-E796 HydrophobicContact CB-CB 4.16Å; E792-E796 PolarHBondContact N-OE2 3.17Å; E792-K805 IonicContact OE1-NZ 2.74Å; E792-K805 PolarHBondContact OE1-NZ 2.75Å; E792-K805 IonicContact OE2-NZ 3.24Å; E792-K805 PolarHBondContact OE2-NZ 2.9Å; E792-H809 WeakPolarHBondContact CG-NE2 3.24Å; E792-H809 IonicContact OE1-CD2 2.86Å; E792-H809 IonicContact OE1-CE1 3.92Å; E792-H809 IonicContact OE1-NE2 3.78Å; E792-H809 PolarHBondContact OE1-NE2 3.19Å
793	G	85.6	Confident	88.2	Confident	6 Å²	6	35.5 Å²	35.5	6%	0.062	20%	0.203	C	C	.	.			trans	154.4	-179.6	178.9	0	0	0	0	0	115.3	E726 L791 I795 E796 M797	E726-G793 WeakPolarHBondContact OE2-CA 3.18Å; L791-G793 VanDerWaalsContact C-N 3.33Å; G793-I795 PolarHBondContact O-N 3.24Å; G793-E796 WeakPolarHBondContact O-CB 3.4Å; G793-E796 PolarHBondContact O-N 2.9Å; G793-M797 PolarHBondContact O-N 2.85Å
794	A	83	Confident	87.5	Confident	9 Å²	9	39.1 Å²	39.1	7%	0.074	22%	0.221	C	C	.	.	H	α-helix	trans	-61.5	-28.4	-176.2	0	0	0	0	0	113.7	V660 I664 T697 G798	V660-A794 HydrophobicContact CG2-CB 3.85Å; I664-A794 HydrophobicContact CD1-CB 4.3Å; T697-A794 WeakPolarHBondContact OG1-CB 3.5Å; A794-G798 PolarHBondContact O-N 3.38Å
795	I	83.5	Confident	86.9	Confident	106 Å²	106	37.4 Å²	37.4	54%	0.544	21%	0.212	S	C	.	.	H	α-helix	trans	-64.7	-44.2	173	-60	178.2	0	0	0	110.8	T697 G793 G798 Q799	T697-I795 HydrophobicContact CG2-CD1 3.69Å; T697-I795 HydrophobicContact CG2-CG1 3.42Å; T697-I795 VanDerWaalsContact CG2-CG1 3.42Å; G793-I795 PolarHBondContact O-N 3.24Å; I795-G798 PolarHBondContact O-N 2.81Å; I795-Q799 WeakPolarHBondContact O-CG 3.28Å; I795-Q799 PolarHBondContact O-N 2.92Å
796	E	84.7	Confident	86.1	Confident	5 Å²	5	41.5 Å²	41.5	2%	0.023	24%	0.243	C	C	.	.	H	α-helix	trans	-63.5	-48.3	179.6	-171.2	-162.1	-161.4	0	0	110.4	L791 E792 G793 G798 Q799 I800 K805 G808	L791-E796 VanDerWaalsContact CA-OE2 3.25Å; L791-E796 WeakPolarHBondContact CA-OE2 3.27Å; E792-E796 HydrophobicContact CB-CB 4.16Å; E792-E796 PolarHBondContact N-OE2 3.17Å; G793-E796 WeakPolarHBondContact O-CB 3.4Å; G793-E796 PolarHBondContact O-N 2.9Å; E796-G798 VanDerWaalsContact C-N 3.29Å; E796-G798 PolarHBondContact O-N 3.18Å; E796-Q799 CarbonylContact O-C 3.16Å; E796-Q799 WeakPolarHBondContact O-CA 3.24Å; E796-Q799 WeakPolarHBondContact O-CB 3.45Å; E796-Q799 PolarHBondContact O-N 2.82Å; E796-I800 HydrophobicContact CG-CD1 4.12Å; E796-I800 WeakPolarHBondContact O-CG1 2.98Å; E796-I800 PolarHBondContact O-N 2.76Å; E796-K805 VanDerWaalsContact CD-NZ 3.35Å; E796-K805 HydrophobicContact CG-CD 3.53Å; E796-K805 WeakPolarHBondContact OE1-CE 3.41Å; E796-K805 IonicContact OE1-NZ 3.39Å; E796-K805 PolarHBondContact OE1-NZ 2.93Å; E796-G808 WeakPolarHBondContact OE1-CA 3.31Å
797	M	82.3	Confident	85.6	Confident	3 Å²	3	42.3 Å²	42.3	2%	0.015	25%	0.249	C	C	.	.	H	α-helix	trans	-54.9	-46.3	173.5	-68.9	-156.9	-58.1	0	0	111.5	V660 D661 I664 L791 G793 Q799 I800 Y801	V660-M797 HydrophobicContact CG1-CE 4.08Å; V660-M797 HydrophobicContact CG1-SD 4.48Å; V660-M797 HydrophobicContact CG2-CE 4.43Å; D661-M797 HydrophobicContact CB-CE 4.18Å; D661-M797 HydrophobicContact CB-SD 3.94Å; I664-M797 HydrophobicContact CD1-CE 3.59Å; L791-M797 HydrophobicContact CD1-CG 3.93Å; L791-M797 HydrophobicContact CD1-SD 3.71Å; L791-M797 HydrophobicContact CD2-CG 4.12Å; L791-M797 HydrophobicContact CG-CG 4.49Å; G793-M797 PolarHBondContact O-N 2.85Å; M797-Q799 VanDerWaalsContact C-N 3.29Å; M797-Q799 PolarHBondContact O-N 2.83Å; M797-I800 PolarHBondContact O-N 3.1Å; M797-I800 VanDerWaalsContact O-N 3.07Å; M797-Y801 HydrophobicContact CB-CD2 4.41Å; M797-Y801 HydrophobicContact CB-CE2 3.78Å; M797-Y801 WeakPolarHBondContact O-CB 3.39Å; M797-Y801 WeakPolarHBondContact O-CD1 3.39Å; M797-Y801 VanDerWaalsContact O-CD2 3.31Å; M797-Y801 WeakPolarHBondContact O-CD2 3.49Å; M797-Y801 PolarHBondContact O-N 2.86Å; M797-Y801 PolarHBondContact SD-OH 2.82Å
798	G	78.9	Confident	85.3	Confident	28 Å²	28	42.8 Å²	42.8	29%	0.289	25%	0.254	S	S	.	.	H	α-helix	trans	-58.7	-36.5	174.9	0	0	0	0	0	113.7	A794 I795 E796 T802	A794-G798 PolarHBondContact O-N 3.38Å; I795-G798 PolarHBondContact O-N 2.81Å; E796-G798 VanDerWaalsContact C-N 3.29Å; E796-G798 PolarHBondContact O-N 3.18Å; G798-T802 WeakPolarHBondContact O-CB 3.45Å; G798-T802 WeakPolarHBondContact O-CG2 3.4Å; G798-T802 PolarHBondContact O-N 2.81Å; G798-T802 VanDerWaalsContact O-N 3.11Å; G798-T802 PolarHBondContact O-OG1 2.76Å
799	Q	82.8	Confident	85.1	Confident	78 Å²	78	45.8 Å²	45.8	36%	0.364	27%	0.268	S	S	.	.	H	α-helix	trans	-69.8	-36.6	173.1	-70.4	176	4.1	0	0	112.4	I795 E796 M797 T802 G803 L804 K805	I795-Q799 WeakPolarHBondContact O-CG 3.28Å; I795-Q799 PolarHBondContact O-N 2.92Å; E796-Q799 CarbonylContact O-C 3.16Å; E796-Q799 WeakPolarHBondContact O-CA 3.24Å; E796-Q799 WeakPolarHBondContact O-CB 3.45Å; E796-Q799 PolarHBondContact O-N 2.82Å; M797-Q799 VanDerWaalsContact C-N 3.29Å; M797-Q799 PolarHBondContact O-N 2.83Å; Q799-T802 WeakPolarHBondContact CA-OG1 3.43Å; Q799-T802 PolarHBondContact O-OG1 2.83Å; Q799-G803 PolarHBondContact O-N 2.95Å; Q799-G803 VanDerWaalsContact O-N 3.13Å; Q799-L804 HydrophobicContact CB-CB 4.12Å; Q799-L804 HydrophobicContact CG-CB 4.39Å; Q799-L804 WeakPolarHBondContact O-CA 3.17Å; Q799-L804 PolarHBondContact O-N 3.41Å; Q799-K805 HydrophobicContact CB-CB 3.81Å; Q799-K805 PolarHBondContact O-N 3.46Å
800	I	83.2	Confident	85.1	Confident	13 Å²	13	47.5 Å²	47.5	7%	0.067	27%	0.274	C	S	.	.	H	α-helix	trans	-69.7	-45	175.9	-59	162.7	0	0	0	110.3	L742 L791 E796 M797 T802 G803 K805	L742-I800 HydrophobicContact CD2-CB 4.2Å; L742-I800 HydrophobicContact CD2-CD1 4.02Å; L742-I800 HydrophobicContact CD2-CG2 3.63Å; L791-I800 HydrophobicContact CD2-CD1 4.32Å; E796-I800 HydrophobicContact CG-CD1 4.12Å; E796-I800 WeakPolarHBondContact O-CG1 2.98Å; E796-I800 PolarHBondContact O-N 2.76Å; M797-I800 PolarHBondContact O-N 3.1Å; M797-I800 VanDerWaalsContact O-N 3.07Å; I800-T802 PolarHBondContact O-N 3.31Å; I800-G803 PolarHBondContact O-N 2.94Å; I800-K805 HydrophobicContact CG1-CB 3.95Å; I800-K805 HydrophobicContact CG1-CD 4.49Å; I800-K805 HydrophobicContact CG1-CG 4.44Å
801	Y	78.6	Confident	85.1	Confident	81 Å²	81	48.3 Å²	48.3	32%	0.318	28%	0.279	S	S	.	.	H	α-helix	trans	-63.1	-27.5	177.8	-58.6	-20.8	0	0	0	113.6	H737 S740 L742 M797	H737-Y801 HydrophobicContact CB-CE1 3.88Å; H737-Y801 HydrophobicContact CB-CE2 4.48Å; H737-Y801 AromaticContact CD2-CE1 3.55Å; H737-Y801 AromaticContact CD2-CZ 3.57Å; H737-Y801 PolarHBondContact CD2-OH 3.25Å; H737-Y801 AromaticContact CG-CE1 3.85Å; H737-Y801 AromaticContact CG-CZ 3.62Å; H737-Y801 PolarHBondContact NE2-OH 3.44Å; S740-Y801 VanDerWaalsContact OG-CD1 3.32Å; S740-Y801 WeakPolarHBondContact OG-CD1 3.27Å; L742-Y801 HydrophobicContact CD2-CE1 4.09Å; M797-Y801 HydrophobicContact CB-CD2 4.41Å; M797-Y801 HydrophobicContact CB-CE2 3.78Å; M797-Y801 WeakPolarHBondContact O-CB 3.39Å; M797-Y801 WeakPolarHBondContact O-CD1 3.39Å; M797-Y801 VanDerWaalsContact O-CD2 3.31Å; M797-Y801 WeakPolarHBondContact O-CD2 3.49Å; M797-Y801 PolarHBondContact O-N 2.86Å; M797-Y801 PolarHBondContact SD-OH 2.82Å
802	T	77.9	Confident	85.3	Confident	92 Å²	92	48.2 Å²	48.2	56%	0.564	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-4.2	173.9	51.7	0	0	0	0	113.6	G798 Q799 I800 L804	G798-T802 WeakPolarHBondContact O-CB 3.45Å; G798-T802 WeakPolarHBondContact O-CG2 3.4Å; G798-T802 PolarHBondContact O-N 2.81Å; G798-T802 VanDerWaalsContact O-N 3.11Å; G798-T802 PolarHBondContact O-OG1 2.76Å; Q799-T802 WeakPolarHBondContact CA-OG1 3.43Å; Q799-T802 PolarHBondContact O-OG1 2.83Å; I800-T802 PolarHBondContact O-N 3.31Å; T802-L804 VanDerWaalsContact C-N 3.3Å; T802-L804 PolarHBondContact O-N 3.32Å; T802-L804 WeakPolarHBondContact OG1-CD1 3.45Å; T802-L804 WeakPolarHBondContact OG1-CG 3.46Å
803	G	79.3	Confident	85.7	Confident	65 Å²	65	45 Å²	45	67%	0.67	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.8	21	-177.3	0	0	0	0	0	114.6	Q799 I800	Q799-G803 PolarHBondContact O-N 2.95Å; Q799-G803 VanDerWaalsContact O-N 3.13Å; I800-G803 PolarHBondContact O-N 2.94Å
804	L	80.6	Confident	86.2	Confident	143 Å²	143	44.7 Å²	44.7	75%	0.749	26%	0.26	S	S	*	.	S	Bend	trans	-83	-32.9	173	-63.6	176.3	0	0	0	112.2	Q799 T802	Q799-L804 HydrophobicContact CB-CB 4.12Å; Q799-L804 HydrophobicContact CG-CB 4.39Å; Q799-L804 WeakPolarHBondContact O-CA 3.17Å; Q799-L804 PolarHBondContact O-N 3.41Å; T802-L804 VanDerWaalsContact C-N 3.3Å; T802-L804 PolarHBondContact O-N 3.32Å; T802-L804 WeakPolarHBondContact OG1-CD1 3.45Å; T802-L804 WeakPolarHBondContact OG1-CG 3.46Å
805	K	84.3	Confident	86.8	Confident	56 Å²	56	45.6 Å²	45.6	24%	0.243	27%	0.268	C	S	.	.	S	Bend	trans	-112.1	147.9	166.5	-159.6	179.2	-166.6	-177.4	0	108.2	E792 E796 Q799 I800	E792-K805 IonicContact OE1-NZ 2.74Å; E792-K805 PolarHBondContact OE1-NZ 2.75Å; E792-K805 IonicContact OE2-NZ 3.24Å; E792-K805 PolarHBondContact OE2-NZ 2.9Å; E796-K805 VanDerWaalsContact CD-NZ 3.35Å; E796-K805 HydrophobicContact CG-CD 3.53Å; E796-K805 WeakPolarHBondContact OE1-CE 3.41Å; E796-K805 IonicContact OE1-NZ 3.39Å; E796-K805 PolarHBondContact OE1-NZ 2.93Å; Q799-K805 HydrophobicContact CB-CB 3.81Å; Q799-K805 PolarHBondContact O-N 3.46Å; I800-K805 HydrophobicContact CG1-CB 3.95Å; I800-K805 HydrophobicContact CG1-CD 4.49Å; I800-K805 HydrophobicContact CG1-CG 4.44Å
806	S	80	Confident	87.5	Confident	104 Å²	104	44 Å²	44	73%	0.727	26%	0.26	S	S	*	.			trans	-96.8	-12.8	-170.2	61.3	0	0	0	0	115.4	G744	G744-S806 WeakPolarHBondContact CA-O 3.36Å
807	A	86.8	Confident	88.1	Confident	16 Å²	16	43.7 Å²	43.7	13%	0.132	26%	0.259	C	S	.	.			trans	-169.3	164.1	-177.8	0	0	0	0	0	109.2	L742 W743	L742-A807 CarbonylContact O-C 3.56Å; L742-A807 WeakPolarHBondContact O-CA 3.17Å; L742-A807 WeakPolarHBondContact O-CB 3.34Å; W743-A807 VanDerWaalsContact O-CB 3.25Å; W743-A807 WeakPolarHBondContact O-CB 3.15Å
808	G	90.6	Very high	88.9	Confident	10 Å²	10	44.5 Å²	44.5	10%	0.103	26%	0.264	C	S	.	.			trans	-81.1	-165.1	157.7	0	0	0	0	0	111.7	L742 E796 R810	L742-G808 PolarHBondContact O-N 3.48Å; E796-G808 WeakPolarHBondContact OE1-CA 3.31Å; G808-R810 PolarHBondContact O-N 3.07Å
809	H	92.8	Very high	89.8	Confident	63 Å²	63	43.2 Å²	43.2	29%	0.292	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	110.1	173.8	-70	-77.8	0	0	0	110.7	V789 G790 E792 L811	V789-H809 CarbonylContact C-O 3.48Å; V789-H809 VanDerWaalsContact CA-O 3.3Å; V789-H809 WeakPolarHBondContact CA-O 3.37Å; G790-H809 PolarHBondContact N-O 2.74Å; G790-H809 PolarHBondContact O-N 2.86Å; E792-H809 WeakPolarHBondContact CG-NE2 3.24Å; E792-H809 IonicContact OE1-CD2 2.86Å; E792-H809 IonicContact OE1-CE1 3.92Å; E792-H809 IonicContact OE1-NE2 3.78Å; E792-H809 PolarHBondContact OE1-NE2 3.19Å; H809-L811 HydrophobicContact CB-CD2 4.23Å; H809-L811 PolarHBondContact O-N 3.25Å
810	R	94.4	Very high	90.5	Very high	36 Å²	36	43.5 Å²	43.5	14%	0.136	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	114.6	168.8	-56.6	-168.5	178.7	-161.8	-8.8	108.9	W743 G744 S746 L774 C777 G808	W743-R810 VanDerWaalsContact CD1-CZ 3.46Å; W743-R810 HydrophobicContact CD2-CG 3.89Å; W743-R810 HydrophobicContact CE3-CB 3.95Å; W743-R810 HydrophobicContact CE3-CG 3.47Å; W743-R810 VanDerWaalsContact CE3-CG 3.47Å; W743-R810 HydrophobicContact CH2-CB 3.92Å; W743-R810 HydrophobicContact CH2-CG 4.12Å; W743-R810 HydrophobicContact CZ2-CG 4.46Å; W743-R810 HydrophobicContact CZ3-CB 3.53Å; W743-R810 HydrophobicContact CZ3-CG 3.61Å; W743-R810 VanDerWaalsContact NE1-NH1 3.19Å; W743-R810 PolarHBondContact O-NE 2.77Å; W743-R810 PolarHBondContact O-NH2 2.65Å; G744-R810 PolarHBondContact O-NH2 3.37Å; S746-R810 PolarHBondContact OG-NH1 2.83Å; L774-R810 HydrophobicContact CB-CB 4.15Å; L774-R810 HydrophobicContact CD1-CB 4.15Å; L774-R810 WeakPolarHBondContact CD1-O 3.32Å; L774-R810 VanDerWaalsContact O-CD 3.25Å; L774-R810 WeakPolarHBondContact O-CD 3.48Å; L774-R810 PolarHBondContact O-NH1 3.04Å; C777-R810 PolarHBondContact O-NH1 2.91Å; C777-R810 VanDerWaalsContact O-NH1 3.11Å; G808-R810 PolarHBondContact O-N 3.07Å
811	L	95.6	Very high	91.1	Very high	17 Å²	17	43 Å²	43	9%	0.089	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	-45.5	-178.5	-58.3	179.3	0	0	0	112.1	L711 L718 L720 I723 L725 L774 V788 H809	L711-L811 HydrophobicContact CD2-CD1 3.96Å; L718-L811 HydrophobicContact CD1-CB 3.98Å; L720-L811 HydrophobicContact CD2-CD1 4.06Å; L720-L811 HydrophobicContact CD2-CD2 4.33Å; I723-L811 HydrophobicContact CD1-CD2 3.9Å; L725-L811 HydrophobicContact CD1-CD1 4.38Å; L774-L811 WeakPolarHBondContact CD1-O 3.31Å; V788-L811 HydrophobicContact CB-CB 4.44Å; V788-L811 HydrophobicContact CG1-CB 4.1Å; V788-L811 HydrophobicContact CG1-CD1 4.32Å; V788-L811 WeakPolarHBondContact O-CB 3.29Å; V788-L811 PolarHBondContact O-N 2.8Å; H809-L811 HydrophobicContact CB-CD2 4.23Å; H809-L811 PolarHBondContact O-N 3.25Å
812	A	97.1	Very high	91.8	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	162.7	176.8	0	0	0	0	0	112.9	C713 L718 W743 V768 T769 V788	C713-A812 HydrophobicContact CB-CB 4.14Å; L718-A812 HydrophobicContact CD1-CB 4.02Å; W743-A812 WeakPolarHBondContact CH2-O 3.49Å; V768-A812 CarbonylContact O-C 3.53Å; V768-A812 VanDerWaalsContact O-CA 3.22Å; V768-A812 WeakPolarHBondContact O-CA 3.18Å; T769-A812 HydrophobicContact CG2-CB 4.12Å; V788-A812 HydrophobicContact CB-CB 4.04Å; V788-A812 HydrophobicContact CG2-CB 4.15Å; V788-A812 PolarHBondContact N-O 3.14Å; V788-A812 PolarHBondContact O-N 3.44Å
813	Q	96.9	Very high	92.5	Very high	14 Å²	14	42.8 Å²	42.8	7%	0.065	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	120.5	157.9	-166.3	-179.2	37.9	0	0	107	W743 T767 V768 L774 C777 V778 L785 L786 E787	W743-Q813 HydrophobicContact CH2-CB 4.3Å; W743-Q813 HydrophobicContact CZ2-CB 4.38Å; T767-Q813 WeakPolarHBondContact CA-O 3.4Å; V768-Q813 PolarHBondContact N-O 3.03Å; V768-Q813 PolarHBondContact O-N 3.41Å; L774-Q813 HydrophobicContact CD2-CB 4.25Å; C777-Q813 VanDerWaalsContact CB-OE1 3.25Å; C777-Q813 PolarHBondContact SG-OE1 3.27Å; V778-Q813 PolarHBondContact O-NE2 2.75Å; L785-Q813 HydrophobicContact CB-CG 4.06Å; L785-Q813 HydrophobicContact CD1-CG 4.05Å; L786-Q813 WeakPolarHBondContact O-CA 3.47Å; E787-Q813 PolarHBondContact OE1-NE2 2.98Å
814	C	96.8	Very high	93.2	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	163.5	-163.3	57.5	0	0	0	0	113	C713 D714 T767 L785 L786 V788 V817	C713-C814 HydrophobicContact CB-CB 3.81Å; D714-C814 VanDerWaalsContact OD2-CA 3.26Å; D714-C814 WeakPolarHBondContact OD2-CA 3.47Å; D714-C814 WeakPolarHBondContact OD2-CB 3.49Å; T767-C814 HydrophobicContact CG2-CB 3.85Å; L785-C814 CarbonylContact C-O 3.51Å; L785-C814 VanDerWaalsContact CA-O 3.32Å; L785-C814 WeakPolarHBondContact CA-O 3.42Å; L786-C814 PolarHBondContact N-O 3.47Å; L786-C814 PolarHBondContact O-N 3.2Å; L786-C814 VanDerWaalsContact O-N 3.16Å; V788-C814 VanDerWaalsContact CG2-SG 3.58Å; C814-V817 WeakPolarHBondContact SG-CG2 3.46Å
815	A	96.3	Very high	93.9	Very high	28 Å²	28	37.7 Å²	37.7	23%	0.231	20%	0.198	C	C	.	.	S	Bend	trans	-97.2	-15.3	178.8	0	0	0	0	0	113.7	W631 D714 L785	W631-A815 VanDerWaalsContact CZ3-O 3.32Å; W631-A815 WeakPolarHBondContact CZ3-O 3.4Å; D714-A815 PolarHBondContact OD1-N 3.32Å; D714-A815 PolarHBondContact OD2-N 2.86Å; L785-A815 HydrophobicContact CD2-CB 4.1Å
816	N	96.7	Very high	94.4	Very high	71 Å²	71	35.5 Å²	35.5	38%	0.38	19%	0.189	S	C	.	.			trans	-144	139.2	179.9	-52.9	-95.2	0	0	0	109.6	C713 D714	C713-N816 WeakPolarHBondContact CA-O 3.44Å; D714-N816 PolarHBondContact N-O 3.24Å; D714-N816 WeakPolarHBondContact OD1-CB 3.4Å; D714-N816 PolarHBondContact OD1-N 2.96Å; D714-N816 PolarHBondContact OD1-ND2 3.24Å
817	V	98.4	Very high	95.2	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	127.7	177.8	-178.5	0	0	0	0	110	L711 E712 I730 L786 V788 C814 I819 I843	L711-V817 HydrophobicContact CD1-CG1 3.86Å; E712-V817 WeakPolarHBondContact O-CA 3.34Å; I730-V817 HydrophobicContact CD1-CG1 4.02Å; I730-V817 HydrophobicContact CG2-CG2 4.27Å; L786-V817 HydrophobicContact CD1-CG2 4.2Å; V788-V817 HydrophobicContact CG2-CG2 3.96Å; C814-V817 WeakPolarHBondContact SG-CG2 3.46Å; V817-I819 HydrophobicContact CG1-CD1 4.06Å; V817-I819 HydrophobicContact CG1-CG1 3.93Å; V817-I843 HydrophobicContact CB-CB 4.32Å; V817-I843 PolarHBondContact N-O 3.22Å; V817-I843 VanDerWaalsContact N-O 3.08Å; V817-I843 PolarHBondContact O-N 3.37Å
818	T	98.4	Very high	95.6	Very high	19 Å²	19	29.8 Å²	29.8	12%	0.117	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	131.9	168	-57.3	0	0	0	0	109.4	E712 R820 T840 V841 I842	E712-T818 PolarHBondContact N-O 2.99Å; E712-T818 PolarHBondContact O-N 3.1Å; T818-R820 HydrophobicContact CG2-CG 4.33Å; T818-T840 HydrophobicContact CG2-CG2 3.69Å; T818-V841 CarbonylContact C-O 3.58Å; T818-V841 WeakPolarHBondContact CA-O 3.12Å; T818-I842 HydrophobicContact CG2-CG1 4.37Å
819	I	98	Very high	95.7	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	121.3	179.3	-64.5	160.9	0	0	0	108	F656 I709 E710 L711 I730 V817 T821 T840 V841	F656-I819 HydrophobicContact CE1-CD1 3.85Å; I709-I819 HydrophobicContact CD1-CG2 4.3Å; I709-I819 HydrophobicContact CG2-CG2 3.8Å; E710-I819 WeakPolarHBondContact O-CA 3.38Å; L711-I819 HydrophobicContact CD1-CD1 4.45Å; L711-I819 HydrophobicContact CD1-CG1 3.73Å; I730-I819 HydrophobicContact CD1-CD1 4.36Å; I730-I819 HydrophobicContact CG1-CD1 4.26Å; V817-I819 HydrophobicContact CG1-CD1 4.06Å; V817-I819 HydrophobicContact CG1-CG1 3.93Å; I819-T821 HydrophobicContact CG2-CG2 3.84Å; I819-T840 CarbonylContact O-C 3.44Å; I819-T840 WeakPolarHBondContact O-CA 3.29Å; I819-V841 HydrophobicContact CB-CB 4.27Å; I819-V841 PolarHBondContact N-O 3.22Å; I819-V841 PolarHBondContact O-N 3.43Å
820	R	97.5	Very high	95.8	Very high	84 Å²	84	27 Å²	27	32%	0.317	13%	0.133	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	122.3	178	-53.8	-179.6	-178.6	91.1	9.7	108.8	I709 E710 E712 T818 T840	I709-R820 WeakPolarHBondContact CA-O 3.23Å; E710-R820 HydrophobicContact CB-CB 4.29Å; E710-R820 PolarHBondContact N-O 2.92Å; E710-R820 PolarHBondContact O-N 2.75Å; E710-R820 WeakPolarHBondContact OE1-CD 3.48Å; E710-R820 IonicContact OE1-CZ 3.63Å; E710-R820 IonicContact OE1-NE 3.64Å; E710-R820 IonicContact OE1-NH1 2.7Å; E710-R820 PolarHBondContact OE1-NH1 3.49Å; E712-R820 IonicContact OE2-CZ 3.22Å; E712-R820 VanDerWaalsContact OE2-CZ 3.22Å; E712-R820 IonicContact OE2-NH1 2.76Å; E712-R820 PolarHBondContact OE2-NH1 2.92Å; E712-R820 IonicContact OE2-NH2 2.73Å; E712-R820 PolarHBondContact OE2-NH2 2.87Å; T818-R820 HydrophobicContact CG2-CG 4.33Å; R820-T840 HydrophobicContact CG-CG2 4.14Å
821	T	96.2	Very high	95.5	Very high	2 Å²	2	26 Å²	26	1%	0.012	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	120.6	-171.8	66.7	0	0	0	0	111.9	C708 I709 I819 L825 M827 P838 C839	C708-T821 WeakPolarHBondContact O-CA 3.48Å; I709-T821 HydrophobicContact CD1-CG2 4.25Å; I709-T821 HydrophobicContact CG1-CG2 4.15Å; I819-T821 HydrophobicContact CG2-CG2 3.84Å; T821-L825 HydrophobicContact CG2-CD1 3.99Å; T821-M827 HydrophobicContact CG2-CE 3.84Å; T821-P838 VanDerWaalsContact O-CA 3.24Å; T821-P838 WeakPolarHBondContact O-CA 3.3Å; T821-P838 WeakPolarHBondContact O-CB 3.26Å; T821-C839 PolarHBondContact N-O 3.48Å; T821-C839 PolarHBondContact O-N 2.83Å; T821-C839 PolarHBondContact OG1-N 2.88Å; T821-C839 PolarHBondContact OG1-O 3.19Å; T821-C839 PolarHBondContact OG1-SG 3.11Å
822	S	94.1	Very high	95.3	Very high	87 Å²	87	27.4 Å²	27.4	61%	0.608	14%	0.14	S	C	*	.	S	Bend	trans	-90.3	3.3	-177.5	64.1	0	0	0	0	115.2	C708	C708-S822 WeakPolarHBondContact CA-OG 3.37Å; C708-S822 PolarHBondContact O-N 3.25Å; C708-S822 PolarHBondContact O-OG 3.37Å
823	R	92.2	Very high	95.1	Very high	83 Å²	83	28.1 Å²	28.1	31%	0.313	15%	0.145	S	C	.	.	S	Bend	trans	-143.1	160	173.4	71.9	177.1	170.8	173.6	-9.7	110.8	K703 C708 L825	K703-R823 PolarHBondContact O-NH1 3.04Å; K703-R823 PolarHBondContact O-NH2 3.07Å; C708-R823 HydrophobicContact CB-CG 3.9Å; C708-R823 VanDerWaalsContact SG-CZ 3.59Å; C708-R823 PolarHBondContact SG-NE 2.98Å; C708-R823 PolarHBondContact SG-NH2 3.05Å; C708-R823 VanDerWaalsContact SG-NH2 3.39Å; R823-L825 HydrophobicContact CG-CD2 4.19Å; R823-L825 HydrophobicContact CG-CG 4.02Å; R823-L825 PolarHBondContact O-N 3.25Å
824	R	93.3	Very high	95	Very high	97 Å²	97	27.6 Å²	27.6	37%	0.366	14%	0.143	S	C	.	.			trans	-60.4	129.9	169.3	-175.1	178.3	-74	-120.7	10.1	110.8	E642 K643 M835 Q836	E642-R824 IonicContact OE1-CZ 2.88Å; E642-R824 VanDerWaalsContact OE1-CZ 3.24Å; E642-R824 IonicContact OE1-NE 3.23Å; E642-R824 PolarHBondContact OE1-NE 3.29Å; E642-R824 IonicContact OE1-NH2 3.79Å; E642-R824 PolarHBondContact OE1-NH2 3.34Å; K643-R824 PolarHBondContact O-NH1 3.12Å; K643-R824 PolarHBondContact O-NH2 3.35Å; R824-M835 HydrophobicContact CG-CE 4.29Å; R824-Q836 CarbonylContact C-O 3.55Å; R824-Q836 WeakPolarHBondContact CA-O 3.12Å; R824-Q836 WeakPolarHBondContact CG-O 3.43Å
825	L	94.6	Very high	94.9	Very high	3 Å²	3	29.9 Å²	29.9	2%	0.016	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	150.6	-173.7	-76.7	169.6	0	0	0	112	V658 L705 I709 T821 R823 Q836	V658-L825 HydrophobicContact CG1-CB 4.09Å; V658-L825 HydrophobicContact CG1-CD1 3.86Å; L705-L825 HydrophobicContact CD1-CD1 3.88Å; L705-L825 HydrophobicContact CD1-CD2 3.67Å; L705-L825 HydrophobicContact CD1-CG 4.46Å; I709-L825 HydrophobicContact CD1-CD1 3.85Å; I709-L825 HydrophobicContact CG1-CD1 3.98Å; T821-L825 HydrophobicContact CG2-CD1 3.99Å; R823-L825 HydrophobicContact CG-CD2 4.19Å; R823-L825 HydrophobicContact CG-CG 4.02Å; R823-L825 PolarHBondContact O-N 3.25Å; L825-Q836 PolarHBondContact N-O 2.77Å; L825-Q836 PolarHBondContact O-N 3.36Å
826	P	95.4	Very high	94.8	Very high	10 Å²	10	29 Å²	29	7%	0.065	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	136.8	166.6	30.3	-32.3	0	0	0	110.3	G659 A662 M835	G659-P826 PolarHBondContact N-O 2.95Å; G659-P826 WeakPolarHBondContact O-CG 3.45Å; A662-P826 HydrophobicContact CB-CB 3.97Å; A662-P826 WeakPolarHBondContact CB-O 3.49Å; P826-M835 HydrophobicContact CB-CE 4.41Å; P826-M835 HydrophobicContact CB-SD 3.74Å
827	M	96.8	Very high	94.7	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	158.3	175.2	-61.6	-164.7	-178	0	0	110.7	F656 S657 V658 A662 T821 P833 W834 Q836 V841	F656-M827 HydrophobicContact CE2-CB 4.1Å; F656-M827 HydrophobicContact CE2-CG 4.48Å; F656-M827 HydrophobicContact CE2-SD 4.07Å; F656-M827 HydrophobicContact CZ-CB 4.49Å; F656-M827 HydrophobicContact CZ-CG 4.39Å; F656-M827 HydrophobicContact CZ-SD 3.74Å; S657-M827 WeakPolarHBondContact O-CA 3.3Å; V658-M827 HydrophobicContact CG1-CE 4.14Å; V658-M827 HydrophobicContact CG1-CG 4.15Å; V658-M827 HydrophobicContact CG2-CE 4.21Å; V658-M827 HydrophobicContact CG2-CG 4.05Å; V658-M827 HydrophobicContact CG2-SD 4.21Å; A662-M827 VanDerWaalsContact CB-C 3.45Å; T821-M827 HydrophobicContact CG2-CE 3.84Å; M827-P833 CarbonylContact O-C 3.58Å; M827-P833 VanDerWaalsContact O-CA 3.29Å; M827-P833 WeakPolarHBondContact O-CA 3.27Å; M827-W834 HydrophobicContact CB-CD2 4.15Å; M827-W834 HydrophobicContact CB-CE3 4.31Å; M827-W834 HydrophobicContact CB-CH2 3.78Å; M827-W834 HydrophobicContact CB-CZ2 3.55Å; M827-W834 HydrophobicContact CB-CZ3 4.17Å; M827-W834 HydrophobicContact CG-CZ2 4.37Å; M827-W834 PolarHBondContact N-O 2.67Å; M827-W834 PolarHBondContact O-N 3.17Å; M827-W834 HydrophobicContact SD-CZ2 4.07Å; M827-Q836 HydrophobicContact CB-CB 4.48Å; M827-Q836 HydrophobicContact CE-CB 3.87Å; M827-Q836 HydrophobicContact CE-CG 3.62Å; M827-Q836 HydrophobicContact CG-CB 3.85Å; M827-Q836 HydrophobicContact CG-CG 4.45Å; M827-Q836 HydrophobicContact SD-CB 3.69Å; M827-Q836 HydrophobicContact SD-CG 3.63Å; M827-V841 HydrophobicContact CE-CG2 4.02Å; M827-V841 HydrophobicContact SD-CG2 4.1Å
828	Q	94.9	Very high	94.6	Very high	1 Å²	1	27 Å²	27	1%	0.005	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	155.6	172.1	70.4	76.4	48	0	0	112.2	F656 S657 A662 A665 E832 P833	F656-Q828 WeakPolarHBondContact CA-O 3.27Å; F656-Q828 WeakPolarHBondContact CD2-O 3.39Å; S657-Q828 VanDerWaalsContact N-NE2 3.19Å; S657-Q828 PolarHBondContact N-O 2.69Å; S657-Q828 VanDerWaalsContact N-O 3.1Å; S657-Q828 PolarHBondContact O-N 2.86Å; S657-Q828 VanDerWaalsContact OG-CG 3.28Å; S657-Q828 WeakPolarHBondContact OG-CG 3.43Å; S657-Q828 PolarHBondContact OG-NE2 2.58Å; A662-Q828 HydrophobicContact CB-CB 4.18Å; A662-Q828 HydrophobicContact CB-CG 3.97Å; A665-Q828 HydrophobicContact CB-CG 4.41Å; Q828-E832 WeakPolarHBondContact CA-O 3.22Å; Q828-P833 HydrophobicContact CB-CB 3.82Å
829	I	94.3	Very high	94.5	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	131.4	170.6	-58.3	155.1	0	0	0	108.2	I633 Y649 I652 F656 G831 E832 W834	I633-I829 HydrophobicContact CD1-CD1 4.34Å; I633-I829 HydrophobicContact CG2-CD1 3.73Å; Y649-I829 HydrophobicContact CD2-CG2 4.22Å; Y649-I829 HydrophobicContact CE2-CB 4.1Å; Y649-I829 HydrophobicContact CE2-CG2 3.68Å; Y649-I829 WeakPolarHBondContact O-CD1 3.02Å; Y649-I829 PolarHBondContact OH-O 3.36Å; I652-I829 HydrophobicContact CB-CG2 4.17Å; I652-I829 HydrophobicContact CG1-CG1 4.46Å; I652-I829 HydrophobicContact CG1-CG2 3.83Å; I652-I829 HydrophobicContact CG2-CG2 4.31Å; F656-I829 HydrophobicContact CD2-CG1 3.77Å; I829-G831 PolarHBondContact O-N 2.76Å; I829-E832 PolarHBondContact N-O 3.48Å; I829-E832 VanDerWaalsContact N-O 3.11Å; I829-E832 PolarHBondContact O-N 2.99Å; I829-W834 HydrophobicContact CD1-CH2 3.69Å; I829-W834 HydrophobicContact CD1-CZ3 3.82Å; I829-W834 HydrophobicContact CG1-CH2 3.81Å; I829-W834 HydrophobicContact CG1-CZ3 3.79Å
830	D	92.9	Very high	94.5	Very high	14 Å²	14	27.5 Å²	27.5	8%	0.075	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.2	20.6	173.6	-63.3	-12.3	0	0	0	115.9	Y649 N653 N654 Y655	Y649-D830 HydrophobicContact CE2-CB 4.5Å; N653-D830 WeakPolarHBondContact CA-OD2 3.46Å; N653-D830 VanDerWaalsContact CB-OD2 3.31Å; N653-D830 WeakPolarHBondContact CB-OD2 3.4Å; N653-D830 PolarHBondContact N-OD1 3.42Å; N653-D830 PolarHBondContact N-OD2 3.44Å; N653-D830 PolarHBondContact ND2-OD2 3.25Å; N654-D830 WeakPolarHBondContact CA-OD1 3.25Å; N654-D830 VanDerWaalsContact CB-OD1 3.29Å; N654-D830 WeakPolarHBondContact CB-OD1 3.46Å; N654-D830 PolarHBondContact N-OD1 3.25Å; N654-D830 PolarHBondContact N-OD2 2.72Å; Y655-D830 PolarHBondContact N-OD1 2.83Å; Y655-D830 PolarHBondContact O-N 2.95Å
831	G	88.5	Confident	94.5	Very high	15 Å²	15	23.5 Å²	23.5	16%	0.155	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	104.7	-1.4	-179.4	0	0	0	0	0	116.3	I829	I829-G831 PolarHBondContact O-N 2.76Å
832	E	91.2	Very high	94.6	Very high	46 Å²	46	26.1 Å²	26.1	22%	0.215	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	119.1	178.6	-59.2	-62.9	147.9	0	0	110.5	Y649 H669 R672 Q828 I829	Y649-E832 HydrophobicContact CE1-CB 4.27Å; Y649-E832 HydrophobicContact CE1-CG 4.37Å; H669-E832 IonicContact CE1-OE2 3.23Å; H669-E832 PolarHBondContact CE1-OE2 2.87Å; H669-E832 IonicContact ND1-OE2 3.74Å; H669-E832 PolarHBondContact ND1-OE2 3.18Å; R672-E832 IonicContact CZ-OE1 3.41Å; R672-E832 IonicContact CZ-OE2 2.74Å; R672-E832 IonicContact NH1-OE1 3.67Å; R672-E832 PolarHBondContact NH1-OE1 3.29Å; R672-E832 IonicContact NH2-OE1 2.79Å; R672-E832 PolarHBondContact NH2-OE1 3.19Å; R672-E832 VanDerWaalsContact NH2-OE1 3.15Å; R672-E832 IonicContact NH2-OE2 2.71Å; R672-E832 PolarHBondContact NH2-OE2 3.19Å; Q828-E832 WeakPolarHBondContact CA-O 3.22Å; I829-E832 PolarHBondContact N-O 3.48Å; I829-E832 VanDerWaalsContact N-O 3.11Å; I829-E832 PolarHBondContact O-N 2.99Å
833	P	94.3	Very high	94.8	Very high	16 Å²	16	22 Å²	22	10%	0.104	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	161.4	-165.2	40.8	-36.3	0	0	0	115.6	A665 H666 H669 M827 Q828	A665-P833 HydrophobicContact CB-CB 4.03Å; A665-P833 HydrophobicContact CB-CG 4.29Å; H666-P833 VanDerWaalsContact CA-CG 3.49Å; H666-P833 HydrophobicContact CB-CB 4.03Å; H666-P833 HydrophobicContact CB-CG 4.16Å; H669-P833 HydrophobicContact CB-CG 3.62Å; M827-P833 CarbonylContact O-C 3.58Å; M827-P833 VanDerWaalsContact O-CA 3.29Å; M827-P833 WeakPolarHBondContact O-CA 3.27Å; Q828-P833 HydrophobicContact CB-CB 3.82Å
834	W	94.5	Very high	95	Very high	3 Å²	3	20.4 Å²	20.4	1%	0.011	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	163.3	173.9	76.9	103.3	0	0	0	112.7	I635 D645 V647 P648 F656 M827 I829	I635-W834 HydrophobicContact CD1-CH2 4.29Å; I635-W834 HydrophobicContact CD1-CZ2 3.53Å; D645-W834 HydrophobicContact CB-CB 3.81Å; V647-W834 HydrophobicContact CG1-CH2 4.37Å; V647-W834 HydrophobicContact CG1-CZ2 4.16Å; V647-W834 HydrophobicContact CG2-CZ2 4.47Å; P648-W834 HydrophobicContact CG-CE3 3.87Å; P648-W834 HydrophobicContact CG-CZ3 4.03Å; F656-W834 HydrophobicContact CD2-CH2 4.35Å; F656-W834 AromaticContact CE2-CH2 3.87Å; F656-W834 HydrophobicContact CE2-CH2 3.87Å; F656-W834 HydrophobicContact CE2-CZ2 4.41Å; M827-W834 HydrophobicContact CB-CD2 4.15Å; M827-W834 HydrophobicContact CB-CE3 4.31Å; M827-W834 HydrophobicContact CB-CH2 3.78Å; M827-W834 HydrophobicContact CB-CZ2 3.55Å; M827-W834 HydrophobicContact CB-CZ3 4.17Å; M827-W834 HydrophobicContact CG-CZ2 4.37Å; M827-W834 PolarHBondContact N-O 2.67Å; M827-W834 PolarHBondContact O-N 3.17Å; M827-W834 HydrophobicContact SD-CZ2 4.07Å; I829-W834 HydrophobicContact CD1-CH2 3.69Å; I829-W834 HydrophobicContact CD1-CZ3 3.82Å; I829-W834 HydrophobicContact CG1-CH2 3.81Å; I829-W834 HydrophobicContact CG1-CZ3 3.79Å
835	M	94.2	Very high	95.3	Very high	48 Å²	48	18.9 Å²	18.9	24%	0.236	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	115.3	170.9	-63.1	-63.8	-52.6	0	0	112.2	D645 R824 P826	D645-M835 PolarHBondContact N-O 2.88Å; D645-M835 VanDerWaalsContact N-O 3.11Å; D645-M835 WeakPolarHBondContact OD2-CB 3.41Å; D645-M835 WeakPolarHBondContact OD2-CG 3.28Å; D645-M835 PolarHBondContact OD2-N 3.07Å; R824-M835 HydrophobicContact CG-CE 4.29Å; P826-M835 HydrophobicContact CB-CE 4.41Å; P826-M835 HydrophobicContact CB-SD 3.74Å
836	Q	94.8	Very high	95.3	Very high	8 Å²	8	22.4 Å²	22.4	4%	0.037	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	122.4	-174.4	-177	51.3	52.6	0	0	112	R824 L825 M827 C839	R824-Q836 CarbonylContact C-O 3.55Å; R824-Q836 WeakPolarHBondContact CA-O 3.12Å; R824-Q836 WeakPolarHBondContact CG-O 3.43Å; L825-Q836 PolarHBondContact N-O 2.77Å; L825-Q836 PolarHBondContact O-N 3.36Å; M827-Q836 HydrophobicContact CB-CB 4.48Å; M827-Q836 HydrophobicContact CE-CB 3.87Å; M827-Q836 HydrophobicContact CE-CG 3.62Å; M827-Q836 HydrophobicContact CG-CB 3.85Å; M827-Q836 HydrophobicContact CG-CG 4.45Å; M827-Q836 HydrophobicContact SD-CB 3.69Å; M827-Q836 HydrophobicContact SD-CG 3.63Å; Q836-C839 VanDerWaalsContact CG-SG 3.52Å
837	P	94.8	Very high	95.3	Very high	4 Å²	4	23.4 Å²	23.4	3%	0.026	13%	0.125	C	C	.	.	P	Polyproline II helix	trans	-58	169.6	166.5	-25.5	33.8	0	0	0	114	E642 G644 C839	E642-P837 HydrophobicContact CB-CB 4.49Å; E642-P837 HydrophobicContact CG-CB 4.35Å; E642-P837 HydrophobicContact CG-CG 4.49Å; E642-P837 WeakPolarHBondContact O-CG 3.44Å; G644-P837 VanDerWaalsContact CA-CD 3.42Å; G644-P837 VanDerWaalsContact CA-CG 3.45Å; P837-C839 PolarHBondContact O-N 2.82Å; P837-C839 PolarHBondContact O-SG 3.4Å
838	P	95.7	Very high	95.3	Very high	26 Å²	26	26.5 Å²	26.5	17%	0.169	14%	0.139	C	C	.	.	S	Bend	trans	-47.6	131.2	170.7	-26.3	35.9	0	0	0	112.6	D638 E642 T821	D638-P838 HydrophobicContact CB-CB 4.28Å; D638-P838 PolarHBondContact N-O 2.82Å; E642-P838 WeakPolarHBondContact OE2-CD 3.29Å; T821-P838 VanDerWaalsContact O-CA 3.24Å; T821-P838 WeakPolarHBondContact O-CA 3.3Å; T821-P838 WeakPolarHBondContact O-CB 3.26Å
839	C	96	Very high	95.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.9	163.7	-169.4	68.1	0	0	0	0	112.7	I635 V636 D638 T821 Q836 P837	I635-C839 HydrophobicContact CG2-CB 4.07Å; V636-C839 CarbonylContact O-C 3.52Å; V636-C839 VanDerWaalsContact O-CA 3.26Å; V636-C839 WeakPolarHBondContact O-CA 3.36Å; V636-C839 VanDerWaalsContact O-CB 3.3Å; V636-C839 WeakPolarHBondContact O-CB 3.48Å; D638-C839 VanDerWaalsContact OD1-CA 3.26Å; D638-C839 WeakPolarHBondContact OD1-CA 3.43Å; D638-C839 PolarHBondContact OD2-N 2.89Å; T821-C839 PolarHBondContact N-O 3.48Å; T821-C839 PolarHBondContact O-N 2.83Å; T821-C839 PolarHBondContact OG1-N 2.88Å; T821-C839 PolarHBondContact OG1-O 3.19Å; T821-C839 PolarHBondContact OG1-SG 3.11Å; Q836-C839 VanDerWaalsContact CG-SG 3.52Å; P837-C839 PolarHBondContact O-N 2.82Å; P837-C839 PolarHBondContact O-SG 3.4Å
840	T	97.5	Very high	95.5	Very high	31 Å²	31	27.1 Å²	27.1	19%	0.19	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	115.9	160.2	-60.9	0	0	0	0	110	V636 T818 I819 R820 I842	V636-T840 PolarHBondContact N-O 2.92Å; V636-T840 PolarHBondContact O-N 2.99Å; T818-T840 HydrophobicContact CG2-CG2 3.69Å; I819-T840 CarbonylContact O-C 3.44Å; I819-T840 WeakPolarHBondContact O-CA 3.29Å; R820-T840 HydrophobicContact CG-CG2 4.14Å; T840-I842 HydrophobicContact CG2-CD1 4.35Å; T840-I842 HydrophobicContact CG2-CG1 3.95Å
841	V	98.1	Very high	95.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	131.8	170.8	-176.1	0	0	0	0	108.9	I633 N634 I635 F656 T818 I819 M827 I843	I633-V841 HydrophobicContact CD1-CG1 3.58Å; I633-V841 HydrophobicContact CG1-CG1 3.7Å; N634-V841 WeakPolarHBondContact O-CA 3.5Å; I635-V841 HydrophobicContact CG1-CG1 4.29Å; I635-V841 HydrophobicContact CG1-CG2 4.27Å; F656-V841 HydrophobicContact CE1-CG1 4.33Å; F656-V841 HydrophobicContact CZ-CG1 4.13Å; T818-V841 CarbonylContact C-O 3.58Å; T818-V841 WeakPolarHBondContact CA-O 3.12Å; I819-V841 HydrophobicContact CB-CB 4.27Å; I819-V841 PolarHBondContact N-O 3.22Å; I819-V841 PolarHBondContact O-N 3.43Å; M827-V841 HydrophobicContact CE-CG2 4.02Å; M827-V841 HydrophobicContact SD-CG2 4.1Å; V841-I843 HydrophobicContact CG1-CG1 4.23Å
842	I	98.2	Very high	96.3	Very high	56 Å²	56	26 Å²	26	29%	0.287	13%	0.134	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	123.3	180	-51.9	175.8	0	0	0	108.3	I633 N634 T818 T840 T844	I633-I842 WeakPolarHBondContact CA-O 3.41Å; N634-I842 HydrophobicContact CB-CB 4.48Å; N634-I842 PolarHBondContact N-O 3.04Å; N634-I842 PolarHBondContact O-N 3.05Å; T818-I842 HydrophobicContact CG2-CG1 4.37Å; T840-I842 HydrophobicContact CG2-CD1 4.35Å; T840-I842 HydrophobicContact CG2-CG1 3.95Å; I842-T844 HydrophobicContact CG2-CG2 4.18Å
843	I	98.4	Very high	96.5	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.005	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	123.6	-179.8	-54.9	172.2	0	0	0	109.1	W631 N632 I633 I652 F656 I730 L786 V817 V841	W631-I843 HydrophobicContact CB-CG2 3.96Å; W631-I843 HydrophobicContact CE3-CG2 4.43Å; N632-I843 WeakPolarHBondContact O-CA 3.46Å; I633-I843 HydrophobicContact CB-CG1 4.33Å; I633-I843 HydrophobicContact CD1-CD1 4.44Å; I633-I843 HydrophobicContact CD1-CG1 4.29Å; I633-I843 HydrophobicContact CG1-CG1 4.12Å; I652-I843 HydrophobicContact CD1-CD1 3.96Å; I652-I843 HydrophobicContact CD1-CG1 4.23Å; I652-I843 HydrophobicContact CD1-CG2 3.83Å; F656-I843 HydrophobicContact CB-CD1 4.44Å; F656-I843 HydrophobicContact CD1-CD1 3.67Å; F656-I843 HydrophobicContact CE1-CD1 4.18Å; F656-I843 HydrophobicContact CG-CD1 4.23Å; I730-I843 HydrophobicContact CB-CD1 4.37Å; I730-I843 HydrophobicContact CG1-CD1 4.19Å; I730-I843 HydrophobicContact CG2-CD1 4.13Å; L786-I843 HydrophobicContact CD1-CG2 3.74Å; V817-I843 HydrophobicContact CB-CB 4.32Å; V817-I843 PolarHBondContact N-O 3.22Å; V817-I843 VanDerWaalsContact N-O 3.08Å; V817-I843 PolarHBondContact O-N 3.37Å; V841-I843 HydrophobicContact CG1-CG1 4.23Å
844	T	97.8	Very high	96.6	Very high	50 Å²	50	24.9 Å²	24.9	31%	0.307	13%	0.128	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	156	-178.2	57.4	0	0	0	0	111.4	W631 N632 I842 K846	W631-T844 CarbonylContact C-O 3.53Å; W631-T844 WeakPolarHBondContact CA-O 3.43Å; W631-T844 VanDerWaalsContact CE3-C 3.43Å; N632-T844 PolarHBondContact N-O 2.77Å; N632-T844 PolarHBondContact O-N 3.25Å; N632-T844 VanDerWaalsContact O-N 3.07Å; I842-T844 HydrophobicContact CG2-CG2 4.18Å; T844-K846 PolarHBondContact O-N 3.48Å
845	H	97.7	Very high	96.4	Very high	65 Å²	65	26.3 Å²	26.3	30%	0.301	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	130.1	178.4	170.5	-88.5	0	0	0	111.2	D629 W631	D629-H845 IonicContact OD1-CD2 3.68Å; D629-H845 IonicContact OD1-NE2 3.88Å; W631-H845 VanDerWaalsContact CE3-CA 3.47Å; W631-H845 HydrophobicContact CE3-CB 4Å; W631-H845 VanDerWaalsContact CE3-N 3.31Å; W631-H845 HydrophobicContact CH2-CB 4.05Å; W631-H845 HydrophobicContact CZ3-CB 3.63Å
846	K	95.7	Very high	95.8	Very high	76 Å²	76	29.4 Å²	29.4	33%	0.33	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	-69	179.3	-174.3	-159.4	-179.5	79.9	0	111.2	R630 N632 I651 T844	R630-K846 WeakPolarHBondContact O-CA 3.4Å; R630-K846 VanDerWaalsContact O-CB 3.24Å; R630-K846 WeakPolarHBondContact O-CB 3.49Å; R630-K846 PolarHBondContact O-N 3.42Å; N632-K846 HydrophobicContact CB-CB 4.06Å; N632-K846 HydrophobicContact CB-CG 4.41Å; I651-K846 HydrophobicContact CD1-CD 4.08Å; I651-K846 HydrophobicContact CG1-CD 4.12Å; I651-K846 HydrophobicContact CG2-CD 4.12Å; T844-K846 PolarHBondContact O-N 3.48Å
847	N	95.4	Very high	94.4	Very high	31 Å²	31	35.2 Å²	35.2	17%	0.166	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	161.2	-179.4	64.9	-2.6	0	0	0	111	D577 R630	D577-N847 PolarHBondContact OD1-ND2 3.14Å; R630-N847 WeakPolarHBondContact CB-O 3.47Å; R630-N847 PolarHBondContact N-O 2.77Å; R630-N847 PolarHBondContact NH1-OD1 2.72Å; R630-N847 PolarHBondContact O-N 3.32Å
848	Q	96.2	Very high	92.3	Very high	66 Å²	66	44.8 Å²	44.8	31%	0.308	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	133.1	165.7	-78.4	-176.9	-7.2	0	0	110.2	V627 L628 D629 S782	V627-Q848 HydrophobicContact CB-CB 4.32Å; V627-Q848 HydrophobicContact CG1-CB 4.27Å; L628-Q848 WeakPolarHBondContact O-CA 3.4Å; D629-Q848 WeakPolarHBondContact OD1-CG 3.27Å; D629-Q848 PolarHBondContact OD1-NE2 3.26Å; S782-Q848 PolarHBondContact O-NE2 3.28Å
849	V	96.8	Very high	89.6	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.006	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	143.6	172.2	-63.2	0	0	0	0	111	L573 Y584 V627 L628 R630 M851	L573-V849 HydrophobicContact CD1-CG2 4.23Å; L573-V849 HydrophobicContact CD2-CB 4.19Å; L573-V849 HydrophobicContact CD2-CG1 4.41Å; L573-V849 HydrophobicContact CD2-CG2 3.93Å; Y584-V849 HydrophobicContact CD2-CG1 4.09Å; Y584-V849 HydrophobicContact CE2-CG1 4.22Å; V627-V849 CarbonylContact C-O 3.46Å; V627-V849 WeakPolarHBondContact CA-O 3.49Å; L628-V849 HydrophobicContact CB-CG2 3.95Å; L628-V849 HydrophobicContact CD2-CG2 4.07Å; L628-V849 HydrophobicContact CG-CG2 4.29Å; L628-V849 PolarHBondContact N-O 2.88Å; L628-V849 PolarHBondContact O-N 3.04Å; R630-V849 HydrophobicContact CG-CG2 4.29Å; V849-M851 HydrophobicContact CG2-CG 4.38Å; V849-M851 HydrophobicContact CG2-SD 4.03Å
850	P	97.8	Very high	86.6	Confident	13 Å²	13	52.7 Å²	52.7	8%	0.084	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	128	176.6	29.4	-30.8	0	0	0	111.3	Y584 P586 V587 K625 V626	Y584-P850 VanDerWaalsContact O-CG 3.28Å; Y584-P850 WeakPolarHBondContact O-CG 3.17Å; P586-P850 VanDerWaalsContact CA-O 3.31Å; P586-P850 WeakPolarHBondContact CA-O 3.22Å; P586-P850 HydrophobicContact CB-CB 4.08Å; V587-P850 PolarHBondContact N-O 2.91Å; V587-P850 VanDerWaalsContact N-O 3.09Å; K625-P850 HydrophobicContact CG-CB 4.48Å; V626-P850 WeakPolarHBondContact O-CA 3.34Å
851	M	98.3	Very high	83.5	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	158.2	176	-57.8	-58.8	-70.9	0	0	110.6	V569 L573 V587 I589 L598 L602 K625 V626 L628 V849	V569-M851 HydrophobicContact CG1-CE 4.27Å; L573-M851 HydrophobicContact CD2-SD 4.14Å; V587-M851 HydrophobicContact CB-CE 3.97Å; V587-M851 HydrophobicContact CB-SD 3.9Å; V587-M851 HydrophobicContact CG1-CE 4.32Å; V587-M851 HydrophobicContact CG2-SD 4.4Å; I589-M851 HydrophobicContact CD1-CE 4.11Å; I589-M851 HydrophobicContact CG1-CE 4.36Å; L598-M851 HydrophobicContact CD2-CE 4.18Å; L602-M851 HydrophobicContact CD1-CB 3.77Å; L602-M851 HydrophobicContact CD1-CE 3.55Å; L602-M851 HydrophobicContact CD1-CG 4.11Å; L602-M851 HydrophobicContact CD2-CB 3.93Å; K625-M851 WeakPolarHBondContact CA-O 3.37Å; V626-M851 HydrophobicContact CG2-CB 4.01Å; V626-M851 PolarHBondContact N-O 3.33Å; V626-M851 PolarHBondContact O-N 2.79Å; V626-M851 VanDerWaalsContact O-O 3.13Å; L628-M851 HydrophobicContact CB-CG 3.55Å; L628-M851 HydrophobicContact CD2-CG 3.91Å; L628-M851 HydrophobicContact CD2-SD 4.16Å; L628-M851 HydrophobicContact CG-CG 4.38Å; V849-M851 HydrophobicContact CG2-CG 4.38Å; V849-M851 HydrophobicContact CG2-SD 4.03Å
852	L	98.3	Very high	80.5	Confident	6 Å²	6	69.3 Å²	69.3	3%	0.031	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	117.7	171.2	-63.8	179.6	0	0	0	108.9	R559 P586 V587 A588 W604 I620 K625	R559-L852 HydrophobicContact CB-CD1 4.34Å; R559-L852 HydrophobicContact CG-CD1 4.3Å; P586-L852 HydrophobicContact CB-CD1 4.47Å; P586-L852 HydrophobicContact CB-CD2 3.66Å; P586-L852 HydrophobicContact CB-CG 3.86Å; P586-L852 HydrophobicContact CG-CD1 4.47Å; P586-L852 HydrophobicContact CG-CD2 3.99Å; P586-L852 HydrophobicContact CG-CG 4.33Å; V587-L852 PolarHBondContact O-N 2.83Å; A588-L852 HydrophobicContact CB-CB 4.02Å; A588-L852 HydrophobicContact CB-CD1 4Å; W604-L852 HydrophobicContact CZ2-CB 4.25Å; W604-L852 PolarHBondContact NE1-O 3.03Å; I620-L852 HydrophobicContact CG2-CD1 4.02Å; K625-L852 HydrophobicContact CB-CD2 4.39Å
853	M	96.8	Very high	77.5	Confident	35 Å²	35	72.1 Å²	72.1	17%	0.172	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	124.8	171	179.2	-178.6	-73.4	0	0	109.4	L602 H603 S623 T624 V626 F781	L602-M853 HydrophobicContact CD2-CB 4.26Å; H603-M853 HydrophobicContact CB-CG 4.39Å; H603-M853 VanDerWaalsContact CE1-SD 3.56Å; H603-M853 WeakPolarHBondContact ND1-CG 3.45Å; H603-M853 PolarHBondContact ND1-SD 2.79Å; H603-M853 VanDerWaalsContact ND1-SD 3.38Å; S623-M853 WeakPolarHBondContact CA-O 3.48Å; S623-M853 VanDerWaalsContact CB-O 3.23Å; S623-M853 WeakPolarHBondContact CB-O 3.49Å; T624-M853 PolarHBondContact N-O 2.81Å; T624-M853 PolarHBondContact O-N 2.9Å; V626-M853 HydrophobicContact CG1-CB 4.06Å; V626-M853 HydrophobicContact CG1-CE 4.23Å; V626-M853 HydrophobicContact CG2-CB 4.24Å; F781-M853 HydrophobicContact CE1-CE 4.45Å; F781-M853 HydrophobicContact CZ-CE 3.76Å
854	G	94.9	Very high	74.2	Confident	2 Å²	2	80.8 Å²	80.8	2%	0.021	41%	0.41	C	S	.	.	P	Polyproline II helix	trans	-62.3	152.1	178.2	0	0	0	0	0	112.7	L602 H603	L602-G854 PolarHBondContact O-N 3.34Å; H603-G854 WeakPolarHBondContact CB-O 3.31Å
855	P	91.8	Very high	70.9	Confident	34 Å²	34	88.2 Å²	88.2	22%	0.221	44%	0.438	C	S	.	.	P	Polyproline II helix	trans	-61.2	147.7	-178.2	24.8	-34.7	0	0	0	111.6	N619 Q857	N619-P855 HydrophobicContact CB-CG 3.93Å; N619-P855 WeakPolarHBondContact O-CD 3.49Å; P855-Q857 PolarHBondContact O-N 2.87Å; P855-Q857 VanDerWaalsContact O-N 3.15Å
856	P	80.9	Confident	67.8	Low	113 Å²	113	93.9 Å²	93.9	73%	0.734	46%	0.461	S	S	*	.	P	Polyproline II helix	trans	-51.6	121.1	-175.5	-29.3	35.3	0	0	0	112.9	K858	P856-K858 PolarHBondContact O-N 3.16Å; P856-K858 VanDerWaalsContact O-N 3.12Å
857	Q	65.3	Low	64.7	Low	129 Å²	129	100.1 Å²	100.1	60%	0.603	48%	0.483	S	S	*	.	P	Polyproline II helix	trans	-65.2	116.2	-179.2	-62.4	-165.6	10.2	0	0	109.8	H603 P855 T859	H603-Q857 PolarHBondContact O-NE2 2.97Å; P855-Q857 PolarHBondContact O-N 2.87Å; P855-Q857 VanDerWaalsContact O-N 3.15Å; Q857-T859 PolarHBondContact O-N 3.4Å
858	K	51	Low	61.5	Low	205 Å²	205	105.6 Å²	105.6	89%	0.891	51%	0.512	S	S	*	.			trans	-60.4	114.2	174.2	-68.2	-173.7	178.5	-175.7	0	108.7	P856 S860	P856-K858 PolarHBondContact O-N 3.16Å; P856-K858 VanDerWaalsContact O-N 3.12Å; K858-S860 PolarHBondContact O-N 2.98Å
859	T	39.2	Very low	58.3	Low	109 Å²	109	109.9 Å²	109.9	67%	0.669	53%	0.53	S	S	*	.			trans	-56.5	120.9	179.3	40.8	0	0	0	0	110	Q857 F861	Q857-T859 PolarHBondContact O-N 3.4Å; T859-F861 WeakPolarHBondContact O-CD2 3.38Å; T859-F861 PolarHBondContact O-N 2.87Å
860	S	31.8	Very low	55.2	Low	84 Å²	84	115 Å²	115	59%	0.587	57%	0.566	S	S	*	*			trans	-65.5	121.8	172.2	-175.8	0	0	0	0	108.5	K858 F862	K858-S860 PolarHBondContact O-N 2.98Å; S860-F862 PolarHBondContact O-N 2.98Å
861	F	33.7	Very low	52.2	Low	190 Å²	190	125.1 Å²	125.1	83%	0.833	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.4	11.7	-175.2	-81.4	-94.1	0	0	0	114.5	T859	T859-F861 WeakPolarHBondContact O-CD2 3.38Å; T859-F861 PolarHBondContact O-N 2.87Å
862	F	34.2	Very low	48.8	Very low	189 Å²	189	137.7 Å²	137.7	83%	0.829	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.4	24.4	-171	-76.6	-77.3	0	0	0	115.3	S860	S860-F862 PolarHBondContact O-N 2.98Å
863	T	35.1	Very low	46.4	Very low	115 Å²	115	144.3 Å²	144.3	71%	0.706	69%	0.693	S	S	*	*			trans	-139.6	29.8	176.9	-10.5	0	0	0	0	116.9
864	F	30.1	Very low	43.7	Very low	183 Å²	183	150.1 Å²	150.1	80%	0.803	72%	0.721	S	S	*	*			trans	-124	89.3	170.7	-88.9	-82.1	0	0	0	114.5
865	K	28.4	Very low	40.9	Very low	206 Å²	206	158.3 Å²	158.3	90%	0.896	76%	0.759	S	S	*	*			trans	-129.6	58.5	147.8	-89.5	-171.1	174.3	177.2	0	110.3	R867	K865-R867 VanDerWaalsContact C-N 3.33Å; K865-R867 PolarHBondContact O-N 3.34Å
866	K	32.3	Very low	37.9	Very low	184 Å²	184	165.6 Å²	165.6	80%	0.8	79%	0.791	S	S	*	*			trans	-62.6	101.8	154.8	-90.1	-167.2	173.9	-175.4	0	106.5	N868	K866-N868 PolarHBondContact O-N 3.22Å
867	R	29.7	Very low	35.2	Very low	207 Å²	207	168.9 Å²	168.9	78%	0.781	80%	0.795	S	S	*	*			trans	-84.7	102.3	-176.1	-174.5	178.6	-173.9	172.2	1	108.1	K865 F869	K865-R867 VanDerWaalsContact C-N 3.33Å; K865-R867 PolarHBondContact O-N 3.34Å; R867-F869 HydrophobicContact CG-CD2 4.49Å; R867-F869 PolarHBondContact O-N 3.33Å
868	N	29.1	Very low	33.2	Very low	146 Å²	146	171.5 Å²	171.5	78%	0.781	81%	0.807	S	S	*	*			trans	-55.6	122.3	174.2	-73.9	-1.6	0	0	0	109.7	K866	K866-N868 PolarHBondContact O-N 3.22Å
869	F	29.6	Very low	31.9	Very low	156 Å²	156	169.1 Å²	169.1	68%	0.684	80%	0.802	S	S	*	*			trans	-121.6	69.9	163	-109.8	-72.2	0	0	0	107.8	R867 R871	R867-F869 HydrophobicContact CG-CD2 4.49Å; R867-F869 PolarHBondContact O-N 3.33Å; F869-R871 PolarHBondContact O-N 3.09Å
870	S	30.5	Very low	31.3	Very low	110 Å²	110	173.8 Å²	173.8	77%	0.769	81%	0.812	S	S	*	*			trans	-64.1	122.8	151.6	47.4	0	0	0	0	107.3
871	R	34.3	Very low	31.3	Very low	224 Å²	224	181.3 Å²	181.3	85%	0.845	83%	0.83	S	S	*	*			trans	-106.2	148.6	162.8	-113.2	-175.6	173	178.9	-4.5	108.8	F869	F869-R871 PolarHBondContact O-N 3.09Å
872	E	28.5	Very low	31.1	Very low	265 Å²	265	180.5 Å²	180.5	100%	1.238	83%	0.83	S	S	*	*			trans	-66	0	161.9	-61.3	158.8	131.2	0	0	110.2

Retrieved 872 of 872 residues in 773.7 ms (Link to these results)

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