A0A5K4FB75_SCHMA Loading...

beta-mannosidase

AlphaFold DB , UniProt , Accession A0A5K4FB75, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 965 aa.

						>A0A5K4FB75_SCHMA|A0A5K4FB75
MMFHSIPYYLFSIIYNLFYMTTILSIYNIKTTWIPLNGNWIISNQTFSRQIYSSYGLDSYSGQSIIGNNNNNPLIDDNDVKLRWIAYTNWTFIKFFTIEQSYLNHTIELYIDGIDTFCEIIINNHSLGVTENSFLSYTWKISHLLSLKQANKLEFKCTSTVLIAKKKAELMKVRKKLIPPPFCWPSRFHGECHINLIRTTQSIFGWDWGLTLPIQGLWTLPQLVISPLGFRFGEGFKFYAYSQQNQFKLWSAEIDVELVSNMLSYDRLSKACIYSYIEELNVFGRKCFGMENKVITMEVLRNQSKVKLWWPIGTETGPYLYTLVLYLTVGFNKLVDKKEYSIGFREVELIEDYVDSSQIGLGRTFYFKTNGLPIFIKGANWIPARYMPGRQYNLMHNVTNDRIWLEKRLLRSASLSGINLIRIWGGGRYEDDEFYKEADKLGLMIWHDMMFAVATYPDKERNDTVEEEIRRQISRLHYHPSIIVWSTDNEVKQAIANGWYSQPMDFTLLSIFKSRFVESIFNVINDEENGQSSARRWEVSKYKPRRCLISSPGNGYLTEKFRGLDPDPENPLYGDIHYYTYSGDLWSESNFVLGRFISEFGIQSIPSPLAWARSISNISNSKQWDVFGSLMDHRQHHQLGHQMLRLSLQYITKPADRQDPIRNYSRWAYISQLNQLMCLRTQINLYMRHKCRIRLSNSTVISTNKFITMGTIYWQFNDIWSAPSWSTIDSVGQWKLSHYSAIKEYYDLSKWGRIAIQINNNNNNNNNNNNGIIEADWIPNIQNNNTNFFPNEFQLICYTIWSFIPTNHKILKIPIPKFIQCPIRIFNKSLKDLNKLCHFNYKKDKPKEIKKWPKNSGKYLKIKSIKQLKSIKNNFFLKIQKMAPFLTNFIYELIIESKSPELFIHLNIDPRLNLEYWFSINGFHLMNKKEKRIYLYLSGNKTISIDLLKSYIWIESLATLNMKEL
					

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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	39.1	Very low	45.6	Very low	250 Å²	250	149.6 Å²	149.6	100%	1.232	71%	0.712	S	S	*	*				0	43.3	0	-104.2	179	164.1	0	0	112.3
2	M	39.3	Very low	46.2	Very low	171 Å²	171	142.2 Å²	142.2	84%	0.842	69%	0.688	S	S	*	*			trans	-106.3	14	-168.6	-116.3	-179.1	170.4	0	0	115.8
3	F	39	Very low	46.9	Very low	175 Å²	175	136.8 Å²	136.8	77%	0.768	66%	0.664	S	S	*	*	S	Bend	trans	-123.5	25.9	-171.3	-75	-73.3	0	0	0	116.3
4	H	44.9	Very low	47.7	Very low	184 Å²	184	133.6 Å²	133.6	85%	0.852	65%	0.65	S	S	*	*	S	Bend	trans	-112	3.2	177.5	-86.2	-27.8	0	0	0	117
5	S	44.9	Very low	48.3	Very low	70 Å²	70	133 Å²	133	49%	0.49	64%	0.639	S	S	.	*	S	Bend	trans	-98.3	-14.7	179.4	45.8	0	0	0	0	115.2	Y9	S5-Y9 VanDerWaalsContact O-CD2 3.31Å; S5-Y9 WeakPolarHBondContact O-CD2 3.26Å; S5-Y9 PolarHBondContact O-N 2.8Å
6	I	47.3	Very low	48.8	Very low	97 Å²	97	127.3 Å²	127.3	50%	0.497	61%	0.613	S	S	.	*	H	α-helix	trans	-67	-43.7	-174.9	-58.3	174.4	0	0	0	113.6	Y8 Y9 L10	I6-Y8 PolarHBondContact O-N 3.23Å; I6-Y9 PolarHBondContact O-N 3.17Å; I6-L10 HydrophobicContact CG2-CD1 3.85Å; I6-L10 PolarHBondContact O-N 3.07Å
7	P	48.8	Very low	49.2	Very low	84 Å²	84	125.9 Å²	125.9	55%	0.545	61%	0.609	S	S	.	*	H	α-helix	trans	-66.8	-40.9	-174.7	-19.1	31.2	0	0	0	112.9	L10 F11	P7-L10 PolarHBondContact O-N 3.41Å; P7-F11 WeakPolarHBondContact O-CB 3.45Å; P7-F11 PolarHBondContact O-N 2.91Å
8	Y	48.6	Very low	49.5	Very low	199 Å²	199	126.9 Å²	126.9	78%	0.78	61%	0.61	S	S	*	*	H	α-helix	trans	-67	-37.3	179.6	-108.2	-84.7	0	0	0	112.6	I6 S12	I6-Y8 PolarHBondContact O-N 3.23Å; Y8-S12 VanDerWaalsContact O-CB 3.3Å; Y8-S12 WeakPolarHBondContact O-CB 3.39Å; Y8-S12 PolarHBondContact O-N 3.33Å
9	Y	47.2	Very low	49.6	Very low	164 Å²	164	124.6 Å²	124.6	64%	0.643	60%	0.595	S	S	*	*	H	α-helix	trans	-68.1	-44.4	175.5	-92.2	-84.8	0	0	0	111.6	S5 I6 S12 I13	S5-Y9 VanDerWaalsContact O-CD2 3.31Å; S5-Y9 WeakPolarHBondContact O-CD2 3.26Å; S5-Y9 PolarHBondContact O-N 2.8Å; I6-Y9 PolarHBondContact O-N 3.17Å; Y9-S12 PolarHBondContact O-N 2.84Å; Y9-I13 WeakPolarHBondContact O-CB 3.4Å; Y9-I13 WeakPolarHBondContact O-CD1 3.36Å; Y9-I13 WeakPolarHBondContact O-CG1 3.4Å; Y9-I13 PolarHBondContact O-N 2.89Å
10	L	51.1	Low	49.8	Very low	95 Å²	95	120.6 Å²	120.6	50%	0.497	58%	0.576	S	S	.	*	H	α-helix	trans	-63.3	-43.2	175.5	-107.3	98.1	0	0	0	111.9	I6 P7 I13 I14	I6-L10 HydrophobicContact CG2-CD1 3.85Å; I6-L10 PolarHBondContact O-N 3.07Å; P7-L10 PolarHBondContact O-N 3.41Å; L10-I13 PolarHBondContact O-N 3.42Å; L10-I14 HydrophobicContact CD2-CD1 4.25Å; L10-I14 WeakPolarHBondContact O-CB 3.3Å; L10-I14 VanDerWaalsContact O-CG1 3.26Å; L10-I14 WeakPolarHBondContact O-CG1 3.39Å; L10-I14 PolarHBondContact O-N 3.47Å
11	F	51.2	Low	50	Low	157 Å²	157	118.5 Å²	118.5	69%	0.689	57%	0.571	S	S	*	*	H	α-helix	trans	-64.9	-41.7	-180	-138.8	-87.4	0	0	0	111.5	P7 Y15	P7-F11 WeakPolarHBondContact O-CB 3.45Å; P7-F11 PolarHBondContact O-N 2.91Å; F11-Y15 WeakPolarHBondContact O-CB 3.02Å; F11-Y15 PolarHBondContact O-N 2.98Å
12	S	52.6	Low	50.6	Low	60 Å²	60	109.7 Å²	109.7	42%	0.42	53%	0.532	S	S	.	.	H	α-helix	trans	-62.7	-44.7	173.4	-177.9	0	0	0	0	111.6	Y8 Y9 N16	Y8-S12 VanDerWaalsContact O-CB 3.3Å; Y8-S12 WeakPolarHBondContact O-CB 3.39Å; Y8-S12 PolarHBondContact O-N 3.33Å; Y9-S12 PolarHBondContact O-N 2.84Å; S12-N16 WeakPolarHBondContact O-CB 3.38Å; S12-N16 PolarHBondContact O-N 3.29Å; S12-N16 PolarHBondContact O-ND2 2.94Å; S12-N16 PolarHBondContact OG-ND2 2.81Å
13	I	56	Low	51.2	Low	73 Å²	73	101.9 Å²	101.9	37%	0.374	49%	0.493	S	S	.	.	H	α-helix	trans	-63.7	-47.3	178.7	-70.4	164.4	0	0	0	111.2	Y9 L10 N16 L17	Y9-I13 WeakPolarHBondContact O-CB 3.4Å; Y9-I13 WeakPolarHBondContact O-CD1 3.36Å; Y9-I13 WeakPolarHBondContact O-CG1 3.4Å; Y9-I13 PolarHBondContact O-N 2.89Å; L10-I13 PolarHBondContact O-N 3.42Å; I13-N16 PolarHBondContact O-N 2.85Å; I13-L17 HydrophobicContact CG2-CD1 3.68Å; I13-L17 VanDerWaalsContact O-CB 3.31Å; I13-L17 WeakPolarHBondContact O-CB 3.31Å; I13-L17 WeakPolarHBondContact O-CG 3.43Å; I13-L17 PolarHBondContact O-N 3.36Å
14	I	57.7	Low	51.7	Low	91 Å²	91	98.3 Å²	98.3	47%	0.467	48%	0.482	S	S	.	.	H	α-helix	trans	-66.9	-44.3	179.9	-67.5	167.7	0	0	0	110.7	L10 N16 L17 F18	L10-I14 HydrophobicContact CD2-CD1 4.25Å; L10-I14 WeakPolarHBondContact O-CB 3.3Å; L10-I14 VanDerWaalsContact O-CG1 3.26Å; L10-I14 WeakPolarHBondContact O-CG1 3.39Å; L10-I14 PolarHBondContact O-N 3.47Å; I14-N16 VanDerWaalsContact C-N 3.35Å; I14-N16 PolarHBondContact O-N 2.89Å; I14-L17 PolarHBondContact O-N 2.84Å; I14-F18 HydrophobicContact CG2-CD2 4.3Å; I14-F18 WeakPolarHBondContact O-CB 3.46Å; I14-F18 PolarHBondContact O-N 3.48Å
15	Y	56.7	Low	51.8	Low	125 Å²	125	94 Å²	94	49%	0.49	47%	0.472	S	S	.	.	H	α-helix	trans	-60.9	-43.4	176.6	-174.9	-93.2	0	0	0	111.3	F11 Y19	F11-Y15 WeakPolarHBondContact O-CB 3.02Å; F11-Y15 PolarHBondContact O-N 2.98Å; Y15-Y19 HydrophobicContact CD1-CD2 4.02Å; Y15-Y19 HydrophobicContact CD1-CE2 4.35Å; Y15-Y19 HydrophobicContact CD2-CE2 4.49Å; Y15-Y19 AromaticContact CE1-CD2 3.67Å; Y15-Y19 HydrophobicContact CE1-CD2 3.67Å; Y15-Y19 AromaticContact CE1-CE2 3.6Å; Y15-Y19 HydrophobicContact CE1-CE2 3.6Å; Y15-Y19 HydrophobicContact CE2-CD2 4.24Å; Y15-Y19 AromaticContact CE2-CE2 3.78Å; Y15-Y19 HydrophobicContact CE2-CE2 3.78Å; Y15-Y19 HydrophobicContact CG-CD2 4.44Å; Y15-Y19 AromaticContact CZ-CD2 3.8Å; Y15-Y19 AromaticContact CZ-CE2 3.27Å; Y15-Y19 WeakPolarHBondContact O-CB 3.19Å; Y15-Y19 WeakPolarHBondContact O-CD2 3.44Å; Y15-Y19 PolarHBondContact O-N 3.47Å; Y15-Y19 VanDerWaalsContact OH-CE2 3.25Å; Y15-Y19 WeakPolarHBondContact OH-CE2 3.39Å
16	N	56.9	Low	51.9	Low	41 Å²	41	94.5 Å²	94.5	22%	0.219	47%	0.469	C	S	.	.	H	α-helix	trans	-70.8	-36.8	177.5	-70.7	-41.1	0	0	0	112.8	S12 I13 I14 Y19 M20 F283	S12-N16 WeakPolarHBondContact O-CB 3.38Å; S12-N16 PolarHBondContact O-N 3.29Å; S12-N16 PolarHBondContact O-ND2 2.94Å; S12-N16 PolarHBondContact OG-ND2 2.81Å; I13-N16 PolarHBondContact O-N 2.85Å; I14-N16 VanDerWaalsContact C-N 3.35Å; I14-N16 PolarHBondContact O-N 2.89Å; N16-Y19 PolarHBondContact O-N 3.39Å; N16-M20 PolarHBondContact O-N 3.39Å; N16-F283 HydrophobicContact CB-CE2 4.38Å; N16-F283 HydrophobicContact CB-CZ 4.31Å
17	L	55.2	Low	52	Low	105 Å²	105	100.5 Å²	100.5	55%	0.55	49%	0.486	S	S	.	.	H	α-helix	trans	-63	-48.3	172.7	-87.8	158.5	0	0	0	111.3	I13 I14 Y19 M20 T21	I13-L17 HydrophobicContact CG2-CD1 3.68Å; I13-L17 VanDerWaalsContact O-CB 3.31Å; I13-L17 WeakPolarHBondContact O-CB 3.31Å; I13-L17 WeakPolarHBondContact O-CG 3.43Å; I13-L17 PolarHBondContact O-N 3.36Å; I14-L17 PolarHBondContact O-N 2.84Å; L17-Y19 VanDerWaalsContact C-N 3.29Å; L17-Y19 PolarHBondContact O-N 2.94Å; L17-M20 PolarHBondContact O-N 3.38Å; L17-T21 WeakPolarHBondContact O-CG2 3.36Å; L17-T21 PolarHBondContact O-N 2.97Å; L17-T21 PolarHBondContact O-OG1 3.41Å
18	F	53.9	Low	52.2	Low	144 Å²	144	101.4 Å²	101.4	63%	0.632	49%	0.487	S	S	*	.	H	α-helix	trans	-59.2	-41.2	175	-110.7	-86.6	0	0	0	111.3	I14 T21 T22	I14-F18 HydrophobicContact CG2-CD2 4.3Å; I14-F18 WeakPolarHBondContact O-CB 3.46Å; I14-F18 PolarHBondContact O-N 3.48Å; F18-T21 WeakPolarHBondContact CA-OG1 3.33Å; F18-T21 PolarHBondContact O-N 2.9Å; F18-T21 PolarHBondContact O-OG1 2.81Å; F18-T22 WeakPolarHBondContact O-CG2 3.44Å; F18-T22 PolarHBondContact O-N 3.43Å; F18-T22 PolarHBondContact O-OG1 2.98Å
19	Y	52.6	Low	53	Low	83 Å²	83	94.5 Å²	94.5	33%	0.325	46%	0.463	S	S	.	.	H	α-helix	trans	-65.8	-41.6	176.7	-103.4	-91.1	0	0	0	113.4	Y15 N16 L17 T22 I23	Y15-Y19 HydrophobicContact CD1-CD2 4.02Å; Y15-Y19 HydrophobicContact CD1-CE2 4.35Å; Y15-Y19 HydrophobicContact CD2-CE2 4.49Å; Y15-Y19 AromaticContact CE1-CD2 3.67Å; Y15-Y19 HydrophobicContact CE1-CD2 3.67Å; Y15-Y19 AromaticContact CE1-CE2 3.6Å; Y15-Y19 HydrophobicContact CE1-CE2 3.6Å; Y15-Y19 HydrophobicContact CE2-CD2 4.24Å; Y15-Y19 AromaticContact CE2-CE2 3.78Å; Y15-Y19 HydrophobicContact CE2-CE2 3.78Å; Y15-Y19 HydrophobicContact CG-CD2 4.44Å; Y15-Y19 AromaticContact CZ-CD2 3.8Å; Y15-Y19 AromaticContact CZ-CE2 3.27Å; Y15-Y19 WeakPolarHBondContact O-CB 3.19Å; Y15-Y19 WeakPolarHBondContact O-CD2 3.44Å; Y15-Y19 PolarHBondContact O-N 3.47Å; Y15-Y19 VanDerWaalsContact OH-CE2 3.25Å; Y15-Y19 WeakPolarHBondContact OH-CE2 3.39Å; N16-Y19 PolarHBondContact O-N 3.39Å; L17-Y19 VanDerWaalsContact C-N 3.29Å; L17-Y19 PolarHBondContact O-N 2.94Å; Y19-T22 WeakPolarHBondContact CA-OG1 3.24Å; Y19-T22 PolarHBondContact O-N 3.28Å; Y19-T22 PolarHBondContact O-OG1 3.02Å; Y19-I23 WeakPolarHBondContact O-CG1 3.25Å; Y19-I23 PolarHBondContact O-N 2.91Å
20	M	52.6	Low	54.5	Low	44 Å²	44	91 Å²	91	22%	0.217	45%	0.451	C	S	.	.	H	α-helix	trans	-65.8	-40.1	174.7	-84	-71.1	-90.8	0	0	111.8	N16 L17 T22 I23 L24 Y326	N16-M20 PolarHBondContact O-N 3.39Å; L17-M20 PolarHBondContact O-N 3.38Å; M20-T22 VanDerWaalsContact C-N 3.35Å; M20-T22 PolarHBondContact O-N 3.27Å; M20-I23 PolarHBondContact O-N 2.98Å; M20-L24 WeakPolarHBondContact O-CB 3.42Å; M20-L24 WeakPolarHBondContact O-CD1 2.81Å; M20-L24 VanDerWaalsContact O-CG 3.24Å; M20-L24 WeakPolarHBondContact O-CG 3.47Å; M20-L24 PolarHBondContact O-N 3.46Å; M20-Y326 HydrophobicContact CE-CE2 4.16Å; M20-Y326 HydrophobicContact SD-CE2 4.34Å
21	T	54.2	Low	56.3	Low	76 Å²	76	86.7 Å²	86.7	47%	0.466	43%	0.429	S	S	.	.	H	α-helix	trans	-64.9	-37.2	176.7	56.6	0	0	0	0	112.8	L17 F18 L24 S25	L17-T21 WeakPolarHBondContact O-CG2 3.36Å; L17-T21 PolarHBondContact O-N 2.97Å; L17-T21 PolarHBondContact O-OG1 3.41Å; F18-T21 WeakPolarHBondContact CA-OG1 3.33Å; F18-T21 PolarHBondContact O-N 2.9Å; F18-T21 PolarHBondContact O-OG1 2.81Å; T21-L24 PolarHBondContact O-N 3Å; T21-S25 WeakPolarHBondContact O-CB 3.49Å; T21-S25 PolarHBondContact O-N 3.07Å; T21-S25 PolarHBondContact O-OG 3.39Å
22	T	51.7	Low	58.2	Low	65 Å²	65	81.8 Å²	81.8	40%	0.399	41%	0.411	S	S	.	.	H	α-helix	trans	-72.1	-33.4	177.7	47.7	0	0	0	0	112.8	F18 Y19 M20 L24 S25	F18-T22 WeakPolarHBondContact O-CG2 3.44Å; F18-T22 PolarHBondContact O-N 3.43Å; F18-T22 PolarHBondContact O-OG1 2.98Å; Y19-T22 WeakPolarHBondContact CA-OG1 3.24Å; Y19-T22 PolarHBondContact O-N 3.28Å; Y19-T22 PolarHBondContact O-OG1 3.02Å; M20-T22 VanDerWaalsContact C-N 3.35Å; M20-T22 PolarHBondContact O-N 3.27Å; T22-L24 VanDerWaalsContact C-N 3.33Å; T22-S25 PolarHBondContact O-OG 3.29Å
23	I	51.4	Low	60.2	Low	8 Å²	8	82.5 Å²	82.5	4%	0.041	41%	0.405	C	S	.	.	H	α-helix	trans	-66.5	-36	170.3	-67.7	168	0	0	0	110.9	Y19 M20	Y19-I23 WeakPolarHBondContact O-CG1 3.25Å; Y19-I23 PolarHBondContact O-N 2.91Å; M20-I23 PolarHBondContact O-N 2.98Å
24	L	51.2	Low	62	Low	100 Å²	100	81.7 Å²	81.7	52%	0.524	40%	0.401	S	S	.	.	H	α-helix	trans	-79.9	-20.7	-178.7	-71.8	166.3	0	0	0	114.4	M20 T21 T22	M20-L24 WeakPolarHBondContact O-CB 3.42Å; M20-L24 WeakPolarHBondContact O-CD1 2.81Å; M20-L24 VanDerWaalsContact O-CG 3.24Å; M20-L24 WeakPolarHBondContact O-CG 3.47Å; M20-L24 PolarHBondContact O-N 3.46Å; T21-L24 PolarHBondContact O-N 3Å; T22-L24 VanDerWaalsContact C-N 3.33Å
25	S	45.8	Very low	63.8	Low	94 Å²	94	79.9 Å²	79.9	66%	0.657	40%	0.395	S	S	*	.	S	Bend	trans	-85.9	-9.8	-173.3	61.4	0	0	0	0	115.4	T21 T22	T21-S25 WeakPolarHBondContact O-CB 3.49Å; T21-S25 PolarHBondContact O-N 3.07Å; T21-S25 PolarHBondContact O-OG 3.39Å; T22-S25 PolarHBondContact O-OG 3.29Å
26	I	46.8	Very low	65.7	Low	80 Å²	80	74.3 Å²	74.3	41%	0.41	37%	0.374	S	S	.	.	S	Bend	trans	-88.5	134.2	179.4	-57.9	172.1	0	0	0	108.2	N28	I26-N28 PolarHBondContact O-N 2.96Å
27	Y	50.8	Low	67.5	Low	222 Å²	222	75.8 Å²	75.8	87%	0.871	38%	0.381	S	S	*	.			trans	-37.5	108.5	173.1	-95.4	-92.3	0	0	0	110.7	I29	Y27-I29 PolarHBondContact O-N 2.86Å
28	N	52	Low	69.3	Low	103 Å²	103	71.3 Å²	71.3	55%	0.551	36%	0.361	S	S	*	.			trans	-64.6	97.7	-171.6	-84.2	-46.2	0	0	0	110.4	I26 K30	I26-N28 PolarHBondContact O-N 2.96Å; N28-K30 PolarHBondContact O-N 3.22Å
29	I	65.2	Low	71.3	Confident	54 Å²	54	68.1 Å²	68.1	28%	0.277	35%	0.351	S	S	.	.			trans	-90.7	85	163.2	-33.5	-172.1	0	0	0	106.1	Y27 H105 P227 L334	Y27-I29 PolarHBondContact O-N 2.86Å; I29-H105 WeakPolarHBondContact CG2-NE2 3.33Å; I29-P227 HydrophobicContact CB-CB 4.25Å; I29-P227 HydrophobicContact CB-CG 3.99Å; I29-P227 HydrophobicContact CG2-CB 3.77Å; I29-P227 HydrophobicContact CG2-CG 3.58Å; I29-P227 WeakPolarHBondContact O-CG 3.4Å; I29-L334 VanDerWaalsContact O-O 3.12Å
30	K	78.7	Confident	73.4	Confident	91 Å²	91	64.2 Å²	64.2	40%	0.396	34%	0.335	S	S	.	.			trans	-97.5	143.8	176.8	-175.5	-177.8	171.1	178.2	0	109.1	N28 T32 K337	N28-K30 PolarHBondContact O-N 3.22Å; K30-T32 PolarHBondContact O-N 3.46Å; K30-K337 HydrophobicContact CD-CB 4.36Å
31	T	89.7	Confident	75.5	Confident	5 Å²	5	63.9 Å²	63.9	3%	0.031	33%	0.334	C	S	.	.			trans	-51.1	121.8	166.1	-60.8	0	0	0	0	110.9	V224 I225 R231 V335	T31-V224 HydrophobicContact CG2-CG1 3.66Å; T31-I225 CarbonylContact C-O 3.56Å; T31-I225 VanDerWaalsContact CA-O 3.27Å; T31-I225 WeakPolarHBondContact CA-O 3.31Å; T31-R231 HydrophobicContact CG2-CB 4.26Å; T31-V335 PolarHBondContact N-O 3.37Å; T31-V335 VanDerWaalsContact N-O 3.08Å; T31-V335 PolarHBondContact OG1-O 3.26Å
32	T	91.3	Very high	77.4	Confident	53 Å²	53	60.2 Å²	60.2	33%	0.325	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	142.7	177.6	57.7	0	0	0	0	110.8	K30 I225	K30-T32 PolarHBondContact O-N 3.46Å; T32-I225 PolarHBondContact N-O 3.39Å; T32-I225 PolarHBondContact O-N 3.32Å; T32-I225 WeakPolarHBondContact OG1-CB 3.37Å
33	W	93.6	Very high	79.5	Confident	76 Å²	76	58 Å²	58	29%	0.288	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	117.8	178.2	-67.7	70.3	0	0	0	107.4	Y110 Q222 L223 V224	W33-Y110 HydrophobicContact CE3-CD1 4.4Å; W33-Y110 HydrophobicContact CH2-CD2 4.35Å; W33-Y110 HydrophobicContact CH2-CE2 4.48Å; W33-Y110 HydrophobicContact CH2-CG 4.36Å; W33-Y110 AromaticContact CZ3-CD1 3.62Å; W33-Y110 HydrophobicContact CZ3-CD1 3.62Å; W33-Y110 HydrophobicContact CZ3-CD2 4.15Å; W33-Y110 AromaticContact CZ3-CE1 3.87Å; W33-Y110 HydrophobicContact CZ3-CE1 3.87Å; W33-Y110 HydrophobicContact CZ3-CE2 4.39Å; W33-Y110 AromaticContact CZ3-CG 3.73Å; W33-Y110 HydrophobicContact CZ3-CG 3.73Å; W33-Q222 HydrophobicContact CE3-CB 4.43Å; W33-L223 WeakPolarHBondContact CA-O 3.17Å; W33-V224 HydrophobicContact CD2-CG1 4.16Å; W33-V224 HydrophobicContact CD2-CG2 3.89Å; W33-V224 HydrophobicContact CE3-CG2 3.52Å; W33-V224 HydrophobicContact CH2-CG1 4.3Å; W33-V224 HydrophobicContact CH2-CG2 3.71Å; W33-V224 HydrophobicContact CZ2-CG1 3.83Å; W33-V224 HydrophobicContact CZ2-CG2 4.07Å; W33-V224 HydrophobicContact CZ3-CG2 3.43Å; W33-V224 VanDerWaalsContact CZ3-CG2 3.43Å
34	I	94.2	Very high	81.5	Confident	56 Å²	56	59 Å²	59	29%	0.287	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	103.7	-176.2	-54.2	-179.4	0	0	0	108.5	Y102 Q222 L223 I225	I34-Y102 HydrophobicContact CD1-CE2 4.08Å; I34-Q222 CarbonylContact O-C 3.55Å; I34-Q222 WeakPolarHBondContact O-CA 3.35Å; I34-L223 HydrophobicContact CB-CB 4.35Å; I34-L223 PolarHBondContact N-O 2.79Å; I34-L223 PolarHBondContact O-N 3.26Å; I34-I225 HydrophobicContact CD1-CD1 3.61Å; I34-I225 HydrophobicContact CG1-CD1 4.45Å
35	P	94.7	Very high	83.2	Confident	53 Å²	53	62.9 Å²	62.9	34%	0.344	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	136.1	173.1	27.5	-33.6	0	0	0	110.7	N37 Q222	P35-N37 PolarHBondContact O-N 2.91Å; P35-Q222 HydrophobicContact CB-CG 4.37Å
36	L	96.4	Very high	85.1	Confident	7 Å²	7	64.7 Å²	64.7	4%	0.037	33%	0.327	C	S	.	.			trans	-76.9	59.7	180	-66.8	-175.8	0	0	0	112.4	W40 K94 F96 L109 L153 P221 L223	L36-W40 HydrophobicContact CB-CZ2 4.08Å; L36-W40 PolarHBondContact O-NE1 2.9Å; L36-K94 HydrophobicContact CB-CG 4.32Å; L36-K94 HydrophobicContact CD1-CG 4.4Å; L36-K94 WeakPolarHBondContact O-CE 3.1Å; L36-F96 HydrophobicContact CD1-CD1 4.27Å; L36-F96 HydrophobicContact CD1-CE1 4.37Å; L36-F96 HydrophobicContact CD2-CB 4.07Å; L36-F96 HydrophobicContact CD2-CD1 4.3Å; L36-F96 HydrophobicContact CD2-CD2 4.12Å; L36-F96 HydrophobicContact CD2-CG 3.9Å; L36-L109 HydrophobicContact CD1-CD1 4.5Å; L36-L153 HydrophobicContact CD1-CD2 3.65Å; L36-P221 WeakPolarHBondContact CB-O 3.34Å; L36-P221 HydrophobicContact CD1-CB 4.23Å; L36-P221 WeakPolarHBondContact CG-O 3.08Å; L36-P221 PolarHBondContact N-O 2.97Å; L36-L223 HydrophobicContact CD2-CD1 3.86Å; L36-L223 HydrophobicContact CD2-CD2 4.43Å; L36-L223 HydrophobicContact CD2-CG 3.81Å; L36-L223 HydrophobicContact CG-CG 4.37Å
37	N	94.8	Very high	86.9	Confident	72 Å²	72	63.3 Å²	63.3	39%	0.385	32%	0.318	S	S	.	.			trans	-66.5	163.2	177.4	-66.5	-25.6	0	0	0	112.6	P35 K94 L220	P35-N37 PolarHBondContact O-N 2.91Å; N37-K94 WeakPolarHBondContact O-CE 3.45Å; N37-K94 PolarHBondContact O-NZ 3.36Å; N37-L220 WeakPolarHBondContact OD1-CD1 2.99Å
38	G	94.9	Very high	88.9	Confident	11 Å²	11	56.2 Å²	56.2	11%	0.113	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	107.5	-146.1	170.7	0	0	0	0	0	112.9	Y52 S53	G38-Y52 CarbonylContact O-C 3.58Å; G38-Y52 WeakPolarHBondContact O-CA 3.46Å; G38-S53 PolarHBondContact N-O 3.1Å; G38-S53 PolarHBondContact O-N 2.9Å
39	N	95.9	Very high	90.9	Very high	78 Å²	78	58.5 Å²	58.5	42%	0.417	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	130.6	-177.3	-66.1	-39.3	0	0	0	111.8	Q50 K94	N39-Q50 HydrophobicContact CB-CG 3.88Å; N39-Q50 PolarHBondContact ND2-NE2 3.1Å; N39-Q50 VanDerWaalsContact ND2-NE2 3.2Å; N39-Q50 PolarHBondContact OD1-NE2 3.23Å; N39-K94 WeakPolarHBondContact O-CD 3.34Å; N39-K94 PolarHBondContact O-NZ 3.32Å
40	W	96.1	Very high	92.3	Very high	1 Å²	1	61.8 Å²	61.8	0%	0.004	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	149	171.3	-77.8	78.8	0	0	0	108.7	L36 Q50 I51 L57 F92 I93 K94 F155 L217 L220 P221	L36-W40 HydrophobicContact CB-CZ2 4.08Å; L36-W40 PolarHBondContact O-NE1 2.9Å; W40-Q50 CarbonylContact O-C 3.47Å; W40-Q50 VanDerWaalsContact O-CA 3.29Å; W40-Q50 WeakPolarHBondContact O-CA 3.25Å; W40-I51 PolarHBondContact N-O 2.96Å; W40-I51 PolarHBondContact O-N 2.85Å; W40-L57 HydrophobicContact CB-CD2 3.57Å; W40-L57 HydrophobicContact CG-CD2 4.06Å; W40-F92 HydrophobicContact CE3-CB 4.16Å; W40-F92 HydrophobicContact CZ3-CB 4.26Å; W40-I93 CarbonylContact C-O 3.1Å; W40-I93 WeakPolarHBondContact CA-O 3.15Å; W40-K94 HydrophobicContact CD2-CB 3.86Å; W40-K94 HydrophobicContact CD2-CD 4.13Å; W40-K94 HydrophobicContact CD2-CG 4.33Å; W40-K94 HydrophobicContact CE3-CB 3.72Å; W40-K94 HydrophobicContact CG-CD 4.3Å; W40-K94 HydrophobicContact CH2-CB 3.54Å; W40-K94 HydrophobicContact CH2-CG 4.12Å; W40-K94 HydrophobicContact CZ2-CB 3.69Å; W40-K94 HydrophobicContact CZ2-CD 4.18Å; W40-K94 HydrophobicContact CZ2-CG 3.77Å; W40-K94 HydrophobicContact CZ3-CB 3.57Å; W40-F155 HydrophobicContact CH2-CD2 4.32Å; W40-F155 AromaticContact CH2-CE2 3.74Å; W40-F155 HydrophobicContact CH2-CE2 3.74Å; W40-F155 AromaticContact CZ3-CD2 3.89Å; W40-F155 HydrophobicContact CZ3-CD2 3.89Å; W40-F155 AromaticContact CZ3-CE2 3.79Å; W40-F155 HydrophobicContact CZ3-CE2 3.79Å; W40-L217 HydrophobicContact CE3-CD1 4.38Å; W40-L217 HydrophobicContact CH2-CD1 3.81Å; W40-L217 HydrophobicContact CZ2-CD1 4.39Å; W40-L217 HydrophobicContact CZ3-CD1 3.78Å; W40-L220 HydrophobicContact CZ2-CD2 3.95Å; W40-P221 HydrophobicContact CH2-CG 3.95Å; W40-P221 HydrophobicContact CZ2-CG 4.4Å
41	I	96.3	Very high	92.9	Very high	36 Å²	36	57.9 Å²	57.9	19%	0.185	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	126.8	171.5	-60.1	164.8	0	0	0	107.5	S48 R49 Q50 F92 I93 F95	I41-S48 VanDerWaalsContact CG2-OG 3.32Å; I41-S48 WeakPolarHBondContact CG2-OG 3.4Å; I41-R49 CarbonylContact C-O 3.6Å; I41-R49 WeakPolarHBondContact CA-O 2.99Å; I41-Q50 HydrophobicContact CG1-CB 4.4Å; I41-Q50 HydrophobicContact CG1-CG 4.45Å; I41-F92 CarbonylContact O-C 3.57Å; I41-F92 WeakPolarHBondContact O-CA 3.5Å; I41-I93 HydrophobicContact CB-CB 4.17Å; I41-I93 PolarHBondContact N-O 2.89Å; I41-I93 PolarHBondContact O-N 2.88Å; I41-F95 HydrophobicContact CD1-CD2 4.43Å; I41-F95 HydrophobicContact CD1-CE2 3.93Å
42	I	94.7	Very high	93	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	130.1	168.9	-171.5	175.2	0	0	0	108.5	S48 R49 I51 I66 W90 T91 F92	I42-S48 WeakPolarHBondContact O-CA 3.05Å; I42-R49 PolarHBondContact N-O 3.19Å; I42-R49 PolarHBondContact O-N 3.11Å; I42-I51 HydrophobicContact CG2-CD1 3.48Å; I42-I51 VanDerWaalsContact CG2-CD1 3.48Å; I42-I51 HydrophobicContact CG2-CG1 4.14Å; I42-I66 HydrophobicContact CG2-CD1 4.02Å; I42-W90 HydrophobicContact CD1-CE3 3.89Å; I42-W90 HydrophobicContact CD1-CZ3 4.29Å; I42-W90 HydrophobicContact CG1-CE3 3.79Å; I42-W90 HydrophobicContact CG1-CZ3 4.29Å; I42-T91 CarbonylContact C-O 3.51Å; I42-T91 WeakPolarHBondContact CA-O 3.38Å; I42-F92 HydrophobicContact CB-CD1 4.38Å; I42-F92 HydrophobicContact CD1-CD1 4.27Å; I42-F92 HydrophobicContact CD1-CE1 3.57Å; I42-F92 HydrophobicContact CD1-CZ 4.11Å; I42-F92 HydrophobicContact CG1-CD1 4.08Å; I42-F92 HydrophobicContact CG1-CE1 3.83Å; I42-F92 HydrophobicContact CG1-CZ 4.43Å
43	S	95	Very high	92.9	Very high	19 Å²	19	62.6 Å²	62.6	13%	0.133	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	158	179	61.9	0	0	0	0	113	F47 W90 T91	S43-F47 CarbonylContact C-O 3.56Å; S43-F47 WeakPolarHBondContact CA-O 3.49Å; S43-F47 VanDerWaalsContact CB-O 3.25Å; S43-F47 WeakPolarHBondContact CB-O 3.16Å; S43-W90 CarbonylContact O-C 3.54Å; S43-W90 WeakPolarHBondContact O-CA 3.47Å; S43-T91 PolarHBondContact N-O 2.73Å; S43-T91 PolarHBondContact O-N 2.89Å
44	N	93.2	Very high	92.7	Very high	28 Å²	28	61.4 Å²	61.4	15%	0.15	32%	0.316	C	S	.	.			trans	-134.1	-160.4	166.2	69.7	19	0	0	0	108.4	T46 F47 T88 N89 W90	N44-T46 VanDerWaalsContact C-N 3.31Å; N44-T46 PolarHBondContact O-N 3.43Å; N44-T46 PolarHBondContact OD1-N 3.18Å; N44-T46 PolarHBondContact OD1-OG1 3.08Å; N44-F47 PolarHBondContact N-O 2.04Å; N44-F47 VanDerWaalsContact OD1-CB 3.29Å; N44-F47 WeakPolarHBondContact OD1-CB 3.32Å; N44-F47 PolarHBondContact OD1-N 3.29Å; N44-T88 HydrophobicContact CB-CG2 3.66Å; N44-N89 WeakPolarHBondContact CB-O 3.4Å; N44-W90 HydrophobicContact CB-CD2 4.37Å; N44-W90 HydrophobicContact CB-CE3 3.89Å; N44-W90 HydrophobicContact CB-CH2 4.3Å; N44-W90 HydrophobicContact CB-CZ3 3.85Å; N44-W90 VanDerWaalsContact ND2-CH2 3.29Å; N44-W90 WeakPolarHBondContact ND2-CH2 3.42Å
45	Q	87.8	Confident	92.3	Very high	181 Å²	181	61.1 Å²	61.1	85%	0.846	31%	0.311	S	S	*	.	S	Bend	trans	-64.4	-28.2	-179.1	-65.7	175.2	-10.3	0	0	114.9
46	T	86.3	Confident	92.1	Very high	133 Å²	133	58.6 Å²	58.6	82%	0.816	30%	0.295	S	S	*	.	S	Bend	trans	-119.3	-8	-171.8	56.3	0	0	0	0	113.4	N44	N44-T46 VanDerWaalsContact C-N 3.31Å; N44-T46 PolarHBondContact O-N 3.43Å; N44-T46 PolarHBondContact OD1-N 3.18Å; N44-T46 PolarHBondContact OD1-OG1 3.08Å
47	F	84	Confident	91.9	Very high	50 Å²	50	58.2 Å²	58.2	22%	0.219	29%	0.293	C	S	.	.			trans	-144	142.4	-164.2	173.6	-91.9	0	0	0	111.6	S43 N44 R49 I66 W90	S43-F47 CarbonylContact C-O 3.56Å; S43-F47 WeakPolarHBondContact CA-O 3.49Å; S43-F47 VanDerWaalsContact CB-O 3.25Å; S43-F47 WeakPolarHBondContact CB-O 3.16Å; N44-F47 PolarHBondContact N-O 2.04Å; N44-F47 VanDerWaalsContact OD1-CB 3.29Å; N44-F47 WeakPolarHBondContact OD1-CB 3.32Å; N44-F47 PolarHBondContact OD1-N 3.29Å; F47-R49 HydrophobicContact CD2-CG 4.43Å; F47-R49 HydrophobicContact CE1-CB 3.95Å; F47-R49 HydrophobicContact CE1-CG 3.68Å; F47-R49 HydrophobicContact CE2-CG 3.45Å; F47-R49 VanDerWaalsContact CE2-CG 3.45Å; F47-R49 HydrophobicContact CZ-CB 3.75Å; F47-R49 HydrophobicContact CZ-CG 3.01Å; F47-I66 HydrophobicContact CE1-CD1 3.42Å; F47-I66 VanDerWaalsContact CE1-CD1 3.42Å; F47-I66 HydrophobicContact CE2-CG2 4.02Å; F47-I66 HydrophobicContact CZ-CB 4.33Å; F47-I66 HydrophobicContact CZ-CD1 3.3Å; F47-I66 HydrophobicContact CZ-CG1 3.95Å; F47-I66 HydrophobicContact CZ-CG2 3.61Å; F47-W90 HydrophobicContact CD1-CZ3 4.41Å
48	S	92.9	Very high	91.7	Very high	74 Å²	74	54.9 Å²	54.9	52%	0.517	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	128.9	172.7	-177.1	0	0	0	0	110	I41 I42	I41-S48 VanDerWaalsContact CG2-OG 3.32Å; I41-S48 WeakPolarHBondContact CG2-OG 3.4Å; I42-S48 WeakPolarHBondContact O-CA 3.05Å
49	R	93.4	Very high	91.6	Very high	151 Å²	151	54.3 Å²	54.3	57%	0.57	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142	146.8	176.1	-73.3	-65.8	-170.9	-178.6	0.3	111.8	I41 I42 F47 I66	I41-R49 CarbonylContact C-O 3.6Å; I41-R49 WeakPolarHBondContact CA-O 2.99Å; I42-R49 PolarHBondContact N-O 3.19Å; I42-R49 PolarHBondContact O-N 3.11Å; F47-R49 HydrophobicContact CD2-CG 4.43Å; F47-R49 HydrophobicContact CE1-CB 3.95Å; F47-R49 HydrophobicContact CE1-CG 3.68Å; F47-R49 HydrophobicContact CE2-CG 3.45Å; F47-R49 VanDerWaalsContact CE2-CG 3.45Å; F47-R49 HydrophobicContact CZ-CB 3.75Å; F47-R49 HydrophobicContact CZ-CG 3.01Å; R49-I66 HydrophobicContact CB-CD1 4.17Å; R49-I66 HydrophobicContact CB-CG1 4.3Å; R49-I66 HydrophobicContact CG-CD1 4.35Å; R49-I66 HydrophobicContact CG-CG1 4.32Å
50	Q	94.1	Very high	91.3	Very high	122 Å²	122	50.7 Å²	50.7	57%	0.57	25%	0.25	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-87.1	134.8	170	-169.4	176	-61	0	0	110.7	N39 W40 I41	N39-Q50 HydrophobicContact CB-CG 3.88Å; N39-Q50 PolarHBondContact ND2-NE2 3.1Å; N39-Q50 VanDerWaalsContact ND2-NE2 3.2Å; N39-Q50 PolarHBondContact OD1-NE2 3.23Å; W40-Q50 CarbonylContact O-C 3.47Å; W40-Q50 VanDerWaalsContact O-CA 3.29Å; W40-Q50 WeakPolarHBondContact O-CA 3.25Å; I41-Q50 HydrophobicContact CG1-CB 4.4Å; I41-Q50 HydrophobicContact CG1-CG 4.45Å
51	I	91.5	Very high	90.9	Very high	10 Å²	10	50.7 Å²	50.7	5%	0.051	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	128.6	179.9	-56.8	-178.8	0	0	0	108.4	W40 I42 I65 I66	W40-I51 PolarHBondContact N-O 2.96Å; W40-I51 PolarHBondContact O-N 2.85Å; I42-I51 HydrophobicContact CG2-CD1 3.48Å; I42-I51 VanDerWaalsContact CG2-CD1 3.48Å; I42-I51 HydrophobicContact CG2-CG1 4.14Å; I51-I65 HydrophobicContact CG2-CD1 4.07Å; I51-I65 HydrophobicContact CG2-CG2 4.37Å; I51-I66 HydrophobicContact CD1-CD1 3.86Å; I51-I66 HydrophobicContact CD1-CG1 4.05Å
52	Y	92.1	Very high	90.5	Very high	152 Å²	152	49 Å²	49	60%	0.596	24%	0.241	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-75.4	132.9	170	-173.6	-83.3	0	0	0	110	G38	G38-Y52 CarbonylContact O-C 3.58Å; G38-Y52 WeakPolarHBondContact O-CA 3.46Å
53	S	90.1	Very high	90	Very high	4 Å²	4	49.4 Å²	49.4	3%	0.028	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	133.7	173.7	-151.1	0	0	0	0	112.1	G38 Y55 G56	G38-S53 PolarHBondContact N-O 3.1Å; G38-S53 PolarHBondContact O-N 2.9Å; S53-Y55 WeakPolarHBondContact CB-O 3.45Å; S53-Y55 PolarHBondContact OG-O 2.9Å; S53-G56 PolarHBondContact OG-O 2.88Å
54	S	88.9	Confident	89.4	Confident	52 Å²	52	48.5 Å²	48.5	36%	0.364	24%	0.237	S	C	.	.	S	Bend	trans	-109.5	3.3	167.6	58	0	0	0	0	112.3
55	Y	85.8	Confident	88.7	Confident	49 Å²	49	50.6 Å²	50.6	19%	0.192	25%	0.248	C	C	.	.	S	Bend	trans	-133.3	179	177.3	-49.2	-78.2	0	0	0	108	S53 L220 G389 Q391 R402	S53-Y55 WeakPolarHBondContact CB-O 3.45Å; S53-Y55 PolarHBondContact OG-O 2.9Å; Y55-L220 VanDerWaalsContact O-CD1 3.31Å; Y55-L220 WeakPolarHBondContact O-CD1 3.43Å; Y55-L220 WeakPolarHBondContact O-CD2 3.37Å; Y55-L220 WeakPolarHBondContact O-CG 3.4Å; Y55-G389 CarbonylContact C-O 3.4Å; Y55-G389 WeakPolarHBondContact CB-O 3.45Å; Y55-Q391 VanDerWaalsContact CZ-NE2 3.27Å; Y55-Q391 PolarHBondContact OH-NE2 3.16Å; Y55-R402 HydrophobicContact CD1-CB 4.22Å; Y55-R402 HydrophobicContact CD1-CG 3.89Å; Y55-R402 HydrophobicContact CE1-CB 4.09Å; Y55-R402 HydrophobicContact CE1-CG 4.25Å
56	G	89.7	Confident	88.2	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.22	C	C	.	.			trans	-56.3	163.1	175.4	0	0	0	0	0	113.5	S53 L217 G389 R390	S53-G56 PolarHBondContact OG-O 2.88Å; G56-L217 CarbonylContact C-O 3.54Å; G56-L217 VanDerWaalsContact C-O 3.29Å; G56-L217 WeakPolarHBondContact CA-O 3.47Å; G56-G389 CarbonylContact C-O 3.21Å; G56-G389 VanDerWaalsContact CA-CA 3.45Å; G56-G389 VanDerWaalsContact CA-O 3.32Å; G56-G389 WeakPolarHBondContact CA-O 3.35Å; G56-G389 PolarHBondContact N-O 3.31Å; G56-G389 CarbonylContact O-C 3.46Å; G56-G389 VanDerWaalsContact O-C 3.31Å; G56-G389 VanDerWaalsContact O-O 3.06Å; G56-R390 WeakPolarHBondContact O-CG 3.2Å
57	L	91.7	Very high	87.9	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.19	C	C	.	.			trans	-141.1	114.4	-173	176.5	61.4	0	0	0	109.6	W40 F92 L217	W40-L57 HydrophobicContact CB-CD2 3.57Å; W40-L57 HydrophobicContact CG-CD2 4.06Å; L57-F92 HydrophobicContact CD2-CD1 3.95Å; L57-F92 HydrophobicContact CD2-CE1 4.45Å; L57-F92 HydrophobicContact CG-CD1 3.9Å; L57-F92 HydrophobicContact CG-CE1 3.95Å; L57-F92 WeakPolarHBondContact O-CE1 3.48Å; L57-L217 PolarHBondContact N-O 2.79Å; L57-L217 PolarHBondContact O-N 2.98Å
58	D	92.1	Very high	87.3	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.005	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-118.7	168.9	178.9	65.6	90.8	0	0	0	111.7	Y60 S61 G62 Q215	D58-Y60 PolarHBondContact O-N 3.41Å; D58-Y60 PolarHBondContact OD1-N 3.43Å; D58-Y60 VanDerWaalsContact OD1-N 3.17Å; D58-S61 VanDerWaalsContact CG-OG 3.23Å; D58-S61 PolarHBondContact N-OG 2.98Å; D58-S61 PolarHBondContact O-N 3.18Å; D58-S61 PolarHBondContact O-OG 2.99Å; D58-S61 PolarHBondContact OD1-N 2.91Å; D58-S61 WeakPolarHBondContact OD2-CB 3.34Å; D58-S61 PolarHBondContact OD2-OG 3.36Å; D58-G62 PolarHBondContact O-N 3.14Å; D58-Q215 CarbonylContact C-O 3.47Å; D58-Q215 VanDerWaalsContact CA-O 3.23Å; D58-Q215 WeakPolarHBondContact CA-O 3.33Å; D58-Q215 WeakPolarHBondContact CB-O 3.31Å
59	S	91.7	Very high	86.1	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-57.3	-48.5	-176.3	54	0	0	0	0	112.3	Q63 W90 Q215	S59-Q63 WeakPolarHBondContact O-CG 3.26Å; S59-Q63 PolarHBondContact O-N 2.87Å; S59-Q63 VanDerWaalsContact O-N 3.09Å; S59-W90 VanDerWaalsContact CB-CD1 3.49Å; S59-Q215 PolarHBondContact N-O 3.27Å; S59-Q215 PolarHBondContact OG-N 2.93Å; S59-Q215 VanDerWaalsContact OG-N 3.16Å; S59-Q215 PolarHBondContact OG-O 3.05Å; S59-Q215 PolarHBondContact OG-OE1 2.98Å
60	Y	90.6	Very high	85.3	Confident	1 Å²	1	43.1 Å²	43.1	0%	0.004	22%	0.22	C	C	.	.	H	α-helix	trans	-70.6	-44.8	-179.6	-78.4	-84.3	0	0	0	112.5	D58 G62 Q63 S64 P73 L82 I85 A86 L212 P213 I214 M387	D58-Y60 PolarHBondContact O-N 3.41Å; D58-Y60 PolarHBondContact OD1-N 3.43Å; D58-Y60 VanDerWaalsContact OD1-N 3.17Å; Y60-G62 VanDerWaalsContact C-N 3.28Å; Y60-G62 PolarHBondContact O-N 3.05Å; Y60-Q63 PolarHBondContact O-N 3.22Å; Y60-S64 WeakPolarHBondContact O-CB 3.29Å; Y60-S64 PolarHBondContact O-N 3.11Å; Y60-P73 HydrophobicContact CD1-CB 4.5Å; Y60-P73 HydrophobicContact CD1-CG 4.33Å; Y60-L82 HydrophobicContact CE1-CB 4.22Å; Y60-I85 HydrophobicContact CD1-CB 4.22Å; Y60-I85 HydrophobicContact CD1-CD1 3.7Å; Y60-I85 HydrophobicContact CD1-CG2 4.08Å; Y60-I85 HydrophobicContact CD2-CG2 3.99Å; Y60-I85 HydrophobicContact CE1-CB 3.79Å; Y60-I85 HydrophobicContact CE1-CD1 3.83Å; Y60-I85 HydrophobicContact CE1-CG1 4.31Å; Y60-I85 HydrophobicContact CE1-CG2 4.06Å; Y60-I85 HydrophobicContact CE2-CB 4.31Å; Y60-I85 HydrophobicContact CE2-CG2 3.97Å; Y60-I85 HydrophobicContact CG-CG2 4.06Å; Y60-A86 HydrophobicContact CE2-CB 4.45Å; Y60-A86 WeakPolarHBondContact OH-CB 3.13Å; Y60-L212 HydrophobicContact CD1-CD2 3.68Å; Y60-L212 HydrophobicContact CD2-CB 4.38Å; Y60-L212 HydrophobicContact CD2-CD2 4.43Å; Y60-L212 HydrophobicContact CE1-CD2 3.36Å; Y60-L212 HydrophobicContact CE2-CB 4.17Å; Y60-L212 HydrophobicContact CE2-CD2 4.15Å; Y60-L212 HydrophobicContact CG-CD2 4.2Å; Y60-P213 WeakPolarHBondContact CE2-O 3.32Å; Y60-I214 HydrophobicContact CD2-CG2 4.1Å; Y60-M387 HydrophobicContact CG-CE 4.43Å
61	S	87.3	Confident	84.8	Confident	1 Å²	1	39.4 Å²	39.4	1%	0.007	20%	0.204	C	C	.	.	H	α-helix	trans	-66.4	-34.3	179.1	77.4	0	0	0	0	111.7	D58 I65 M387 R390	D58-S61 VanDerWaalsContact CG-OG 3.23Å; D58-S61 PolarHBondContact N-OG 2.98Å; D58-S61 PolarHBondContact O-N 3.18Å; D58-S61 PolarHBondContact O-OG 2.99Å; D58-S61 PolarHBondContact OD1-N 2.91Å; D58-S61 WeakPolarHBondContact OD2-CB 3.34Å; D58-S61 PolarHBondContact OD2-OG 3.36Å; S61-I65 WeakPolarHBondContact O-CG1 3.31Å; S61-I65 PolarHBondContact O-N 2.95Å; S61-M387 VanDerWaalsContact CB-SD 3.59Å; S61-R390 PolarHBondContact O-NH1 3.21Å; S61-R390 VanDerWaalsContact O-NH1 3.09Å; S61-R390 WeakPolarHBondContact OG-CG 3.36Å; S61-R390 PolarHBondContact OG-NH1 2.93Å; S61-R390 VanDerWaalsContact OG-NH1 3.1Å
62	G	86.9	Confident	84.7	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-56.9	-54.8	169.4	0	0	0	0	0	111.5	D58 Y60 S64 I65 I66	D58-G62 PolarHBondContact O-N 3.14Å; Y60-G62 VanDerWaalsContact C-N 3.28Å; Y60-G62 PolarHBondContact O-N 3.05Å; G62-S64 VanDerWaalsContact C-N 3.34Å; G62-S64 PolarHBondContact O-N 3.24Å; G62-I65 PolarHBondContact O-N 2.9Å; G62-I66 VanDerWaalsContact O-CD1 3.28Å; G62-I66 WeakPolarHBondContact O-CD1 3.35Å; G62-I66 WeakPolarHBondContact O-CG1 3.48Å; G62-I66 PolarHBondContact O-N 2.88Å; G62-I66 VanDerWaalsContact O-N 3.13Å
63	Q	85.5	Confident	84.6	Confident	10 Å²	10	32.1 Å²	32.1	5%	0.047	18%	0.175	C	C	.	.	H	α-helix	trans	-63.7	-36.2	-179.6	-68.5	-50.8	-53.1	0	0	113.6	S59 Y60 I65 I66 G67 N71 W84 I85 W90	S59-Q63 WeakPolarHBondContact O-CG 3.26Å; S59-Q63 PolarHBondContact O-N 2.87Å; S59-Q63 VanDerWaalsContact O-N 3.09Å; Y60-Q63 PolarHBondContact O-N 3.22Å; Q63-I65 VanDerWaalsContact C-N 3.34Å; Q63-I65 PolarHBondContact O-N 2.86Å; Q63-I66 PolarHBondContact O-N 3Å; Q63-G67 PolarHBondContact O-N 3.22Å; Q63-N71 PolarHBondContact O-ND2 2.93Å; Q63-W84 HydrophobicContact CG-CH2 4.46Å; Q63-I85 HydrophobicContact CB-CD1 3.74Å; Q63-I85 HydrophobicContact CG-CD1 3.72Å; Q63-I85 HydrophobicContact CG-CG1 4.16Å; Q63-W90 HydrophobicContact CG-CH2 3.9Å; Q63-W90 HydrophobicContact CG-CZ2 4.15Å
64	S	81.9	Confident	84.7	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-60.8	-42	176.4	-175.3	0	0	0	0	112.1	Y60 G62 N68 N69 Y392	Y60-S64 WeakPolarHBondContact O-CB 3.29Å; Y60-S64 PolarHBondContact O-N 3.11Å; G62-S64 VanDerWaalsContact C-N 3.34Å; G62-S64 PolarHBondContact O-N 3.24Å; S64-N68 PolarHBondContact O-N 2.93Å; S64-N69 PolarHBondContact O-N 3.31Å; S64-Y392 PolarHBondContact OG-OH 2.92Å
65	I	77.9	Confident	85	Confident	72 Å²	72	30.9 Å²	30.9	37%	0.369	16%	0.164	S	C	.	.	H	α-helix	trans	-66.3	-47.4	176.1	-70.7	-175.1	0	0	0	111.4	I51 S61 G62 Q63 G67 N68	I51-I65 HydrophobicContact CG2-CD1 4.07Å; I51-I65 HydrophobicContact CG2-CG2 4.37Å; S61-I65 WeakPolarHBondContact O-CG1 3.31Å; S61-I65 PolarHBondContact O-N 2.95Å; G62-I65 PolarHBondContact O-N 2.9Å; Q63-I65 VanDerWaalsContact C-N 3.34Å; Q63-I65 PolarHBondContact O-N 2.86Å; I65-G67 PolarHBondContact O-N 2.89Å; I65-N68 PolarHBondContact O-N 2.86Å; I65-N68 VanDerWaalsContact O-N 3.16Å
66	I	79	Confident	85.4	Confident	50 Å²	50	29.5 Å²	29.5	26%	0.256	16%	0.16	S	C	.	.	H	α-helix	trans	-60.4	-40.2	-179.3	-68.5	154.5	0	0	0	110.6	I42 F47 R49 I51 G62 Q63 N68	I42-I66 HydrophobicContact CG2-CD1 4.02Å; F47-I66 HydrophobicContact CE1-CD1 3.42Å; F47-I66 VanDerWaalsContact CE1-CD1 3.42Å; F47-I66 HydrophobicContact CE2-CG2 4.02Å; F47-I66 HydrophobicContact CZ-CB 4.33Å; F47-I66 HydrophobicContact CZ-CD1 3.3Å; F47-I66 HydrophobicContact CZ-CG1 3.95Å; F47-I66 HydrophobicContact CZ-CG2 3.61Å; R49-I66 HydrophobicContact CB-CD1 4.17Å; R49-I66 HydrophobicContact CB-CG1 4.3Å; R49-I66 HydrophobicContact CG-CD1 4.35Å; R49-I66 HydrophobicContact CG-CG1 4.32Å; I51-I66 HydrophobicContact CD1-CD1 3.86Å; I51-I66 HydrophobicContact CD1-CG1 4.05Å; G62-I66 VanDerWaalsContact O-CD1 3.28Å; G62-I66 WeakPolarHBondContact O-CD1 3.35Å; G62-I66 WeakPolarHBondContact O-CG1 3.48Å; G62-I66 PolarHBondContact O-N 2.88Å; G62-I66 VanDerWaalsContact O-N 3.13Å; Q63-I66 PolarHBondContact O-N 3Å; I66-N68 VanDerWaalsContact C-N 3.27Å; I66-N68 PolarHBondContact O-N 3Å
67	G	78.9	Confident	85.6	Confident	18 Å²	18	31.8 Å²	31.8	19%	0.186	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	7.7	-179.9	0	0	0	0	0	115.1	Q63 I65 N69 N70	Q63-G67 PolarHBondContact O-N 3.22Å; I65-G67 PolarHBondContact O-N 2.89Å; G67-N69 VanDerWaalsContact C-N 3.3Å; G67-N69 PolarHBondContact O-N 3.22Å; G67-N70 WeakPolarHBondContact O-CB 3.21Å; G67-N70 PolarHBondContact O-N 3.24Å
68	N	71.4	Confident	85.7	Confident	139 Å²	139	32.8 Å²	32.8	74%	0.743	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.6	47.9	-175	-74.8	-15.7	0	0	0	113.2	S64 I65 I66 N70	S64-N68 PolarHBondContact O-N 2.93Å; I65-N68 PolarHBondContact O-N 2.86Å; I65-N68 VanDerWaalsContact O-N 3.16Å; I66-N68 VanDerWaalsContact C-N 3.27Å; I66-N68 PolarHBondContact O-N 3Å; N68-N70 VanDerWaalsContact C-N 3.27Å; N68-N70 PolarHBondContact O-N 2.87Å
69	N	68.7	Low	85.8	Confident	94 Å²	94	32.8 Å²	32.8	50%	0.503	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.3	-8.4	-175.1	-57.6	-47.5	0	0	0	117.3	S64 G67 N71 N72 Y392	S64-N69 PolarHBondContact O-N 3.31Å; G67-N69 VanDerWaalsContact C-N 3.3Å; G67-N69 PolarHBondContact O-N 3.22Å; N69-N71 PolarHBondContact O-N 2.62Å; N69-N72 WeakPolarHBondContact O-CB 3.27Å; N69-N72 PolarHBondContact O-N 3.08Å; N69-Y392 WeakPolarHBondContact OD1-CE2 3.48Å; N69-Y392 PolarHBondContact OD1-OH 3.47Å
70	N	75.1	Confident	86	Confident	131 Å²	131	35.1 Å²	35.1	70%	0.701	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-28.7	171.6	-70	-11.4	0	0	0	111.5	G67 N68 N72 N78	G67-N70 WeakPolarHBondContact O-CB 3.21Å; G67-N70 PolarHBondContact O-N 3.24Å; N68-N70 VanDerWaalsContact C-N 3.27Å; N68-N70 PolarHBondContact O-N 2.87Å; N70-N72 VanDerWaalsContact C-N 3.31Å; N70-N72 PolarHBondContact O-N 3.08Å; N70-N78 PolarHBondContact O-ND2 3.18Å
71	N	84	Confident	86.1	Confident	43 Å²	43	40.7 Å²	40.7	23%	0.23	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	34	173.9	-65.4	-11.9	0	0	0	112.3	Q63 N69 P73 L82	Q63-N71 PolarHBondContact O-ND2 2.93Å; N69-N71 PolarHBondContact O-N 2.62Å; N71-P73 VanDerWaalsContact O-CD 3.28Å; N71-P73 WeakPolarHBondContact O-CD 3.37Å; N71-L82 HydrophobicContact CB-CD1 4.23Å; N71-L82 HydrophobicContact CB-CD2 4.26Å; N71-L82 WeakPolarHBondContact O-CD1 3.03Å
72	N	88.9	Confident	86.4	Confident	9 Å²	9	41.1 Å²	41.1	5%	0.048	22%	0.218	C	C	.	.			trans	-81.4	113.4	172.1	179.6	-4.4	0	0	0	109.9	N69 N70 L74 I75 N78 Y392	N69-N72 WeakPolarHBondContact O-CB 3.27Å; N69-N72 PolarHBondContact O-N 3.08Å; N70-N72 VanDerWaalsContact C-N 3.31Å; N70-N72 PolarHBondContact O-N 3.08Å; N72-L74 PolarHBondContact O-N 2.81Å; N72-L74 VanDerWaalsContact OD1-CB 3.3Å; N72-L74 WeakPolarHBondContact OD1-CB 3.43Å; N72-L74 WeakPolarHBondContact OD1-CG 3.49Å; N72-L74 PolarHBondContact OD1-N 2.95Å; N72-I75 HydrophobicContact CB-CG1 3.72Å; N72-I75 WeakPolarHBondContact ND2-CG1 3.28Å; N72-I75 PolarHBondContact O-N 2.92Å; N72-N78 VanDerWaalsContact O-CB 3.27Å; N72-N78 WeakPolarHBondContact O-CB 3.45Å; N72-N78 PolarHBondContact O-ND2 3.39Å; N72-Y392 HydrophobicContact CB-CE1 4.25Å; N72-Y392 VanDerWaalsContact CB-OH 3.31Å; N72-Y392 WeakPolarHBondContact CB-OH 3.42Å; N72-Y392 WeakPolarHBondContact ND2-CE1 3.17Å; N72-Y392 PolarHBondContact ND2-OH 3.17Å; N72-Y392 VanDerWaalsContact OD1-CE1 3.29Å; N72-Y392 WeakPolarHBondContact OD1-CE1 3.39Å
73	P	91.2	Very high	86.8	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-15.2	179.7	26.5	-33.6	0	0	0	114.5	Y60 N71 I75 L82 L210 L212 M387	Y60-P73 HydrophobicContact CD1-CB 4.5Å; Y60-P73 HydrophobicContact CD1-CG 4.33Å; N71-P73 VanDerWaalsContact O-CD 3.28Å; N71-P73 WeakPolarHBondContact O-CD 3.37Å; P73-I75 VanDerWaalsContact C-N 3.27Å; P73-I75 PolarHBondContact O-N 2.88Å; P73-L82 HydrophobicContact CB-CD1 4.23Å; P73-L210 HydrophobicContact CB-CD1 4.13Å; P73-L212 HydrophobicContact CB-CD1 3.88Å; P73-L212 HydrophobicContact CB-CD2 3.4Å; P73-L212 VanDerWaalsContact CB-CD2 3.4Å; P73-L212 HydrophobicContact CB-CG 4.22Å; P73-L212 HydrophobicContact CG-CD1 3.68Å; P73-L212 HydrophobicContact CG-CD2 3.92Å; P73-L212 HydrophobicContact CG-CG 4.47Å; P73-M387 HydrophobicContact CG-CE 3.36Å
74	L	92.2	Very high	87.2	Confident	7 Å²	7	49.1 Å²	49.1	4%	0.037	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-5.4	179.1	-51.8	177.9	0	0	0	113.1	N72 L210 Y386 Y392 L394	N72-L74 PolarHBondContact O-N 2.81Å; N72-L74 VanDerWaalsContact OD1-CB 3.3Å; N72-L74 WeakPolarHBondContact OD1-CB 3.43Å; N72-L74 WeakPolarHBondContact OD1-CG 3.49Å; N72-L74 PolarHBondContact OD1-N 2.95Å; L74-L210 HydrophobicContact CD2-CD1 4.41Å; L74-L210 HydrophobicContact CD2-CD2 3.7Å; L74-Y386 HydrophobicContact CD2-CD2 4.23Å; L74-Y392 HydrophobicContact CD1-CD1 4.4Å; L74-Y392 HydrophobicContact CD1-CE1 4.45Å; L74-L394 HydrophobicContact CB-CD2 4.03Å; L74-L394 HydrophobicContact CB-CG 4.41Å; L74-L394 HydrophobicContact CD1-CD2 4.09Å; L74-L394 HydrophobicContact CD1-CG 4.03Å
75	I	93.7	Very high	87.7	Confident	24 Å²	24	49.1 Å²	49.1	12%	0.123	25%	0.248	C	C	.	.	S	Bend	trans	-100.7	136.9	-176.5	-55.1	-57.1	0	0	0	110.8	N72 P73 D77 N78 R613 S614	N72-I75 HydrophobicContact CB-CG1 3.72Å; N72-I75 WeakPolarHBondContact ND2-CG1 3.28Å; N72-I75 PolarHBondContact O-N 2.92Å; P73-I75 VanDerWaalsContact C-N 3.27Å; P73-I75 PolarHBondContact O-N 2.88Å; I75-D77 PolarHBondContact O-N 2.84Å; I75-N78 WeakPolarHBondContact O-CB 3.4Å; I75-N78 VanDerWaalsContact O-CG 3.31Å; I75-N78 PolarHBondContact O-N 3.06Å; I75-R613 WeakPolarHBondContact CD1-O 3.44Å; I75-S614 WeakPolarHBondContact CA-O 3.38Å
76	D	95	Very high	88.5	Confident	19 Å²	19	45.7 Å²	45.7	10%	0.102	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.7	-121.3	177.5	-60	-24.7	0	0	0	112.1	S614 I615 S616 Q623 R634	D76-S614 PolarHBondContact N-O 3.27Å; D76-I615 VanDerWaalsContact OD1-CA 3.22Å; D76-I615 WeakPolarHBondContact OD1-CA 3.24Å; D76-S616 PolarHBondContact OD1-N 3.09Å; D76-S616 WeakPolarHBondContact OD2-CB 3.45Å; D76-S616 PolarHBondContact OD2-OG 3Å; D76-Q623 PolarHBondContact OD1-NE2 2.87Å; D76-Q623 PolarHBondContact OD2-NE2 3.28Å; D76-R634 VanDerWaalsContact N-NH2 3.16Å; D76-R634 PolarHBondContact O-NE 2.73Å; D76-R634 PolarHBondContact O-NH2 3.39Å
77	D	94.7	Very high	89.3	Confident	49 Å²	49	48 Å²	48	26%	0.262	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.1	23.7	178	62.1	-24.8	0	0	0	111.8	I75 D79 V80 K81	I75-D77 PolarHBondContact O-N 2.84Å; D77-D79 VanDerWaalsContact C-OD1 3.26Å; D77-D79 WeakPolarHBondContact CA-OD1 3.3Å; D77-D79 PolarHBondContact O-N 3.3Å; D77-V80 PolarHBondContact O-N 2.76Å; D77-V80 VanDerWaalsContact O-N 3.12Å; D77-K81 VanDerWaalsContact CG-NZ 3.32Å; D77-K81 PolarHBondContact O-N 2.79Å; D77-K81 VanDerWaalsContact OD1-CE 3.25Å; D77-K81 WeakPolarHBondContact OD1-CE 3.44Å; D77-K81 IonicContact OD1-NZ 2.84Å; D77-K81 PolarHBondContact OD1-NZ 3.44Å; D77-K81 WeakPolarHBondContact OD2-CE 3.5Å; D77-K81 IonicContact OD2-NZ 2.74Å; D77-K81 PolarHBondContact OD2-NZ 2.87Å
78	N	94.1	Very high	90.1	Very high	21 Å²	21	48.6 Å²	48.6	11%	0.112	24%	0.237	C	C	.	.	H	α-helix	trans	-66.4	-18.8	-177.3	-77.9	-14.4	0	0	0	113.5	N70 N72 I75 V80 K81 L82	N70-N78 PolarHBondContact O-ND2 3.18Å; N72-N78 VanDerWaalsContact O-CB 3.27Å; N72-N78 WeakPolarHBondContact O-CB 3.45Å; N72-N78 PolarHBondContact O-ND2 3.39Å; I75-N78 WeakPolarHBondContact O-CB 3.4Å; I75-N78 VanDerWaalsContact O-CG 3.31Å; I75-N78 PolarHBondContact O-N 3.06Å; N78-V80 PolarHBondContact O-N 2.81Å; N78-K81 PolarHBondContact O-N 2.79Å; N78-L82 HydrophobicContact CB-CD1 3.93Å; N78-L82 HydrophobicContact CB-CG 4.2Å; N78-L82 WeakPolarHBondContact O-CB 3.49Å; N78-L82 VanDerWaalsContact O-CG 3.27Å; N78-L82 WeakPolarHBondContact O-CG 3.37Å; N78-L82 PolarHBondContact O-N 3.41Å
79	D	93.3	Very high	91.3	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-56.4	-39.1	170.6	64.3	-57.9	0	0	0	111.8	D77 H189 L210 H633	D77-D79 VanDerWaalsContact C-OD1 3.26Å; D77-D79 WeakPolarHBondContact CA-OD1 3.3Å; D77-D79 PolarHBondContact O-N 3.3Å; D79-H189 IonicContact OD2-ND1 3.08Å; D79-L210 HydrophobicContact CB-CB 3.73Å; D79-L210 HydrophobicContact CB-CD1 3.54Å; D79-L210 HydrophobicContact CB-CG 4.27Å; D79-H633 IonicContact OD1-CD2 2.7Å; D79-H633 IonicContact OD1-CE1 3.21Å; D79-H633 IonicContact OD1-NE2 3.82Å; D79-H633 PolarHBondContact OD1-NE2 3.45Å; D79-H633 IonicContact OD2-CE1 3.22Å; D79-H633 IonicContact OD2-NE2 3.61Å; D79-H633 PolarHBondContact OD2-NE2 3.18Å
80	V	95.5	Very high	92.6	Very high	49 Å²	49	40.7 Å²	40.7	30%	0.297	20%	0.195	S	C	.	.	H	α-helix	trans	-82.1	-46.1	175.4	173.5	0	0	0	0	111.3	D77 N78 L82 R83 H189	D77-V80 PolarHBondContact O-N 2.76Å; D77-V80 VanDerWaalsContact O-N 3.12Å; N78-V80 PolarHBondContact O-N 2.81Å; V80-L82 VanDerWaalsContact C-N 3.29Å; V80-L82 PolarHBondContact O-N 3.38Å; V80-R83 WeakPolarHBondContact O-CB 3.24Å; V80-R83 PolarHBondContact O-N 3.25Å; V80-H189 HydrophobicContact CG2-CB 4.03Å
81	K	94.1	Very high	93.6	Very high	119 Å²	119	35.9 Å²	35.9	52%	0.517	17%	0.17	S	C	.	.	H	α-helix	trans	-63	-34.7	-177	-69.2	170.8	171.9	158.6	0	113.2	D77 N78 R83	D77-K81 VanDerWaalsContact CG-NZ 3.32Å; D77-K81 PolarHBondContact O-N 2.79Å; D77-K81 VanDerWaalsContact OD1-CE 3.25Å; D77-K81 WeakPolarHBondContact OD1-CE 3.44Å; D77-K81 IonicContact OD1-NZ 2.84Å; D77-K81 PolarHBondContact OD1-NZ 3.44Å; D77-K81 WeakPolarHBondContact OD2-CE 3.5Å; D77-K81 IonicContact OD2-NZ 2.74Å; D77-K81 PolarHBondContact OD2-NZ 2.87Å; N78-K81 PolarHBondContact O-N 2.79Å; K81-R83 VanDerWaalsContact C-N 3.33Å
82	L	93.4	Very high	94.2	Very high	10 Å²	10	33.9 Å²	33.9	5%	0.052	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	9.1	-179	-57.6	176	0	0	0	112.9	Y60 N71 P73 N78 V80 W84 I85	Y60-L82 HydrophobicContact CE1-CB 4.22Å; N71-L82 HydrophobicContact CB-CD1 4.23Å; N71-L82 HydrophobicContact CB-CD2 4.26Å; N71-L82 WeakPolarHBondContact O-CD1 3.03Å; P73-L82 HydrophobicContact CB-CD1 4.23Å; N78-L82 HydrophobicContact CB-CD1 3.93Å; N78-L82 HydrophobicContact CB-CG 4.2Å; N78-L82 WeakPolarHBondContact O-CB 3.49Å; N78-L82 VanDerWaalsContact O-CG 3.27Å; N78-L82 WeakPolarHBondContact O-CG 3.37Å; N78-L82 PolarHBondContact O-N 3.41Å; V80-L82 VanDerWaalsContact C-N 3.29Å; V80-L82 PolarHBondContact O-N 3.38Å; L82-W84 PolarHBondContact O-N 3.48Å; L82-W84 VanDerWaalsContact O-N 3.11Å; L82-I85 HydrophobicContact CB-CD1 4Å; L82-I85 HydrophobicContact CD2-CD1 4.49Å; L82-I85 WeakPolarHBondContact O-CB 3.37Å; L82-I85 WeakPolarHBondContact O-CG1 3.12Å; L82-I85 PolarHBondContact O-N 2.64Å
83	R	93.6	Very high	94.6	Very high	64 Å²	64	34.4 Å²	34.4	24%	0.242	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-55.9	-29.4	-180	-179.6	172.2	-73.9	130.9	9	113.4	V80 K81 I85 A86 Y87 H189 E191	V80-R83 WeakPolarHBondContact O-CB 3.24Å; V80-R83 PolarHBondContact O-N 3.25Å; K81-R83 VanDerWaalsContact C-N 3.33Å; R83-I85 PolarHBondContact O-N 3.46Å; R83-I85 VanDerWaalsContact O-N 3.07Å; R83-A86 PolarHBondContact O-N 2.91Å; R83-A86 VanDerWaalsContact O-N 3.11Å; R83-Y87 HydrophobicContact CG-CD2 4.11Å; R83-Y87 HydrophobicContact CG-CE2 3.93Å; R83-H189 PolarHBondContact NH2-O 2.81Å; R83-E191 WeakPolarHBondContact CD-OE1 3.49Å; R83-E191 IonicContact NE-OE1 2.87Å; R83-E191 PolarHBondContact NE-OE1 2.88Å; R83-E191 VanDerWaalsContact NE-OE1 3.1Å
84	W	93.7	Very high	94.9	Very high	113 Å²	113	35.2 Å²	35.2	43%	0.428	17%	0.165	S	C	.	.	G	3₁₀ helix	trans	-56	-26.5	177.2	69.6	-94.7	0	0	0	113.4	Q63 L82 A86 Y87 T88 W90	Q63-W84 HydrophobicContact CG-CH2 4.46Å; L82-W84 PolarHBondContact O-N 3.48Å; L82-W84 VanDerWaalsContact O-N 3.11Å; W84-A86 PolarHBondContact O-N 2.85Å; W84-Y87 PolarHBondContact O-N 2.87Å; W84-T88 PolarHBondContact O-N 3.47Å; W84-T88 PolarHBondContact O-OG1 2.89Å; W84-W90 HydrophobicContact CH2-CH2 4.22Å; W84-W90 HydrophobicContact CH2-CZ2 4.24Å; W84-W90 HydrophobicContact CZ3-CH2 4.12Å; W84-W90 AromaticContact CZ3-CZ2 3.86Å; W84-W90 HydrophobicContact CZ3-CZ2 3.86Å
85	I	93.5	Very high	95.2	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-61.8	-44.6	178.2	-62.6	175.4	0	0	0	110.6	Y60 Q63 L82 R83 Y87 T88 W90 Q215	Y60-I85 HydrophobicContact CD1-CB 4.22Å; Y60-I85 HydrophobicContact CD1-CD1 3.7Å; Y60-I85 HydrophobicContact CD1-CG2 4.08Å; Y60-I85 HydrophobicContact CD2-CG2 3.99Å; Y60-I85 HydrophobicContact CE1-CB 3.79Å; Y60-I85 HydrophobicContact CE1-CD1 3.83Å; Y60-I85 HydrophobicContact CE1-CG1 4.31Å; Y60-I85 HydrophobicContact CE1-CG2 4.06Å; Y60-I85 HydrophobicContact CE2-CB 4.31Å; Y60-I85 HydrophobicContact CE2-CG2 3.97Å; Y60-I85 HydrophobicContact CG-CG2 4.06Å; Q63-I85 HydrophobicContact CB-CD1 3.74Å; Q63-I85 HydrophobicContact CG-CD1 3.72Å; Q63-I85 HydrophobicContact CG-CG1 4.16Å; L82-I85 HydrophobicContact CB-CD1 4Å; L82-I85 HydrophobicContact CD2-CD1 4.49Å; L82-I85 WeakPolarHBondContact O-CB 3.37Å; L82-I85 WeakPolarHBondContact O-CG1 3.12Å; L82-I85 PolarHBondContact O-N 2.64Å; R83-I85 PolarHBondContact O-N 3.46Å; R83-I85 VanDerWaalsContact O-N 3.07Å; I85-Y87 PolarHBondContact O-N 2.84Å; I85-T88 PolarHBondContact O-N 2.89Å; I85-W90 HydrophobicContact CG2-CZ2 4.04Å; I85-W90 PolarHBondContact O-NE1 2.75Å; I85-Q215 PolarHBondContact O-NE2 2.83Å
86	A	94.9	Very high	95.3	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-27.8	177.8	0	0	0	0	0	112.7	Y60 R83 W84 S159 V161 P213 Q215	Y60-A86 HydrophobicContact CE2-CB 4.45Å; Y60-A86 WeakPolarHBondContact OH-CB 3.13Å; R83-A86 PolarHBondContact O-N 2.91Å; R83-A86 VanDerWaalsContact O-N 3.11Å; W84-A86 PolarHBondContact O-N 2.85Å; A86-S159 VanDerWaalsContact O-CB 3.24Å; A86-S159 WeakPolarHBondContact O-CB 3.42Å; A86-S159 PolarHBondContact O-OG 2.87Å; A86-V161 HydrophobicContact CB-CG2 4.13Å; A86-P213 HydrophobicContact CB-CB 3.87Å; A86-P213 HydrophobicContact CB-CG 4.02Å; A86-Q215 PolarHBondContact O-NE2 3.07Å
87	Y	95.7	Very high	95.2	Very high	98 Å²	98	43.1 Å²	43.1	38%	0.384	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-1.4	179.9	-78.8	-95.9	0	0	0	113.9	R83 W84 I85 V161 L162 E191	R83-Y87 HydrophobicContact CG-CD2 4.11Å; R83-Y87 HydrophobicContact CG-CE2 3.93Å; W84-Y87 PolarHBondContact O-N 2.87Å; I85-Y87 PolarHBondContact O-N 2.84Å; Y87-V161 HydrophobicContact CE1-CG1 3.85Å; Y87-V161 HydrophobicContact CE2-CG1 4.03Å; Y87-L162 HydrophobicContact CD1-CD2 3.89Å; Y87-L162 HydrophobicContact CD1-CG 4.46Å; Y87-L162 HydrophobicContact CE1-CD2 4.22Å; Y87-E191 WeakPolarHBondContact CE2-OE1 3.46Å; Y87-E191 PolarHBondContact OH-OE2 2.81Å
88	T	95.5	Very high	94.9	Very high	32 Å²	32	41.1 Å²	41.1	20%	0.196	20%	0.196	C	C	.	.	S	Bend	trans	-99.8	142.5	-179.4	-59.7	0	0	0	0	110.5	N44 W84 I85 W90 Q215	N44-T88 HydrophobicContact CB-CG2 3.66Å; W84-T88 PolarHBondContact O-N 3.47Å; W84-T88 PolarHBondContact O-OG1 2.89Å; I85-T88 PolarHBondContact O-N 2.89Å; T88-W90 HydrophobicContact CG2-CD2 4.46Å; T88-W90 HydrophobicContact CG2-CZ2 4.01Å; T88-W90 PolarHBondContact O-NE1 2.88Å; T88-Q215 PolarHBondContact O-NE2 2.65Å
89	N	96.3	Very high	94.5	Very high	67 Å²	67	46 Å²	46	36%	0.358	22%	0.218	S	C	.	.			trans	-81.6	135.6	169.6	-67.5	-12.3	0	0	0	109.7	N44 C157 T158 S159	N44-N89 WeakPolarHBondContact CB-O 3.4Å; N89-C157 WeakPolarHBondContact CA-O 3.47Å; N89-T158 WeakPolarHBondContact OD1-CA 3.31Å; N89-S159 PolarHBondContact OD1-N 3.24Å
90	W	95.7	Very high	93.6	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	138.5	-175	-66.5	96.4	0	0	0	110.5	I42 S43 N44 F47 S59 Q63 W84 I85 T88 F92 C157	I42-W90 HydrophobicContact CD1-CE3 3.89Å; I42-W90 HydrophobicContact CD1-CZ3 4.29Å; I42-W90 HydrophobicContact CG1-CE3 3.79Å; I42-W90 HydrophobicContact CG1-CZ3 4.29Å; S43-W90 CarbonylContact O-C 3.54Å; S43-W90 WeakPolarHBondContact O-CA 3.47Å; N44-W90 HydrophobicContact CB-CD2 4.37Å; N44-W90 HydrophobicContact CB-CE3 3.89Å; N44-W90 HydrophobicContact CB-CH2 4.3Å; N44-W90 HydrophobicContact CB-CZ3 3.85Å; N44-W90 VanDerWaalsContact ND2-CH2 3.29Å; N44-W90 WeakPolarHBondContact ND2-CH2 3.42Å; F47-W90 HydrophobicContact CD1-CZ3 4.41Å; S59-W90 VanDerWaalsContact CB-CD1 3.49Å; Q63-W90 HydrophobicContact CG-CH2 3.9Å; Q63-W90 HydrophobicContact CG-CZ2 4.15Å; W84-W90 HydrophobicContact CH2-CH2 4.22Å; W84-W90 HydrophobicContact CH2-CZ2 4.24Å; W84-W90 HydrophobicContact CZ3-CH2 4.12Å; W84-W90 AromaticContact CZ3-CZ2 3.86Å; W84-W90 HydrophobicContact CZ3-CZ2 3.86Å; I85-W90 HydrophobicContact CG2-CZ2 4.04Å; I85-W90 PolarHBondContact O-NE1 2.75Å; T88-W90 HydrophobicContact CG2-CD2 4.46Å; T88-W90 HydrophobicContact CG2-CZ2 4.01Å; T88-W90 PolarHBondContact O-NE1 2.88Å; W90-F92 HydrophobicContact CB-CE2 3.94Å; W90-F92 HydrophobicContact CB-CZ 4.18Å; W90-C157 PolarHBondContact N-O 2.81Å; W90-C157 WeakPolarHBondContact O-CA 3.37Å; W90-C157 WeakPolarHBondContact O-CB 3.34Å; W90-C157 PolarHBondContact O-N 3.05Å
91	T	97.2	Very high	92.8	Very high	30 Å²	30	51.1 Å²	51.1	18%	0.184	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	130.4	173	-56.7	0	0	0	0	109.9	I42 S43 I93 F155 K156	I42-T91 CarbonylContact C-O 3.51Å; I42-T91 WeakPolarHBondContact CA-O 3.38Å; S43-T91 PolarHBondContact N-O 2.73Å; S43-T91 PolarHBondContact O-N 2.89Å; T91-I93 HydrophobicContact CG2-CD1 4.28Å; T91-I93 HydrophobicContact CG2-CG1 3.87Å; T91-F155 CarbonylContact C-O 3.46Å; T91-F155 VanDerWaalsContact CA-O 3.23Å; T91-F155 WeakPolarHBondContact CA-O 3.45Å; T91-K156 HydrophobicContact CG2-CG 3.92Å
92	F	96.7	Very high	92.1	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	124.8	174.3	-53	-97.4	0	0	0	109.1	W40 I41 I42 L57 W90 E154 F155 C157 Q215	W40-F92 HydrophobicContact CE3-CB 4.16Å; W40-F92 HydrophobicContact CZ3-CB 4.26Å; I41-F92 CarbonylContact O-C 3.57Å; I41-F92 WeakPolarHBondContact O-CA 3.5Å; I42-F92 HydrophobicContact CB-CD1 4.38Å; I42-F92 HydrophobicContact CD1-CD1 4.27Å; I42-F92 HydrophobicContact CD1-CE1 3.57Å; I42-F92 HydrophobicContact CD1-CZ 4.11Å; I42-F92 HydrophobicContact CG1-CD1 4.08Å; I42-F92 HydrophobicContact CG1-CE1 3.83Å; I42-F92 HydrophobicContact CG1-CZ 4.43Å; L57-F92 HydrophobicContact CD2-CD1 3.95Å; L57-F92 HydrophobicContact CD2-CE1 4.45Å; L57-F92 HydrophobicContact CG-CD1 3.9Å; L57-F92 HydrophobicContact CG-CE1 3.95Å; L57-F92 WeakPolarHBondContact O-CE1 3.48Å; W90-F92 HydrophobicContact CB-CE2 3.94Å; W90-F92 HydrophobicContact CB-CZ 4.18Å; F92-E154 CarbonylContact O-C 3.6Å; F92-E154 WeakPolarHBondContact O-CA 3.5Å; F92-F155 HydrophobicContact CB-CB 4.17Å; F92-F155 HydrophobicContact CB-CD2 4.48Å; F92-F155 HydrophobicContact CD2-CB 4.34Å; F92-F155 PolarHBondContact N-O 2.85Å; F92-F155 PolarHBondContact O-N 2.86Å; F92-C157 HydrophobicContact CE2-CB 4.46Å; F92-Q215 WeakPolarHBondContact CZ-O 3.34Å
93	I	97.7	Very high	91	Very high	21 Å²	21	51.5 Å²	51.5	11%	0.108	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	133.7	-175.6	-50.2	175.8	0	0	0	109.6	W40 I41 T91 F95 K152 L153 E154	W40-I93 CarbonylContact C-O 3.1Å; W40-I93 WeakPolarHBondContact CA-O 3.15Å; I41-I93 HydrophobicContact CB-CB 4.17Å; I41-I93 PolarHBondContact N-O 2.89Å; I41-I93 PolarHBondContact O-N 2.88Å; T91-I93 HydrophobicContact CG2-CD1 4.28Å; T91-I93 HydrophobicContact CG2-CG1 3.87Å; I93-F95 HydrophobicContact CG2-CD2 4.37Å; I93-F95 HydrophobicContact CG2-CE2 3.87Å; I93-F95 HydrophobicContact CG2-CZ 4.23Å; I93-K152 HydrophobicContact CG2-CD 4.46Å; I93-K152 HydrophobicContact CG2-CG 3.9Å; I93-L153 CarbonylContact C-O 3.59Å; I93-L153 WeakPolarHBondContact CA-O 3.41Å; I93-E154 HydrophobicContact CG1-CG 4.12Å; I93-E154 HydrophobicContact CG2-CG 4.16Å
94	K	97.5	Very high	90.2	Very high	16 Å²	16	55.7 Å²	55.7	7%	0.07	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	128.9	174.3	179.8	56.1	170.9	168.2	0	110.5	L36 N37 N39 W40 F96 L153	L36-K94 HydrophobicContact CB-CG 4.32Å; L36-K94 HydrophobicContact CD1-CG 4.4Å; L36-K94 WeakPolarHBondContact O-CE 3.1Å; N37-K94 WeakPolarHBondContact O-CE 3.45Å; N37-K94 PolarHBondContact O-NZ 3.36Å; N39-K94 WeakPolarHBondContact O-CD 3.34Å; N39-K94 PolarHBondContact O-NZ 3.32Å; W40-K94 HydrophobicContact CD2-CB 3.86Å; W40-K94 HydrophobicContact CD2-CD 4.13Å; W40-K94 HydrophobicContact CD2-CG 4.33Å; W40-K94 HydrophobicContact CE3-CB 3.72Å; W40-K94 HydrophobicContact CG-CD 4.3Å; W40-K94 HydrophobicContact CH2-CB 3.54Å; W40-K94 HydrophobicContact CH2-CG 4.12Å; W40-K94 HydrophobicContact CZ2-CB 3.69Å; W40-K94 HydrophobicContact CZ2-CD 4.18Å; W40-K94 HydrophobicContact CZ2-CG 3.77Å; W40-K94 HydrophobicContact CZ3-CB 3.57Å; K94-F96 HydrophobicContact CG-CD1 4.27Å; K94-L153 HydrophobicContact CB-CB 4.48Å; K94-L153 PolarHBondContact N-O 2.94Å; K94-L153 PolarHBondContact O-N 2.8Å
95	F	97.4	Very high	89.8	Confident	99 Å²	99	52.3 Å²	52.3	43%	0.434	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	133.3	163.8	-63.9	-85	0	0	0	109.8	I41 I93 A150 N151 K152	I41-F95 HydrophobicContact CD1-CD2 4.43Å; I41-F95 HydrophobicContact CD1-CE2 3.93Å; I93-F95 HydrophobicContact CG2-CD2 4.37Å; I93-F95 HydrophobicContact CG2-CE2 3.87Å; I93-F95 HydrophobicContact CG2-CZ 4.23Å; F95-A150 HydrophobicContact CD1-CB 4.4Å; F95-N151 VanDerWaalsContact CA-O 3.29Å; F95-N151 WeakPolarHBondContact CA-O 3.47Å; F95-K152 HydrophobicContact CD1-CB 4.04Å; F95-K152 HydrophobicContact CD1-CG 4.19Å; F95-K152 HydrophobicContact CE1-CB 3.73Å; F95-K152 HydrophobicContact CE1-CD 4.01Å; F95-K152 HydrophobicContact CE1-CG 3.61Å; F95-K152 HydrophobicContact CZ-CD 4.09Å; F95-K152 HydrophobicContact CZ-CG 3.9Å
96	F	95.8	Very high	89.6	Confident	19 Å²	19	52.8 Å²	52.8	8%	0.083	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	156.5	177.1	66.2	-81.7	0	0	0	111	L36 K94 I98 I122 L145 N151 L153 L223	L36-F96 HydrophobicContact CD1-CD1 4.27Å; L36-F96 HydrophobicContact CD1-CE1 4.37Å; L36-F96 HydrophobicContact CD2-CB 4.07Å; L36-F96 HydrophobicContact CD2-CD1 4.3Å; L36-F96 HydrophobicContact CD2-CD2 4.12Å; L36-F96 HydrophobicContact CD2-CG 3.9Å; K94-F96 HydrophobicContact CG-CD1 4.27Å; F96-I98 HydrophobicContact CD2-CD1 4.08Å; F96-I98 HydrophobicContact CE2-CD1 3.85Å; F96-I98 HydrophobicContact CE2-CG1 4.25Å; F96-I122 HydrophobicContact CZ-CD1 4.12Å; F96-L145 HydrophobicContact CE2-CD2 3.97Å; F96-L145 HydrophobicContact CZ-CD2 3.89Å; F96-N151 HydrophobicContact CD1-CB 4.35Å; F96-N151 HydrophobicContact CD2-CB 4.38Å; F96-N151 HydrophobicContact CE1-CB 3.94Å; F96-N151 HydrophobicContact CE2-CB 3.99Å; F96-N151 HydrophobicContact CZ-CB 3.77Å; F96-N151 PolarHBondContact N-O 2.81Å; F96-N151 WeakPolarHBondContact O-CB 3.45Å; F96-N151 PolarHBondContact O-N 2.98Å; F96-L153 HydrophobicContact CE1-CB 3.84Å; F96-L223 HydrophobicContact CD2-CD1 3.91Å; F96-L223 HydrophobicContact CE2-CD1 3.82Å; F96-L223 HydrophobicContact CE2-CD2 4.07Å; F96-L223 HydrophobicContact CZ-CD2 4.31Å
97	T	93.3	Very high	89.5	Confident	98 Å²	98	53.2 Å²	53.2	60%	0.601	27%	0.272	S	S	*	.			trans	-114	152.5	177.8	52	0	0	0	0	110
98	I	89.1	Confident	89.5	Confident	8 Å²	8	48.6 Å²	48.6	4%	0.041	25%	0.253	C	S	.	.			trans	-108.8	130.8	174.7	-61	-64.3	0	0	0	108.7	F96 Y102 I107 L145 L147 L223	F96-I98 HydrophobicContact CD2-CD1 4.08Å; F96-I98 HydrophobicContact CE2-CD1 3.85Å; F96-I98 HydrophobicContact CE2-CG1 4.25Å; I98-Y102 HydrophobicContact CG2-CD2 4.24Å; I98-I107 HydrophobicContact CD1-CD1 4.37Å; I98-I107 HydrophobicContact CG2-CD1 3.83Å; I98-L145 HydrophobicContact CD1-CD1 4.32Å; I98-L145 HydrophobicContact CG1-CD1 4.08Å; I98-L145 HydrophobicContact CG1-CD2 4.47Å; I98-L147 HydrophobicContact CG2-CD2 4.48Å; I98-L223 HydrophobicContact CD1-CD1 3.5Å
99	E	84.7	Confident	89.6	Confident	124 Å²	124	47 Å²	47	58%	0.579	24%	0.244	S	C	*	.			trans	-71.7	148.7	176.1	-62.4	-175.4	171.7	0	0	112	S101 Y102	E99-S101 WeakPolarHBondContact CB-OG 3.44Å; E99-S101 PolarHBondContact O-N 3.23Å; E99-S101 PolarHBondContact OE2-OG 2.81Å; E99-Y102 HydrophobicContact CB-CD2 3.96Å; E99-Y102 HydrophobicContact CB-CE2 3.96Å; E99-Y102 HydrophobicContact CG-CE2 4.39Å; E99-Y102 PolarHBondContact O-N 2.8Å
100	Q	74.9	Confident	89.6	Confident	84 Å²	84	44.6 Å²	44.6	39%	0.393	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-61.7	-26.2	-179.8	-163.1	71.6	13.5	0	0	113.2	Y102 L103	Q100-Y102 PolarHBondContact O-N 2.99Å; Q100-Y102 VanDerWaalsContact O-N 3.11Å; Q100-L103 HydrophobicContact CG-CD1 3.95Å; Q100-L103 HydrophobicContact CG-CG 4.41Å; Q100-L103 WeakPolarHBondContact O-CB 3.37Å; Q100-L103 WeakPolarHBondContact O-CG 3.17Å; Q100-L103 PolarHBondContact O-N 3.03Å
101	S	77.8	Confident	89.6	Confident	72 Å²	72	44.6 Å²	44.6	50%	0.503	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-57.1	-23.3	178	51.3	0	0	0	0	113.1	E99	E99-S101 WeakPolarHBondContact CB-OG 3.44Å; E99-S101 PolarHBondContact O-N 3.23Å; E99-S101 PolarHBondContact OE2-OG 2.81Å
102	Y	79.6	Confident	89.5	Confident	48 Å²	48	44.5 Å²	44.5	19%	0.188	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-92.1	3.8	-176.7	-56.5	-52.7	0	0	0	115.2	I34 I98 E99 Q100 N104 H105 I225	I34-Y102 HydrophobicContact CD1-CE2 4.08Å; I98-Y102 HydrophobicContact CG2-CD2 4.24Å; E99-Y102 HydrophobicContact CB-CD2 3.96Å; E99-Y102 HydrophobicContact CB-CE2 3.96Å; E99-Y102 HydrophobicContact CG-CE2 4.39Å; E99-Y102 PolarHBondContact O-N 2.8Å; Q100-Y102 PolarHBondContact O-N 2.99Å; Q100-Y102 VanDerWaalsContact O-N 3.11Å; Y102-N104 VanDerWaalsContact C-N 3.27Å; Y102-N104 PolarHBondContact O-N 2.87Å; Y102-N104 VanDerWaalsContact O-N 3.1Å; Y102-H105 WeakPolarHBondContact O-CB 3.29Å; Y102-H105 PolarHBondContact O-N 2.89Å; Y102-I225 HydrophobicContact CD1-CB 4.45Å; Y102-I225 HydrophobicContact CD1-CD1 3.72Å; Y102-I225 HydrophobicContact CD1-CG2 3.59Å; Y102-I225 HydrophobicContact CD2-CD1 3.58Å; Y102-I225 HydrophobicContact CE1-CD1 3.71Å; Y102-I225 HydrophobicContact CE1-CG2 4.13Å; Y102-I225 HydrophobicContact CE2-CD1 3.59Å; Y102-I225 HydrophobicContact CG-CD1 3.64Å; Y102-I225 HydrophobicContact CG-CG2 4.08Å
103	L	69.7	Low	89.2	Confident	89 Å²	89	44.7 Å²	44.7	47%	0.466	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-46.3	-42.4	-178.2	-92.7	174.7	0	0	0	115.5	Q100 L147	Q100-L103 HydrophobicContact CG-CD1 3.95Å; Q100-L103 HydrophobicContact CG-CG 4.41Å; Q100-L103 WeakPolarHBondContact O-CB 3.37Å; Q100-L103 WeakPolarHBondContact O-CG 3.17Å; Q100-L103 PolarHBondContact O-N 3.03Å; L103-L147 HydrophobicContact CD2-CD1 3.37Å; L103-L147 HydrophobicContact CD2-CD2 4.24Å; L103-L147 HydrophobicContact CD2-CG 4.45Å
104	N	77.2	Confident	89.1	Confident	152 Å²	152	43.7 Å²	43.7	81%	0.813	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.5	12.1	-175.1	-65.6	-18	0	0	0	113.2	Y102	Y102-N104 VanDerWaalsContact C-N 3.27Å; Y102-N104 PolarHBondContact O-N 2.87Å; Y102-N104 VanDerWaalsContact O-N 3.1Å
105	H	85.4	Confident	88.8	Confident	42 Å²	42	42.9 Å²	42.9	19%	0.194	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	155.5	-177.2	-64.5	79.3	0	0	0	111.5	I29 Y102 I225	I29-H105 WeakPolarHBondContact CG2-NE2 3.33Å; Y102-H105 WeakPolarHBondContact O-CB 3.29Å; Y102-H105 PolarHBondContact O-N 2.89Å; H105-I225 HydrophobicContact CB-CG2 3.45Å; H105-I225 VanDerWaalsContact CB-CG2 3.45Å
106	T	90	Very high	88.1	Confident	10 Å²	10	38.2 Å²	38.2	6%	0.061	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	123.7	166.3	-63.9	0	0	0	0	108.3	E108 K140 I225 S226 G229 N261	T106-E108 HydrophobicContact CG2-CG 4.33Å; T106-K140 HydrophobicContact CG2-CD 4.26Å; T106-K140 HydrophobicContact CG2-CG 4.14Å; T106-I225 WeakPolarHBondContact O-CA 3.49Å; T106-S226 PolarHBondContact N-O 3.32Å; T106-S226 PolarHBondContact O-N 2.58Å; T106-G229 VanDerWaalsContact CB-CA 3.48Å; T106-G229 WeakPolarHBondContact OG1-CA 3.3Å; T106-G229 PolarHBondContact OG1-N 2.95Å; T106-N261 HydrophobicContact CG2-CB 4.2Å
107	I	93.2	Very high	88.2	Confident	9 Å²	9	38.1 Å²	38.1	5%	0.046	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	125.3	176.2	-53.4	175.7	0	0	0	109.1	I98 I141 S142 L145 L223 V224 I225	I98-I107 HydrophobicContact CD1-CD1 4.37Å; I98-I107 HydrophobicContact CG2-CD1 3.83Å; I107-I141 HydrophobicContact CG2-CD1 4.12Å; I107-I141 HydrophobicContact CG2-CG1 4.05Å; I107-I141 WeakPolarHBondContact O-CG1 3.49Å; I107-I141 PolarHBondContact O-N 2.82Å; I107-S142 PolarHBondContact N-OG 3.33Å; I107-S142 PolarHBondContact O-N 2.91Å; I107-S142 PolarHBondContact O-OG 2.79Å; I107-L145 HydrophobicContact CB-CD1 4.1Å; I107-L145 HydrophobicContact CD1-CD1 3.89Å; I107-L145 HydrophobicContact CG2-CD1 3.83Å; I107-L223 HydrophobicContact CG2-CB 4.47Å; I107-L223 HydrophobicContact CG2-CD2 4.37Å; I107-V224 WeakPolarHBondContact CA-O 3.16Å; I107-I225 HydrophobicContact CG1-CG1 4.31Å; I107-I225 HydrophobicContact CG1-CG2 4.34Å; I107-I225 HydrophobicContact CG2-CG1 4.44Å
108	E	95	Very high	88.4	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	144.7	176	-60.7	164.1	-177.6	0	0	110.5	T106 T138 W139 L223 V224 R231 N261	T106-E108 HydrophobicContact CG2-CG 4.33Å; E108-T138 HydrophobicContact CB-CG2 3.99Å; E108-T138 HydrophobicContact CG-CG2 4.3Å; E108-W139 CarbonylContact C-O 3.58Å; E108-W139 WeakPolarHBondContact CA-O 3.28Å; E108-L223 CarbonylContact O-C 3.53Å; E108-L223 WeakPolarHBondContact O-CA 3.41Å; E108-V224 HydrophobicContact CB-CB 4.23Å; E108-V224 PolarHBondContact N-O 3.03Å; E108-V224 PolarHBondContact O-N 3.43Å; E108-R231 IonicContact OE1-NE 2.88Å; E108-R231 IonicContact OE2-CZ 2.62Å; E108-R231 VanDerWaalsContact OE2-CZ 3.27Å; E108-R231 IonicContact OE2-NE 2.75Å; E108-R231 PolarHBondContact OE2-NE 3.39Å; E108-R231 IonicContact OE2-NH2 3.27Å; E108-R231 PolarHBondContact OE2-NH2 3.11Å; E108-N261 PolarHBondContact OE1-ND2 3.12Å
109	L	97.1	Very high	88.8	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	120.3	163.3	-179.3	64.6	0	0	0	107.9	L36 I111 I120 L127 T138 W139 I141 L153 P221 L223	L36-L109 HydrophobicContact CD1-CD1 4.5Å; L109-I111 HydrophobicContact CD2-CD1 3.85Å; L109-I111 HydrophobicContact CG-CD1 3.99Å; L109-I111 HydrophobicContact CG-CG1 4.35Å; L109-I120 HydrophobicContact CD2-CG2 4.01Å; L109-L127 HydrophobicContact CD2-CD1 3.75Å; L109-T138 CarbonylContact O-C 3.53Å; L109-T138 VanDerWaalsContact O-CA 3.28Å; L109-T138 WeakPolarHBondContact O-CA 3.46Å; L109-W139 HydrophobicContact CD2-CE3 4.41Å; L109-W139 PolarHBondContact N-O 2.82Å; L109-W139 PolarHBondContact O-N 3.2Å; L109-I141 HydrophobicContact CB-CD1 3.89Å; L109-I141 HydrophobicContact CB-CG1 4.4Å; L109-I141 HydrophobicContact CB-CG2 3.89Å; L109-L153 HydrophobicContact CD1-CD2 3.9Å; L109-L153 HydrophobicContact CD2-CD1 3.7Å; L109-L153 HydrophobicContact CD2-CD2 4.31Å; L109-P221 HydrophobicContact CD1-CB 3.95Å; L109-L223 HydrophobicContact CD1-CD2 4.48Å
110	Y	97	Very high	89.4	Confident	15 Å²	15	30.4 Å²	30.4	6%	0.059	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	130.2	177.6	174.3	-93.3	0	0	0	110.7	W33 D112 T138 P221 Q222 V224 E234	W33-Y110 HydrophobicContact CE3-CD1 4.4Å; W33-Y110 HydrophobicContact CH2-CD2 4.35Å; W33-Y110 HydrophobicContact CH2-CE2 4.48Å; W33-Y110 HydrophobicContact CH2-CG 4.36Å; W33-Y110 AromaticContact CZ3-CD1 3.62Å; W33-Y110 HydrophobicContact CZ3-CD1 3.62Å; W33-Y110 HydrophobicContact CZ3-CD2 4.15Å; W33-Y110 AromaticContact CZ3-CE1 3.87Å; W33-Y110 HydrophobicContact CZ3-CE1 3.87Å; W33-Y110 HydrophobicContact CZ3-CE2 4.39Å; W33-Y110 AromaticContact CZ3-CG 3.73Å; W33-Y110 HydrophobicContact CZ3-CG 3.73Å; Y110-D112 HydrophobicContact CE1-CB 3.71Å; Y110-D112 WeakPolarHBondContact OH-CB 3.5Å; Y110-T138 WeakPolarHBondContact CD2-OG1 3.34Å; Y110-P221 WeakPolarHBondContact O-CA 3.28Å; Y110-Q222 HydrophobicContact CD1-CB 4.29Å; Y110-Q222 HydrophobicContact CD1-CG 4.47Å; Y110-Q222 PolarHBondContact N-O 3.28Å; Y110-Q222 PolarHBondContact O-N 2.88Å; Y110-V224 HydrophobicContact CG-CG2 4.22Å; Y110-E234 WeakPolarHBondContact CE2-OE1 3.38Å; Y110-E234 VanDerWaalsContact OH-CD 3.28Å; Y110-E234 PolarHBondContact OH-OE1 3.43Å
111	I	96.2	Very high	90.6	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	126.4	179.4	-66.3	152.1	0	0	0	108.4	L109 I114 I120 S136 Y137 W139 F155 P221	L109-I111 HydrophobicContact CD2-CD1 3.85Å; L109-I111 HydrophobicContact CG-CD1 3.99Å; L109-I111 HydrophobicContact CG-CG1 4.35Å; I111-I114 HydrophobicContact CG2-CB 3.82Å; I111-I114 HydrophobicContact CG2-CD1 4.42Å; I111-I114 HydrophobicContact CG2-CG2 3.86Å; I111-I120 HydrophobicContact CD1-CG2 4.37Å; I111-S136 CarbonylContact O-C 3.51Å; I111-S136 VanDerWaalsContact O-CA 3.26Å; I111-S136 WeakPolarHBondContact O-CA 3.38Å; I111-Y137 PolarHBondContact N-O 2.84Å; I111-Y137 PolarHBondContact O-N 3.48Å; I111-W139 HydrophobicContact CD1-CE3 4.45Å; I111-W139 HydrophobicContact CD1-CZ3 3.71Å; I111-F155 HydrophobicContact CD1-CE1 3.52Å; I111-F155 HydrophobicContact CD1-CZ 3.79Å; I111-F155 HydrophobicContact CG1-CE1 4.23Å; I111-F155 HydrophobicContact CG1-CZ 4.34Å; I111-P221 HydrophobicContact CG1-CB 3.75Å; I111-P221 HydrophobicContact CG1-CG 4Å
112	D	93.7	Very high	91.5	Very high	29 Å²	29	23.6 Å²	23.6	16%	0.155	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	122.2	173	-175.7	22.1	0	0	0	110.3	Y110 T219 R471 R475	Y110-D112 HydrophobicContact CE1-CB 3.71Å; Y110-D112 WeakPolarHBondContact OH-CB 3.5Å; D112-T219 WeakPolarHBondContact O-CB 3.29Å; D112-T219 VanDerWaalsContact O-CG2 3.26Å; D112-T219 WeakPolarHBondContact O-CG2 3.32Å; D112-T219 PolarHBondContact O-OG1 3.31Å; D112-R471 IonicContact OD1-CZ 2.86Å; D112-R471 VanDerWaalsContact OD1-CZ 3.31Å; D112-R471 IonicContact OD1-NH1 3.83Å; D112-R471 PolarHBondContact OD1-NH1 3.37Å; D112-R471 IonicContact OD1-NH2 3.71Å; D112-R471 PolarHBondContact OD1-NH2 2.91Å; D112-R471 IonicContact OD2-NH2 4Å; D112-R471 PolarHBondContact OD2-NH2 3.32Å; D112-R471 VanDerWaalsContact OD2-NH2 3.15Å; D112-R475 IonicContact OD2-NH1 3.04Å
113	G	91.4	Very high	92.3	Very high	3 Å²	3	22.9 Å²	22.9	3%	0.031	12%	0.117	C	C	.	.			trans	76.5	79.7	-173.1	0	0	0	0	0	112.1	W218	G113-W218 WeakPolarHBondContact O-CA 3.45Å; G113-W218 WeakPolarHBondContact O-CB 3.42Å; G113-W218 PolarHBondContact O-N 2.95Å
114	I	94.4	Very high	93.6	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	129.6	169.1	-178.2	168.2	0	0	0	108.4	I111 C118 I120 T130 S133 Y137 F155 G216 L217	I111-I114 HydrophobicContact CG2-CB 3.82Å; I111-I114 HydrophobicContact CG2-CD1 4.42Å; I111-I114 HydrophobicContact CG2-CG2 3.86Å; I114-C118 HydrophobicContact CD1-CB 3.72Å; I114-C118 HydrophobicContact CG1-CB 4.43Å; I114-I120 HydrophobicContact CD1-CD1 3.85Å; I114-T130 HydrophobicContact CD1-CG2 4.34Å; I114-T130 HydrophobicContact CG2-CG2 3.97Å; I114-S133 WeakPolarHBondContact O-CA 3.35Å; I114-S133 VanDerWaalsContact O-CB 3.26Å; I114-S133 WeakPolarHBondContact O-CB 3.08Å; I114-S133 PolarHBondContact O-OG 2.82Å; I114-Y137 HydrophobicContact CG2-CD2 3.93Å; I114-Y137 HydrophobicContact CG2-CE2 3.82Å; I114-F155 HydrophobicContact CD1-CD1 3.58Å; I114-F155 HydrophobicContact CD1-CE1 3.9Å; I114-G216 WeakPolarHBondContact CA-O 3.37Å; I114-L217 HydrophobicContact CD1-CD2 4.09Å; I114-L217 HydrophobicContact CG1-CD2 4.18Å
115	D	92.2	Very high	94.5	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	113.7	-179.4	-166.4	-22.5	0	0	0	110.8	S133 T199 I214 Q215 G216 W218	D115-S133 WeakPolarHBondContact CA-OG 3.44Å; D115-T199 PolarHBondContact OD1-OG1 3.03Å; D115-T199 PolarHBondContact OD2-OG1 3.17Å; D115-I214 HydrophobicContact CB-CD1 4.08Å; D115-I214 HydrophobicContact CB-CG1 3.88Å; D115-I214 WeakPolarHBondContact OD2-CG1 3.2Å; D115-Q215 CarbonylContact O-C 3.56Å; D115-Q215 WeakPolarHBondContact O-CA 3.37Å; D115-G216 PolarHBondContact N-O 3.05Å; D115-G216 PolarHBondContact O-N 3.32Å; D115-W218 HydrophobicContact CB-CZ2 4.03Å
116	T	82.9	Confident	95.1	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.127	C	C	.	.	S	Bend	cis	-133.8	-47.2	-27.1	-163.9	0	0	0	0	109.8	C118 T130 S133 T160 I197	T116-C118 PolarHBondContact O-N 3.04Å; T116-C118 VanDerWaalsContact O-N 3.12Å; T116-T130 CarbonylContact O-C 3.59Å; T116-T130 VanDerWaalsContact O-CB 3.27Å; T116-T130 WeakPolarHBondContact O-CB 3.11Å; T116-T130 PolarHBondContact O-OG1 2.98Å; T116-S133 WeakPolarHBondContact CB-OG 3.35Å; T116-S133 PolarHBondContact OG1-N 2.62Å; T116-S133 PolarHBondContact OG1-OG 2.73Å; T116-T160 HydrophobicContact CG2-CG2 3.99Å; T116-I197 HydrophobicContact CG2-CG2 4.04Å
117	F	96.9	Very high	95.5	Very high	17 Å²	17	25 Å²	25	8%	0.075	13%	0.132	C	C	.	.			trans	-86.5	80	-177.7	-57.6	-69.8	0	0	0	112.9	T130 E131 C157 T158 T160 I163 I197	F117-T130 WeakPolarHBondContact CA-O 3.49Å; F117-E131 HydrophobicContact CD1-CB 4.06Å; F117-E131 HydrophobicContact CE1-CB 3.77Å; F117-C157 CarbonylContact O-C 3.55Å; F117-C157 WeakPolarHBondContact O-CA 3.4Å; F117-T158 PolarHBondContact O-N 3.03Å; F117-T160 HydrophobicContact CD2-CG2 4.41Å; F117-T160 HydrophobicContact CE2-CG2 4.09Å; F117-I163 HydrophobicContact CB-CG1 4.25Å; F117-I163 HydrophobicContact CD1-CG2 4.19Å; F117-I163 HydrophobicContact CD2-CB 3.64Å; F117-I163 HydrophobicContact CD2-CG1 3.7Å; F117-I163 HydrophobicContact CD2-CG2 3.65Å; F117-I163 HydrophobicContact CE1-CG2 3.95Å; F117-I163 HydrophobicContact CE2-CB 3.69Å; F117-I163 HydrophobicContact CE2-CG1 4.27Å; F117-I163 HydrophobicContact CE2-CG2 3.37Å; F117-I163 HydrophobicContact CG-CB 4.29Å; F117-I163 HydrophobicContact CG-CG1 3.99Å; F117-I163 HydrophobicContact CG-CG2 4.06Å; F117-I163 HydrophobicContact CZ-CB 4.37Å; F117-I163 HydrophobicContact CZ-CG2 3.55Å; F117-I197 HydrophobicContact CE2-CD1 3.77Å; F117-I197 HydrophobicContact CE2-CG1 4.32Å; F117-I197 HydrophobicContact CE2-CG2 3.67Å; F117-I197 HydrophobicContact CZ-CD1 3.65Å; F117-I197 HydrophobicContact CZ-CG1 4.45Å; F117-I197 HydrophobicContact CZ-CG2 3.75Å
118	C	97.5	Very high	95.6	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	128	-177.2	-53.7	0	0	0	0	111.4	I114 T116 I120 V129 T130 K156 C157	I114-C118 HydrophobicContact CD1-CB 3.72Å; I114-C118 HydrophobicContact CG1-CB 4.43Å; T116-C118 PolarHBondContact O-N 3.04Å; T116-C118 VanDerWaalsContact O-N 3.12Å; C118-I120 HydrophobicContact CB-CD1 3.97Å; C118-V129 WeakPolarHBondContact O-CA 3.45Å; C118-T130 PolarHBondContact N-OG1 2.92Å; C118-T130 VanDerWaalsContact N-OG1 3.14Å; C118-T130 PolarHBondContact O-N 2.59Å; C118-T130 PolarHBondContact O-OG1 2.9Å; C118-K156 WeakPolarHBondContact CA-O 3.18Å; C118-C157 HydrophobicContact CB-CB 4.1Å; C118-C157 WeakPolarHBondContact CB-SG 3.29Å; C118-C157 WeakPolarHBondContact SG-CB 3.3Å; C118-C157 CovalentContact SG-SG 2.04Å; C118-C157 PolarHBondContact SG-SG 2.98Å
119	E	97.9	Very high	95.7	Very high	69 Å²	69	30.3 Å²	30.3	32%	0.322	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	127.1	164.5	-174.3	-172.9	-165	0	0	109.1	I121 S126 V129 F155 K156	E119-I121 HydrophobicContact CG-CD1 4.31Å; E119-I121 HydrophobicContact CG-CG1 4.06Å; E119-S126 PolarHBondContact OE1-OG 2.9Å; E119-V129 HydrophobicContact CB-CG2 4.21Å; E119-V129 HydrophobicContact CG-CG2 4.27Å; E119-F155 WeakPolarHBondContact O-CA 3.18Å; E119-K156 HydrophobicContact CB-CB 4.31Å; E119-K156 PolarHBondContact N-O 3.4Å; E119-K156 PolarHBondContact O-N 3.34Å
120	I	98.2	Very high	95.6	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	121.6	-175.8	-40.3	-60.9	0	0	0	108.8	L109 I111 I114 C118 L127 G128 T130 W139 L153 E154 F155	L109-I120 HydrophobicContact CD2-CG2 4.01Å; I111-I120 HydrophobicContact CD1-CG2 4.37Å; I114-I120 HydrophobicContact CD1-CD1 3.85Å; C118-I120 HydrophobicContact CB-CD1 3.97Å; I120-L127 HydrophobicContact CB-CB 4.29Å; I120-L127 HydrophobicContact CG2-CD1 4.06Å; I120-L127 PolarHBondContact O-N 2.85Å; I120-G128 PolarHBondContact N-O 2.94Å; I120-T130 HydrophobicContact CD1-CG2 4.23Å; I120-T130 HydrophobicContact CG1-CG2 4.24Å; I120-W139 HydrophobicContact CG1-CH2 3.89Å; I120-W139 HydrophobicContact CG1-CZ2 4.48Å; I120-W139 HydrophobicContact CG1-CZ3 4.44Å; I120-L153 HydrophobicContact CG2-CD1 4Å; I120-E154 WeakPolarHBondContact CA-O 3.46Å; I120-F155 HydrophobicContact CD1-CD1 3.28Å; I120-F155 HydrophobicContact CD1-CE1 3.59Å; I120-F155 HydrophobicContact CD1-CG 4.25Å; I120-F155 HydrophobicContact CG2-CE1 4.24Å
121	I	98.5	Very high	95.4	Very high	13 Å²	13	33.4 Å²	33.4	7%	0.067	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	132	-175.4	-54.1	171.8	0	0	0	109.1	E119 H125 L153 E154 K156	E119-I121 HydrophobicContact CG-CD1 4.31Å; E119-I121 HydrophobicContact CG-CG1 4.06Å; I121-H125 CarbonylContact C-O 3.46Å; I121-H125 VanDerWaalsContact CA-O 3.3Å; I121-H125 WeakPolarHBondContact CA-O 3.2Å; I121-L153 CarbonylContact O-C 3.49Å; I121-L153 WeakPolarHBondContact O-CA 3.32Å; I121-E154 HydrophobicContact CB-CB 4.29Å; I121-E154 PolarHBondContact N-O 2.89Å; I121-E154 PolarHBondContact O-N 2.98Å; I121-K156 HydrophobicContact CD1-CD 3.85Å
122	I	97.9	Very high	95.4	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	124.7	173.2	-167.9	169	0	0	0	110.4	F96 N124 H125 L127 I141 L144 L145 K152 L153	F96-I122 HydrophobicContact CZ-CD1 4.12Å; I122-N124 PolarHBondContact O-N 2.79Å; I122-N124 VanDerWaalsContact O-N 3.12Å; I122-H125 PolarHBondContact N-O 2.87Å; I122-H125 WeakPolarHBondContact O-CA 3.47Å; I122-H125 WeakPolarHBondContact O-CB 3.5Å; I122-H125 PolarHBondContact O-N 2.87Å; I122-L127 HydrophobicContact CB-CD1 4.39Å; I122-L127 HydrophobicContact CG2-CD1 3.95Å; I122-L127 HydrophobicContact CG2-CD2 3.8Å; I122-L127 HydrophobicContact CG2-CG 3.95Å; I122-I141 HydrophobicContact CD1-CB 4.22Å; I122-I141 HydrophobicContact CD1-CD1 3.85Å; I122-I141 HydrophobicContact CD1-CG2 4.33Å; I122-I141 HydrophobicContact CG2-CG2 4.49Å; I122-L144 HydrophobicContact CG2-CB 4.04Å; I122-L144 HydrophobicContact CG2-CD1 3.59Å; I122-L144 HydrophobicContact CG2-CG 4.46Å; I122-L145 HydrophobicContact CD1-CD2 3.62Å; I122-K152 CarbonylContact C-O 3.48Å; I122-K152 WeakPolarHBondContact CA-O 3.47Å; I122-L153 HydrophobicContact CB-CD1 4.43Å
123	N	96.9	Very high	95.5	Very high	32 Å²	32	32 Å²	32	17%	0.171	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	46	44.8	-177.8	-64.4	-22.7	0	0	0	113.1	H125 L144 N151 K152	N123-H125 PolarHBondContact O-CD2 2.83Å; N123-H125 PolarHBondContact O-N 2.98Å; N123-L144 PolarHBondContact ND2-O 2.81Å; N123-N151 PolarHBondContact ND2-OD1 2.71Å; N123-N151 WeakPolarHBondContact OD1-CA 3.37Å; N123-K152 PolarHBondContact N-O 2.94Å; N123-K152 PolarHBondContact OD1-N 2.98Å
124	N	95.7	Very high	95.7	Very high	135 Å²	135	32.1 Å²	32.1	72%	0.722	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.2	5.1	-175.9	-50.8	-41.3	0	0	0	116.5	I122	I122-N124 PolarHBondContact O-N 2.79Å; I122-N124 VanDerWaalsContact O-N 3.12Å
125	H	97.7	Very high	95.8	Very high	103 Å²	103	32.3 Å²	32.3	48%	0.477	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	121.8	171.2	-65.8	-88.9	0	0	0	110.8	I121 I122 N123 L144	I121-H125 CarbonylContact C-O 3.46Å; I121-H125 VanDerWaalsContact CA-O 3.3Å; I121-H125 WeakPolarHBondContact CA-O 3.2Å; I122-H125 PolarHBondContact N-O 2.87Å; I122-H125 WeakPolarHBondContact O-CA 3.47Å; I122-H125 WeakPolarHBondContact O-CB 3.5Å; I122-H125 PolarHBondContact O-N 2.87Å; N123-H125 PolarHBondContact O-CD2 2.83Å; N123-H125 PolarHBondContact O-N 2.98Å; H125-L144 HydrophobicContact CB-CD1 4.15Å; H125-L144 HydrophobicContact CB-CD2 4.11Å
126	S	97.8	Very high	96	Very high	70 Å²	70	33.7 Å²	33.7	49%	0.49	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	124.9	174.3	-168.1	0	0	0	0	109.9	E119	E119-S126 PolarHBondContact OE1-OG 2.9Å
127	L	97.4	Very high	96.6	Very high	30 Å²	30	35.2 Å²	35.2	16%	0.157	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	-29.4	178.3	-61.9	-178.2	0	0	0	111.9	L109 I120 I122 W139 I141 L144	L109-L127 HydrophobicContact CD2-CD1 3.75Å; I120-L127 HydrophobicContact CB-CB 4.29Å; I120-L127 HydrophobicContact CG2-CD1 4.06Å; I120-L127 PolarHBondContact O-N 2.85Å; I122-L127 HydrophobicContact CB-CD1 4.39Å; I122-L127 HydrophobicContact CG2-CD1 3.95Å; I122-L127 HydrophobicContact CG2-CD2 3.8Å; I122-L127 HydrophobicContact CG2-CG 3.95Å; L127-W139 HydrophobicContact CB-CD2 4.1Å; L127-W139 HydrophobicContact CB-CG 4.03Å; L127-W139 HydrophobicContact CD1-CB 4.18Å; L127-W139 HydrophobicContact CD1-CD2 4.33Å; L127-W139 HydrophobicContact CD1-CG 4.21Å; L127-W139 HydrophobicContact CD2-CB 4.47Å; L127-W139 PolarHBondContact O-NE1 2.89Å; L127-I141 HydrophobicContact CD1-CG2 3.98Å; L127-I141 HydrophobicContact CD2-CG2 4.27Å; L127-L144 HydrophobicContact CD2-CD1 3.59Å
128	G	96	Very high	96.5	Very high	24 Å²	24	37.1 Å²	37.1	25%	0.247	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	151.2	-174.2	-178.2	0	0	0	0	0	112.7	I120	I120-G128 PolarHBondContact N-O 2.94Å
129	V	95.7	Very high	96.4	Very high	96 Å²	96	39.5 Å²	39.5	58%	0.582	22%	0.215	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-124.2	134.9	178.7	-177.6	0	0	0	0	109	C118 E119	C118-V129 WeakPolarHBondContact O-CA 3.45Å; E119-V129 HydrophobicContact CB-CG2 4.21Å; E119-V129 HydrophobicContact CG-CG2 4.27Å
130	T	95.9	Very high	96.2	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.211	C	C	.	.			trans	-88.3	149.5	175.6	54.7	0	0	0	0	110.6	I114 T116 F117 C118 I120 Y137 W139	I114-T130 HydrophobicContact CD1-CG2 4.34Å; I114-T130 HydrophobicContact CG2-CG2 3.97Å; T116-T130 CarbonylContact O-C 3.59Å; T116-T130 VanDerWaalsContact O-CB 3.27Å; T116-T130 WeakPolarHBondContact O-CB 3.11Å; T116-T130 PolarHBondContact O-OG1 2.98Å; F117-T130 WeakPolarHBondContact CA-O 3.49Å; C118-T130 PolarHBondContact N-OG1 2.92Å; C118-T130 VanDerWaalsContact N-OG1 3.14Å; C118-T130 PolarHBondContact O-N 2.59Å; C118-T130 PolarHBondContact O-OG1 2.9Å; I120-T130 HydrophobicContact CD1-CG2 4.23Å; I120-T130 HydrophobicContact CG1-CG2 4.24Å; T130-Y137 HydrophobicContact CG2-CD1 4.05Å; T130-Y137 HydrophobicContact CG2-CD2 3.59Å; T130-Y137 HydrophobicContact CG2-CE1 3.99Å; T130-Y137 HydrophobicContact CG2-CE2 3.51Å; T130-Y137 HydrophobicContact CG2-CG 3.86Å; T130-W139 HydrophobicContact CG2-CH2 4.23Å
131	E	93.1	Very high	96.1	Very high	80 Å²	80	38.7 Å²	38.7	37%	0.374	21%	0.211	S	C	.	.			trans	-144.2	-8.9	-177.3	61.9	160.1	-141.3	0	0	115.5	F117 Y137 T464	F117-E131 HydrophobicContact CD1-CB 4.06Å; F117-E131 HydrophobicContact CE1-CB 3.77Å; E131-Y137 PolarHBondContact N-OH 3.45Å; E131-Y137 VanDerWaalsContact N-OH 3.15Å; E131-T464 HydrophobicContact CG-CG2 4.49Å; E131-T464 WeakPolarHBondContact OE1-CG2 3.31Å; E131-T464 PolarHBondContact OE1-OG1 3.27Å; E131-T464 VanDerWaalsContact OE1-OG1 3.11Å
132	N	95.9	Very high	95.7	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-136.4	117.2	179.9	-174.6	-21.7	0	0	0	109.2	F134 L135 Y137 R198 E468	N132-F134 PolarHBondContact O-N 2.91Å; N132-F134 WeakPolarHBondContact OD1-CB 3.36Å; N132-F134 WeakPolarHBondContact OD1-CD2 3.42Å; N132-F134 PolarHBondContact OD1-N 2.83Å; N132-L135 HydrophobicContact CB-CD1 4.07Å; N132-L135 HydrophobicContact CB-CG 4.17Å; N132-L135 PolarHBondContact O-N 2.8Å; N132-Y137 PolarHBondContact N-OH 2.83Å; N132-Y137 VanDerWaalsContact N-OH 3.16Å; N132-Y137 PolarHBondContact O-OH 2.8Å; N132-R198 HydrophobicContact CB-CB 3.92Å; N132-R198 WeakPolarHBondContact OD1-CB 3.22Å; N132-E468 PolarHBondContact ND2-OE2 2.86Å; N132-E468 PolarHBondContact OD1-OE2 3.2Å
133	S	95.8	Very high	95.4	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.007	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-13.6	-176.1	-56.8	0	0	0	0	114.5	I114 D115 T116 R198 T199 W218	I114-S133 WeakPolarHBondContact O-CA 3.35Å; I114-S133 VanDerWaalsContact O-CB 3.26Å; I114-S133 WeakPolarHBondContact O-CB 3.08Å; I114-S133 PolarHBondContact O-OG 2.82Å; D115-S133 WeakPolarHBondContact CA-OG 3.44Å; T116-S133 WeakPolarHBondContact CB-OG 3.35Å; T116-S133 PolarHBondContact OG1-N 2.62Å; T116-S133 PolarHBondContact OG1-OG 2.73Å; S133-R198 PolarHBondContact N-O 3.11Å; S133-T199 PolarHBondContact OG-OG1 3.02Å; S133-W218 VanDerWaalsContact CB-CZ2 3.42Å; S133-W218 WeakPolarHBondContact O-CZ3 3.44Å
134	F	96.6	Very high	95.2	Very high	4 Å²	4	46.2 Å²	46.2	2%	0.018	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	3.4	-178.4	-53.2	-56.9	0	0	0	112.8	N132 T199 W218 R428 Y429 M450 E468 R471 Q472	N132-F134 PolarHBondContact O-N 2.91Å; N132-F134 WeakPolarHBondContact OD1-CB 3.36Å; N132-F134 WeakPolarHBondContact OD1-CD2 3.42Å; N132-F134 PolarHBondContact OD1-N 2.83Å; F134-T199 WeakPolarHBondContact CE2-O 3.38Å; F134-T199 VanDerWaalsContact CZ-O 3.32Å; F134-T199 WeakPolarHBondContact CZ-O 3.35Å; F134-W218 HydrophobicContact CD1-CH2 4.01Å; F134-W218 HydrophobicContact CD1-CZ3 4.24Å; F134-W218 AromaticContact CE1-CH2 3.9Å; F134-W218 HydrophobicContact CE1-CH2 3.9Å; F134-W218 HydrophobicContact CE1-CZ3 4.44Å; F134-R428 HydrophobicContact CE1-CB 3.92Å; F134-Y429 HydrophobicContact CB-CD2 3.94Å; F134-Y429 HydrophobicContact CB-CE2 3.83Å; F134-Y429 AromaticContact CD1-CD2 3.6Å; F134-Y429 HydrophobicContact CD1-CD2 3.6Å; F134-Y429 AromaticContact CD1-CE2 3.94Å; F134-Y429 HydrophobicContact CD1-CE2 3.94Å; F134-Y429 HydrophobicContact CD2-CE2 4.3Å; F134-Y429 HydrophobicContact CE1-CD2 4.24Å; F134-Y429 AromaticContact CG-CD2 3.87Å; F134-Y429 HydrophobicContact CG-CD2 3.87Å; F134-Y429 AromaticContact CG-CE2 3.77Å; F134-Y429 HydrophobicContact CG-CE2 3.77Å; F134-M450 HydrophobicContact CD1-CG 4.43Å; F134-M450 HydrophobicContact CD2-CB 4.39Å; F134-M450 HydrophobicContact CE1-CB 4.33Å; F134-M450 HydrophobicContact CE1-CG 3.96Å; F134-M450 HydrophobicContact CE2-CB 3.69Å; F134-M450 HydrophobicContact CE2-CG 4.16Å; F134-M450 HydrophobicContact CZ-CB 3.63Å; F134-M450 HydrophobicContact CZ-CG 3.77Å; F134-E468 HydrophobicContact CB-CG 3.68Å; F134-E468 HydrophobicContact CD2-CG 4.45Å; F134-E468 WeakPolarHBondContact CD2-OE1 3.43Å; F134-E468 HydrophobicContact CG-CG 4.47Å; F134-R471 PolarHBondContact O-NH1 3.33Å; F134-Q472 PolarHBondContact O-NE2 3.26Å
135	L	96.3	Very high	95	Very high	4 Å²	4	40.9 Å²	40.9	2%	0.021	22%	0.22	C	C	.	.	S	Bend	trans	-100.2	151.4	172.5	-69.8	-178.8	0	0	0	112.2	N132 Y137 T464 E467 E468 R471	N132-L135 HydrophobicContact CB-CD1 4.07Å; N132-L135 HydrophobicContact CB-CG 4.17Å; N132-L135 PolarHBondContact O-N 2.8Å; L135-Y137 HydrophobicContact CB-CE2 4.18Å; L135-T464 HydrophobicContact CD1-CG2 4.11Å; L135-E467 HydrophobicContact CD1-CG 4.31Å; L135-E467 HydrophobicContact CD2-CB 4.31Å; L135-E467 HydrophobicContact CD2-CG 3.87Å; L135-E468 HydrophobicContact CD2-CB 4.25Å; L135-R471 HydrophobicContact CD2-CB 4.49Å
136	S	95.7	Very high	94.6	Very high	29 Å²	29	38.2 Å²	38.2	20%	0.203	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	145.4	164	53.2	0	0	0	0	108.8	I111 E234 R471	I111-S136 CarbonylContact O-C 3.51Å; I111-S136 VanDerWaalsContact O-CA 3.26Å; I111-S136 WeakPolarHBondContact O-CA 3.38Å; S136-E234 WeakPolarHBondContact CB-OE1 3.45Å; S136-E234 PolarHBondContact OG-OE1 3.39Å; S136-R471 VanDerWaalsContact N-CZ 3.28Å; S136-R471 VanDerWaalsContact N-NH1 3.11Å; S136-R471 PolarHBondContact OG-NE 3.16Å
137	Y	95.7	Very high	93.7	Very high	33 Å²	33	38.6 Å²	38.6	13%	0.129	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	133.3	175.3	-57.9	-89.4	0	0	0	110.1	I111 I114 T130 E131 N132 L135 W139	I111-Y137 PolarHBondContact N-O 2.84Å; I111-Y137 PolarHBondContact O-N 3.48Å; I114-Y137 HydrophobicContact CG2-CD2 3.93Å; I114-Y137 HydrophobicContact CG2-CE2 3.82Å; T130-Y137 HydrophobicContact CG2-CD1 4.05Å; T130-Y137 HydrophobicContact CG2-CD2 3.59Å; T130-Y137 HydrophobicContact CG2-CE1 3.99Å; T130-Y137 HydrophobicContact CG2-CE2 3.51Å; T130-Y137 HydrophobicContact CG2-CG 3.86Å; E131-Y137 PolarHBondContact N-OH 3.45Å; E131-Y137 VanDerWaalsContact N-OH 3.15Å; N132-Y137 PolarHBondContact N-OH 2.83Å; N132-Y137 VanDerWaalsContact N-OH 3.16Å; N132-Y137 PolarHBondContact O-OH 2.8Å; L135-Y137 HydrophobicContact CB-CE2 4.18Å; Y137-W139 HydrophobicContact CD1-CH2 4.11Å; Y137-W139 HydrophobicContact CD1-CZ2 4.38Å; Y137-W139 AromaticContact CG-CH2 3.84Å; Y137-W139 HydrophobicContact CG-CH2 3.84Å; Y137-W139 HydrophobicContact CG-CZ3 4.3Å
138	T	95.5	Very high	92.8	Very high	57 Å²	57	44.8 Å²	44.8	35%	0.35	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	129.7	-179.4	-55.8	0	0	0	0	110.5	E108 L109 Y110	E108-T138 HydrophobicContact CB-CG2 3.99Å; E108-T138 HydrophobicContact CG-CG2 4.3Å; L109-T138 CarbonylContact O-C 3.53Å; L109-T138 VanDerWaalsContact O-CA 3.28Å; L109-T138 WeakPolarHBondContact O-CA 3.46Å; Y110-T138 WeakPolarHBondContact CD2-OG1 3.34Å
139	W	95.3	Very high	92.4	Very high	49 Å²	49	49.5 Å²	49.5	19%	0.186	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	135.2	174.5	-64.4	-91.4	0	0	0	111	E108 L109 I111 I120 L127 T130 Y137 I141	E108-W139 CarbonylContact C-O 3.58Å; E108-W139 WeakPolarHBondContact CA-O 3.28Å; L109-W139 HydrophobicContact CD2-CE3 4.41Å; L109-W139 PolarHBondContact N-O 2.82Å; L109-W139 PolarHBondContact O-N 3.2Å; I111-W139 HydrophobicContact CD1-CE3 4.45Å; I111-W139 HydrophobicContact CD1-CZ3 3.71Å; I120-W139 HydrophobicContact CG1-CH2 3.89Å; I120-W139 HydrophobicContact CG1-CZ2 4.48Å; I120-W139 HydrophobicContact CG1-CZ3 4.44Å; L127-W139 HydrophobicContact CB-CD2 4.1Å; L127-W139 HydrophobicContact CB-CG 4.03Å; L127-W139 HydrophobicContact CD1-CB 4.18Å; L127-W139 HydrophobicContact CD1-CD2 4.33Å; L127-W139 HydrophobicContact CD1-CG 4.21Å; L127-W139 HydrophobicContact CD2-CB 4.47Å; L127-W139 PolarHBondContact O-NE1 2.89Å; T130-W139 HydrophobicContact CG2-CH2 4.23Å; Y137-W139 HydrophobicContact CD1-CH2 4.11Å; Y137-W139 HydrophobicContact CD1-CZ2 4.38Å; Y137-W139 AromaticContact CG-CH2 3.84Å; Y137-W139 HydrophobicContact CG-CH2 3.84Å; Y137-W139 HydrophobicContact CG-CZ3 4.3Å; W139-I141 HydrophobicContact CB-CG2 4.17Å; W139-I141 PolarHBondContact O-N 2.96Å
140	K	93.4	Very high	92.3	Very high	53 Å²	53	48 Å²	48	23%	0.23	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	115.7	167.6	-179.3	179	-178.1	170.1	0	109	T106 H143 N261 L263	T106-K140 HydrophobicContact CG2-CD 4.26Å; T106-K140 HydrophobicContact CG2-CG 4.14Å; K140-H143 PolarHBondContact O-CE1 2.92Å; K140-H143 VanDerWaalsContact O-CE1 3.23Å; K140-N261 HydrophobicContact CD-CB 4.38Å; K140-N261 PolarHBondContact NZ-O 3.49Å; K140-L263 VanDerWaalsContact NZ-CD2 3.35Å
141	I	94.5	Very high	92.3	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.248	C	C	.	.			trans	-114.8	1.1	-173.4	58.3	168.1	0	0	0	113.3	I107 L109 I122 L127 W139 H143 L144 L145 L223	I107-I141 HydrophobicContact CG2-CD1 4.12Å; I107-I141 HydrophobicContact CG2-CG1 4.05Å; I107-I141 WeakPolarHBondContact O-CG1 3.49Å; I107-I141 PolarHBondContact O-N 2.82Å; L109-I141 HydrophobicContact CB-CD1 3.89Å; L109-I141 HydrophobicContact CB-CG1 4.4Å; L109-I141 HydrophobicContact CB-CG2 3.89Å; I122-I141 HydrophobicContact CD1-CB 4.22Å; I122-I141 HydrophobicContact CD1-CD1 3.85Å; I122-I141 HydrophobicContact CD1-CG2 4.33Å; I122-I141 HydrophobicContact CG2-CG2 4.49Å; L127-I141 HydrophobicContact CD1-CG2 3.98Å; L127-I141 HydrophobicContact CD2-CG2 4.27Å; W139-I141 HydrophobicContact CB-CG2 4.17Å; W139-I141 PolarHBondContact O-N 2.96Å; I141-H143 PolarHBondContact O-N 2.86Å; I141-L144 PolarHBondContact O-N 2.82Å; I141-L145 HydrophobicContact CD1-CD1 3.98Å; I141-L145 HydrophobicContact CD1-CD2 4.14Å; I141-L145 HydrophobicContact CD1-CG 4.34Å; I141-L145 HydrophobicContact CG1-CD1 3.99Å; I141-L145 HydrophobicContact CG1-CG 4.41Å; I141-L145 WeakPolarHBondContact O-CG 3.18Å; I141-L145 PolarHBondContact O-N 2.85Å; I141-L223 HydrophobicContact CD1-CD2 3.77Å
142	S	91.1	Very high	92.5	Very high	38 Å²	38	46.8 Å²	46.8	27%	0.266	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-54.9	-35.8	-171.2	-32.7	0	0	0	0	113.4	I107 L144	I107-S142 PolarHBondContact N-OG 3.33Å; I107-S142 PolarHBondContact O-N 2.91Å; I107-S142 PolarHBondContact O-OG 2.79Å; S142-L144 VanDerWaalsContact C-N 3.31Å
143	H	90.6	Very high	92.6	Very high	140 Å²	140	46.8 Å²	46.8	65%	0.648	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-80.3	-8.9	-179.4	63.2	-78.8	0	0	0	114.1	K140 I141	K140-H143 PolarHBondContact O-CE1 2.92Å; K140-H143 VanDerWaalsContact O-CE1 3.23Å; I141-H143 PolarHBondContact O-N 2.86Å
144	L	93.6	Very high	92.7	Very high	25 Å²	25	47.5 Å²	47.5	13%	0.131	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-103.7	-6.8	-179	-56.4	176.7	0	0	0	112.4	I122 N123 H125 L127 I141 S142	I122-L144 HydrophobicContact CG2-CB 4.04Å; I122-L144 HydrophobicContact CG2-CD1 3.59Å; I122-L144 HydrophobicContact CG2-CG 4.46Å; N123-L144 PolarHBondContact ND2-O 2.81Å; H125-L144 HydrophobicContact CB-CD1 4.15Å; H125-L144 HydrophobicContact CB-CD2 4.11Å; L127-L144 HydrophobicContact CD2-CD1 3.59Å; I141-L144 PolarHBondContact O-N 2.82Å; S142-L144 VanDerWaalsContact C-N 3.31Å
145	L	92	Very high	92.8	Very high	22 Å²	22	47.3 Å²	47.3	12%	0.115	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-91.8	134.3	-174.3	-65.2	167.3	0	0	0	111.4	F96 I98 I107 I122 I141 N151	F96-L145 HydrophobicContact CE2-CD2 3.97Å; F96-L145 HydrophobicContact CZ-CD2 3.89Å; I98-L145 HydrophobicContact CD1-CD1 4.32Å; I98-L145 HydrophobicContact CG1-CD1 4.08Å; I98-L145 HydrophobicContact CG1-CD2 4.47Å; I107-L145 HydrophobicContact CB-CD1 4.1Å; I107-L145 HydrophobicContact CD1-CD1 3.89Å; I107-L145 HydrophobicContact CG2-CD1 3.83Å; I122-L145 HydrophobicContact CD1-CD2 3.62Å; I141-L145 HydrophobicContact CD1-CD1 3.98Å; I141-L145 HydrophobicContact CD1-CD2 4.14Å; I141-L145 HydrophobicContact CD1-CG 4.34Å; I141-L145 HydrophobicContact CG1-CD1 3.99Å; I141-L145 HydrophobicContact CG1-CG 4.41Å; I141-L145 WeakPolarHBondContact O-CG 3.18Å; I141-L145 PolarHBondContact O-N 2.85Å; L145-N151 VanDerWaalsContact CA-OD1 3.3Å; L145-N151 WeakPolarHBondContact CA-OD1 3.42Å; L145-N151 HydrophobicContact CD2-CB 4.07Å; L145-N151 WeakPolarHBondContact CD2-OD1 3.31Å
146	S	88.3	Confident	92.8	Very high	48 Å²	48	51.2 Å²	51.2	34%	0.336	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-86.6	123.7	167.9	-62.5	0	0	0	0	109.9	N151	S146-N151 PolarHBondContact N-OD1 2.84Å; S146-N151 PolarHBondContact O-ND2 2.79Å
147	L	80	Confident	92.9	Very high	78 Å²	78	49.9 Å²	49.9	41%	0.408	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	141.7	178.9	-64.1	168.6	0	0	0	111.1	I98 L103 Q149	I98-L147 HydrophobicContact CG2-CD2 4.48Å; L103-L147 HydrophobicContact CD2-CD1 3.37Å; L103-L147 HydrophobicContact CD2-CD2 4.24Å; L103-L147 HydrophobicContact CD2-CG 4.45Å; L147-Q149 PolarHBondContact O-N 2.87Å
148	K	77.5	Confident	92.9	Very high	159 Å²	159	50.8 Å²	50.8	69%	0.691	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	4.1	-179.3	-54	-174.6	-177.2	-177.9	0	115.7
149	Q	87	Confident	93	Very high	123 Å²	123	48 Å²	48	58%	0.575	24%	0.244	S	C	*	.	S	Bend	trans	-111.4	160.4	177.4	-65.7	-180	-2.6	0	0	110.2	L147 N151	L147-Q149 PolarHBondContact O-N 2.87Å; Q149-N151 PolarHBondContact O-N 2.83Å; Q149-N151 PolarHBondContact O-ND2 3.43Å
150	A	93.6	Very high	93	Very high	64 Å²	64	45.8 Å²	45.8	53%	0.529	24%	0.236	S	C	.	.	P	Polyproline II helix	trans	-69.7	118.7	173.1	0	0	0	0	0	109.5	F95	F95-A150 HydrophobicContact CD1-CB 4.4Å
151	N	96.5	Very high	93.2	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	136.1	170.7	-66.8	-85.9	0	0	0	108.7	F95 F96 N123 L145 S146 Q149	F95-N151 VanDerWaalsContact CA-O 3.29Å; F95-N151 WeakPolarHBondContact CA-O 3.47Å; F96-N151 HydrophobicContact CD1-CB 4.35Å; F96-N151 HydrophobicContact CD2-CB 4.38Å; F96-N151 HydrophobicContact CE1-CB 3.94Å; F96-N151 HydrophobicContact CE2-CB 3.99Å; F96-N151 HydrophobicContact CZ-CB 3.77Å; F96-N151 PolarHBondContact N-O 2.81Å; F96-N151 WeakPolarHBondContact O-CB 3.45Å; F96-N151 PolarHBondContact O-N 2.98Å; N123-N151 PolarHBondContact ND2-OD1 2.71Å; N123-N151 WeakPolarHBondContact OD1-CA 3.37Å; L145-N151 VanDerWaalsContact CA-OD1 3.3Å; L145-N151 WeakPolarHBondContact CA-OD1 3.42Å; L145-N151 HydrophobicContact CD2-CB 4.07Å; L145-N151 WeakPolarHBondContact CD2-OD1 3.31Å; S146-N151 PolarHBondContact N-OD1 2.84Å; S146-N151 PolarHBondContact O-ND2 2.79Å; Q149-N151 PolarHBondContact O-N 2.83Å; Q149-N151 PolarHBondContact O-ND2 3.43Å
152	K	97.8	Very high	93.3	Very high	55 Å²	55	46.9 Å²	46.9	24%	0.239	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	120.5	179.8	-171	-171.8	-176.5	-152.3	0	109.3	I93 F95 I122 N123 E154	I93-K152 HydrophobicContact CG2-CD 4.46Å; I93-K152 HydrophobicContact CG2-CG 3.9Å; F95-K152 HydrophobicContact CD1-CB 4.04Å; F95-K152 HydrophobicContact CD1-CG 4.19Å; F95-K152 HydrophobicContact CE1-CB 3.73Å; F95-K152 HydrophobicContact CE1-CD 4.01Å; F95-K152 HydrophobicContact CE1-CG 3.61Å; F95-K152 HydrophobicContact CZ-CD 4.09Å; F95-K152 HydrophobicContact CZ-CG 3.9Å; I122-K152 CarbonylContact C-O 3.48Å; I122-K152 WeakPolarHBondContact CA-O 3.47Å; N123-K152 PolarHBondContact N-O 2.94Å; N123-K152 PolarHBondContact OD1-N 2.98Å; K152-E154 HydrophobicContact CD-CG 4.12Å; K152-E154 WeakPolarHBondContact CD-OE2 3.3Å; K152-E154 WeakPolarHBondContact CE-OE1 3.2Å; K152-E154 WeakPolarHBondContact CE-OE2 3.4Å; K152-E154 HydrophobicContact CG-CG 4.01Å; K152-E154 IonicContact NZ-OE1 2.73Å; K152-E154 PolarHBondContact NZ-OE1 3.28Å; K152-E154 IonicContact NZ-OE2 3.72Å; K152-E154 PolarHBondContact NZ-OE2 2.77Å
153	L	98.2	Very high	93.6	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	130.5	171.1	172.9	67.1	0	0	0	109.1	L36 I93 K94 F96 L109 I120 I121 I122 F155 P221	L36-L153 HydrophobicContact CD1-CD2 3.65Å; I93-L153 CarbonylContact C-O 3.59Å; I93-L153 WeakPolarHBondContact CA-O 3.41Å; K94-L153 HydrophobicContact CB-CB 4.48Å; K94-L153 PolarHBondContact N-O 2.94Å; K94-L153 PolarHBondContact O-N 2.8Å; F96-L153 HydrophobicContact CE1-CB 3.84Å; L109-L153 HydrophobicContact CD1-CD2 3.9Å; L109-L153 HydrophobicContact CD2-CD1 3.7Å; L109-L153 HydrophobicContact CD2-CD2 4.31Å; I120-L153 HydrophobicContact CG2-CD1 4Å; I121-L153 CarbonylContact O-C 3.49Å; I121-L153 WeakPolarHBondContact O-CA 3.32Å; I122-L153 HydrophobicContact CB-CD1 4.43Å; L153-F155 HydrophobicContact CD1-CE2 4.09Å; L153-F155 HydrophobicContact CD1-CZ 4.27Å; L153-F155 HydrophobicContact CD2-CE2 3.52Å; L153-F155 HydrophobicContact CD2-CZ 3.82Å; L153-F155 HydrophobicContact CG-CD2 4.29Å; L153-F155 HydrophobicContact CG-CE2 3.51Å; L153-F155 HydrophobicContact CG-CZ 4.07Å; L153-P221 HydrophobicContact CD2-CB 4.48Å
154	E	98	Very high	93.9	Very high	16 Å²	16	40 Å²	40	8%	0.075	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	138.7	-177.1	-53.6	-178.9	80.5	0	0	110.7	F92 I93 I120 I121 K152	F92-E154 CarbonylContact O-C 3.6Å; F92-E154 WeakPolarHBondContact O-CA 3.5Å; I93-E154 HydrophobicContact CG1-CG 4.12Å; I93-E154 HydrophobicContact CG2-CG 4.16Å; I120-E154 WeakPolarHBondContact CA-O 3.46Å; I121-E154 HydrophobicContact CB-CB 4.29Å; I121-E154 PolarHBondContact N-O 2.89Å; I121-E154 PolarHBondContact O-N 2.98Å; K152-E154 HydrophobicContact CD-CG 4.12Å; K152-E154 WeakPolarHBondContact CD-OE2 3.3Å; K152-E154 WeakPolarHBondContact CE-OE1 3.2Å; K152-E154 WeakPolarHBondContact CE-OE2 3.4Å; K152-E154 HydrophobicContact CG-CG 4.01Å; K152-E154 IonicContact NZ-OE1 2.73Å; K152-E154 PolarHBondContact NZ-OE1 3.28Å; K152-E154 IonicContact NZ-OE2 3.72Å; K152-E154 PolarHBondContact NZ-OE2 2.77Å
155	F	97.8	Very high	94.1	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	101.1	173.3	-62.9	-102.1	0	0	0	107.6	W40 T91 F92 I111 I114 E119 I120 L153 C157 L217 P221	W40-F155 HydrophobicContact CH2-CD2 4.32Å; W40-F155 AromaticContact CH2-CE2 3.74Å; W40-F155 HydrophobicContact CH2-CE2 3.74Å; W40-F155 AromaticContact CZ3-CD2 3.89Å; W40-F155 HydrophobicContact CZ3-CD2 3.89Å; W40-F155 AromaticContact CZ3-CE2 3.79Å; W40-F155 HydrophobicContact CZ3-CE2 3.79Å; T91-F155 CarbonylContact C-O 3.46Å; T91-F155 VanDerWaalsContact CA-O 3.23Å; T91-F155 WeakPolarHBondContact CA-O 3.45Å; F92-F155 HydrophobicContact CB-CB 4.17Å; F92-F155 HydrophobicContact CB-CD2 4.48Å; F92-F155 HydrophobicContact CD2-CB 4.34Å; F92-F155 PolarHBondContact N-O 2.85Å; F92-F155 PolarHBondContact O-N 2.86Å; I111-F155 HydrophobicContact CD1-CE1 3.52Å; I111-F155 HydrophobicContact CD1-CZ 3.79Å; I111-F155 HydrophobicContact CG1-CE1 4.23Å; I111-F155 HydrophobicContact CG1-CZ 4.34Å; I114-F155 HydrophobicContact CD1-CD1 3.58Å; I114-F155 HydrophobicContact CD1-CE1 3.9Å; E119-F155 WeakPolarHBondContact O-CA 3.18Å; I120-F155 HydrophobicContact CD1-CD1 3.28Å; I120-F155 HydrophobicContact CD1-CE1 3.59Å; I120-F155 HydrophobicContact CD1-CG 4.25Å; I120-F155 HydrophobicContact CG2-CE1 4.24Å; L153-F155 HydrophobicContact CD1-CE2 4.09Å; L153-F155 HydrophobicContact CD1-CZ 4.27Å; L153-F155 HydrophobicContact CD2-CE2 3.52Å; L153-F155 HydrophobicContact CD2-CZ 3.82Å; L153-F155 HydrophobicContact CG-CD2 4.29Å; L153-F155 HydrophobicContact CG-CE2 3.51Å; L153-F155 HydrophobicContact CG-CZ 4.07Å; F155-C157 PolarHBondContact O-N 2.99Å; F155-L217 HydrophobicContact CD1-CD2 3.98Å; F155-L217 HydrophobicContact CE1-CD2 3.82Å; F155-L217 HydrophobicContact CZ-CD2 4.24Å; F155-P221 HydrophobicContact CE1-CG 4.13Å; F155-P221 HydrophobicContact CE2-CG 3.88Å; F155-P221 HydrophobicContact CZ-CB 4.15Å; F155-P221 HydrophobicContact CZ-CG 3.32Å
156	K	97.3	Very high	94.4	Very high	86 Å²	86	49 Å²	49	37%	0.374	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	94.2	177.2	-65.4	179.2	-179.1	171.5	0	109	T91 C118 E119 I121	T91-K156 HydrophobicContact CG2-CG 3.92Å; C118-K156 WeakPolarHBondContact CA-O 3.18Å; E119-K156 HydrophobicContact CB-CB 4.31Å; E119-K156 PolarHBondContact N-O 3.4Å; E119-K156 PolarHBondContact O-N 3.34Å; I121-K156 HydrophobicContact CD1-CD 3.85Å
157	C	96.9	Very high	94.7	Very high	2 Å²	2	50 Å²	50	1%	0.014	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	125.2	-174.6	-57.4	0	0	0	0	111.8	N89 W90 F92 F117 C118 F155 Q215	N89-C157 WeakPolarHBondContact CA-O 3.47Å; W90-C157 PolarHBondContact N-O 2.81Å; W90-C157 WeakPolarHBondContact O-CA 3.37Å; W90-C157 WeakPolarHBondContact O-CB 3.34Å; W90-C157 PolarHBondContact O-N 3.05Å; F92-C157 HydrophobicContact CE2-CB 4.46Å; F117-C157 CarbonylContact O-C 3.55Å; F117-C157 WeakPolarHBondContact O-CA 3.4Å; C118-C157 HydrophobicContact CB-CB 4.1Å; C118-C157 WeakPolarHBondContact CB-SG 3.29Å; C118-C157 WeakPolarHBondContact SG-CB 3.3Å; C118-C157 CovalentContact SG-SG 2.04Å; C118-C157 PolarHBondContact SG-SG 2.98Å; F155-C157 PolarHBondContact O-N 2.99Å; C157-Q215 HydrophobicContact CB-CB 4.14Å
158	T	96.6	Very high	95.6	Very high	51 Å²	51	46.5 Å²	46.5	31%	0.313	23%	0.226	S	C	.	.	P	Polyproline II helix	trans	-86.6	144.7	173.3	-54.3	0	0	0	0	109.9	N89 F117 T160 I163	N89-T158 WeakPolarHBondContact OD1-CA 3.31Å; F117-T158 PolarHBondContact O-N 3.03Å; T158-T160 PolarHBondContact O-N 3.14Å; T158-I163 HydrophobicContact CG2-CD1 3.8Å; T158-I163 HydrophobicContact CG2-CG1 3.85Å
159	S	96.6	Very high	96.5	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-51.4	120.3	175.1	166.7	0	0	0	0	112.4	A86 N89 V161 L162 I163	A86-S159 VanDerWaalsContact O-CB 3.24Å; A86-S159 WeakPolarHBondContact O-CB 3.42Å; A86-S159 PolarHBondContact O-OG 2.87Å; N89-S159 PolarHBondContact OD1-N 3.24Å; S159-V161 PolarHBondContact O-N 3.21Å; S159-V161 PolarHBondContact OG-N 3.09Å; S159-L162 PolarHBondContact O-N 3.3Å; S159-L162 WeakPolarHBondContact OG-CG 3.46Å; S159-L162 PolarHBondContact OG-N 2.62Å; S159-I163 WeakPolarHBondContact O-CG1 3.14Å; S159-I163 PolarHBondContact O-N 3.38Å
160	T	95.9	Very high	97	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.006	21%	0.207	C	C	.	.	H	α-helix	trans	-59	-37.4	176.6	-51.4	0	0	0	0	111.4	T116 F117 T158 I163 A164 I197 T199 F204	T116-T160 HydrophobicContact CG2-CG2 3.99Å; F117-T160 HydrophobicContact CD2-CG2 4.41Å; F117-T160 HydrophobicContact CE2-CG2 4.09Å; T158-T160 PolarHBondContact O-N 3.14Å; T160-I163 PolarHBondContact O-N 3.09Å; T160-A164 WeakPolarHBondContact O-CB 3.36Å; T160-A164 PolarHBondContact O-N 3.21Å; T160-I197 HydrophobicContact CG2-CG2 3.82Å; T160-T199 HydrophobicContact CG2-CG2 4.37Å; T160-F204 HydrophobicContact CG2-CE2 3.95Å; T160-F204 HydrophobicContact CG2-CZ 3.86Å
161	V	96.9	Very high	97	Very high	7 Å²	7	39.5 Å²	39.5	4%	0.042	19%	0.188	C	C	.	.	H	α-helix	trans	-64.7	-45.1	176.8	-176.1	0	0	0	0	111.4	A86 Y87 S159 I163 A164 K165 E191 F204 P213	A86-V161 HydrophobicContact CB-CG2 4.13Å; Y87-V161 HydrophobicContact CE1-CG1 3.85Å; Y87-V161 HydrophobicContact CE2-CG1 4.03Å; S159-V161 PolarHBondContact O-N 3.21Å; S159-V161 PolarHBondContact OG-N 3.09Å; V161-I163 PolarHBondContact O-N 3Å; V161-A164 PolarHBondContact O-N 3.4Å; V161-K165 PolarHBondContact O-N 3.49Å; V161-E191 HydrophobicContact CG1-CB 4.29Å; V161-E191 HydrophobicContact CG1-CG 4.23Å; V161-E191 HydrophobicContact CG2-CB 4.37Å; V161-E191 HydrophobicContact CG2-CG 3.98Å; V161-F204 HydrophobicContact CG2-CE1 4.1Å; V161-F204 HydrophobicContact CG2-CZ 3.89Å; V161-P213 HydrophobicContact CG2-CB 3.57Å; V161-P213 HydrophobicContact CG2-CG 3.64Å
162	L	97.3	Very high	96.9	Very high	70 Å²	70	47.3 Å²	47.3	37%	0.366	22%	0.221	S	C	.	.	H	α-helix	trans	-66.4	-37.5	177.8	-64.6	-177.2	0	0	0	112	Y87 S159 K166	Y87-L162 HydrophobicContact CD1-CD2 3.89Å; Y87-L162 HydrophobicContact CD1-CG 4.46Å; Y87-L162 HydrophobicContact CE1-CD2 4.22Å; S159-L162 PolarHBondContact O-N 3.3Å; S159-L162 WeakPolarHBondContact OG-CG 3.46Å; S159-L162 PolarHBondContact OG-N 2.62Å; L162-K166 WeakPolarHBondContact O-CB 3.3Å; L162-K166 PolarHBondContact O-N 3.21Å
163	I	97.1	Very high	96.8	Very high	34 Å²	34	50.3 Å²	50.3	17%	0.174	24%	0.244	C	C	.	.	H	α-helix	trans	-67.2	-42.1	174.8	-63.5	-66.3	0	0	0	111.3	F117 T158 S159 T160 V161 K165 K166 K167 I197	F117-I163 HydrophobicContact CB-CG1 4.25Å; F117-I163 HydrophobicContact CD1-CG2 4.19Å; F117-I163 HydrophobicContact CD2-CB 3.64Å; F117-I163 HydrophobicContact CD2-CG1 3.7Å; F117-I163 HydrophobicContact CD2-CG2 3.65Å; F117-I163 HydrophobicContact CE1-CG2 3.95Å; F117-I163 HydrophobicContact CE2-CB 3.69Å; F117-I163 HydrophobicContact CE2-CG1 4.27Å; F117-I163 HydrophobicContact CE2-CG2 3.37Å; F117-I163 HydrophobicContact CG-CB 4.29Å; F117-I163 HydrophobicContact CG-CG1 3.99Å; F117-I163 HydrophobicContact CG-CG2 4.06Å; F117-I163 HydrophobicContact CZ-CB 4.37Å; F117-I163 HydrophobicContact CZ-CG2 3.55Å; T158-I163 HydrophobicContact CG2-CD1 3.8Å; T158-I163 HydrophobicContact CG2-CG1 3.85Å; S159-I163 WeakPolarHBondContact O-CG1 3.14Å; S159-I163 PolarHBondContact O-N 3.38Å; T160-I163 PolarHBondContact O-N 3.09Å; V161-I163 PolarHBondContact O-N 3Å; I163-K165 VanDerWaalsContact C-N 3.35Å; I163-K165 PolarHBondContact O-N 2.94Å; I163-K166 PolarHBondContact O-N 3.26Å; I163-K167 HydrophobicContact CG2-CG 4.4Å; I163-K167 WeakPolarHBondContact O-CG 3.45Å; I163-K167 PolarHBondContact O-N 2.81Å; I163-I197 HydrophobicContact CG2-CD1 4.15Å
164	A	97.2	Very high	96.7	Very high	0 Å²	0	58 Å²	58	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-57.2	-48.2	175.7	0	0	0	0	0	111.4	T160 V161 K166 K167 A168 H193 I197 F204	T160-A164 WeakPolarHBondContact O-CB 3.36Å; T160-A164 PolarHBondContact O-N 3.21Å; V161-A164 PolarHBondContact O-N 3.4Å; A164-K166 PolarHBondContact O-N 3.43Å; A164-K167 PolarHBondContact O-N 2.72Å; A164-A168 PolarHBondContact O-N 3.34Å; A164-H193 HydrophobicContact CB-CB 4.16Å; A164-I197 HydrophobicContact CB-CD1 3.97Å; A164-I197 HydrophobicContact CB-CG1 3.64Å; A164-F204 HydrophobicContact CB-CE1 4.35Å
165	K	97.6	Very high	96.4	Very high	116 Å²	116	66.7 Å²	66.7	50%	0.504	31%	0.311	S	S	.	.	H	α-helix	trans	-58.3	-47.9	174.3	-176.1	179.1	177.8	-178.8	0	112.1	V161 I163 K167 A168 E169	V161-K165 PolarHBondContact O-N 3.49Å; I163-K165 VanDerWaalsContact C-N 3.35Å; I163-K165 PolarHBondContact O-N 2.94Å; K165-K167 VanDerWaalsContact C-N 3.33Å; K165-K167 PolarHBondContact O-N 3.09Å; K165-A168 WeakPolarHBondContact O-CB 3.33Å; K165-A168 PolarHBondContact O-N 2.74Å; K165-A168 VanDerWaalsContact O-N 3.15Å; K165-E169 VanDerWaalsContact CE-OE1 3.26Å; K165-E169 WeakPolarHBondContact CE-OE1 3.2Å; K165-E169 WeakPolarHBondContact O-CG 3.3Å; K165-E169 PolarHBondContact O-N 3.01Å
166	K	97.8	Very high	96.1	Very high	119 Å²	119	71.2 Å²	71.2	52%	0.517	33%	0.331	S	S	.	.	H	α-helix	trans	-60.5	-40.7	178	-176.1	177.5	179.6	179.4	0	112	L162 I163 A164 A168 E169 L170	L162-K166 WeakPolarHBondContact O-CB 3.3Å; L162-K166 PolarHBondContact O-N 3.21Å; I163-K166 PolarHBondContact O-N 3.26Å; A164-K166 PolarHBondContact O-N 3.43Å; K166-A168 VanDerWaalsContact C-N 3.35Å; K166-E169 PolarHBondContact O-N 3.3Å; K166-L170 HydrophobicContact CG-CD1 4.32Å; K166-L170 VanDerWaalsContact O-CG 3.28Å; K166-L170 WeakPolarHBondContact O-CG 3.42Å; K166-L170 PolarHBondContact O-N 2.78Å
167	K	96	Very high	95.9	Very high	69 Å²	69	71.4 Å²	71.4	30%	0.3	34%	0.335	S	S	.	.	H	α-helix	trans	-62.3	-42.4	175.2	-74	-163.7	-172.3	-176.4	0	111.4	I163 A164 K165 L170 M171 L196 I197	I163-K167 HydrophobicContact CG2-CG 4.4Å; I163-K167 WeakPolarHBondContact O-CG 3.45Å; I163-K167 PolarHBondContact O-N 2.81Å; A164-K167 PolarHBondContact O-N 2.72Å; K165-K167 VanDerWaalsContact C-N 3.33Å; K165-K167 PolarHBondContact O-N 3.09Å; K167-L170 PolarHBondContact O-N 3.15Å; K167-M171 WeakPolarHBondContact O-CG 3.37Å; K167-M171 PolarHBondContact O-N 3.06Å; K167-L196 HydrophobicContact CB-CB 4.22Å; K167-L196 HydrophobicContact CB-CD1 3.93Å; K167-L196 HydrophobicContact CD-CB 4.29Å; K167-L196 WeakPolarHBondContact CD-O 3.44Å; K167-L196 PolarHBondContact NZ-O 3.5Å; K167-I197 HydrophobicContact CD-CD1 3.8Å; K167-I197 HydrophobicContact CG-CD1 4.49Å
168	A	97.4	Very high	95.9	Very high	4 Å²	4	72.9 Å²	72.9	3%	0.033	34%	0.342	C	S	.	.	H	α-helix	trans	-62.3	-43.6	176.1	0	0	0	0	0	112.2	A164 K165 K166 L170 M171 K172 I178 H193 L196	A164-A168 PolarHBondContact O-N 3.34Å; K165-A168 WeakPolarHBondContact O-CB 3.33Å; K165-A168 PolarHBondContact O-N 2.74Å; K165-A168 VanDerWaalsContact O-N 3.15Å; K166-A168 VanDerWaalsContact C-N 3.35Å; A168-L170 VanDerWaalsContact C-N 3.35Å; A168-L170 PolarHBondContact O-N 3.04Å; A168-M171 PolarHBondContact O-N 2.48Å; A168-K172 PolarHBondContact O-N 3.13Å; A168-I178 HydrophobicContact CB-CD1 4.32Å; A168-I178 HydrophobicContact CB-CG2 4.48Å; A168-H193 HydrophobicContact CB-CB 4.28Å; A168-L196 HydrophobicContact CB-CD1 3.76Å
169	E	97.8	Very high	95.9	Very high	102 Å²	102	70.7 Å²	70.7	48%	0.477	33%	0.329	S	S	.	.	H	α-helix	trans	-60	-43.4	174.6	-70.7	169.5	176.3	0	0	111.8	K165 K166 M171 K172 V173	K165-E169 VanDerWaalsContact CE-OE1 3.26Å; K165-E169 WeakPolarHBondContact CE-OE1 3.2Å; K165-E169 WeakPolarHBondContact O-CG 3.3Å; K165-E169 PolarHBondContact O-N 3.01Å; K166-E169 PolarHBondContact O-N 3.3Å; E169-M171 PolarHBondContact O-N 3.36Å; E169-K172 WeakPolarHBondContact O-CB 3.36Å; E169-K172 PolarHBondContact O-N 2.84Å; E169-V173 WeakPolarHBondContact O-CG2 3.24Å; E169-V173 PolarHBondContact O-N 2.84Å
170	L	95.9	Very high	95.9	Very high	75 Å²	75	71.4 Å²	71.4	39%	0.393	33%	0.334	S	S	.	.	H	α-helix	trans	-63.1	-38.6	176.2	-72.5	170.8	0	0	0	112.6	K166 K167 A168 V173 R174	K166-L170 HydrophobicContact CG-CD1 4.32Å; K166-L170 VanDerWaalsContact O-CG 3.28Å; K166-L170 WeakPolarHBondContact O-CG 3.42Å; K166-L170 PolarHBondContact O-N 2.78Å; K167-L170 PolarHBondContact O-N 3.15Å; A168-L170 VanDerWaalsContact C-N 3.35Å; A168-L170 PolarHBondContact O-N 3.04Å; L170-V173 PolarHBondContact O-N 3.01Å; L170-R174 WeakPolarHBondContact O-CB 3.46Å; L170-R174 VanDerWaalsContact O-CG 3.27Å; L170-R174 WeakPolarHBondContact O-CG 3.48Å; L170-R174 PolarHBondContact O-N 3.35Å
171	M	94.6	Very high	95.9	Very high	23 Å²	23	72.2 Å²	72.2	11%	0.113	34%	0.339	C	S	.	.	H	α-helix	trans	-63.6	-42.2	174.6	-69.7	-173.9	85.8	0	0	111.5	K167 A168 E169 V173 R174 K175 K176 L177 I178 L196	K167-M171 WeakPolarHBondContact O-CG 3.37Å; K167-M171 PolarHBondContact O-N 3.06Å; A168-M171 PolarHBondContact O-N 2.48Å; E169-M171 PolarHBondContact O-N 3.36Å; M171-V173 PolarHBondContact O-N 3.32Å; M171-R174 CarbonylContact O-C 3.52Å; M171-R174 PolarHBondContact O-N 2.86Å; M171-K175 PolarHBondContact O-N 2.9Å; M171-K176 HydrophobicContact CB-CB 4.28Å; M171-K176 HydrophobicContact CE-CB 4.01Å; M171-K176 PolarHBondContact O-N 3.35Å; M171-L177 WeakPolarHBondContact CE-O 3.29Å; M171-I178 HydrophobicContact CB-CG1 3.95Å; M171-L196 HydrophobicContact SD-CD1 4.04Å; M171-L196 HydrophobicContact SD-CD2 3.52Å; M171-L196 VanDerWaalsContact SD-CD2 3.52Å; M171-L196 HydrophobicContact SD-CG 4.46Å
172	K	94.7	Very high	95.8	Very high	163 Å²	163	77.3 Å²	77.3	71%	0.709	36%	0.361	S	S	*	.	H	α-helix	trans	-59.3	-47.1	175	-172.8	179.3	-179.6	179.7	0	111.8	A168 E169 R174 K175 I178	A168-K172 PolarHBondContact O-N 3.13Å; E169-K172 WeakPolarHBondContact O-CB 3.36Å; E169-K172 PolarHBondContact O-N 2.84Å; K172-R174 VanDerWaalsContact C-N 3.28Å; K172-R174 PolarHBondContact O-N 2.83Å; K172-K175 PolarHBondContact O-N 2.85Å; K172-I178 HydrophobicContact CB-CD1 4.43Å
173	V	96.2	Very high	95.8	Very high	119 Å²	119	76.7 Å²	76.7	72%	0.721	36%	0.362	S	S	*	.	H	α-helix	trans	-60.1	-40.3	176.4	171.8	0	0	0	0	111.3	E169 L170 M171 K175	E169-V173 WeakPolarHBondContact O-CG2 3.24Å; E169-V173 PolarHBondContact O-N 2.84Å; L170-V173 PolarHBondContact O-N 3.01Å; M171-V173 PolarHBondContact O-N 3.32Å; V173-K175 PolarHBondContact O-N 3.21Å
174	R	94.2	Very high	95.6	Very high	162 Å²	162	76.1 Å²	76.1	61%	0.611	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	1.9	176.8	-69	173.2	176.5	174.3	-1.3	114	L170 M171 K172 K176	L170-R174 WeakPolarHBondContact O-CB 3.46Å; L170-R174 VanDerWaalsContact O-CG 3.27Å; L170-R174 WeakPolarHBondContact O-CG 3.48Å; L170-R174 PolarHBondContact O-N 3.35Å; M171-R174 CarbonylContact O-C 3.52Å; M171-R174 PolarHBondContact O-N 2.86Å; K172-R174 VanDerWaalsContact C-N 3.28Å; K172-R174 PolarHBondContact O-N 2.83Å; R174-K176 HydrophobicContact CB-CG 4.18Å; R174-K176 PolarHBondContact O-N 3.35Å
175	K	93.1	Very high	95.5	Very high	198 Å²	198	78.5 Å²	78.5	86%	0.861	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	31.5	-174.3	-55.1	-179	-179.7	179.1	0	113.1	M171 K172 V173	M171-K175 PolarHBondContact O-N 2.9Å; K172-K175 PolarHBondContact O-N 2.85Å; V173-K175 PolarHBondContact O-N 3.21Å
176	K	91.7	Very high	95.3	Very high	95 Å²	95	78.3 Å²	78.3	41%	0.413	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-88.7	148.1	172.3	-70.6	-168.3	174.7	-162.9	0	109.9	M171 R174 I178 E460	M171-K176 HydrophobicContact CB-CB 4.28Å; M171-K176 HydrophobicContact CE-CB 4.01Å; M171-K176 PolarHBondContact O-N 3.35Å; R174-K176 HydrophobicContact CB-CG 4.18Å; R174-K176 PolarHBondContact O-N 3.35Å; K176-I178 PolarHBondContact O-N 2.88Å; K176-E460 IonicContact NZ-OE1 2.81Å; K176-E460 PolarHBondContact NZ-OE1 2.87Å
177	L	93.3	Very high	95.1	Very high	90 Å²	90	77.3 Å²	77.3	47%	0.471	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-63.2	123.2	172.3	-179.4	66.9	0	0	0	109.7	M171 T507 L508 I511	M171-L177 WeakPolarHBondContact CE-O 3.29Å; L177-T507 HydrophobicContact CD2-CG2 4.17Å; L177-L508 HydrophobicContact CD2-CD2 3.79Å; L177-I511 HydrophobicContact CD2-CD1 3.85Å
178	I	95.7	Very high	95.1	Very high	32 Å²	32	74.8 Å²	74.8	16%	0.164	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-75.8	125	168.3	-59.4	169.4	0	0	0	106.5	A168 M171 K172 K176 P180 F182	A168-I178 HydrophobicContact CB-CD1 4.32Å; A168-I178 HydrophobicContact CB-CG2 4.48Å; M171-I178 HydrophobicContact CB-CG1 3.95Å; K172-I178 HydrophobicContact CB-CD1 4.43Å; K176-I178 PolarHBondContact O-N 2.88Å; I178-P180 WeakPolarHBondContact O-CD 3.29Å; I178-F182 HydrophobicContact CB-CD1 4.23Å; I178-F182 HydrophobicContact CB-CE1 3.9Å; I178-F182 HydrophobicContact CG2-CD1 3.81Å; I178-F182 HydrophobicContact CG2-CE1 4Å; I178-F182 WeakPolarHBondContact O-CE1 3.42Å
179	P	96.1	Very high	95	Very high	6 Å²	6	77 Å²	77	4%	0.039	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-65.9	129.5	-177.6	-15.8	29.6	0	0	0	110.5	N195 L196 T455 P457	P179-N195 PolarHBondContact O-ND2 2.86Å; P179-L196 HydrophobicContact CG-CD2 3.94Å; P179-T455 WeakPolarHBondContact CA-OG1 3.45Å; P179-T455 WeakPolarHBondContact CB-O 3.49Å; P179-T455 VanDerWaalsContact CB-OG1 3.29Å; P179-T455 WeakPolarHBondContact CB-OG1 3.13Å; P179-P457 HydrophobicContact CG-CB 4.45Å; P179-P457 HydrophobicContact CG-CG 3.89Å
180	P	97.2	Very high	94.8	Very high	15 Å²	15	73.3 Å²	73.3	10%	0.097	37%	0.367	C	S	.	.	S	Bend	trans	-75	163	172.7	29	-36.8	0	0	0	113.7	I178 N195 T455 Y500 L508	I178-P180 WeakPolarHBondContact O-CD 3.29Å; P180-N195 PolarHBondContact O-ND2 2.79Å; P180-T455 WeakPolarHBondContact CD-OG1 3.13Å; P180-T455 HydrophobicContact CG-CG2 4.15Å; P180-T455 WeakPolarHBondContact CG-OG1 3.46Å; P180-T455 VanDerWaalsContact N-OG1 3.07Å; P180-T455 WeakPolarHBondContact O-CB 3.2Å; P180-T455 PolarHBondContact O-N 3.11Å; P180-T455 PolarHBondContact O-OG1 3.5Å; P180-Y500 HydrophobicContact CB-CD2 4.07Å; P180-Y500 HydrophobicContact CB-CG 3.84Å; P180-Y500 HydrophobicContact CG-CD2 4.19Å; P180-Y500 HydrophobicContact CG-CG 4.27Å; P180-L508 HydrophobicContact CG-CD1 4.24Å; P180-L508 HydrophobicContact CG-CD2 4.2Å
181	P	96.4	Very high	94.8	Very high	17 Å²	17	70.3 Å²	70.3	11%	0.11	35%	0.351	C	S	.	.	P	Polyproline II helix	cis	-70	149.1	-8.2	31.5	-30.6	0	0	0	109.5	C183 W184 Y500	P181-C183 VanDerWaalsContact C-N 3.27Å; P181-C183 PolarHBondContact O-N 2.74Å; P181-W184 HydrophobicContact CG-CE3 3.98Å; P181-W184 HydrophobicContact CG-CH2 4.34Å; P181-W184 HydrophobicContact CG-CZ3 3.71Å; P181-Y500 HydrophobicContact CB-CD1 3.85Å; P181-Y500 HydrophobicContact CB-CE1 3.61Å; P181-Y500 VanDerWaalsContact CD-CZ 3.48Å; P181-Y500 HydrophobicContact CG-CD1 4.45Å; P181-Y500 HydrophobicContact CG-CE1 3.8Å; P181-Y500 HydrophobicContact CG-CE2 4.41Å
182	F	95.6	Very high	95	Very high	114 Å²	114	71.1 Å²	71.1	50%	0.5	36%	0.358	S	S	.	.	S	Bend	trans	-67	-35.8	176.5	-56.7	-39.9	0	0	0	111.6	I178 C192 H193	I178-F182 HydrophobicContact CB-CD1 4.23Å; I178-F182 HydrophobicContact CB-CE1 3.9Å; I178-F182 HydrophobicContact CG2-CD1 3.81Å; I178-F182 HydrophobicContact CG2-CE1 4Å; I178-F182 WeakPolarHBondContact O-CE1 3.42Å; F182-C192 WeakPolarHBondContact O-CA 2.96Å; F182-C192 VanDerWaalsContact O-CB 3.28Å; F182-C192 WeakPolarHBondContact O-CB 3.35Å; F182-H193 PolarHBondContact O-N 2.87Å; F182-H193 PolarHBondContact O-ND1 3.26Å
183	C	95.6	Very high	95.1	Very high	58 Å²	58	65 Å²	65	39%	0.392	33%	0.332	S	S	.	.	B	Isolated β-bridge	trans	-144.4	153.6	177.3	-54.5	0	0	0	0	109.3	P181 C192	P181-C183 VanDerWaalsContact C-N 3.27Å; P181-C183 PolarHBondContact O-N 2.74Å; C183-C192 HydrophobicContact CB-CB 3.96Å; C183-C192 WeakPolarHBondContact CB-SG 3.26Å; C183-C192 WeakPolarHBondContact SG-CB 3.38Å; C183-C192 CovalentContact SG-SG 2.02Å; C183-C192 PolarHBondContact SG-SG 2.89Å
184	W	94	Very high	95	Very high	21 Å²	21	59.5 Å²	59.5	8%	0.08	30%	0.299	C	S	.	.			trans	-64.4	158	167.2	-62.8	126.6	0	0	0	111.8	P181 S186 F188 I194 G205 W206 V453 A454	P181-W184 HydrophobicContact CG-CE3 3.98Å; P181-W184 HydrophobicContact CG-CH2 4.34Å; P181-W184 HydrophobicContact CG-CZ3 3.71Å; W184-S186 PolarHBondContact O-N 3.18Å; W184-F188 HydrophobicContact CB-CB 4.4Å; W184-F188 HydrophobicContact CB-CD2 3.74Å; W184-F188 HydrophobicContact CB-CE2 4.42Å; W184-F188 HydrophobicContact CB-CG 4.41Å; W184-F188 HydrophobicContact CG-CD2 4.2Å; W184-I194 HydrophobicContact CZ2-CG2 3.74Å; W184-G205 PolarHBondContact NE1-O 2.88Å; W184-W206 AromaticContact CH2-CH2 3.76Å; W184-W206 HydrophobicContact CH2-CH2 3.76Å; W184-W206 AromaticContact CH2-CZ3 3.67Å; W184-W206 HydrophobicContact CH2-CZ3 3.67Å; W184-W206 HydrophobicContact CZ2-CE3 4.08Å; W184-W206 AromaticContact CZ2-CH2 3.97Å; W184-W206 HydrophobicContact CZ2-CH2 3.97Å; W184-W206 AromaticContact CZ2-CZ3 3.38Å; W184-W206 HydrophobicContact CZ2-CZ3 3.38Å; W184-V453 HydrophobicContact CH2-CB 4.46Å; W184-V453 HydrophobicContact CH2-CG1 4.2Å; W184-V453 HydrophobicContact CZ3-CG1 3.9Å; W184-A454 HydrophobicContact CH2-CB 4.05Å
185	P	94.1	Very high	95.1	Very high	50 Å²	50	52 Å²	52	33%	0.325	27%	0.271	S	S	.	.			trans	-48.4	138.9	170	-28.1	35.3	0	0	0	112	R187 F188	P185-R187 PolarHBondContact O-N 3.33Å; P185-R187 VanDerWaalsContact O-N 3.09Å; P185-F188 HydrophobicContact CB-CD1 4.12Å; P185-F188 HydrophobicContact CB-CE1 3.99Å; P185-F188 HydrophobicContact CB-CG 4.44Å; P185-F188 HydrophobicContact CB-CZ 4.21Å; P185-F188 HydrophobicContact CG-CD2 4.48Å; P185-F188 HydrophobicContact CG-CE1 4.04Å; P185-F188 HydrophobicContact CG-CE2 4.01Å; P185-F188 HydrophobicContact CG-CZ 3.75Å; P185-F188 WeakPolarHBondContact O-CB 3.32Å; P185-F188 PolarHBondContact O-N 2.56Å
186	S	94.3	Very high	95.3	Very high	112 Å²	112	43.1 Å²	43.1	78%	0.783	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-57.3	-31.2	-174.5	55.4	0	0	0	0	113.8	W184 F188 H189	W184-S186 PolarHBondContact O-N 3.18Å; S186-F188 PolarHBondContact O-N 2.71Å; S186-H189 PolarHBondContact O-CD2 2.64Å; S186-H189 VanDerWaalsContact O-CD2 3.32Å; S186-H189 PolarHBondContact O-N 3.5Å
187	R	94	Very high	95.5	Very high	98 Å²	98	38.6 Å²	38.6	37%	0.37	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-65.4	-18.6	177.6	-160	178.8	-62.4	164	1.4	113.6	P185 H189 Q635 H636 H637 Q638	P185-R187 PolarHBondContact O-N 3.33Å; P185-R187 VanDerWaalsContact O-N 3.09Å; R187-H189 PolarHBondContact O-N 2.8Å; R187-Q635 WeakPolarHBondContact CD-O 3.36Å; R187-H636 PolarHBondContact O-CD2 3.4Å; R187-H637 PolarHBondContact NH1-O 2.85Å; R187-Q638 VanDerWaalsContact NH1-CA 3.29Å; R187-Q638 PolarHBondContact NH1-O 3.36Å
188	F	94.8	Very high	95.6	Very high	17 Å²	17	35.2 Å²	35.2	8%	0.075	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-75.6	-10.6	174.8	-61.5	6	0	0	0	111.1	W184 P185 S186 G190 D207 T211 H636	W184-F188 HydrophobicContact CB-CB 4.4Å; W184-F188 HydrophobicContact CB-CD2 3.74Å; W184-F188 HydrophobicContact CB-CE2 4.42Å; W184-F188 HydrophobicContact CB-CG 4.41Å; W184-F188 HydrophobicContact CG-CD2 4.2Å; P185-F188 HydrophobicContact CB-CD1 4.12Å; P185-F188 HydrophobicContact CB-CE1 3.99Å; P185-F188 HydrophobicContact CB-CG 4.44Å; P185-F188 HydrophobicContact CB-CZ 4.21Å; P185-F188 HydrophobicContact CG-CD2 4.48Å; P185-F188 HydrophobicContact CG-CE1 4.04Å; P185-F188 HydrophobicContact CG-CE2 4.01Å; P185-F188 HydrophobicContact CG-CZ 3.75Å; P185-F188 WeakPolarHBondContact O-CB 3.32Å; P185-F188 PolarHBondContact O-N 2.56Å; S186-F188 PolarHBondContact O-N 2.71Å; F188-G190 PolarHBondContact O-N 2.91Å; F188-G190 VanDerWaalsContact O-N 3.14Å; F188-D207 HydrophobicContact CE1-CB 3.76Å; F188-D207 HydrophobicContact CE2-CB 4.22Å; F188-D207 HydrophobicContact CZ-CB 3.58Å; F188-T211 PolarHBondContact O-OG1 3.4Å; F188-H636 HydrophobicContact CD1-CB 3.86Å; F188-H636 HydrophobicContact CE1-CB 4.37Å; F188-H636 VanDerWaalsContact CE1-O 3.3Å; F188-H636 WeakPolarHBondContact CE1-O 3.23Å; F188-H636 PolarHBondContact O-CE1 3.45Å
189	H	95.1	Very high	95.6	Very high	50 Å²	50	33.7 Å²	33.7	23%	0.231	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	36.7	-170.4	-55.3	147.7	0	0	0	111	D79 V80 R83 S186 R187 T211 H633	D79-H189 IonicContact OD2-ND1 3.08Å; V80-H189 HydrophobicContact CG2-CB 4.03Å; R83-H189 PolarHBondContact NH2-O 2.81Å; S186-H189 PolarHBondContact O-CD2 2.64Å; S186-H189 VanDerWaalsContact O-CD2 3.32Å; S186-H189 PolarHBondContact O-N 3.5Å; R187-H189 PolarHBondContact O-N 2.8Å; H189-T211 VanDerWaalsContact O-CB 3.23Å; H189-T211 WeakPolarHBondContact O-CB 3.07Å; H189-T211 PolarHBondContact O-OG1 2.69Å; H189-H633 AromaticContact CE1-CE1 3.45Å; H189-H633 PolarHBondContact CE1-CE1 3.38Å; H189-H633 VanDerWaalsContact CE1-CE1 3.45Å; H189-H633 AromaticContact CE1-CG 3.99Å; H189-H633 AromaticContact CE1-ND1 3.28Å; H189-H633 PolarHBondContact CE1-ND1 3.21Å; H189-H633 VanDerWaalsContact CE1-ND1 3.28Å; H189-H633 AromaticContact ND1-CE1 3.39Å; H189-H633 PolarHBondContact ND1-CE1 3.44Å; H189-H633 AromaticContact ND1-ND1 3.72Å; H189-H633 AromaticContact ND1-NE2 3.94Å
190	G	95.1	Very high	95.5	Very high	24 Å²	24	33.4 Å²	33.4	25%	0.247	18%	0.184	C	C	.	.			trans	-85.9	169.5	-172.7	0	0	0	0	0	114.3	F188 F204 T211	F188-G190 PolarHBondContact O-N 2.91Å; F188-G190 VanDerWaalsContact O-N 3.14Å; G190-F204 CarbonylContact C-O 3.54Å; G190-F204 WeakPolarHBondContact CA-O 3.47Å; G190-T211 WeakPolarHBondContact CA-OG1 3.11Å
191	E	96	Very high	95.4	Very high	13 Å²	13	32.7 Å²	32.7	6%	0.061	18%	0.18	C	C	.	.			trans	-104.2	163.6	172.7	-61.7	-59.5	156.9	0	0	111.1	R83 Y87 V161 F204 T211 P213	R83-E191 WeakPolarHBondContact CD-OE1 3.49Å; R83-E191 IonicContact NE-OE1 2.87Å; R83-E191 PolarHBondContact NE-OE1 2.88Å; R83-E191 VanDerWaalsContact NE-OE1 3.1Å; Y87-E191 WeakPolarHBondContact CE2-OE1 3.46Å; Y87-E191 PolarHBondContact OH-OE2 2.81Å; V161-E191 HydrophobicContact CG1-CB 4.29Å; V161-E191 HydrophobicContact CG1-CG 4.23Å; V161-E191 HydrophobicContact CG2-CB 4.37Å; V161-E191 HydrophobicContact CG2-CG 3.98Å; E191-F204 HydrophobicContact CB-CB 4.44Å; E191-F204 HydrophobicContact CB-CD1 3.41Å; E191-F204 VanDerWaalsContact CB-CD1 3.41Å; E191-F204 HydrophobicContact CB-CE1 3.86Å; E191-F204 HydrophobicContact CB-CG 4.09Å; E191-F204 HydrophobicContact CG-CD1 4.49Å; E191-F204 PolarHBondContact N-O 2.91Å; E191-T211 HydrophobicContact CG-CG2 3.94Å; E191-P213 HydrophobicContact CG-CG 3.86Å
192	C	96.9	Very high	95.4	Very high	39 Å²	39	32 Å²	32	26%	0.264	18%	0.175	S	C	.	.	B	Isolated β-bridge	trans	-96	161	-172.3	-57.3	0	0	0	0	113.5	F182 C183 I194	F182-C192 WeakPolarHBondContact O-CA 2.96Å; F182-C192 VanDerWaalsContact O-CB 3.28Å; F182-C192 WeakPolarHBondContact O-CB 3.35Å; C183-C192 HydrophobicContact CB-CB 3.96Å; C183-C192 WeakPolarHBondContact CB-SG 3.26Å; C183-C192 WeakPolarHBondContact SG-CB 3.38Å; C183-C192 CovalentContact SG-SG 2.02Å; C183-C192 PolarHBondContact SG-SG 2.89Å; C192-I194 VanDerWaalsContact C-N 3.27Å; C192-I194 PolarHBondContact O-N 2.95Å
193	H	97.2	Very high	95.3	Very high	35 Å²	35	26.6 Å²	26.6	16%	0.162	15%	0.152	C	C	.	.			trans	61.1	23.9	169	-48	-57.4	0	0	0	116.2	A164 A168 F182 N195 L196	A164-H193 HydrophobicContact CB-CB 4.16Å; A168-H193 HydrophobicContact CB-CB 4.28Å; F182-H193 PolarHBondContact O-N 2.87Å; F182-H193 PolarHBondContact O-ND1 3.26Å; H193-N195 PolarHBondContact O-N 2.73Å; H193-L196 HydrophobicContact CB-CD1 4.09Å; H193-L196 HydrophobicContact CB-CG 4.39Å; H193-L196 WeakPolarHBondContact O-CB 3.05Å; H193-L196 PolarHBondContact O-N 2.92Å
194	I	95.4	Very high	95.3	Very high	4 Å²	4	23.9 Å²	23.9	2%	0.021	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-57.4	-33	179.4	-176.8	49.7	0	0	0	113	W184 C192 L196 I197 T199 Q201 F204	W184-I194 HydrophobicContact CZ2-CG2 3.74Å; C192-I194 VanDerWaalsContact C-N 3.27Å; C192-I194 PolarHBondContact O-N 2.95Å; I194-L196 PolarHBondContact O-N 2.81Å; I194-I197 HydrophobicContact CD1-CB 4.4Å; I194-I197 PolarHBondContact O-N 2.6Å; I194-I197 VanDerWaalsContact O-O 3.08Å; I194-T199 HydrophobicContact CD1-CG2 3.92Å; I194-Q201 HydrophobicContact CG1-CB 4.38Å; I194-F204 HydrophobicContact CB-CB 3.84Å; I194-F204 HydrophobicContact CB-CD1 3.6Å; I194-F204 HydrophobicContact CB-CD2 4.42Å; I194-F204 HydrophobicContact CB-CE1 4.26Å; I194-F204 HydrophobicContact CB-CG 3.71Å; I194-F204 HydrophobicContact CD1-CB 4.25Å; I194-F204 HydrophobicContact CD1-CD1 3.97Å; I194-F204 HydrophobicContact CD1-CD2 3.4Å; I194-F204 HydrophobicContact CD1-CE1 4.16Å; I194-F204 HydrophobicContact CD1-CE2 3.59Å; I194-F204 HydrophobicContact CD1-CG 3.61Å; I194-F204 HydrophobicContact CD1-CZ 3.98Å; I194-F204 HydrophobicContact CG1-CB 3.86Å; I194-F204 HydrophobicContact CG1-CD1 4.09Å; I194-F204 HydrophobicContact CG1-CD2 4Å; I194-F204 HydrophobicContact CG1-CG 3.73Å; I194-F204 HydrophobicContact CG2-CB 4.33Å
195	N	96.2	Very high	95.4	Very high	3 Å²	3	22.9 Å²	22.9	2%	0.016	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-64.8	-7	176.8	56.2	-13.2	0	0	0	114.7	P179 P180 H193 A454 T455 Y456 P457	P179-N195 PolarHBondContact O-ND2 2.86Å; P180-N195 PolarHBondContact O-ND2 2.79Å; H193-N195 PolarHBondContact O-N 2.73Å; N195-A454 HydrophobicContact CB-CB 3.9Å; N195-T455 VanDerWaalsContact CB-O 3.29Å; N195-T455 WeakPolarHBondContact CB-O 3.36Å; N195-T455 PolarHBondContact ND2-O 2.98Å; N195-Y456 HydrophobicContact CB-CD1 4.02Å; N195-Y456 HydrophobicContact CB-CE1 3.93Å; N195-Y456 WeakPolarHBondContact O-CD1 3.31Å; N195-P457 VanDerWaalsContact O-CD 3.25Å; N195-P457 WeakPolarHBondContact O-CD 3.26Å
196	L	96	Very high	95.5	Very high	12 Å²	12	21.1 Å²	21.1	6%	0.063	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-91.5	-4.5	170.1	-58.6	-175.3	0	0	0	113.6	K167 A168 M171 P179 H193 I194 P457	K167-L196 HydrophobicContact CB-CB 4.22Å; K167-L196 HydrophobicContact CB-CD1 3.93Å; K167-L196 HydrophobicContact CD-CB 4.29Å; K167-L196 WeakPolarHBondContact CD-O 3.44Å; K167-L196 PolarHBondContact NZ-O 3.5Å; A168-L196 HydrophobicContact CB-CD1 3.76Å; M171-L196 HydrophobicContact SD-CD1 4.04Å; M171-L196 HydrophobicContact SD-CD2 3.52Å; M171-L196 VanDerWaalsContact SD-CD2 3.52Å; M171-L196 HydrophobicContact SD-CG 4.46Å; P179-L196 HydrophobicContact CG-CD2 3.94Å; H193-L196 HydrophobicContact CB-CD1 4.09Å; H193-L196 HydrophobicContact CB-CG 4.39Å; H193-L196 WeakPolarHBondContact O-CB 3.05Å; H193-L196 PolarHBondContact O-N 2.92Å; I194-L196 PolarHBondContact O-N 2.81Å; L196-P457 HydrophobicContact CD2-CG 3.65Å
197	I	95.7	Very high	95.5	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.088	C	C	.	.	S	Bend	trans	-121.1	140.5	-175.1	-50.2	-51.3	0	0	0	110.2	T116 F117 T160 I163 A164 K167 I194 T199 Q201	T116-I197 HydrophobicContact CG2-CG2 4.04Å; F117-I197 HydrophobicContact CE2-CD1 3.77Å; F117-I197 HydrophobicContact CE2-CG1 4.32Å; F117-I197 HydrophobicContact CE2-CG2 3.67Å; F117-I197 HydrophobicContact CZ-CD1 3.65Å; F117-I197 HydrophobicContact CZ-CG1 4.45Å; F117-I197 HydrophobicContact CZ-CG2 3.75Å; T160-I197 HydrophobicContact CG2-CG2 3.82Å; I163-I197 HydrophobicContact CG2-CD1 4.15Å; A164-I197 HydrophobicContact CB-CD1 3.97Å; A164-I197 HydrophobicContact CB-CG1 3.64Å; K167-I197 HydrophobicContact CD-CD1 3.8Å; K167-I197 HydrophobicContact CG-CD1 4.49Å; I194-I197 HydrophobicContact CD1-CB 4.4Å; I194-I197 PolarHBondContact O-N 2.6Å; I194-I197 VanDerWaalsContact O-O 3.08Å; I197-T199 HydrophobicContact CG2-CG2 3.96Å; I197-T199 PolarHBondContact O-N 3.28Å; I197-Q201 PolarHBondContact O-NE2 3.39Å
198	R	95.7	Very high	95.5	Very high	20 Å²	20	13 Å²	13	8%	0.075	7%	0.071	C	C	.	.	B	Isolated β-bridge	trans	-96	85.7	174.7	-56.3	-50.7	-56.1	156.1	3	110	N132 S133 M450 F451 V465 E468	N132-R198 HydrophobicContact CB-CB 3.92Å; N132-R198 WeakPolarHBondContact OD1-CB 3.22Å; S133-R198 PolarHBondContact N-O 3.11Å; R198-M450 PolarHBondContact NH1-O 3.48Å; R198-M450 PolarHBondContact NH2-O 3.39Å; R198-F451 VanDerWaalsContact CZ-CE1 3.43Å; R198-F451 VanDerWaalsContact NH2-CE2 3.34Å; R198-V465 HydrophobicContact CG-CG2 4.49Å; R198-E468 IonicContact CZ-OE2 3.79Å; R198-E468 IonicContact NE-OE2 3.41Å; R198-E468 PolarHBondContact NE-OE2 3.37Å; R198-E468 IonicContact NH2-OE1 2.81Å; R198-E468 PolarHBondContact NH2-OE1 3.1Å; R198-E468 VanDerWaalsContact NH2-OE1 3.1Å; R198-E468 IonicContact NH2-OE2 2.86Å; R198-E468 PolarHBondContact NH2-OE2 2.94Å
199	T	95.4	Very high	95.4	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.067	C	C	.	.	S	Bend	trans	-149.9	-179.1	169.9	-172.7	0	0	0	0	109.3	D115 S133 F134 T160 I194 I197 Q201 I203	D115-T199 PolarHBondContact OD1-OG1 3.03Å; D115-T199 PolarHBondContact OD2-OG1 3.17Å; S133-T199 PolarHBondContact OG-OG1 3.02Å; F134-T199 WeakPolarHBondContact CE2-O 3.38Å; F134-T199 VanDerWaalsContact CZ-O 3.32Å; F134-T199 WeakPolarHBondContact CZ-O 3.35Å; T160-T199 HydrophobicContact CG2-CG2 4.37Å; I194-T199 HydrophobicContact CD1-CG2 3.92Å; I197-T199 HydrophobicContact CG2-CG2 3.96Å; I197-T199 PolarHBondContact O-N 3.28Å; T199-Q201 PolarHBondContact O-N 3.35Å; T199-Q201 PolarHBondContact O-NE2 3.28Å; T199-I203 HydrophobicContact CG2-CD1 4.23Å
200	T	95	Very high	95.3	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	6%	0.056	C	C	.	.			trans	-50.9	123.5	172.7	-55.4	0	0	0	0	108.6	I203 G427 R428	T200-I203 HydrophobicContact CG2-CG2 3.79Å; T200-I203 WeakPolarHBondContact O-CG1 3.17Å; T200-G427 WeakPolarHBondContact CA-O 3.42Å; T200-R428 PolarHBondContact OG1-NE 2.95Å
201	Q	95.8	Very high	95.3	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.045	C	C	.	.	S	Bend	trans	-77.3	-37.8	-173.1	-59.5	-68.6	-76.3	0	0	111	I194 I197 T199 I203 F204 W206 G426 Y456	I194-Q201 HydrophobicContact CG1-CB 4.38Å; I197-Q201 PolarHBondContact O-NE2 3.39Å; T199-Q201 PolarHBondContact O-N 3.35Å; T199-Q201 PolarHBondContact O-NE2 3.28Å; Q201-I203 PolarHBondContact O-N 3.18Å; Q201-I203 VanDerWaalsContact O-N 3.16Å; Q201-F204 PolarHBondContact O-N 3.35Å; Q201-W206 HydrophobicContact CB-CZ3 4.31Å; Q201-G426 PolarHBondContact N-O 3.04Å; Q201-G426 VanDerWaalsContact N-O 3.08Å; Q201-Y456 PolarHBondContact OE1-OH 2.9Å; Q201-Y456 VanDerWaalsContact OE1-OH 3.12Å
202	S	95.5	Very high	95.1	Very high	3 Å²	3	8.1 Å²	8.1	2%	0.021	4%	0.042	C	C	.	.	G	3₁₀ helix	trans	-68.3	-13.4	-176.3	70	0	0	0	0	115	F204 G205 G426	S202-F204 PolarHBondContact O-N 2.95Å; S202-G205 PolarHBondContact O-N 2.86Å; S202-G426 PolarHBondContact N-O 2.82Å; S202-G426 PolarHBondContact OG-O 3.04Å
203	I	93.8	Very high	95	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	3%	0.03	C	C	.	.	G	3₁₀ helix	trans	-72	-14	175.1	60.1	160.7	0	0	0	112.4	T199 T200 Q201 G205 T211 L212 P213 I214 Y386	T199-I203 HydrophobicContact CG2-CD1 4.23Å; T200-I203 HydrophobicContact CG2-CG2 3.79Å; T200-I203 WeakPolarHBondContact O-CG1 3.17Å; Q201-I203 PolarHBondContact O-N 3.18Å; Q201-I203 VanDerWaalsContact O-N 3.16Å; I203-G205 VanDerWaalsContact C-N 3.26Å; I203-T211 CarbonylContact O-C 3.46Å; I203-L212 WeakPolarHBondContact CB-O 3.36Å; I203-L212 CarbonylContact O-C 3.29Å; I203-L212 PolarHBondContact O-N 2.96Å; I203-P213 WeakPolarHBondContact O-CD 3.32Å; I203-I214 HydrophobicContact CD1-CG1 3.91Å; I203-Y386 HydrophobicContact CG2-CD1 4.1Å
204	F	95.6	Very high	94.7	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	2%	0.023	C	C	.	.	G	3₁₀ helix	trans	-86.5	6.6	171.5	-87.2	-129.5	0	0	0	113	T160 V161 A164 G190 E191 I194 Q201 S202 P213	T160-F204 HydrophobicContact CG2-CE2 3.95Å; T160-F204 HydrophobicContact CG2-CZ 3.86Å; V161-F204 HydrophobicContact CG2-CE1 4.1Å; V161-F204 HydrophobicContact CG2-CZ 3.89Å; A164-F204 HydrophobicContact CB-CE1 4.35Å; G190-F204 CarbonylContact C-O 3.54Å; G190-F204 WeakPolarHBondContact CA-O 3.47Å; E191-F204 HydrophobicContact CB-CB 4.44Å; E191-F204 HydrophobicContact CB-CD1 3.41Å; E191-F204 VanDerWaalsContact CB-CD1 3.41Å; E191-F204 HydrophobicContact CB-CE1 3.86Å; E191-F204 HydrophobicContact CB-CG 4.09Å; E191-F204 HydrophobicContact CG-CD1 4.49Å; E191-F204 PolarHBondContact N-O 2.91Å; I194-F204 HydrophobicContact CB-CB 3.84Å; I194-F204 HydrophobicContact CB-CD1 3.6Å; I194-F204 HydrophobicContact CB-CD2 4.42Å; I194-F204 HydrophobicContact CB-CE1 4.26Å; I194-F204 HydrophobicContact CB-CG 3.71Å; I194-F204 HydrophobicContact CD1-CB 4.25Å; I194-F204 HydrophobicContact CD1-CD1 3.97Å; I194-F204 HydrophobicContact CD1-CD2 3.4Å; I194-F204 HydrophobicContact CD1-CE1 4.16Å; I194-F204 HydrophobicContact CD1-CE2 3.59Å; I194-F204 HydrophobicContact CD1-CG 3.61Å; I194-F204 HydrophobicContact CD1-CZ 3.98Å; I194-F204 HydrophobicContact CG1-CB 3.86Å; I194-F204 HydrophobicContact CG1-CD1 4.09Å; I194-F204 HydrophobicContact CG1-CD2 4Å; I194-F204 HydrophobicContact CG1-CG 3.73Å; I194-F204 HydrophobicContact CG2-CB 4.33Å; Q201-F204 PolarHBondContact O-N 3.35Å; S202-F204 PolarHBondContact O-N 2.95Å; F204-P213 HydrophobicContact CD2-CB 3.93Å; F204-P213 HydrophobicContact CD2-CG 3.83Å; F204-P213 HydrophobicContact CE2-CB 3.55Å; F204-P213 HydrophobicContact CE2-CG 3.9Å; F204-P213 HydrophobicContact CG-CG 4.26Å; F204-P213 HydrophobicContact CZ-CB 4.09Å; F204-P213 HydrophobicContact CZ-CG 4.35Å
205	G	95	Very high	94.5	Very high	0 Å²	0	4.6 Å²	4.6	0%	0	2%	0.022	C	C	.	.			trans	109.7	142.6	179.4	0	0	0	0	0	112.2	W184 S202 I203 T211	W184-G205 PolarHBondContact NE1-O 2.88Å; S202-G205 PolarHBondContact O-N 2.86Å; I203-G205 VanDerWaalsContact C-N 3.26Å; G205-T211 WeakPolarHBondContact CA-OG1 3.47Å; G205-T211 PolarHBondContact N-OG1 3.08Å
206	W	96.2	Very high	94.4	Very high	13 Å²	13	4.5 Å²	4.5	5%	0.049	2%	0.022	C	C	.	.	B	Isolated β-bridge	trans	-150.1	170.4	177.6	-143.4	-92	0	0	0	111.2	W184 Q201 W208 G209 W424 A452 V453 H636	W184-W206 AromaticContact CH2-CH2 3.76Å; W184-W206 HydrophobicContact CH2-CH2 3.76Å; W184-W206 AromaticContact CH2-CZ3 3.67Å; W184-W206 HydrophobicContact CH2-CZ3 3.67Å; W184-W206 HydrophobicContact CZ2-CE3 4.08Å; W184-W206 AromaticContact CZ2-CH2 3.97Å; W184-W206 HydrophobicContact CZ2-CH2 3.97Å; W184-W206 AromaticContact CZ2-CZ3 3.38Å; W184-W206 HydrophobicContact CZ2-CZ3 3.38Å; Q201-W206 HydrophobicContact CB-CZ3 4.31Å; W206-W208 HydrophobicContact CB-CD2 4.41Å; W206-W208 HydrophobicContact CB-CZ2 4.25Å; W206-W208 AromaticContact CD1-CD1 3.37Å; W206-W208 AromaticContact CD1-CE2 3.8Å; W206-W208 AromaticContact CD1-NE1 2.99Å; W206-W208 HydrophobicContact CG-CZ2 4.35Å; W206-W208 AromaticContact CG-NE1 3.64Å; W206-W208 AromaticContact NE1-NE1 3.7Å; W206-W208 PolarHBondContact O-N 2.99Å; W206-G209 PolarHBondContact N-O 2.71Å; W206-G209 PolarHBondContact O-N 2.81Å; W206-W424 AromaticContact CD1-CH2 3.98Å; W206-W424 AromaticContact CD2-CH2 3.55Å; W206-W424 HydrophobicContact CD2-CH2 3.55Å; W206-W424 HydrophobicContact CD2-CZ2 4.06Å; W206-W424 AromaticContact CE2-CH2 3.27Å; W206-W424 AromaticContact CE2-CZ2 3.26Å; W206-W424 HydrophobicContact CE3-CH2 4.04Å; W206-W424 HydrophobicContact CG-CH2 4.01Å; W206-W424 AromaticContact CH2-CH2 3.98Å; W206-W424 HydrophobicContact CH2-CH2 3.98Å; W206-W424 AromaticContact CH2-CZ2 3.94Å; W206-W424 HydrophobicContact CH2-CZ2 3.94Å; W206-W424 AromaticContact CZ2-CH2 3.54Å; W206-W424 HydrophobicContact CZ2-CH2 3.54Å; W206-W424 AromaticContact CZ2-CZ2 3.22Å; W206-W424 HydrophobicContact CZ2-CZ2 3.22Å; W206-W424 HydrophobicContact CZ3-CH2 4.21Å; W206-W424 AromaticContact NE1-CH2 3.55Å; W206-W424 AromaticContact NE1-CZ2 3.41Å; W206-A452 HydrophobicContact CH2-CB 4Å; W206-A452 HydrophobicContact CZ2-CB 4.35Å; W206-V453 HydrophobicContact CH2-CB 3.95Å; W206-V453 HydrophobicContact CH2-CG2 4.19Å; W206-V453 HydrophobicContact CZ2-CB 3.88Å; W206-V453 HydrophobicContact CZ2-CG2 3.64Å; W206-H636 PolarHBondContact O-ND1 2.79Å
207	D	94.6	Very high	94.3	Very high	37 Å²	37	4 Å²	4	20%	0.198	2%	0.019	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-7.2	-177.2	68.7	-4.5	0	0	0	115.4	F188 H636 W725	F188-D207 HydrophobicContact CE1-CB 3.76Å; F188-D207 HydrophobicContact CE2-CB 4.22Å; F188-D207 HydrophobicContact CZ-CB 3.58Å; D207-H636 WeakPolarHBondContact O-CB 3.2Å; D207-W725 HydrophobicContact CB-CH2 4.48Å; D207-W725 WeakPolarHBondContact OD2-CH2 3.35Å
208	W	95	Very high	94.1	Very high	2 Å²	2	4.8 Å²	4.8	1%	0.008	2%	0.022	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.6	-5.3	175.1	52.4	-103.7	0	0	0	113.2	W206 I382 W424 W714 I719 W725	W206-W208 HydrophobicContact CB-CD2 4.41Å; W206-W208 HydrophobicContact CB-CZ2 4.25Å; W206-W208 AromaticContact CD1-CD1 3.37Å; W206-W208 AromaticContact CD1-CE2 3.8Å; W206-W208 AromaticContact CD1-NE1 2.99Å; W206-W208 HydrophobicContact CG-CZ2 4.35Å; W206-W208 AromaticContact CG-NE1 3.64Å; W206-W208 AromaticContact NE1-NE1 3.7Å; W206-W208 PolarHBondContact O-N 2.99Å; W208-I382 HydrophobicContact CD2-CD1 4.08Å; W208-I382 HydrophobicContact CE3-CD1 3.64Å; W208-I382 HydrophobicContact CH2-CB 4.26Å; W208-I382 HydrophobicContact CH2-CD1 3.67Å; W208-I382 HydrophobicContact CH2-CG2 4.46Å; W208-I382 HydrophobicContact CZ2-CB 4.17Å; W208-I382 HydrophobicContact CZ2-CD1 4.06Å; W208-I382 HydrophobicContact CZ2-CG2 3.9Å; W208-I382 HydrophobicContact CZ3-CD1 3.46Å; W208-I382 VanDerWaalsContact CZ3-CD1 3.46Å; W208-W424 HydrophobicContact CZ2-CH2 4.02Å; W208-W424 AromaticContact CZ2-CZ3 3.68Å; W208-W424 HydrophobicContact CZ2-CZ3 3.68Å; W208-W714 AromaticContact CD1-CZ2 3.65Å; W208-W714 AromaticContact NE1-CZ2 3.48Å; W208-I719 HydrophobicContact CE3-CG1 4.41Å; W208-I719 HydrophobicContact CH2-CD1 3.96Å; W208-I719 HydrophobicContact CH2-CG1 4.38Å; W208-I719 HydrophobicContact CZ3-CD1 3.62Å; W208-I719 HydrophobicContact CZ3-CG1 3.6Å; W208-W725 HydrophobicContact CB-CE3 4.47Å; W208-W725 HydrophobicContact CB-CZ3 4.36Å
209	G	93.1	Very high	93.9	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	2%	0.024	C	C	.	.	B	Isolated β-bridge	trans	-144.7	153.3	-161.3	0	0	0	0	0	114.5	W206 Y386 H636	W206-G209 PolarHBondContact N-O 2.71Å; W206-G209 PolarHBondContact O-N 2.81Å; G209-Y386 WeakPolarHBondContact CA-OH 3.34Å; G209-H636 PolarHBondContact O-CE1 2.86Å; G209-H636 PolarHBondContact O-ND1 3.05Å; G209-H636 VanDerWaalsContact O-ND1 3.1Å
210	L	93.1	Very high	93.8	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	3%	0.027	C	C	.	.			trans	-72.8	170.8	173.4	74.5	145.9	0	0	0	113.4	P73 L74 D79 L212 Y386 W720	P73-L210 HydrophobicContact CB-CD1 4.13Å; L74-L210 HydrophobicContact CD2-CD1 4.41Å; L74-L210 HydrophobicContact CD2-CD2 3.7Å; D79-L210 HydrophobicContact CB-CB 3.73Å; D79-L210 HydrophobicContact CB-CD1 3.54Å; D79-L210 HydrophobicContact CB-CG 4.27Å; L210-L212 HydrophobicContact CD1-CD1 3.56Å; L210-L212 HydrophobicContact CD1-CD2 3.81Å; L210-L212 HydrophobicContact CD1-CG 3.43Å; L210-L212 VanDerWaalsContact CD1-CG 3.43Å; L210-L212 HydrophobicContact CG-CD1 4.27Å; L210-L212 HydrophobicContact CG-CG 4.12Å; L210-Y386 HydrophobicContact CD2-CD2 3.77Å; L210-Y386 HydrophobicContact CD2-CE1 4.45Å; L210-Y386 HydrophobicContact CD2-CE2 3.14Å; L210-Y386 HydrophobicContact CG-CD2 4.43Å; L210-Y386 HydrophobicContact CG-CE1 4.32Å; L210-Y386 HydrophobicContact CG-CE2 3.87Å; L210-Y386 PolarHBondContact N-OH 3.22Å; L210-Y386 VanDerWaalsContact O-CE1 3.23Å; L210-Y386 WeakPolarHBondContact O-CE1 3.34Å; L210-Y386 PolarHBondContact O-OH 3.02Å; L210-W720 HydrophobicContact CB-CD2 3.98Å; L210-W720 HydrophobicContact CB-CE3 4.03Å; L210-W720 HydrophobicContact CB-CH2 4.14Å; L210-W720 HydrophobicContact CB-CZ2 4.1Å; L210-W720 HydrophobicContact CB-CZ3 4.13Å; L210-W720 HydrophobicContact CD2-CB 3.56Å; L210-W720 HydrophobicContact CD2-CD2 3.7Å; L210-W720 HydrophobicContact CD2-CE3 4.35Å; L210-W720 HydrophobicContact CD2-CG 3.34Å; L210-W720 HydrophobicContact CG-CD2 4.48Å
211	T	94.4	Very high	93.9	Very high	2 Å²	2	5.2 Å²	5.2	1%	0.012	3%	0.027	C	C	.	.			trans	-104	116.6	-179.7	-59.1	0	0	0	0	110.6	F188 H189 G190 E191 I203 G205 P213	F188-T211 PolarHBondContact O-OG1 3.4Å; H189-T211 VanDerWaalsContact O-CB 3.23Å; H189-T211 WeakPolarHBondContact O-CB 3.07Å; H189-T211 PolarHBondContact O-OG1 2.69Å; G190-T211 WeakPolarHBondContact CA-OG1 3.11Å; E191-T211 HydrophobicContact CG-CG2 3.94Å; I203-T211 CarbonylContact O-C 3.46Å; G205-T211 WeakPolarHBondContact CA-OG1 3.47Å; G205-T211 PolarHBondContact N-OG1 3.08Å; T211-P213 HydrophobicContact CG2-CG 4.17Å
212	L	92	Very high	93.9	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.037	C	C	.	.			trans	-141.4	73.3	175.2	-64.2	177.3	0	0	0	112.2	Y60 P73 I203 L210 I214 Y386 M387	Y60-L212 HydrophobicContact CD1-CD2 3.68Å; Y60-L212 HydrophobicContact CD2-CB 4.38Å; Y60-L212 HydrophobicContact CD2-CD2 4.43Å; Y60-L212 HydrophobicContact CE1-CD2 3.36Å; Y60-L212 HydrophobicContact CE2-CB 4.17Å; Y60-L212 HydrophobicContact CE2-CD2 4.15Å; Y60-L212 HydrophobicContact CG-CD2 4.2Å; P73-L212 HydrophobicContact CB-CD1 3.88Å; P73-L212 HydrophobicContact CB-CD2 3.4Å; P73-L212 VanDerWaalsContact CB-CD2 3.4Å; P73-L212 HydrophobicContact CB-CG 4.22Å; P73-L212 HydrophobicContact CG-CD1 3.68Å; P73-L212 HydrophobicContact CG-CD2 3.92Å; P73-L212 HydrophobicContact CG-CG 4.47Å; I203-L212 WeakPolarHBondContact CB-O 3.36Å; I203-L212 CarbonylContact O-C 3.29Å; I203-L212 PolarHBondContact O-N 2.96Å; L210-L212 HydrophobicContact CD1-CD1 3.56Å; L210-L212 HydrophobicContact CD1-CD2 3.81Å; L210-L212 HydrophobicContact CD1-CG 3.43Å; L210-L212 VanDerWaalsContact CD1-CG 3.43Å; L210-L212 HydrophobicContact CG-CD1 4.27Å; L210-L212 HydrophobicContact CG-CG 4.12Å; L212-I214 VanDerWaalsContact O-CG2 3.26Å; L212-I214 WeakPolarHBondContact O-CG2 3.36Å; L212-I214 PolarHBondContact O-N 3.23Å; L212-Y386 HydrophobicContact CB-CD1 4.35Å; L212-Y386 HydrophobicContact CD1-CD1 4.25Å; L212-Y386 HydrophobicContact CD1-CD2 4.49Å; L212-Y386 HydrophobicContact CD1-CG 3.98Å; L212-M387 HydrophobicContact CD1-CE 4.02Å
213	P	94.1	Very high	94	Very high	2 Å²	2	7.6 Å²	7.6	1%	0.013	4%	0.038	C	C	.	.			trans	-59.2	101.4	172	-22.9	33.5	0	0	0	110.8	Y60 A86 V161 E191 I203 F204 T211	Y60-P213 WeakPolarHBondContact CE2-O 3.32Å; A86-P213 HydrophobicContact CB-CB 3.87Å; A86-P213 HydrophobicContact CB-CG 4.02Å; V161-P213 HydrophobicContact CG2-CB 3.57Å; V161-P213 HydrophobicContact CG2-CG 3.64Å; E191-P213 HydrophobicContact CG-CG 3.86Å; I203-P213 WeakPolarHBondContact O-CD 3.32Å; F204-P213 HydrophobicContact CD2-CB 3.93Å; F204-P213 HydrophobicContact CD2-CG 3.83Å; F204-P213 HydrophobicContact CE2-CB 3.55Å; F204-P213 HydrophobicContact CE2-CG 3.9Å; F204-P213 HydrophobicContact CG-CG 4.26Å; F204-P213 HydrophobicContact CZ-CB 4.09Å; F204-P213 HydrophobicContact CZ-CG 4.35Å; T211-P213 HydrophobicContact CG2-CG 4.17Å
214	I	90.3	Very high	94	Very high	1 Å²	1	7.6 Å²	7.6	1%	0.005	4%	0.038	C	C	.	.			trans	-81.6	156.1	-174.1	62.4	179.2	0	0	0	111.6	Y60 D115 I203 L212 W218 P388	Y60-I214 HydrophobicContact CD2-CG2 4.1Å; D115-I214 HydrophobicContact CB-CD1 4.08Å; D115-I214 HydrophobicContact CB-CG1 3.88Å; D115-I214 WeakPolarHBondContact OD2-CG1 3.2Å; I203-I214 HydrophobicContact CD1-CG1 3.91Å; L212-I214 VanDerWaalsContact O-CG2 3.26Å; L212-I214 WeakPolarHBondContact O-CG2 3.36Å; L212-I214 PolarHBondContact O-N 3.23Å; I214-W218 VanDerWaalsContact CD1-NE1 3.32Å; I214-P388 HydrophobicContact CD1-CG 4.39Å
215	Q	93.1	Very high	93.9	Very high	1 Å²	1	7.7 Å²	7.7	1%	0.005	4%	0.038	C	C	.	.			trans	-130.3	137.6	163.3	-53.9	95.4	-33.4	0	0	109.6	D58 S59 I85 A86 T88 F92 D115 C157	D58-Q215 CarbonylContact C-O 3.47Å; D58-Q215 VanDerWaalsContact CA-O 3.23Å; D58-Q215 WeakPolarHBondContact CA-O 3.33Å; D58-Q215 WeakPolarHBondContact CB-O 3.31Å; S59-Q215 PolarHBondContact N-O 3.27Å; S59-Q215 PolarHBondContact OG-N 2.93Å; S59-Q215 VanDerWaalsContact OG-N 3.16Å; S59-Q215 PolarHBondContact OG-O 3.05Å; S59-Q215 PolarHBondContact OG-OE1 2.98Å; I85-Q215 PolarHBondContact O-NE2 2.83Å; A86-Q215 PolarHBondContact O-NE2 3.07Å; T88-Q215 PolarHBondContact O-NE2 2.65Å; F92-Q215 WeakPolarHBondContact CZ-O 3.34Å; D115-Q215 CarbonylContact O-C 3.56Å; D115-Q215 WeakPolarHBondContact O-CA 3.37Å; C157-Q215 HydrophobicContact CB-CB 4.14Å
216	G	93.1	Very high	93.7	Very high	1 Å²	1	7.7 Å²	7.7	1%	0.01	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	124.7	-144.8	175.6	0	0	0	0	0	113.6	I114 D115	I114-G216 WeakPolarHBondContact CA-O 3.37Å; D115-G216 PolarHBondContact N-O 3.05Å; D115-G216 PolarHBondContact O-N 3.32Å
217	L	94	Very high	93	Very high	1 Å²	1	7.3 Å²	7.3	1%	0.005	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	117.6	-158.3	-61.2	168.8	0	0	0	111.3	W40 G56 L57 I114 F155 T219 P221 G389	W40-L217 HydrophobicContact CE3-CD1 4.38Å; W40-L217 HydrophobicContact CH2-CD1 3.81Å; W40-L217 HydrophobicContact CZ2-CD1 4.39Å; W40-L217 HydrophobicContact CZ3-CD1 3.78Å; G56-L217 CarbonylContact C-O 3.54Å; G56-L217 VanDerWaalsContact C-O 3.29Å; G56-L217 WeakPolarHBondContact CA-O 3.47Å; L57-L217 PolarHBondContact N-O 2.79Å; L57-L217 PolarHBondContact O-N 2.98Å; I114-L217 HydrophobicContact CD1-CD2 4.09Å; I114-L217 HydrophobicContact CG1-CD2 4.18Å; F155-L217 HydrophobicContact CD1-CD2 3.98Å; F155-L217 HydrophobicContact CE1-CD2 3.82Å; F155-L217 HydrophobicContact CZ-CD2 4.24Å; L217-T219 WeakPolarHBondContact CB-O 3.42Å; L217-P221 HydrophobicContact CD1-CG 4.19Å; L217-P221 HydrophobicContact CD2-CG 4.1Å; L217-G389 WeakPolarHBondContact O-CA 3.3Å
218	W	91.3	Very high	92.4	Very high	18 Å²	18	8.9 Å²	8.9	7%	0.068	5%	0.045	C	C	.	.	S	Bend	trans	-77	-35.5	173.3	-56.6	-5.9	0	0	0	112	G113 D115 S133 F134 I214 P388 G389 R402	G113-W218 WeakPolarHBondContact O-CA 3.45Å; G113-W218 WeakPolarHBondContact O-CB 3.42Å; G113-W218 PolarHBondContact O-N 2.95Å; D115-W218 HydrophobicContact CB-CZ2 4.03Å; S133-W218 VanDerWaalsContact CB-CZ2 3.42Å; S133-W218 WeakPolarHBondContact O-CZ3 3.44Å; F134-W218 HydrophobicContact CD1-CH2 4.01Å; F134-W218 HydrophobicContact CD1-CZ3 4.24Å; F134-W218 AromaticContact CE1-CH2 3.9Å; F134-W218 HydrophobicContact CE1-CH2 3.9Å; F134-W218 HydrophobicContact CE1-CZ3 4.44Å; I214-W218 VanDerWaalsContact CD1-NE1 3.32Å; W218-P388 HydrophobicContact CB-CB 3.89Å; W218-P388 HydrophobicContact CB-CG 3.6Å; W218-P388 HydrophobicContact CD2-CB 4.48Å; W218-P388 HydrophobicContact CD2-CG 3.72Å; W218-P388 HydrophobicContact CG-CB 4Å; W218-P388 HydrophobicContact CG-CG 3.21Å; W218-G389 WeakPolarHBondContact O-CA 3.33Å; W218-R402 PolarHBondContact O-NH2 3.11Å
219	T	91	Very high	92	Very high	18 Å²	18	8.8 Å²	8.8	11%	0.11	5%	0.045	C	C	.	.	S	Bend	trans	-122	155.9	167.1	76.7	0	0	0	0	107.9	D112 L217	D112-T219 WeakPolarHBondContact O-CB 3.29Å; D112-T219 VanDerWaalsContact O-CG2 3.26Å; D112-T219 WeakPolarHBondContact O-CG2 3.32Å; D112-T219 PolarHBondContact O-OG1 3.31Å; L217-T219 WeakPolarHBondContact CB-O 3.42Å
220	L	93.9	Very high	91.8	Very high	11 Å²	11	8.8 Å²	8.8	6%	0.058	5%	0.045	C	C	.	.			trans	-71.8	140.1	170.2	-71	175	0	0	0	109.7	N37 W40 Y55 Q222	N37-L220 WeakPolarHBondContact OD1-CD1 2.99Å; W40-L220 HydrophobicContact CZ2-CD2 3.95Å; Y55-L220 VanDerWaalsContact O-CD1 3.31Å; Y55-L220 WeakPolarHBondContact O-CD1 3.43Å; Y55-L220 WeakPolarHBondContact O-CD2 3.37Å; Y55-L220 WeakPolarHBondContact O-CG 3.4Å; L220-Q222 WeakPolarHBondContact O-CG 3.44Å
221	P	96.8	Very high	91.8	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.046	C	C	.	.			trans	-54	146	169.7	-22.9	31.1	0	0	0	110.9	L36 W40 L109 Y110 I111 L153 F155 L217	L36-P221 WeakPolarHBondContact CB-O 3.34Å; L36-P221 HydrophobicContact CD1-CB 4.23Å; L36-P221 WeakPolarHBondContact CG-O 3.08Å; L36-P221 PolarHBondContact N-O 2.97Å; W40-P221 HydrophobicContact CH2-CG 3.95Å; W40-P221 HydrophobicContact CZ2-CG 4.4Å; L109-P221 HydrophobicContact CD1-CB 3.95Å; Y110-P221 WeakPolarHBondContact O-CA 3.28Å; I111-P221 HydrophobicContact CG1-CB 3.75Å; I111-P221 HydrophobicContact CG1-CG 4Å; L153-P221 HydrophobicContact CD2-CB 4.48Å; F155-P221 HydrophobicContact CE1-CG 4.13Å; F155-P221 HydrophobicContact CE2-CG 3.88Å; F155-P221 HydrophobicContact CZ-CB 4.15Å; F155-P221 HydrophobicContact CZ-CG 3.32Å; L217-P221 HydrophobicContact CD1-CG 4.19Å; L217-P221 HydrophobicContact CD2-CG 4.1Å
222	Q	96.8	Very high	91.9	Very high	48 Å²	48	9 Å²	9	22%	0.224	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	143.8	-177.9	-53.7	-173.4	61.8	0	0	109.8	W33 I34 P35 Y110 L220	W33-Q222 HydrophobicContact CE3-CB 4.43Å; I34-Q222 CarbonylContact O-C 3.55Å; I34-Q222 WeakPolarHBondContact O-CA 3.35Å; P35-Q222 HydrophobicContact CB-CG 4.37Å; Y110-Q222 HydrophobicContact CD1-CB 4.29Å; Y110-Q222 HydrophobicContact CD1-CG 4.47Å; Y110-Q222 PolarHBondContact N-O 3.28Å; Y110-Q222 PolarHBondContact O-N 2.88Å; L220-Q222 WeakPolarHBondContact O-CG 3.44Å
223	L	96	Very high	92	Very high	5 Å²	5	9.2 Å²	9.2	3%	0.026	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	124.7	163.5	-56.7	175.7	0	0	0	108.1	W33 I34 L36 F96 I98 I107 E108 L109 I141	W33-L223 WeakPolarHBondContact CA-O 3.17Å; I34-L223 HydrophobicContact CB-CB 4.35Å; I34-L223 PolarHBondContact N-O 2.79Å; I34-L223 PolarHBondContact O-N 3.26Å; L36-L223 HydrophobicContact CD2-CD1 3.86Å; L36-L223 HydrophobicContact CD2-CD2 4.43Å; L36-L223 HydrophobicContact CD2-CG 3.81Å; L36-L223 HydrophobicContact CG-CG 4.37Å; F96-L223 HydrophobicContact CD2-CD1 3.91Å; F96-L223 HydrophobicContact CE2-CD1 3.82Å; F96-L223 HydrophobicContact CE2-CD2 4.07Å; F96-L223 HydrophobicContact CZ-CD2 4.31Å; I98-L223 HydrophobicContact CD1-CD1 3.5Å; I107-L223 HydrophobicContact CG2-CB 4.47Å; I107-L223 HydrophobicContact CG2-CD2 4.37Å; E108-L223 CarbonylContact O-C 3.53Å; E108-L223 WeakPolarHBondContact O-CA 3.41Å; L109-L223 HydrophobicContact CD1-CD2 4.48Å; I141-L223 HydrophobicContact CD1-CD2 3.77Å
224	V	95.3	Very high	92	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	113.8	173.4	-169.4	0	0	0	0	107.7	T31 W33 I107 E108 Y110	T31-V224 HydrophobicContact CG2-CG1 3.66Å; W33-V224 HydrophobicContact CD2-CG1 4.16Å; W33-V224 HydrophobicContact CD2-CG2 3.89Å; W33-V224 HydrophobicContact CE3-CG2 3.52Å; W33-V224 HydrophobicContact CH2-CG1 4.3Å; W33-V224 HydrophobicContact CH2-CG2 3.71Å; W33-V224 HydrophobicContact CZ2-CG1 3.83Å; W33-V224 HydrophobicContact CZ2-CG2 4.07Å; W33-V224 HydrophobicContact CZ3-CG2 3.43Å; W33-V224 VanDerWaalsContact CZ3-CG2 3.43Å; I107-V224 WeakPolarHBondContact CA-O 3.16Å; E108-V224 HydrophobicContact CB-CB 4.23Å; E108-V224 PolarHBondContact N-O 3.03Å; E108-V224 PolarHBondContact O-N 3.43Å; Y110-V224 HydrophobicContact CG-CG2 4.22Å
225	I	92.7	Very high	92.2	Very high	1 Å²	1	11.2 Å²	11.2	1%	0.005	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	102.2	-175.9	-50.7	-179.2	0	0	0	107.2	T31 T32 I34 Y102 H105 T106 I107	T31-I225 CarbonylContact C-O 3.56Å; T31-I225 VanDerWaalsContact CA-O 3.27Å; T31-I225 WeakPolarHBondContact CA-O 3.31Å; T32-I225 PolarHBondContact N-O 3.39Å; T32-I225 PolarHBondContact O-N 3.32Å; T32-I225 WeakPolarHBondContact OG1-CB 3.37Å; I34-I225 HydrophobicContact CD1-CD1 3.61Å; I34-I225 HydrophobicContact CG1-CD1 4.45Å; Y102-I225 HydrophobicContact CD1-CB 4.45Å; Y102-I225 HydrophobicContact CD1-CD1 3.72Å; Y102-I225 HydrophobicContact CD1-CG2 3.59Å; Y102-I225 HydrophobicContact CD2-CD1 3.58Å; Y102-I225 HydrophobicContact CE1-CD1 3.71Å; Y102-I225 HydrophobicContact CE1-CG2 4.13Å; Y102-I225 HydrophobicContact CE2-CD1 3.59Å; Y102-I225 HydrophobicContact CG-CD1 3.64Å; Y102-I225 HydrophobicContact CG-CG2 4.08Å; H105-I225 HydrophobicContact CB-CG2 3.45Å; H105-I225 VanDerWaalsContact CB-CG2 3.45Å; T106-I225 WeakPolarHBondContact O-CA 3.49Å; I107-I225 HydrophobicContact CG1-CG1 4.31Å; I107-I225 HydrophobicContact CG1-CG2 4.34Å; I107-I225 HydrophobicContact CG2-CG1 4.44Å
226	S	90.5	Very high	92.4	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	136	-177.1	57.2	0	0	0	0	111.3	T106 L228 G229	T106-S226 PolarHBondContact N-O 3.32Å; T106-S226 PolarHBondContact O-N 2.58Å; S226-L228 PolarHBondContact O-N 3.5Å; S226-G229 VanDerWaalsContact OG-CA 3.28Å; S226-G229 WeakPolarHBondContact OG-CA 3.39Å
227	P	82.6	Confident	92.5	Very high	5 Å²	5	11.6 Å²	11.6	3%	0.032	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60	130	166.4	-11.7	23.9	0	0	0	108.9	I29 G229 F230 V335	I29-P227 HydrophobicContact CB-CB 4.25Å; I29-P227 HydrophobicContact CB-CG 3.99Å; I29-P227 HydrophobicContact CG2-CB 3.77Å; I29-P227 HydrophobicContact CG2-CG 3.58Å; I29-P227 WeakPolarHBondContact O-CG 3.4Å; P227-G229 PolarHBondContact O-N 2.85Å; P227-F230 PolarHBondContact O-N 2.83Å; P227-V335 HydrophobicContact CB-CB 4.36Å; P227-V335 HydrophobicContact CB-CG1 4.23Å; P227-V335 HydrophobicContact CG-CB 4.32Å
228	L	80.6	Confident	92.7	Very high	71 Å²	71	12 Å²	12	37%	0.372	6%	0.061	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.8	0.4	176.9	-51.2	170.4	0	0	0	116	S226 M262 V329 V335	S226-L228 PolarHBondContact O-N 3.5Å; L228-M262 HydrophobicContact CB-CE 3.9Å; L228-M262 WeakPolarHBondContact O-CG 3.43Å; L228-V329 HydrophobicContact CD1-CG2 3.73Å; L228-V335 HydrophobicContact CD1-CG1 4.4Å
229	G	86.6	Confident	92.9	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.3	24	-173.2	0	0	0	0	0	113.9	T106 S226 P227 S260 N261	T106-G229 VanDerWaalsContact CB-CA 3.48Å; T106-G229 WeakPolarHBondContact OG1-CA 3.3Å; T106-G229 PolarHBondContact OG1-N 2.95Å; S226-G229 VanDerWaalsContact OG-CA 3.28Å; S226-G229 WeakPolarHBondContact OG-CA 3.39Å; P227-G229 PolarHBondContact O-N 2.85Å; G229-S260 CarbonylContact O-C 3.55Å; G229-S260 WeakPolarHBondContact O-CA 3.23Å; G229-N261 PolarHBondContact O-N 3.3Å
230	F	89.6	Confident	93	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	124.2	179.9	-154	-128.3	0	0	0	111.4	P227 L258 V259 M262 A271 F288 M290 L327 V329 V335	P227-F230 PolarHBondContact O-N 2.83Å; F230-L258 HydrophobicContact CE2-CB 4.49Å; F230-L258 HydrophobicContact CZ-CD1 3.93Å; F230-V259 WeakPolarHBondContact CA-O 3.36Å; F230-M262 HydrophobicContact CB-CE 3.41Å; F230-M262 VanDerWaalsContact CB-CE 3.41Å; F230-M262 HydrophobicContact CD2-CE 4.06Å; F230-M262 HydrophobicContact CG-CE 3.79Å; F230-A271 HydrophobicContact CE1-CB 3.58Å; F230-A271 HydrophobicContact CZ-CB 4.16Å; F230-F288 HydrophobicContact CE1-CE2 4.49Å; F230-F288 HydrophobicContact CZ-CE2 4.16Å; F230-M290 HydrophobicContact CD1-CE 4.03Å; F230-M290 HydrophobicContact CD2-CE 4.27Å; F230-M290 HydrophobicContact CE1-CE 4.17Å; F230-M290 HydrophobicContact CE2-CB 4.37Å; F230-M290 HydrophobicContact CE2-CE 4.41Å; F230-M290 HydrophobicContact CG-CE 4.09Å; F230-M290 HydrophobicContact CZ-CB 4.29Å; F230-M290 HydrophobicContact CZ-CE 4.36Å; F230-M290 HydrophobicContact CZ-CG 4.27Å; F230-L327 HydrophobicContact CD1-CD1 4.44Å; F230-L327 HydrophobicContact CD1-CD2 3.67Å; F230-L327 HydrophobicContact CD1-CG 4.16Å; F230-L327 HydrophobicContact CE1-CD1 3.92Å; F230-L327 HydrophobicContact CE1-CD2 3.85Å; F230-L327 HydrophobicContact CE1-CG 4.15Å; F230-L327 HydrophobicContact CG-CD2 4.45Å; F230-V329 HydrophobicContact CD1-CG1 4.01Å; F230-V329 HydrophobicContact CE1-CG1 4.42Å; F230-V335 HydrophobicContact CD1-CG2 4.41Å
231	R	93.3	Very high	93	Very high	7 Å²	7	10.4 Å²	10.4	3%	0.026	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	169	-177.1	62.5	173.5	-178.8	84.4	-7.9	112	T31 E108 L258 V259 D336	T31-R231 HydrophobicContact CG2-CB 4.26Å; E108-R231 IonicContact OE1-NE 2.88Å; E108-R231 IonicContact OE2-CZ 2.62Å; E108-R231 VanDerWaalsContact OE2-CZ 3.27Å; E108-R231 IonicContact OE2-NE 2.75Å; E108-R231 PolarHBondContact OE2-NE 3.39Å; E108-R231 IonicContact OE2-NH2 3.27Å; E108-R231 PolarHBondContact OE2-NH2 3.11Å; R231-L258 WeakPolarHBondContact O-CA 3.47Å; R231-V259 HydrophobicContact CG-CB 3.95Å; R231-V259 PolarHBondContact N-O 3.43Å; R231-V259 VanDerWaalsContact N-O 3.08Å; R231-V259 PolarHBondContact O-N 2.99Å; R231-D336 HydrophobicContact CB-CB 4.49Å; R231-D336 WeakPolarHBondContact CB-OD2 3.33Å
232	F	95.6	Very high	92.7	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	144	165.7	-67	-63.9	0	0	0	111	V256 L258 I273 L325 L327 D336 K338	F232-V256 HydrophobicContact CD1-CG1 3.46Å; F232-V256 VanDerWaalsContact CD1-CG1 3.46Å; F232-V256 HydrophobicContact CE1-CG1 3.73Å; F232-L258 HydrophobicContact CD1-CD2 3.78Å; F232-L258 HydrophobicContact CE1-CD2 4.14Å; F232-I273 HydrophobicContact CE1-CD1 3.98Å; F232-I273 HydrophobicContact CE1-CG1 3.95Å; F232-I273 HydrophobicContact CZ-CG1 4.25Å; F232-I273 HydrophobicContact CZ-CG2 4.43Å; F232-L325 HydrophobicContact CE1-CB 4.48Å; F232-L325 HydrophobicContact CE2-CB 4.17Å; F232-L325 HydrophobicContact CZ-CB 3.77Å; F232-L327 HydrophobicContact CD2-CB 4.29Å; F232-L327 HydrophobicContact CE1-CB 4.2Å; F232-L327 HydrophobicContact CE2-CB 3.62Å; F232-L327 HydrophobicContact CZ-CB 3.58Å; F232-D336 HydrophobicContact CD2-CB 3.86Å; F232-D336 WeakPolarHBondContact CD2-OD2 3.5Å; F232-D336 HydrophobicContact CE2-CB 4.26Å; F232-D336 PolarHBondContact N-OD2 2.99Å; F232-K338 HydrophobicContact CB-CG 3.77Å; F232-K338 HydrophobicContact CD2-CB 4.05Å; F232-K338 HydrophobicContact CD2-CG 3.56Å; F232-K338 HydrophobicContact CE2-CB 4.41Å; F232-K338 HydrophobicContact CE2-CG 4.38Å; F232-K338 HydrophobicContact CG-CG 3.88Å
233	G	94.8	Very high	92	Very high	3 Å²	3	11.5 Å²	11.5	3%	0.031	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	-163.7	170.2	0	0	0	0	0	113	E257	G233-E257 PolarHBondContact N-O 2.71Å
234	E	93.5	Very high	90.7	Very high	41 Å²	41	20.1 Å²	20.1	19%	0.192	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	-33.9	175.2	-74.4	177	-151.5	0	0	111.9	Y110 S136 F236 E257 R471	Y110-E234 WeakPolarHBondContact CE2-OE1 3.38Å; Y110-E234 VanDerWaalsContact OH-CD 3.28Å; Y110-E234 PolarHBondContact OH-OE1 3.43Å; S136-E234 WeakPolarHBondContact CB-OE1 3.45Å; S136-E234 PolarHBondContact OG-OE1 3.39Å; E234-F236 PolarHBondContact O-N 2.96Å; E234-E257 PolarHBondContact N-OE2 2.87Å; E234-R471 IonicContact OE1-NH2 2.72Å; E234-R471 IonicContact OE2-CZ 2.9Å; E234-R471 IonicContact OE2-NE 3.65Å; E234-R471 PolarHBondContact OE2-NE 3.26Å; E234-R471 IonicContact OE2-NH2 3.67Å; E234-R471 PolarHBondContact OE2-NH2 3.1Å
235	G	95	Very high	89.1	Confident	4 Å²	4	24.3 Å²	24.3	4%	0.041	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	115.6	-178.2	0	0	0	0	0	111.6	E257 S474	G235-E257 PolarHBondContact N-OE2 3.28Å; G235-E257 WeakPolarHBondContact O-CB 3.37Å; G235-E257 PolarHBondContact O-N 2.65Å; G235-S474 VanDerWaalsContact CA-OG 3.24Å; G235-S474 WeakPolarHBondContact CA-OG 3.38Å
236	F	96.9	Very high	87.7	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	111.7	175.5	177.4	-103.6	0	0	0	109.9	E234 F238 I254 D255 V256 L323 L325 Y340 I342 S474 Y478	E234-F236 PolarHBondContact O-N 2.96Å; F236-F238 HydrophobicContact CE1-CB 4.08Å; F236-F238 HydrophobicContact CZ-CB 4.3Å; F236-I254 HydrophobicContact CE2-CB 3.82Å; F236-I254 HydrophobicContact CE2-CD1 4.04Å; F236-I254 HydrophobicContact CE2-CG1 4.49Å; F236-I254 HydrophobicContact CE2-CG2 3.73Å; F236-I254 HydrophobicContact CZ-CB 4.27Å; F236-I254 HydrophobicContact CZ-CG2 3.68Å; F236-D255 WeakPolarHBondContact CA-O 3.34Å; F236-V256 HydrophobicContact CD2-CG2 4Å; F236-V256 HydrophobicContact CE2-CG2 4.13Å; F236-L323 HydrophobicContact CE2-CD2 4.33Å; F236-L323 HydrophobicContact CZ-CD2 3.69Å; F236-L325 HydrophobicContact CD2-CD1 4.39Å; F236-L325 HydrophobicContact CE2-CD1 4Å; F236-Y340 HydrophobicContact CB-CD1 4.32Å; F236-Y340 HydrophobicContact CB-CE1 3.54Å; F236-Y340 HydrophobicContact CB-CE2 4.47Å; F236-Y340 AromaticContact CD1-CD1 3.28Å; F236-Y340 HydrophobicContact CD1-CD1 3.28Å; F236-Y340 HydrophobicContact CD1-CD2 4.02Å; F236-Y340 AromaticContact CD1-CE1 3.42Å; F236-Y340 HydrophobicContact CD1-CE1 3.42Å; F236-Y340 VanDerWaalsContact CD1-CE1 3.42Å; F236-Y340 HydrophobicContact CD1-CE2 4.14Å; F236-Y340 AromaticContact CD1-CG 3.6Å; F236-Y340 HydrophobicContact CD1-CG 3.6Å; F236-Y340 AromaticContact CD1-CZ 3.86Å; F236-Y340 HydrophobicContact CD2-CD2 4.13Å; F236-Y340 HydrophobicContact CD2-CE1 4.19Å; F236-Y340 AromaticContact CD2-CE2 3.72Å; F236-Y340 HydrophobicContact CD2-CE2 3.72Å; F236-Y340 AromaticContact CD2-CZ 3.75Å; F236-Y340 AromaticContact CE1-CD1 3.69Å; F236-Y340 HydrophobicContact CE1-CD1 3.69Å; F236-Y340 AromaticContact CE1-CD2 3.88Å; F236-Y340 HydrophobicContact CE1-CD2 3.88Å; F236-Y340 HydrophobicContact CE1-CE1 4.21Å; F236-Y340 HydrophobicContact CE1-CE2 4.38Å; F236-Y340 AromaticContact CE1-CG 3.5Å; F236-Y340 HydrophobicContact CE1-CG 3.5Å; F236-Y340 AromaticContact CE2-CD2 3.99Å; F236-Y340 HydrophobicContact CE2-CD2 3.99Å; F236-Y340 AromaticContact CE2-CE2 3.98Å; F236-Y340 HydrophobicContact CE2-CE2 3.98Å; F236-Y340 HydrophobicContact CE2-CG 4.45Å; F236-Y340 AromaticContact CG-CD1 3.8Å; F236-Y340 HydrophobicContact CG-CD1 3.8Å; F236-Y340 HydrophobicContact CG-CD2 4.17Å; F236-Y340 AromaticContact CG-CE1 3.42Å; F236-Y340 HydrophobicContact CG-CE1 3.42Å; F236-Y340 VanDerWaalsContact CG-CE1 3.42Å; F236-Y340 AromaticContact CG-CE2 3.83Å; F236-Y340 HydrophobicContact CG-CE2 3.83Å; F236-Y340 HydrophobicContact CG-CG 4.15Å; F236-Y340 AromaticContact CG-CZ 3.44Å; F236-Y340 VanDerWaalsContact CG-CZ 3.44Å; F236-Y340 HydrophobicContact CZ-CD1 4.5Å; F236-Y340 AromaticContact CZ-CD2 3.89Å; F236-Y340 HydrophobicContact CZ-CD2 3.89Å; F236-Y340 HydrophobicContact CZ-CE2 4.32Å; F236-Y340 AromaticContact CZ-CG 3.98Å; F236-Y340 HydrophobicContact CZ-CG 3.98Å; F236-I342 HydrophobicContact CE1-CG2 4.23Å; F236-S474 CarbonylContact C-O 3.56Å; F236-S474 PolarHBondContact N-O 3.41Å; F236-S474 VanDerWaalsContact O-O 3.1Å; F236-Y478 VanDerWaalsContact CD1-CB 3.48Å; F236-Y478 AromaticContact CD1-CD1 3.64Å; F236-Y478 HydrophobicContact CD1-CD1 3.64Å; F236-Y478 HydrophobicContact CD1-CD2 4.25Å; F236-Y478 HydrophobicContact CD1-CE1 4.42Å; F236-Y478 AromaticContact CD1-CG 3.53Å; F236-Y478 HydrophobicContact CD1-CG 3.53Å; F236-Y478 HydrophobicContact CE1-CD1 4.43Å; F236-Y478 HydrophobicContact CE1-CD2 4.33Å; F236-Y478 AromaticContact CE1-CG 3.87Å; F236-Y478 HydrophobicContact CE1-CG 3.87Å
237	K	96.6	Very high	86.6	Confident	11 Å²	11	40.9 Å²	40.9	5%	0.048	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	133.7	178.9	-52.9	-179.2	-178.7	176.5	0	109.2	Y239 I254 D255 S474 H477 E527	K237-Y239 HydrophobicContact CB-CE1 4.39Å; K237-Y239 HydrophobicContact CB-CE2 3.83Å; K237-Y239 WeakPolarHBondContact CD-OH 3.5Å; K237-I254 CarbonylContact O-C 3.48Å; K237-I254 WeakPolarHBondContact O-CA 3.23Å; K237-I254 WeakPolarHBondContact O-CB 3.41Å; K237-D255 HydrophobicContact CB-CB 4.14Å; K237-D255 HydrophobicContact CD-CB 4.42Å; K237-D255 HydrophobicContact CG-CB 4.46Å; K237-D255 PolarHBondContact N-O 2.98Å; K237-D255 PolarHBondContact O-N 3.01Å; K237-S474 WeakPolarHBondContact CE-OG 3.4Å; K237-H477 HydrophobicContact CB-CB 4.03Å; K237-H477 HydrophobicContact CG-CB 3.78Å; K237-E527 WeakPolarHBondContact CE-O 3.43Å; K237-E527 WeakPolarHBondContact CE-OE2 3.45Å; K237-E527 PolarHBondContact NZ-O 3.39Å; K237-E527 IonicContact NZ-OE2 3.59Å; K237-E527 PolarHBondContact NZ-OE2 2.86Å
238	F	96.7	Very high	86.6	Confident	9 Å²	9	44.4 Å²	44.4	4%	0.039	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	122.2	176.8	178.9	-102.6	0	0	0	109.6	F236 A240 A252 I254 V299 I342 F344 H477	F236-F238 HydrophobicContact CE1-CB 4.08Å; F236-F238 HydrophobicContact CZ-CB 4.3Å; F238-A240 HydrophobicContact CD1-CB 4.38Å; F238-A240 HydrophobicContact CE1-CB 3.64Å; F238-A240 HydrophobicContact CZ-CB 4.12Å; F238-A252 HydrophobicContact CE2-CB 3.55Å; F238-A252 HydrophobicContact CZ-CB 3.59Å; F238-I254 HydrophobicContact CD2-CG2 3.73Å; F238-V299 HydrophobicContact CE2-CG2 4.2Å; F238-I342 HydrophobicContact CB-CG2 4.34Å; F238-I342 HydrophobicContact CD1-CB 4.14Å; F238-I342 HydrophobicContact CD1-CG2 4.22Å; F238-I342 HydrophobicContact CD2-CB 4.36Å; F238-I342 HydrophobicContact CD2-CD1 4.11Å; F238-I342 HydrophobicContact CD2-CG2 3.98Å; F238-I342 HydrophobicContact CE1-CB 4.03Å; F238-I342 HydrophobicContact CE1-CD1 4.28Å; F238-I342 HydrophobicContact CE2-CB 4.3Å; F238-I342 HydrophobicContact CE2-CD1 3.41Å; F238-I342 VanDerWaalsContact CE2-CD1 3.41Å; F238-I342 HydrophobicContact CE2-CG1 4.44Å; F238-I342 HydrophobicContact CE2-CG2 4.35Å; F238-I342 HydrophobicContact CG-CB 4.3Å; F238-I342 HydrophobicContact CG-CG2 3.93Å; F238-I342 HydrophobicContact CZ-CB 4.14Å; F238-I342 HydrophobicContact CZ-CD1 3.52Å; F238-I342 HydrophobicContact CZ-CG1 4.35Å; F238-F344 HydrophobicContact CZ-CD1 4.31Å; F238-F344 AromaticContact CZ-CE1 3.83Å; F238-F344 HydrophobicContact CZ-CE1 3.83Å; F238-F344 HydrophobicContact CZ-CE2 4.21Å; F238-F344 AromaticContact CZ-CZ 3.75Å; F238-F344 HydrophobicContact CZ-CZ 3.75Å; F238-H477 PolarHBondContact N-ND1 3.25Å; F238-H477 PolarHBondContact O-CE1 2.92Å; F238-H477 VanDerWaalsContact O-CE1 3.24Å; F238-H477 PolarHBondContact O-ND1 3.37Å
239	Y	95.5	Very high	87.2	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	99.7	-177.6	-50.5	-82.3	0	0	0	109	K237 A252 E253 D255 H477 G530 R535 Y542	K237-Y239 HydrophobicContact CB-CE1 4.39Å; K237-Y239 HydrophobicContact CB-CE2 3.83Å; K237-Y239 WeakPolarHBondContact CD-OH 3.5Å; Y239-A252 CarbonylContact O-C 3.48Å; Y239-A252 WeakPolarHBondContact O-CA 3.39Å; Y239-E253 HydrophobicContact CD2-CB 4.24Å; Y239-E253 PolarHBondContact N-O 2.86Å; Y239-E253 PolarHBondContact O-N 3Å; Y239-D255 HydrophobicContact CE2-CB 4.26Å; Y239-D255 VanDerWaalsContact CE2-OD2 3.3Å; Y239-D255 WeakPolarHBondContact CE2-OD2 3.02Å; Y239-D255 PolarHBondContact OH-OD2 3.4Å; Y239-H477 AromaticContact CD1-CE1 3.45Å; Y239-H477 VanDerWaalsContact CD1-CE1 3.45Å; Y239-H477 WeakPolarHBondContact CD1-CE1 3.4Å; Y239-H477 AromaticContact CD1-NE2 3.8Å; Y239-H477 AromaticContact CE1-CE1 3.38Å; Y239-H477 WeakPolarHBondContact CE1-CE1 3.48Å; Y239-H477 AromaticContact CE1-NE2 3.36Å; Y239-H477 WeakPolarHBondContact CE1-NE2 3.42Å; Y239-G530 WeakPolarHBondContact OH-CA 3.28Å; Y239-R535 VanDerWaalsContact CG-NH2 3.3Å; Y239-R535 VanDerWaalsContact CZ-NH1 3.29Å; Y239-Y542 AromaticContact CD1-CD1 3.62Å; Y239-Y542 HydrophobicContact CD1-CD1 3.62Å; Y239-Y542 HydrophobicContact CD1-CD2 4.38Å; Y239-Y542 AromaticContact CD1-CE1 3.75Å; Y239-Y542 HydrophobicContact CD1-CE1 3.75Å; Y239-Y542 AromaticContact CD1-CG 3.95Å; Y239-Y542 HydrophobicContact CD1-CG 3.95Å; Y239-Y542 HydrophobicContact CE1-CD1 4.35Å; Y239-Y542 HydrophobicContact CE1-CE1 4.31Å; Y239-Y542 HydrophobicContact CG-CG 4.49Å
240	A	94.9	Very high	87.5	Confident	6 Å²	6	43 Å²	43	5%	0.05	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	133.4	173.2	0	0	0	0	0	110.6	F238 W250 F344 Y542	F238-A240 HydrophobicContact CD1-CB 4.38Å; F238-A240 HydrophobicContact CE1-CB 3.64Å; F238-A240 HydrophobicContact CZ-CB 4.12Å; A240-W250 HydrophobicContact CB-CE3 4.33Å; A240-W250 HydrophobicContact CB-CZ3 4.17Å; A240-F344 HydrophobicContact CB-CD1 3.78Å; A240-F344 HydrophobicContact CB-CE1 4.41Å; A240-F344 HydrophobicContact CB-CG 4.4Å; A240-Y542 WeakPolarHBondContact O-CD2 3.25Å
241	Y	92.8	Very high	87.8	Confident	8 Å²	8	43.1 Å²	43.1	3%	0.031	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	151.9	179.3	54.9	-93.6	0	0	0	112.1	W250 S251 E253 K541	Y241-W250 WeakPolarHBondContact O-CA 3.35Å; Y241-S251 PolarHBondContact N-O 3.28Å; Y241-S251 PolarHBondContact O-N 3.15Å; Y241-E253 HydrophobicContact CE1-CG 4.24Å; Y241-E253 PolarHBondContact OH-OE1 3.35Å; Y241-K541 VanDerWaalsContact CB-O 3.28Å; Y241-K541 WeakPolarHBondContact CB-O 3.49Å; Y241-K541 HydrophobicContact CD1-CB 4.38Å; Y241-K541 HydrophobicContact CD2-CB 3.51Å; Y241-K541 HydrophobicContact CD2-CD 4.27Å; Y241-K541 HydrophobicContact CD2-CG 4.48Å; Y241-K541 HydrophobicContact CE2-CB 3.66Å; Y241-K541 HydrophobicContact CE2-CD 3.64Å; Y241-K541 HydrophobicContact CE2-CG 4.28Å; Y241-K541 HydrophobicContact CG-CB 3.89Å
242	S	90.4	Very high	87.9	Confident	17 Å²	17	42.8 Å²	42.8	12%	0.119	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	145.3	177	76.7	0	0	0	0	112	K248 L249 E346	S242-K248 WeakPolarHBondContact OG-CE 3.48Å; S242-L249 WeakPolarHBondContact CA-O 3.26Å; S242-E346 WeakPolarHBondContact CB-OE1 3.44Å; S242-E346 PolarHBondContact N-OE1 3.06Å; S242-E346 PolarHBondContact OG-OE1 2.92Å; S242-E346 PolarHBondContact OG-OE2 3.46Å
243	Q	82.5	Confident	87.8	Confident	54 Å²	54	44.7 Å²	44.7	25%	0.252	21%	0.213	S	C	.	.			trans	-85.5	134.8	169.4	-67.3	172.7	9.3	0	0	109.3	N245 L249 N302	Q243-N245 PolarHBondContact O-N 3.19Å; Q243-N245 PolarHBondContact OE1-ND2 2.96Å; Q243-L249 PolarHBondContact N-O 3.04Å; Q243-N302 PolarHBondContact NE2-OD1 2.83Å
244	Q	68.7	Low	87.9	Confident	186 Å²	186	44.5 Å²	44.5	87%	0.869	21%	0.212	S	C	*	.			trans	-72.6	66.9	171.2	-71.1	-171.5	-15.5	0	0	110.8
245	N	61.2	Low	88	Confident	87 Å²	87	43 Å²	43	47%	0.465	21%	0.205	S	C	.	.	S	Bend	trans	-111.3	163.1	172	-62.8	-3.1	0	0	0	108.9	Q243 F247 K248	Q243-N245 PolarHBondContact O-N 3.19Å; Q243-N245 PolarHBondContact OE1-ND2 2.96Å; N245-F247 PolarHBondContact O-N 3.43Å; N245-K248 PolarHBondContact O-N 3.26Å
246	Q	63.7	Low	88	Confident	189 Å²	189	42.9 Å²	42.9	88%	0.883	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.3	-28.3	178.4	-72.9	-178.2	-15.5	0	0	114
247	F	66.7	Low	88	Confident	160 Å²	160	46.3 Å²	46.3	70%	0.702	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.7	3.3	-177.5	-57.3	-73.9	0	0	0	115.3	N245 L249	N245-F247 PolarHBondContact O-N 3.43Å; F247-L249 HydrophobicContact CB-CD2 4.26Å; F247-L249 HydrophobicContact CB-CG 4.49Å
248	K	82.9	Confident	87.9	Confident	79 Å²	79	46.2 Å²	46.2	34%	0.343	22%	0.219	S	C	.	.			trans	35.3	76.5	-172.6	-164.1	172.1	-172.9	174	0	113.3	S242 N245 E346	S242-K248 WeakPolarHBondContact OG-CE 3.48Å; N245-K248 PolarHBondContact O-N 3.26Å; K248-E346 IonicContact NZ-OE2 3.67Å; K248-E346 PolarHBondContact NZ-OE2 2.92Å
249	L	92.5	Very high	87.7	Confident	35 Å²	35	47.1 Å²	47.1	18%	0.183	23%	0.226	C	C	.	.			trans	-83.4	135.7	-179.7	-59.6	176.2	0	0	0	111.1	S242 Q243 F247 N302	S242-L249 WeakPolarHBondContact CA-O 3.26Å; Q243-L249 PolarHBondContact N-O 3.04Å; F247-L249 HydrophobicContact CB-CD2 4.26Å; F247-L249 HydrophobicContact CB-CG 4.49Å; L249-N302 HydrophobicContact CB-CB 4.45Å; L249-N302 HydrophobicContact CD1-CB 4.14Å
250	W	94.5	Very high	87.4	Confident	8 Å²	8	49.8 Å²	49.8	3%	0.03	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	143.4	179.6	-74.3	82.1	0	0	0	112.2	A240 Y241 L300 N302 Q303 V306 L308 F344 E346	A240-W250 HydrophobicContact CB-CE3 4.33Å; A240-W250 HydrophobicContact CB-CZ3 4.17Å; Y241-W250 WeakPolarHBondContact O-CA 3.35Å; W250-L300 HydrophobicContact CB-CD2 4.49Å; W250-L300 WeakPolarHBondContact O-CD2 3.1Å; W250-N302 CarbonylContact O-C 3.58Å; W250-N302 WeakPolarHBondContact O-CA 3.12Å; W250-N302 PolarHBondContact O-N 2.87Å; W250-Q303 PolarHBondContact N-O 2.53Å; W250-Q303 PolarHBondContact O-N 2.72Å; W250-V306 HydrophobicContact CB-CB 4.14Å; W250-V306 HydrophobicContact CB-CG1 4.42Å; W250-V306 HydrophobicContact CB-CG2 3.84Å; W250-V306 HydrophobicContact CG-CB 4.11Å; W250-V306 HydrophobicContact CG-CG1 4.2Å; W250-V306 HydrophobicContact CG-CG2 4.35Å; W250-L308 HydrophobicContact CD2-CD2 4.17Å; W250-L308 HydrophobicContact CH2-CD2 4.01Å; W250-L308 HydrophobicContact CZ2-CD1 3.96Å; W250-L308 HydrophobicContact CZ2-CD2 3.25Å; W250-L308 HydrophobicContact CZ2-CG 4.25Å; W250-F344 HydrophobicContact CE3-CB 4.22Å; W250-F344 HydrophobicContact CE3-CD1 4.07Å; W250-F344 HydrophobicContact CZ3-CB 4.35Å; W250-E346 HydrophobicContact CH2-CG 3.88Å; W250-E346 HydrophobicContact CZ3-CG 4.31Å
251	S	94.5	Very high	86.8	Confident	2 Å²	2	52 Å²	52	1%	0.014	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	158.6	168.3	-54.5	0	0	0	0	109.3	Y241 L300 N302	Y241-S251 PolarHBondContact N-O 3.28Å; Y241-S251 PolarHBondContact O-N 3.15Å; S251-L300 CarbonylContact C-O 3.57Å; S251-L300 WeakPolarHBondContact CA-O 3.48Å; S251-L300 WeakPolarHBondContact CB-O 3.45Å; S251-N302 PolarHBondContact OG-N 2.84Å
252	A	95.3	Very high	85.9	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	143.4	174.4	0	0	0	0	0	113	F238 Y239 V299 L300 F344	F238-A252 HydrophobicContact CE2-CB 3.55Å; F238-A252 HydrophobicContact CZ-CB 3.59Å; Y239-A252 CarbonylContact O-C 3.48Å; Y239-A252 WeakPolarHBondContact O-CA 3.39Å; A252-V299 HydrophobicContact CB-CG2 3.9Å; A252-V299 WeakPolarHBondContact O-CG2 3.37Å; A252-V299 PolarHBondContact O-N 3.22Å; A252-L300 HydrophobicContact CB-CB 4.25Å; A252-L300 PolarHBondContact N-O 2.63Å; A252-L300 PolarHBondContact O-N 3.18Å; A252-F344 HydrophobicContact CB-CE1 3.82Å; A252-F344 HydrophobicContact CB-CZ 4.42Å
253	E	94.8	Very high	84.5	Confident	39 Å²	39	60.1 Å²	60.1	18%	0.182	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	156.6	174	-72.2	165	-153.2	0	0	110	Y239 Y241 M297 E298 R535	Y239-E253 HydrophobicContact CD2-CB 4.24Å; Y239-E253 PolarHBondContact N-O 2.86Å; Y239-E253 PolarHBondContact O-N 3Å; Y241-E253 HydrophobicContact CE1-CG 4.24Å; Y241-E253 PolarHBondContact OH-OE1 3.35Å; E253-M297 CarbonylContact C-O 3.58Å; E253-M297 VanDerWaalsContact CA-O 3.29Å; E253-M297 WeakPolarHBondContact CA-O 3.27Å; E253-E298 HydrophobicContact CG-CB 4.33Å; E253-R535 IonicContact OE2-CZ 3.32Å; E253-R535 IonicContact OE2-NE 2.95Å; E253-R535 IonicContact OE2-NH2 2.71Å; E253-R535 PolarHBondContact OE2-NH2 3.12Å
254	I	96	Very high	83.4	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	148.5	172.2	62.5	178.5	0	0	0	111.1	F236 K237 F238 V256 T296 M297 V299 L323 L325	F236-I254 HydrophobicContact CE2-CB 3.82Å; F236-I254 HydrophobicContact CE2-CD1 4.04Å; F236-I254 HydrophobicContact CE2-CG1 4.49Å; F236-I254 HydrophobicContact CE2-CG2 3.73Å; F236-I254 HydrophobicContact CZ-CB 4.27Å; F236-I254 HydrophobicContact CZ-CG2 3.68Å; K237-I254 CarbonylContact O-C 3.48Å; K237-I254 WeakPolarHBondContact O-CA 3.23Å; K237-I254 WeakPolarHBondContact O-CB 3.41Å; F238-I254 HydrophobicContact CD2-CG2 3.73Å; I254-V256 HydrophobicContact CB-CG2 4.29Å; I254-V256 HydrophobicContact CD1-CG2 3.44Å; I254-V256 VanDerWaalsContact CD1-CG2 3.44Å; I254-V256 HydrophobicContact CG1-CG2 3.81Å; I254-T296 CarbonylContact O-C 3.6Å; I254-T296 WeakPolarHBondContact O-CA 3.45Å; I254-M297 HydrophobicContact CD1-CG 3.63Å; I254-M297 HydrophobicContact CD1-SD 3.93Å; I254-M297 HydrophobicContact CG1-CG 3.37Å; I254-M297 HydrophobicContact CG1-SD 4.35Å; I254-M297 PolarHBondContact N-O 3.33Å; I254-M297 PolarHBondContact O-N 2.89Å; I254-V299 HydrophobicContact CB-CG1 4.46Å; I254-V299 HydrophobicContact CD1-CG1 3.54Å; I254-V299 HydrophobicContact CG1-CG1 3.72Å; I254-V299 HydrophobicContact CG2-CG1 4Å; I254-V299 HydrophobicContact CG2-CG2 4.12Å; I254-L323 HydrophobicContact CG2-CD2 4.12Å; I254-L325 HydrophobicContact CD1-CD1 3.88Å; I254-L325 HydrophobicContact CD1-CD2 3.85Å
255	D	95.4	Very high	82.9	Confident	9 Å²	9	58.8 Å²	58.8	5%	0.048	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	128.8	156.6	-66.7	-30.2	0	0	0	108.3	F236 K237 Y239 V294 I295 T296	F236-D255 WeakPolarHBondContact CA-O 3.34Å; K237-D255 HydrophobicContact CB-CB 4.14Å; K237-D255 HydrophobicContact CD-CB 4.42Å; K237-D255 HydrophobicContact CG-CB 4.46Å; K237-D255 PolarHBondContact N-O 2.98Å; K237-D255 PolarHBondContact O-N 3.01Å; Y239-D255 HydrophobicContact CE2-CB 4.26Å; Y239-D255 VanDerWaalsContact CE2-OD2 3.3Å; Y239-D255 WeakPolarHBondContact CE2-OD2 3.02Å; Y239-D255 PolarHBondContact OH-OD2 3.4Å; D255-V294 HydrophobicContact CB-CG1 3.96Å; D255-I295 WeakPolarHBondContact CA-O 3.25Å; D255-T296 WeakPolarHBondContact OD1-CA 3.18Å; D255-T296 VanDerWaalsContact OD1-CB 3.22Å; D255-T296 WeakPolarHBondContact OD1-CB 3.44Å; D255-T296 VanDerWaalsContact OD1-CG2 3.3Å; D255-T296 WeakPolarHBondContact OD1-CG2 3.5Å; D255-T296 PolarHBondContact OD1-OG1 3.47Å
256	V	96.4	Very high	82.8	Confident	1 Å²	1	59.3 Å²	59.3	1%	0.006	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	124.3	-179.6	-166.6	0	0	0	0	109.8	F232 F236 I254 V294 I295 L325	F232-V256 HydrophobicContact CD1-CG1 3.46Å; F232-V256 VanDerWaalsContact CD1-CG1 3.46Å; F232-V256 HydrophobicContact CE1-CG1 3.73Å; F236-V256 HydrophobicContact CD2-CG2 4Å; F236-V256 HydrophobicContact CE2-CG2 4.13Å; I254-V256 HydrophobicContact CB-CG2 4.29Å; I254-V256 HydrophobicContact CD1-CG2 3.44Å; I254-V256 VanDerWaalsContact CD1-CG2 3.44Å; I254-V256 HydrophobicContact CG1-CG2 3.81Å; V256-V294 WeakPolarHBondContact O-CA 3.18Å; V256-I295 PolarHBondContact N-O 3.16Å; V256-I295 PolarHBondContact O-N 2.77Å; V256-L325 HydrophobicContact CG1-CD1 4.28Å; V256-L325 HydrophobicContact CG2-CD1 3.83Å
257	E	95.6	Very high	82.4	Confident	73 Å²	73	61.9 Å²	61.9	34%	0.341	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	142.3	172.5	-172.4	-173.6	-167.3	0	0	111.2	G233 E234 G235 K293	G233-E257 PolarHBondContact N-O 2.71Å; E234-E257 PolarHBondContact N-OE2 2.87Å; G235-E257 PolarHBondContact N-OE2 3.28Å; G235-E257 WeakPolarHBondContact O-CB 3.37Å; G235-E257 PolarHBondContact O-N 2.65Å; E257-K293 CarbonylContact C-O 3.58Å; E257-K293 WeakPolarHBondContact CA-O 3.48Å
258	L	95	Very high	81.9	Confident	8 Å²	8	61.1 Å²	61.1	4%	0.042	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	138.4	174.3	-61.8	175.7	0	0	0	110.2	F230 R231 F232 I273 F288 K293 I295 L327	F230-L258 HydrophobicContact CE2-CB 4.49Å; F230-L258 HydrophobicContact CZ-CD1 3.93Å; R231-L258 WeakPolarHBondContact O-CA 3.47Å; F232-L258 HydrophobicContact CD1-CD2 3.78Å; F232-L258 HydrophobicContact CE1-CD2 4.14Å; L258-I273 HydrophobicContact CD2-CD1 4.44Å; L258-F288 HydrophobicContact CD1-CD2 4.23Å; L258-F288 HydrophobicContact CD1-CE2 3.27Å; L258-F288 HydrophobicContact CD1-CZ 3.54Å; L258-K293 PolarHBondContact N-O 2.97Å; L258-I295 HydrophobicContact CD1-CD1 4.37Å; L258-I295 HydrophobicContact CD1-CG1 3.57Å; L258-I295 HydrophobicContact CG-CG1 4.39Å; L258-L327 HydrophobicContact CD2-CD1 4.19Å; L258-L327 HydrophobicContact CD2-CD2 4.03Å
259	V	92.4	Very high	81.4	Confident	29 Å²	29	58.8 Å²	58.8	18%	0.176	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	126	172.3	-180	0	0	0	0	108.3	F230 R231	F230-V259 WeakPolarHBondContact CA-O 3.36Å; R231-V259 HydrophobicContact CG-CB 3.95Å; R231-V259 PolarHBondContact N-O 3.43Å; R231-V259 VanDerWaalsContact N-O 3.08Å; R231-V259 PolarHBondContact O-N 2.99Å
260	S	89	Confident	81.1	Confident	56 Å²	56	64 Å²	64	39%	0.392	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	111.9	-178.2	-171.3	0	0	0	0	110.5	G229	G229-S260 CarbonylContact O-C 3.55Å; G229-S260 WeakPolarHBondContact O-CA 3.23Å
261	N	83.4	Confident	81	Confident	52 Å²	52	63.6 Å²	63.6	28%	0.278	32%	0.318	S	S	.	.			trans	-124.5	30	-177.5	-82.6	-32.2	0	0	0	112.1	T106 E108 K140 G229	T106-N261 HydrophobicContact CG2-CB 4.2Å; E108-N261 PolarHBondContact OE1-ND2 3.12Å; K140-N261 HydrophobicContact CD-CB 4.38Å; K140-N261 PolarHBondContact NZ-O 3.49Å; G229-N261 PolarHBondContact O-N 3.3Å
262	M	73.7	Confident	81	Confident	46 Å²	46	64 Å²	64	23%	0.227	32%	0.32	C	S	.	.			trans	-63.1	148.9	-176.1	-54.7	-153.2	155.3	0	0	113.1	L228 F230 Y265 M290	L228-M262 HydrophobicContact CB-CE 3.9Å; L228-M262 WeakPolarHBondContact O-CG 3.43Å; F230-M262 HydrophobicContact CB-CE 3.41Å; F230-M262 VanDerWaalsContact CB-CE 3.41Å; F230-M262 HydrophobicContact CD2-CE 4.06Å; F230-M262 HydrophobicContact CG-CE 3.79Å; M262-Y265 HydrophobicContact SD-CG 4.2Å; M262-M290 HydrophobicContact CE-CE 3.03Å; M262-M290 HydrophobicContact SD-CE 3.52Å; M262-M290 VanDerWaalsContact SD-CE 3.52Å
263	L	61	Low	81.1	Confident	150 Å²	150	64 Å²	64	79%	0.785	32%	0.32	S	S	*	.	S	Bend	trans	-84.8	-39.4	179.2	-72.8	165.1	0	0	0	113	K140	K140-L263 VanDerWaalsContact NZ-CD2 3.35Å
264	S	58.3	Low	81.1	Confident	108 Å²	108	63.5 Å²	63.5	76%	0.755	32%	0.317	S	S	*	.			trans	-171.1	125.7	179.9	48.1	0	0	0	0	107.9
265	Y	59.7	Low	81.2	Confident	104 Å²	104	63.7 Å²	63.7	41%	0.408	32%	0.319	S	S	.	.			trans	-145.7	150.2	177.2	-162.3	-110.1	0	0	0	110.7	M262 R267 S269 M290	M262-Y265 HydrophobicContact SD-CG 4.2Å; Y265-R267 PolarHBondContact O-N 3.4Å; Y265-S269 WeakPolarHBondContact CE1-OG 3.45Å; Y265-S269 VanDerWaalsContact CZ-CB 3.45Å; Y265-S269 WeakPolarHBondContact OH-CB 3.49Å; Y265-S269 PolarHBondContact OH-OG 3.04Å; Y265-M290 HydrophobicContact CD1-CE 4.44Å; Y265-M290 HydrophobicContact CD1-SD 3.81Å; Y265-M290 HydrophobicContact CE1-CE 4.37Å; Y265-M290 HydrophobicContact CE1-SD 3.49Å; Y265-M290 WeakPolarHBondContact CE1-SD 3.35Å
266	D	58.7	Low	81.3	Confident	97 Å²	97	65.2 Å²	65.2	52%	0.519	32%	0.324	S	S	.	.			trans	-66.4	120.5	176.1	-171.9	-2.1	0	0	0	109	L268 S269	D266-L268 PolarHBondContact O-N 2.97Å; D266-L268 PolarHBondContact OD1-N 3.41Å; D266-S269 PolarHBondContact O-N 3.15Å; D266-S269 VanDerWaalsContact O-N 3.1Å; D266-S269 PolarHBondContact O-OG 3.15Å
267	R	55.3	Low	81.4	Confident	244 Å²	244	65.2 Å²	65.2	92%	0.921	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-16.2	179.3	-62.8	-172.1	-156.8	-177	6.4	112.3	Y265	Y265-R267 PolarHBondContact O-N 3.4Å
268	L	55.4	Low	81.2	Confident	144 Å²	144	68.3 Å²	68.3	75%	0.754	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-15.8	-179.7	-70.9	169.1	0	0	0	115.3	D266	D266-L268 PolarHBondContact O-N 2.97Å; D266-L268 PolarHBondContact OD1-N 3.41Å
269	S	73.2	Confident	81.1	Confident	29 Å²	29	72.2 Å²	72.2	20%	0.203	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-87.6	141.6	-172.7	-6.5	0	0	0	0	114.4	Y265 D266	Y265-S269 WeakPolarHBondContact CE1-OG 3.45Å; Y265-S269 VanDerWaalsContact CZ-CB 3.45Å; Y265-S269 WeakPolarHBondContact OH-CB 3.49Å; Y265-S269 PolarHBondContact OH-OG 3.04Å; D266-S269 PolarHBondContact O-N 3.15Å; D266-S269 VanDerWaalsContact O-N 3.1Å; D266-S269 PolarHBondContact O-OG 3.15Å
270	K	86.2	Confident	81.3	Confident	144 Å²	144	72 Å²	72	63%	0.626	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.7	139.4	-174.5	-62.8	-179.1	-179.9	178.2	0	110.1	F288	K270-F288 WeakPolarHBondContact CA-O 3.28Å
271	A	91.7	Very high	81.5	Confident	0 Å²	0	73.5 Å²	73.5	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	154.8	161.7	0	0	0	0	0	109.5	F230 C287 F288 M290 T328 V329	F230-A271 HydrophobicContact CE1-CB 3.58Å; F230-A271 HydrophobicContact CZ-CB 4.16Å; A271-C287 CarbonylContact O-C 3.57Å; A271-C287 WeakPolarHBondContact O-CA 3.4Å; A271-C287 WeakPolarHBondContact O-CB 3.36Å; A271-F288 HydrophobicContact CB-CD2 4.17Å; A271-F288 HydrophobicContact CB-CE2 3.6Å; A271-F288 HydrophobicContact CB-CZ 3.88Å; A271-F288 PolarHBondContact N-O 3.23Å; A271-F288 PolarHBondContact O-N 3.07Å; A271-M290 HydrophobicContact CB-CG 3.87Å; A271-T328 CarbonylContact C-O 3.55Å; A271-T328 VanDerWaalsContact CA-O 3.25Å; A271-T328 WeakPolarHBondContact CA-O 3.48Å; A271-V329 HydrophobicContact CB-CG1 4.16Å
272	C	94.8	Very high	82.1	Confident	10 Å²	10	71.9 Å²	71.9	7%	0.068	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	137.7	173.8	-55	0	0	0	0	110.7	Y274 K286 C287 T328	C272-Y274 HydrophobicContact CB-CE2 3.88Å; C272-K286 CarbonylContact C-O 3.59Å; C272-K286 VanDerWaalsContact CA-O 3.31Å; C272-K286 WeakPolarHBondContact CA-O 3.16Å; C272-C287 HydrophobicContact CB-CB 4.07Å; C272-C287 WeakPolarHBondContact CB-SG 3.47Å; C272-C287 WeakPolarHBondContact SG-CB 3.21Å; C272-C287 CovalentContact SG-SG 2.04Å; C272-C287 PolarHBondContact SG-SG 3.34Å; C272-T328 PolarHBondContact N-O 3.28Å; C272-T328 PolarHBondContact O-N 3.47Å; C272-T328 PolarHBondContact O-OG1 3.13Å; C272-T328 VanDerWaalsContact O-OG1 3.11Å
273	I	96.3	Very high	83.1	Confident	0 Å²	0	73.3 Å²	73.3	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	130.6	165.8	-66.3	162.3	0	0	0	108.1	F232 L258 R285 K286 F288 I295 M297 L325 Y326 L327	F232-I273 HydrophobicContact CE1-CD1 3.98Å; F232-I273 HydrophobicContact CE1-CG1 3.95Å; F232-I273 HydrophobicContact CZ-CG1 4.25Å; F232-I273 HydrophobicContact CZ-CG2 4.43Å; L258-I273 HydrophobicContact CD2-CD1 4.44Å; I273-R285 CarbonylContact O-C 3.5Å; I273-R285 VanDerWaalsContact O-CA 3.31Å; I273-R285 WeakPolarHBondContact O-CA 3.33Å; I273-K286 PolarHBondContact N-O 2.91Å; I273-K286 PolarHBondContact O-N 2.97Å; I273-F288 HydrophobicContact CB-CE1 4.24Å; I273-F288 HydrophobicContact CD1-CE1 3.61Å; I273-F288 HydrophobicContact CD1-CZ 3.75Å; I273-F288 HydrophobicContact CG1-CE1 3.63Å; I273-F288 HydrophobicContact CG1-CZ 3.8Å; I273-I295 HydrophobicContact CD1-CB 4.03Å; I273-I295 HydrophobicContact CD1-CG1 4.24Å; I273-I295 HydrophobicContact CD1-CG2 4.12Å; I273-M297 HydrophobicContact CB-SD 4.02Å; I273-M297 HydrophobicContact CG2-CE 4.47Å; I273-M297 HydrophobicContact CG2-SD 3.59Å; I273-M297 VanDerWaalsContact CG2-SD 3.59Å; I273-L325 HydrophobicContact CG2-CB 4.47Å; I273-L325 HydrophobicContact CG2-CD2 4.36Å; I273-Y326 CarbonylContact C-O 3.34Å; I273-Y326 VanDerWaalsContact CA-O 3.32Å; I273-Y326 WeakPolarHBondContact CA-O 3.34Å; I273-L327 HydrophobicContact CG1-CD1 3.73Å
274	Y	96.8	Very high	84.7	Confident	30 Å²	30	66.9 Å²	66.9	12%	0.118	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	135.1	168.4	-60.9	-96.7	0	0	0	109	C272 G284 R285 L325 Y326 T328 N332	C272-Y274 HydrophobicContact CB-CE2 3.88Å; Y274-G284 CarbonylContact C-O 3.53Å; Y274-G284 WeakPolarHBondContact CA-O 3.24Å; Y274-R285 HydrophobicContact CD1-CB 4.02Å; Y274-R285 HydrophobicContact CD1-CG 3.78Å; Y274-R285 HydrophobicContact CE1-CB 4.19Å; Y274-R285 HydrophobicContact CE1-CG 3.55Å; Y274-R285 HydrophobicContact CG-CG 4.49Å; Y274-R285 PolarHBondContact OH-NE 2.82Å; Y274-R285 VanDerWaalsContact OH-NE 3.08Å; Y274-L325 CarbonylContact O-C 3.57Å; Y274-L325 VanDerWaalsContact O-CA 3.29Å; Y274-L325 WeakPolarHBondContact O-CA 3.24Å; Y274-Y326 PolarHBondContact N-O 3.48Å; Y274-Y326 PolarHBondContact O-N 3.05Å; Y274-T328 HydrophobicContact CD2-CG2 3.99Å; Y274-T328 HydrophobicContact CE2-CG2 3.85Å; Y274-T328 WeakPolarHBondContact CE2-OG1 3.26Å; Y274-N332 PolarHBondContact OH-OD1 3.38Å
275	S	97.7	Very high	86.5	Confident	4 Å²	4	69 Å²	69	3%	0.028	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	142.9	176.8	64	0	0	0	0	110.9	F283 G284 M297 V324	S275-F283 WeakPolarHBondContact O-CA 3.45Å; S275-G284 PolarHBondContact N-O 2.7Å; S275-G284 PolarHBondContact O-N 3.47Å; S275-G284 WeakPolarHBondContact OG-CA 3.48Å; S275-G284 PolarHBondContact OG-N 3.21Å; S275-M297 WeakPolarHBondContact OG-CE 3.16Å; S275-V324 CarbonylContact C-O 3.42Å; S275-V324 WeakPolarHBondContact CA-O 3.26Å
276	Y	97.4	Very high	88.2	Confident	40 Å²	40	68.1 Å²	68.1	16%	0.157	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	134.7	176.1	-177.7	-131.4	0	0	0	111.8	E278 V282 F283 V324	Y276-E278 HydrophobicContact CD1-CB 4.37Å; Y276-E278 HydrophobicContact CE1-CB 3.63Å; Y276-E278 HydrophobicContact CE1-CG 4.05Å; Y276-E278 VanDerWaalsContact CZ-CA 3.46Å; Y276-V282 WeakPolarHBondContact CA-O 3.29Å; Y276-V282 WeakPolarHBondContact CD2-O 3.14Å; Y276-F283 HydrophobicContact CD1-CE1 4.49Å; Y276-F283 AromaticContact CD2-CD1 3.39Å; Y276-F283 HydrophobicContact CD2-CD1 3.39Å; Y276-F283 HydrophobicContact CD2-CD2 4.14Å; Y276-F283 AromaticContact CD2-CE1 3.13Å; Y276-F283 HydrophobicContact CD2-CE1 3.13Å; Y276-F283 AromaticContact CD2-CE2 3.92Å; Y276-F283 HydrophobicContact CD2-CE2 3.92Å; Y276-F283 AromaticContact CD2-CG 3.91Å; Y276-F283 HydrophobicContact CD2-CG 3.91Å; Y276-F283 AromaticContact CD2-CZ 3.43Å; Y276-F283 HydrophobicContact CD2-CZ 3.43Å; Y276-F283 VanDerWaalsContact CD2-CZ 3.43Å; Y276-F283 AromaticContact CE2-CD1 3.96Å; Y276-F283 HydrophobicContact CE2-CD1 3.96Å; Y276-F283 HydrophobicContact CE2-CD2 4.14Å; Y276-F283 AromaticContact CE2-CE1 3.29Å; Y276-F283 HydrophobicContact CE2-CE1 3.29Å; Y276-F283 AromaticContact CE2-CE2 3.51Å; Y276-F283 HydrophobicContact CE2-CE2 3.51Å; Y276-F283 HydrophobicContact CE2-CG 4.35Å; Y276-F283 AromaticContact CE2-CZ 3.03Å; Y276-F283 HydrophobicContact CE2-CZ 3.03Å; Y276-F283 HydrophobicContact CG-CD1 4.07Å; Y276-F283 AromaticContact CG-CE1 3.8Å; Y276-F283 HydrophobicContact CG-CE1 3.8Å; Y276-F283 HydrophobicContact CG-CZ 4.4Å; Y276-F283 AromaticContact CZ-CZ 3.73Å; Y276-V324 PolarHBondContact N-O 2.87Å; Y276-V324 PolarHBondContact O-N 2.9Å
277	I	97	Very high	89.8	Confident	1 Å²	1	65.7 Å²	65.7	1%	0.005	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	103.2	169	-54.9	171.6	0	0	0	107.2	E279 L280 N281 V282 L300 Y321 L323 I342	I277-E279 PolarHBondContact O-N 3.25Å; I277-L280 HydrophobicContact CG2-CB 4.15Å; I277-L280 HydrophobicContact CG2-CD1 4.14Å; I277-L280 HydrophobicContact CG2-CG 4.14Å; I277-L280 PolarHBondContact O-N 3Å; I277-N281 PolarHBondContact O-N 2.56Å; I277-V282 PolarHBondContact N-O 3.17Å; I277-V282 PolarHBondContact O-N 3.2Å; I277-L300 HydrophobicContact CD1-CD1 4.31Å; I277-Y321 HydrophobicContact CG2-CD1 3.88Å; I277-Y321 HydrophobicContact CG2-CG 4.29Å; I277-L323 HydrophobicContact CD1-CD1 4.29Å; I277-L323 HydrophobicContact CG1-CB 4.38Å; I277-L323 HydrophobicContact CG1-CD1 3.74Å; I277-I342 HydrophobicContact CD1-CD1 4.05Å
278	E	92.1	Very high	91.6	Very high	139 Å²	139	54.8 Å²	54.8	65%	0.65	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-61.5	-47	-170.7	-177.3	173.9	-173.2	0	0	112.4	Y276 L280 N281	Y276-E278 HydrophobicContact CD1-CB 4.37Å; Y276-E278 HydrophobicContact CE1-CB 3.63Å; Y276-E278 HydrophobicContact CE1-CG 4.05Å; Y276-E278 VanDerWaalsContact CZ-CA 3.46Å; E278-L280 PolarHBondContact O-N 3.48Å; E278-L280 VanDerWaalsContact O-N 3.14Å; E278-N281 PolarHBondContact O-N 2.98Å
279	E	94.2	Very high	93.1	Very high	90 Å²	90	48.9 Å²	48.9	42%	0.421	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-69	-18	-173.3	-50	93.3	142.4	0	0	113.1	I277 Y321 T322	I277-E279 PolarHBondContact O-N 3.25Å; E279-Y321 HydrophobicContact CB-CD1 3.95Å; E279-Y321 HydrophobicContact CB-CE1 4.01Å; E279-Y321 HydrophobicContact CG-CD1 4.46Å; E279-T322 PolarHBondContact OE1-N 2.81Å
280	L	95.3	Very high	93.5	Very high	25 Å²	25	48.3 Å²	48.3	13%	0.131	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-105.1	-8.1	174.3	-62.6	177.7	0	0	0	112.6	I277 E278 V282 L300 V306 Y321 F344	I277-L280 HydrophobicContact CG2-CB 4.15Å; I277-L280 HydrophobicContact CG2-CD1 4.14Å; I277-L280 HydrophobicContact CG2-CG 4.14Å; I277-L280 PolarHBondContact O-N 3Å; E278-L280 PolarHBondContact O-N 3.48Å; E278-L280 VanDerWaalsContact O-N 3.14Å; L280-V282 VanDerWaalsContact C-N 3.29Å; L280-V282 HydrophobicContact CB-CG2 3.88Å; L280-V282 PolarHBondContact O-N 2.93Å; L280-L300 HydrophobicContact CD1-CD1 3.41Å; L280-L300 VanDerWaalsContact CD1-CD1 3.41Å; L280-V306 HydrophobicContact CD1-CG2 4.09Å; L280-Y321 HydrophobicContact CD1-CD1 4.09Å; L280-Y321 HydrophobicContact CD1-CE1 3.76Å; L280-Y321 HydrophobicContact CD2-CE1 3.69Å; L280-Y321 HydrophobicContact CG-CD1 3.96Å; L280-Y321 HydrophobicContact CG-CE1 3.47Å; L280-Y321 VanDerWaalsContact CG-CE1 3.47Å; L280-F344 HydrophobicContact CD1-CE2 4.44Å
281	N	94.4	Very high	93.2	Very high	86 Å²	86	48.1 Å²	48.1	46%	0.46	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.4	45.5	-173.6	-166.3	39.4	0	0	0	112.8	I277 E278 F283	I277-N281 PolarHBondContact O-N 2.56Å; E278-N281 PolarHBondContact O-N 2.98Å; N281-F283 WeakPolarHBondContact OD1-CE2 3.46Å
282	V	94.8	Very high	92.5	Very high	19 Å²	19	51.2 Å²	51.2	12%	0.115	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	132.3	-179.1	-178.3	0	0	0	0	110.1	Y276 I277 L280 V299 L300 Q303	Y276-V282 WeakPolarHBondContact CA-O 3.29Å; Y276-V282 WeakPolarHBondContact CD2-O 3.14Å; I277-V282 PolarHBondContact N-O 3.17Å; I277-V282 PolarHBondContact O-N 3.2Å; L280-V282 VanDerWaalsContact C-N 3.29Å; L280-V282 HydrophobicContact CB-CG2 3.88Å; L280-V282 PolarHBondContact O-N 2.93Å; V282-V299 VanDerWaalsContact CG1-O 3.24Å; V282-V299 WeakPolarHBondContact CG1-O 3.48Å; V282-L300 HydrophobicContact CG1-CB 4.48Å; V282-L300 HydrophobicContact CG2-CD1 4.48Å; V282-Q303 HydrophobicContact CG2-CG 4.24Å
283	F	95.2	Very high	92.2	Very high	75 Å²	75	58.6 Å²	58.6	33%	0.329	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	141.3	178	-60.7	-96.5	0	0	0	110.1	N16 S275 Y276 N281	N16-F283 HydrophobicContact CB-CE2 4.38Å; N16-F283 HydrophobicContact CB-CZ 4.31Å; S275-F283 WeakPolarHBondContact O-CA 3.45Å; Y276-F283 HydrophobicContact CD1-CE1 4.49Å; Y276-F283 AromaticContact CD2-CD1 3.39Å; Y276-F283 HydrophobicContact CD2-CD1 3.39Å; Y276-F283 HydrophobicContact CD2-CD2 4.14Å; Y276-F283 AromaticContact CD2-CE1 3.13Å; Y276-F283 HydrophobicContact CD2-CE1 3.13Å; Y276-F283 AromaticContact CD2-CE2 3.92Å; Y276-F283 HydrophobicContact CD2-CE2 3.92Å; Y276-F283 AromaticContact CD2-CG 3.91Å; Y276-F283 HydrophobicContact CD2-CG 3.91Å; Y276-F283 AromaticContact CD2-CZ 3.43Å; Y276-F283 HydrophobicContact CD2-CZ 3.43Å; Y276-F283 VanDerWaalsContact CD2-CZ 3.43Å; Y276-F283 AromaticContact CE2-CD1 3.96Å; Y276-F283 HydrophobicContact CE2-CD1 3.96Å; Y276-F283 HydrophobicContact CE2-CD2 4.14Å; Y276-F283 AromaticContact CE2-CE1 3.29Å; Y276-F283 HydrophobicContact CE2-CE1 3.29Å; Y276-F283 AromaticContact CE2-CE2 3.51Å; Y276-F283 HydrophobicContact CE2-CE2 3.51Å; Y276-F283 HydrophobicContact CE2-CG 4.35Å; Y276-F283 AromaticContact CE2-CZ 3.03Å; Y276-F283 HydrophobicContact CE2-CZ 3.03Å; Y276-F283 HydrophobicContact CG-CD1 4.07Å; Y276-F283 AromaticContact CG-CE1 3.8Å; Y276-F283 HydrophobicContact CG-CE1 3.8Å; Y276-F283 HydrophobicContact CG-CZ 4.4Å; Y276-F283 AromaticContact CZ-CZ 3.73Å; N281-F283 WeakPolarHBondContact OD1-CE2 3.46Å
284	G	94.5	Very high	92	Very high	15 Å²	15	62.3 Å²	62.3	16%	0.155	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	155.1	174.1	0	0	0	0	0	110.9	Y274 S275	Y274-G284 CarbonylContact C-O 3.53Å; Y274-G284 WeakPolarHBondContact CA-O 3.24Å; S275-G284 PolarHBondContact N-O 2.7Å; S275-G284 PolarHBondContact O-N 3.47Å; S275-G284 WeakPolarHBondContact OG-CA 3.48Å; S275-G284 PolarHBondContact OG-N 3.21Å
285	R	95.5	Very high	91.9	Very high	153 Å²	153	61.1 Å²	61.1	58%	0.577	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-147.9	133.2	177.4	-178	-170.9	-178.7	-131.6	-0.4	110.1	I273 Y274 C287	I273-R285 CarbonylContact O-C 3.5Å; I273-R285 VanDerWaalsContact O-CA 3.31Å; I273-R285 WeakPolarHBondContact O-CA 3.33Å; Y274-R285 HydrophobicContact CD1-CB 4.02Å; Y274-R285 HydrophobicContact CD1-CG 3.78Å; Y274-R285 HydrophobicContact CE1-CB 4.19Å; Y274-R285 HydrophobicContact CE1-CG 3.55Å; Y274-R285 HydrophobicContact CG-CG 4.49Å; Y274-R285 PolarHBondContact OH-NE 2.82Å; Y274-R285 VanDerWaalsContact OH-NE 3.08Å; R285-C287 PolarHBondContact NH2-SG 3.14Å
286	K	95	Very high	91.7	Very high	85 Å²	85	62.4 Å²	62.4	37%	0.37	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	127.7	168.7	-173.5	168.3	179.3	170.9	0	110.6	C272 I273 I295 T296 M297	C272-K286 CarbonylContact C-O 3.59Å; C272-K286 VanDerWaalsContact CA-O 3.31Å; C272-K286 WeakPolarHBondContact CA-O 3.16Å; I273-K286 PolarHBondContact N-O 2.91Å; I273-K286 PolarHBondContact O-N 2.97Å; K286-I295 HydrophobicContact CD-CG2 3.84Å; K286-I295 HydrophobicContact CG-CG2 4.34Å; K286-T296 WeakPolarHBondContact CD-O 3.26Å; K286-T296 WeakPolarHBondContact CE-O 3.22Å; K286-T296 PolarHBondContact NZ-O 3.15Å; K286-M297 HydrophobicContact CB-CB 3.99Å; K286-M297 HydrophobicContact CB-SD 4.29Å; K286-M297 HydrophobicContact CD-CB 3.82Å
287	C	93.8	Very high	91.5	Very high	46 Å²	46	60.9 Å²	60.9	31%	0.311	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	147.5	173.4	-55.3	0	0	0	0	110.8	A271 C272 R285	A271-C287 CarbonylContact O-C 3.57Å; A271-C287 WeakPolarHBondContact O-CA 3.4Å; A271-C287 WeakPolarHBondContact O-CB 3.36Å; C272-C287 HydrophobicContact CB-CB 4.07Å; C272-C287 WeakPolarHBondContact CB-SG 3.47Å; C272-C287 WeakPolarHBondContact SG-CB 3.21Å; C272-C287 CovalentContact SG-SG 2.04Å; C272-C287 PolarHBondContact SG-SG 3.34Å; R285-C287 PolarHBondContact NH2-SG 3.14Å
288	F	92.2	Very high	91.3	Very high	16 Å²	16	64.9 Å²	64.9	7%	0.07	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	163.8	-169.8	48.6	-91	0	0	0	110.9	F230 L258 K270 A271 I273 I295 L327	F230-F288 HydrophobicContact CE1-CE2 4.49Å; F230-F288 HydrophobicContact CZ-CE2 4.16Å; L258-F288 HydrophobicContact CD1-CD2 4.23Å; L258-F288 HydrophobicContact CD1-CE2 3.27Å; L258-F288 HydrophobicContact CD1-CZ 3.54Å; K270-F288 WeakPolarHBondContact CA-O 3.28Å; A271-F288 HydrophobicContact CB-CD2 4.17Å; A271-F288 HydrophobicContact CB-CE2 3.6Å; A271-F288 HydrophobicContact CB-CZ 3.88Å; A271-F288 PolarHBondContact N-O 3.23Å; A271-F288 PolarHBondContact O-N 3.07Å; I273-F288 HydrophobicContact CB-CE1 4.24Å; I273-F288 HydrophobicContact CD1-CE1 3.61Å; I273-F288 HydrophobicContact CD1-CZ 3.75Å; I273-F288 HydrophobicContact CG1-CE1 3.63Å; I273-F288 HydrophobicContact CG1-CZ 3.8Å; F288-I295 HydrophobicContact CB-CD1 3.74Å; F288-I295 HydrophobicContact CD1-CD1 3.71Å; F288-I295 HydrophobicContact CD1-CG1 3.82Å; F288-I295 HydrophobicContact CD1-CG2 3.9Å; F288-I295 HydrophobicContact CD2-CD1 3.47Å; F288-I295 VanDerWaalsContact CD2-CD1 3.47Å; F288-I295 HydrophobicContact CD2-CG1 3.91Å; F288-I295 HydrophobicContact CE1-CB 4.44Å; F288-I295 HydrophobicContact CE1-CD1 4.18Å; F288-I295 HydrophobicContact CE1-CG1 3.78Å; F288-I295 HydrophobicContact CE1-CG2 4.06Å; F288-I295 HydrophobicContact CE2-CD1 3.96Å; F288-I295 HydrophobicContact CE2-CG1 3.86Å; F288-I295 HydrophobicContact CG-CD1 3.34Å; F288-I295 HydrophobicContact CG-CG1 3.9Å; F288-I295 HydrophobicContact CZ-CD1 4.29Å; F288-I295 HydrophobicContact CZ-CG1 3.81Å; F288-L327 HydrophobicContact CZ-CD1 3.99Å
289	G	86.5	Confident	91.5	Very high	19 Å²	19	58.4 Å²	58.4	20%	0.196	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	144.2	168.7	0	0	0	0	0	110.8	E291 N292	G289-E291 VanDerWaalsContact C-CD 3.47Å; G289-E291 WeakPolarHBondContact CA-OE1 3.14Å; G289-E291 WeakPolarHBondContact CA-OE2 3.17Å; G289-E291 PolarHBondContact O-N 3.45Å; G289-N292 PolarHBondContact O-N 2.8Å; G289-N292 PolarHBondContact O-ND2 3.43Å
290	M	81.2	Confident	91.5	Very high	18 Å²	18	54.2 Å²	54.2	9%	0.089	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-5.2	-169.8	-61.5	172.6	68.1	0	0	113.8	F230 M262 Y265 A271 N292 V329	F230-M290 HydrophobicContact CD1-CE 4.03Å; F230-M290 HydrophobicContact CD2-CE 4.27Å; F230-M290 HydrophobicContact CE1-CE 4.17Å; F230-M290 HydrophobicContact CE2-CB 4.37Å; F230-M290 HydrophobicContact CE2-CE 4.41Å; F230-M290 HydrophobicContact CG-CE 4.09Å; F230-M290 HydrophobicContact CZ-CB 4.29Å; F230-M290 HydrophobicContact CZ-CE 4.36Å; F230-M290 HydrophobicContact CZ-CG 4.27Å; M262-M290 HydrophobicContact CE-CE 3.03Å; M262-M290 HydrophobicContact SD-CE 3.52Å; M262-M290 VanDerWaalsContact SD-CE 3.52Å; Y265-M290 HydrophobicContact CD1-CE 4.44Å; Y265-M290 HydrophobicContact CD1-SD 3.81Å; Y265-M290 HydrophobicContact CE1-CE 4.37Å; Y265-M290 HydrophobicContact CE1-SD 3.49Å; Y265-M290 WeakPolarHBondContact CE1-SD 3.35Å; A271-M290 HydrophobicContact CB-CG 3.87Å; M290-N292 PolarHBondContact O-N 3.05Å; M290-V329 HydrophobicContact CE-CG1 4.06Å
291	E	80.4	Confident	91.4	Very high	140 Å²	140	60.6 Å²	60.6	65%	0.654	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-18	170.9	67.6	-73.8	168	0	0	113.6	G289	G289-E291 VanDerWaalsContact C-CD 3.47Å; G289-E291 WeakPolarHBondContact CA-OE1 3.14Å; G289-E291 WeakPolarHBondContact CA-OE2 3.17Å; G289-E291 PolarHBondContact O-N 3.45Å
292	N	77	Confident	91.3	Very high	64 Å²	64	59.5 Å²	59.5	34%	0.342	29%	0.287	S	S	.	.			trans	-76.9	127.5	-177.3	-67	-60.7	0	0	0	111.2	G289 M290 I295	G289-N292 PolarHBondContact O-N 2.8Å; G289-N292 PolarHBondContact O-ND2 3.43Å; M290-N292 PolarHBondContact O-N 3.05Å; N292-I295 HydrophobicContact CB-CD1 3.49Å; N292-I295 VanDerWaalsContact CB-CD1 3.49Å
293	K	87.9	Confident	91.2	Very high	166 Å²	166	61.3 Å²	61.3	72%	0.722	29%	0.294	S	S	*	.	S	Bend	trans	-86.3	-25.6	177	-65	-173.7	177.5	-174.7	0	113.8	E257 L258	E257-K293 CarbonylContact C-O 3.58Å; E257-K293 WeakPolarHBondContact CA-O 3.48Å; L258-K293 PolarHBondContact N-O 2.97Å
294	V	92.9	Very high	91	Very high	77 Å²	77	61.6 Å²	61.6	47%	0.467	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	130.6	-179.9	-179.5	0	0	0	0	108.7	D255 V256	D255-V294 HydrophobicContact CB-CG1 3.96Å; V256-V294 WeakPolarHBondContact O-CA 3.18Å
295	I	94.4	Very high	90.9	Very high	5 Å²	5	69 Å²	69	3%	0.026	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	116.3	178.3	-57.5	-60.7	0	0	0	109.6	D255 V256 L258 I273 K286 F288 N292	D255-I295 WeakPolarHBondContact CA-O 3.25Å; V256-I295 PolarHBondContact N-O 3.16Å; V256-I295 PolarHBondContact O-N 2.77Å; L258-I295 HydrophobicContact CD1-CD1 4.37Å; L258-I295 HydrophobicContact CD1-CG1 3.57Å; L258-I295 HydrophobicContact CG-CG1 4.39Å; I273-I295 HydrophobicContact CD1-CB 4.03Å; I273-I295 HydrophobicContact CD1-CG1 4.24Å; I273-I295 HydrophobicContact CD1-CG2 4.12Å; K286-I295 HydrophobicContact CD-CG2 3.84Å; K286-I295 HydrophobicContact CG-CG2 4.34Å; F288-I295 HydrophobicContact CB-CD1 3.74Å; F288-I295 HydrophobicContact CD1-CD1 3.71Å; F288-I295 HydrophobicContact CD1-CG1 3.82Å; F288-I295 HydrophobicContact CD1-CG2 3.9Å; F288-I295 HydrophobicContact CD2-CD1 3.47Å; F288-I295 VanDerWaalsContact CD2-CD1 3.47Å; F288-I295 HydrophobicContact CD2-CG1 3.91Å; F288-I295 HydrophobicContact CE1-CB 4.44Å; F288-I295 HydrophobicContact CE1-CD1 4.18Å; F288-I295 HydrophobicContact CE1-CG1 3.78Å; F288-I295 HydrophobicContact CE1-CG2 4.06Å; F288-I295 HydrophobicContact CE2-CD1 3.96Å; F288-I295 HydrophobicContact CE2-CG1 3.86Å; F288-I295 HydrophobicContact CG-CD1 3.34Å; F288-I295 HydrophobicContact CG-CG1 3.9Å; F288-I295 HydrophobicContact CZ-CD1 4.29Å; F288-I295 HydrophobicContact CZ-CG1 3.81Å; N292-I295 HydrophobicContact CB-CD1 3.49Å; N292-I295 VanDerWaalsContact CB-CD1 3.49Å
296	T	93.6	Very high	90.9	Very high	32 Å²	32	62.5 Å²	62.5	20%	0.196	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	130.8	168.8	-51.7	0	0	0	0	110.3	I254 D255 K286	I254-T296 CarbonylContact O-C 3.6Å; I254-T296 WeakPolarHBondContact O-CA 3.45Å; D255-T296 WeakPolarHBondContact OD1-CA 3.18Å; D255-T296 VanDerWaalsContact OD1-CB 3.22Å; D255-T296 WeakPolarHBondContact OD1-CB 3.44Å; D255-T296 VanDerWaalsContact OD1-CG2 3.3Å; D255-T296 WeakPolarHBondContact OD1-CG2 3.5Å; D255-T296 PolarHBondContact OD1-OG1 3.47Å; K286-T296 WeakPolarHBondContact CD-O 3.26Å; K286-T296 WeakPolarHBondContact CE-O 3.22Å; K286-T296 PolarHBondContact NZ-O 3.15Å
297	M	93.6	Very high	90.9	Very high	8 Å²	8	63.8 Å²	63.8	4%	0.039	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	145	172.7	63.3	-179.8	-77.6	0	0	113.1	E253 I254 I273 S275 K286 V299	E253-M297 CarbonylContact C-O 3.58Å; E253-M297 VanDerWaalsContact CA-O 3.29Å; E253-M297 WeakPolarHBondContact CA-O 3.27Å; I254-M297 HydrophobicContact CD1-CG 3.63Å; I254-M297 HydrophobicContact CD1-SD 3.93Å; I254-M297 HydrophobicContact CG1-CG 3.37Å; I254-M297 HydrophobicContact CG1-SD 4.35Å; I254-M297 PolarHBondContact N-O 3.33Å; I254-M297 PolarHBondContact O-N 2.89Å; I273-M297 HydrophobicContact CB-SD 4.02Å; I273-M297 HydrophobicContact CG2-CE 4.47Å; I273-M297 HydrophobicContact CG2-SD 3.59Å; I273-M297 VanDerWaalsContact CG2-SD 3.59Å; S275-M297 WeakPolarHBondContact OG-CE 3.16Å; K286-M297 HydrophobicContact CB-CB 3.99Å; K286-M297 HydrophobicContact CB-SD 4.29Å; K286-M297 HydrophobicContact CD-CB 3.82Å; M297-V299 HydrophobicContact CE-CG1 4.09Å; M297-V299 HydrophobicContact CG-CG1 4.23Å
298	E	93.6	Very high	91	Very high	84 Å²	84	62.9 Å²	62.9	39%	0.393	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	127.1	167.3	-170.6	-176.7	68.9	0	0	108.9	E253 R301	E253-E298 HydrophobicContact CG-CB 4.33Å; E298-R301 WeakPolarHBondContact OE1-CD 3.08Å
299	V	95.6	Very high	91.3	Very high	4 Å²	4	62.1 Å²	62.1	2%	0.024	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	-18	179.7	-65.8	0	0	0	0	112.7	F238 A252 I254 V282 M297	F238-V299 HydrophobicContact CE2-CG2 4.2Å; A252-V299 HydrophobicContact CB-CG2 3.9Å; A252-V299 WeakPolarHBondContact O-CG2 3.37Å; A252-V299 PolarHBondContact O-N 3.22Å; I254-V299 HydrophobicContact CB-CG1 4.46Å; I254-V299 HydrophobicContact CD1-CG1 3.54Å; I254-V299 HydrophobicContact CG1-CG1 3.72Å; I254-V299 HydrophobicContact CG2-CG1 4Å; I254-V299 HydrophobicContact CG2-CG2 4.12Å; V282-V299 VanDerWaalsContact CG1-O 3.24Å; V282-V299 WeakPolarHBondContact CG1-O 3.48Å; M297-V299 HydrophobicContact CE-CG1 4.09Å; M297-V299 HydrophobicContact CG-CG1 4.23Å
300	L	94.8	Very high	91.7	Very high	2 Å²	2	62.6 Å²	62.6	1%	0.01	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	135.5	-178.8	-179.6	151.1	0	0	0	109.6	W250 S251 A252 I277 L280 V282 Q303 V306 F344	W250-L300 HydrophobicContact CB-CD2 4.49Å; W250-L300 WeakPolarHBondContact O-CD2 3.1Å; S251-L300 CarbonylContact C-O 3.57Å; S251-L300 WeakPolarHBondContact CA-O 3.48Å; S251-L300 WeakPolarHBondContact CB-O 3.45Å; A252-L300 HydrophobicContact CB-CB 4.25Å; A252-L300 PolarHBondContact N-O 2.63Å; A252-L300 PolarHBondContact O-N 3.18Å; I277-L300 HydrophobicContact CD1-CD1 4.31Å; L280-L300 HydrophobicContact CD1-CD1 3.41Å; L280-L300 VanDerWaalsContact CD1-CD1 3.41Å; V282-L300 HydrophobicContact CG1-CB 4.48Å; V282-L300 HydrophobicContact CG2-CD1 4.48Å; L300-Q303 HydrophobicContact CD1-CB 4.25Å; L300-Q303 HydrophobicContact CD1-CG 3.82Å; L300-Q303 HydrophobicContact CD2-CB 3.84Å; L300-Q303 HydrophobicContact CD2-CG 3.7Å; L300-Q303 HydrophobicContact CG-CB 4.21Å; L300-Q303 HydrophobicContact CG-CG 3.58Å; L300-V306 HydrophobicContact CD1-CG2 4.32Å; L300-F344 HydrophobicContact CD1-CE1 4.04Å; L300-F344 HydrophobicContact CD1-CZ 3.74Å; L300-F344 HydrophobicContact CD2-CE1 4.25Å
301	R	93.2	Very high	92.4	Very high	159 Å²	159	61.8 Å²	61.8	60%	0.6	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.4	133.6	179.8	-169.2	175.8	175.7	176.2	0.6	111.7	E298 Q303	E298-R301 WeakPolarHBondContact OE1-CD 3.08Å; R301-Q303 VanDerWaalsContact C-N 3.3Å; R301-Q303 PolarHBondContact O-N 3.14Å
302	N	91.4	Very high	93	Very high	63 Å²	63	57.1 Å²	57.1	34%	0.337	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	47.1	42.9	170	-69	-13.8	0	0	0	115.3	Q243 L249 W250 S251	Q243-N302 PolarHBondContact NE2-OD1 2.83Å; L249-N302 HydrophobicContact CB-CB 4.45Å; L249-N302 HydrophobicContact CD1-CB 4.14Å; W250-N302 CarbonylContact O-C 3.58Å; W250-N302 WeakPolarHBondContact O-CA 3.12Å; W250-N302 PolarHBondContact O-N 2.87Å; S251-N302 PolarHBondContact OG-N 2.84Å
303	Q	93	Very high	93.5	Very high	56 Å²	56	56.9 Å²	56.9	26%	0.262	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	129.4	178.6	-66.4	-63.1	-32	0	0	111.8	W250 V282 L300 R301 V306	W250-Q303 PolarHBondContact N-O 2.53Å; W250-Q303 PolarHBondContact O-N 2.72Å; V282-Q303 HydrophobicContact CG2-CG 4.24Å; L300-Q303 HydrophobicContact CD1-CB 4.25Å; L300-Q303 HydrophobicContact CD1-CG 3.82Å; L300-Q303 HydrophobicContact CD2-CB 3.84Å; L300-Q303 HydrophobicContact CD2-CG 3.7Å; L300-Q303 HydrophobicContact CG-CB 4.21Å; L300-Q303 HydrophobicContact CG-CG 3.58Å; R301-Q303 VanDerWaalsContact C-N 3.3Å; R301-Q303 PolarHBondContact O-N 3.14Å; Q303-V306 HydrophobicContact CB-CG2 3.81Å
304	S	91.2	Very high	93.5	Very high	82 Å²	82	49.1 Å²	49.1	57%	0.573	25%	0.254	S	S	*	.	S	Bend	trans	-92	-17.5	176.7	56.8	0	0	0	0	114	V306	S304-V306 VanDerWaalsContact C-N 3.33Å; S304-V306 PolarHBondContact O-N 3.26Å
305	K	91.3	Very high	93.3	Very high	171 Å²	171	48.5 Å²	48.5	74%	0.743	25%	0.246	S	C	*	.			trans	-88.3	5.9	-175.5	-63.8	-176.6	-178.6	177.6	0	114.5	K307	K305-K307 PolarHBondContact O-N 2.04Å
306	V	95.5	Very high	93.1	Very high	16 Å²	16	53.4 Å²	53.4	10%	0.097	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-66.8	124.3	-178.1	176.2	0	0	0	0	110	W250 L280 L300 Q303 S304 L308 Y321 F344	W250-V306 HydrophobicContact CB-CB 4.14Å; W250-V306 HydrophobicContact CB-CG1 4.42Å; W250-V306 HydrophobicContact CB-CG2 3.84Å; W250-V306 HydrophobicContact CG-CB 4.11Å; W250-V306 HydrophobicContact CG-CG1 4.2Å; W250-V306 HydrophobicContact CG-CG2 4.35Å; L280-V306 HydrophobicContact CD1-CG2 4.09Å; L300-V306 HydrophobicContact CD1-CG2 4.32Å; Q303-V306 HydrophobicContact CB-CG2 3.81Å; S304-V306 VanDerWaalsContact C-N 3.33Å; S304-V306 PolarHBondContact O-N 3.26Å; V306-L308 HydrophobicContact CG1-CD2 4.18Å; V306-Y321 HydrophobicContact CG1-CE2 4.46Å; V306-F344 HydrophobicContact CG1-CB 3.42Å; V306-F344 VanDerWaalsContact CG1-CB 3.42Å; V306-F344 HydrophobicContact CG1-CD1 3.76Å; V306-F344 HydrophobicContact CG1-CD2 3.62Å; V306-F344 HydrophobicContact CG1-CE1 4.43Å; V306-F344 HydrophobicContact CG1-CE2 4.33Å; V306-F344 HydrophobicContact CG1-CG 3.31Å
307	K	95.5	Very high	93	Very high	111 Å²	111	52.4 Å²	52.4	48%	0.483	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-87.8	129.2	168.9	-67.8	176.2	-177.5	172.5	0	108.3	K305 Y319 Y321	K305-K307 PolarHBondContact O-N 2.04Å; K307-Y319 HydrophobicContact CB-CD1 3.75Å; K307-Y319 HydrophobicContact CB-CD2 4.16Å; K307-Y319 HydrophobicContact CB-CE1 4.16Å; K307-Y319 HydrophobicContact CB-CG 3.75Å; K307-Y319 HydrophobicContact CD-CD1 4.35Å; K307-Y319 HydrophobicContact CD-CD2 3.76Å; K307-Y319 HydrophobicContact CD-CE1 4.12Å; K307-Y319 HydrophobicContact CD-CE2 3.46Å; K307-Y319 VanDerWaalsContact CD-CE2 3.46Å; K307-Y319 HydrophobicContact CD-CG 4.18Å; K307-Y321 PolarHBondContact N-OH 3.48Å; K307-Y321 WeakPolarHBondContact O-CE2 3.29Å
308	L	96.1	Very high	93.1	Very high	27 Å²	27	54 Å²	54	14%	0.141	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-81.3	149.4	-174.4	-51.3	-174.6	0	0	0	111.3	W250 V306 W310 F344 N370	W250-L308 HydrophobicContact CD2-CD2 4.17Å; W250-L308 HydrophobicContact CH2-CD2 4.01Å; W250-L308 HydrophobicContact CZ2-CD1 3.96Å; W250-L308 HydrophobicContact CZ2-CD2 3.25Å; W250-L308 HydrophobicContact CZ2-CG 4.25Å; V306-L308 HydrophobicContact CG1-CD2 4.18Å; L308-W310 HydrophobicContact CD1-CZ2 4.33Å; L308-F344 CarbonylContact C-O 3.59Å; L308-F344 VanDerWaalsContact CA-O 3.31Å; L308-F344 WeakPolarHBondContact CA-O 3.38Å; L308-F344 HydrophobicContact CD2-CB 4.29Å; L308-N370 HydrophobicContact CD1-CB 3.94Å
309	W	98	Very high	93.3	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-75.8	126.5	164.9	-173.1	95.3	0	0	0	109.2	P311 P318 F344 R345 N370 D439 M444 P480	W309-P311 HydrophobicContact CH2-CG 4.45Å; W309-P311 HydrophobicContact CZ3-CG 3.99Å; W309-P318 HydrophobicContact CG-CB 4.44Å; W309-P318 VanDerWaalsContact NE1-CB 3.34Å; W309-F344 PolarHBondContact N-O 2.8Å; W309-R345 HydrophobicContact CB-CB 4.31Å; W309-R345 HydrophobicContact CB-CG 4.43Å; W309-R345 HydrophobicContact CE3-CG 4.24Å; W309-N370 PolarHBondContact O-ND2 2.96Å; W309-N370 VanDerWaalsContact O-ND2 3.08Å; W309-D439 PolarHBondContact NE1-O 3.12Å; W309-M444 HydrophobicContact CH2-CG 4.09Å; W309-M444 HydrophobicContact CZ3-CG 4.33Å; W309-P480 HydrophobicContact CB-CB 4.29Å; W309-P480 HydrophobicContact CD2-CB 3.9Å; W309-P480 HydrophobicContact CD2-CG 4.29Å; W309-P480 HydrophobicContact CE3-CB 4.33Å; W309-P480 HydrophobicContact CG-CB 3.88Å; W309-P480 HydrophobicContact CG-CG 4.07Å
310	W	96.4	Very high	93.5	Very high	30 Å²	30	55.2 Å²	55.2	11%	0.114	29%	0.288	C	S	.	.			trans	-122	146.8	174.4	-68.9	97.3	0	0	0	111.2	L308 T314 E315 G317 P318 T369 N370 L372	L308-W310 HydrophobicContact CD1-CZ2 4.33Å; W310-T314 WeakPolarHBondContact CB-O 3.36Å; W310-T314 HydrophobicContact CD2-CG2 4.43Å; W310-T314 HydrophobicContact CE3-CG2 3.63Å; W310-T314 HydrophobicContact CZ3-CG2 4.08Å; W310-E315 HydrophobicContact CB-CB 4.39Å; W310-E315 HydrophobicContact CD2-CB 3.64Å; W310-E315 HydrophobicContact CD2-CG 3.72Å; W310-E315 HydrophobicContact CE3-CB 4.22Å; W310-E315 HydrophobicContact CE3-CG 3.9Å; W310-E315 HydrophobicContact CG-CB 3.71Å; W310-E315 HydrophobicContact CG-CG 4.34Å; W310-E315 HydrophobicContact CH2-CG 3.83Å; W310-E315 HydrophobicContact CZ2-CB 4.27Å; W310-E315 HydrophobicContact CZ2-CG 3.7Å; W310-E315 HydrophobicContact CZ3-CG 3.95Å; W310-G317 CarbonylContact O-C 3.6Å; W310-G317 VanDerWaalsContact O-C 3.28Å; W310-P318 VanDerWaalsContact O-CA 3.23Å; W310-P318 WeakPolarHBondContact O-CA 3.4Å; W310-P318 WeakPolarHBondContact O-CD 3.28Å; W310-T369 HydrophobicContact CE3-CG2 4.39Å; W310-T369 VanDerWaalsContact CZ3-O 3.24Å; W310-T369 WeakPolarHBondContact CZ3-O 3.49Å; W310-N370 HydrophobicContact CH2-CB 3.46Å; W310-N370 VanDerWaalsContact CH2-CB 3.46Å; W310-N370 HydrophobicContact CZ2-CB 3.7Å; W310-N370 HydrophobicContact CZ3-CB 3.93Å; W310-L372 HydrophobicContact CH2-CB 4.13Å; W310-L372 HydrophobicContact CH2-CD2 4.44Å; W310-L372 HydrophobicContact CZ3-CB 3.89Å; W310-L372 HydrophobicContact CZ3-CD2 3.97Å
311	P	95.9	Very high	93.7	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.288	C	S	.	.			trans	-58.2	157.1	169.4	-23.2	33.3	0	0	0	111.9	W309 G313 T314 T369 G442 M444	W309-P311 HydrophobicContact CH2-CG 4.45Å; W309-P311 HydrophobicContact CZ3-CG 3.99Å; P311-G313 PolarHBondContact O-N 3.1Å; P311-T314 VanDerWaalsContact O-CB 3.32Å; P311-T314 WeakPolarHBondContact O-CB 3.34Å; P311-T314 PolarHBondContact O-N 3.09Å; P311-T314 VanDerWaalsContact O-N 3.11Å; P311-T369 HydrophobicContact CG-CG2 4.43Å; P311-G442 CarbonylContact C-O 3.58Å; P311-G442 VanDerWaalsContact CA-O 3.31Å; P311-G442 WeakPolarHBondContact CA-O 3.44Å; P311-M444 HydrophobicContact CB-CE 3.95Å; P311-M444 HydrophobicContact CB-CG 4.01Å; P311-M444 HydrophobicContact CB-SD 4Å; P311-M444 HydrophobicContact CG-CE 4.02Å; P311-M444 HydrophobicContact CG-CG 3.74Å; P311-M444 HydrophobicContact CG-SD 3.44Å; P311-M444 WeakPolarHBondContact CG-SD 3.48Å
312	I	92.8	Very high	93.9	Very high	43 Å²	43	50.5 Å²	50.5	22%	0.221	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	139.1	176.8	-172.8	163.2	0	0	0	111.9	T314 S414 N419 G442 L443	I312-T314 PolarHBondContact O-N 3.41Å; I312-S414 WeakPolarHBondContact CD1-OG 3.23Å; I312-N419 HydrophobicContact CG2-CB 3.87Å; I312-G442 PolarHBondContact N-O 3.01Å; I312-L443 HydrophobicContact CG2-CD2 4.45Å
313	G	87.3	Confident	94.2	Very high	58 Å²	58	47.5 Å²	47.5	60%	0.598	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.5	7.4	-179.4	0	0	0	0	0	114.4	P311	P311-G313 PolarHBondContact O-N 3.1Å
314	T	88.6	Confident	94.5	Very high	3 Å²	3	45.5 Å²	45.5	2%	0.018	25%	0.252	C	S	.	.	S	Bend	trans	-116.5	131.8	178.9	-52.1	0	0	0	0	109.9	W310 P311 I312 T316 G317 L372 I374 I781	W310-T314 WeakPolarHBondContact CB-O 3.36Å; W310-T314 HydrophobicContact CD2-CG2 4.43Å; W310-T314 HydrophobicContact CE3-CG2 3.63Å; W310-T314 HydrophobicContact CZ3-CG2 4.08Å; P311-T314 VanDerWaalsContact O-CB 3.32Å; P311-T314 WeakPolarHBondContact O-CB 3.34Å; P311-T314 PolarHBondContact O-N 3.09Å; P311-T314 VanDerWaalsContact O-N 3.11Å; I312-T314 PolarHBondContact O-N 3.41Å; T314-T316 PolarHBondContact O-N 2.86Å; T314-G317 PolarHBondContact O-N 3.32Å; T314-L372 HydrophobicContact CG2-CD2 3.71Å; T314-I374 HydrophobicContact CG2-CD1 3.87Å; T314-I781 HydrophobicContact CG2-CG2 4.32Å
315	E	87.9	Confident	94.8	Very high	64 Å²	64	41.6 Å²	41.6	30%	0.299	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.5	-118.6	176.2	-65.1	-61	141.2	0	0	113.1	W310 G317 L372 N783	W310-E315 HydrophobicContact CB-CB 4.39Å; W310-E315 HydrophobicContact CD2-CB 3.64Å; W310-E315 HydrophobicContact CD2-CG 3.72Å; W310-E315 HydrophobicContact CE3-CB 4.22Å; W310-E315 HydrophobicContact CE3-CG 3.9Å; W310-E315 HydrophobicContact CG-CB 3.71Å; W310-E315 HydrophobicContact CG-CG 4.34Å; W310-E315 HydrophobicContact CH2-CG 3.83Å; W310-E315 HydrophobicContact CZ2-CB 4.27Å; W310-E315 HydrophobicContact CZ2-CG 3.7Å; W310-E315 HydrophobicContact CZ3-CG 3.95Å; E315-G317 VanDerWaalsContact C-N 3.35Å; E315-L372 HydrophobicContact CG-CD2 4.47Å; E315-N783 VanDerWaalsContact OE1-CA 3.26Å; E315-N783 WeakPolarHBondContact OE1-CA 3.41Å; E315-N783 PolarHBondContact OE2-ND2 3.03Å; E315-N783 PolarHBondContact OE2-OD1 3.17Å
316	T	89.6	Confident	95	Very high	108 Å²	108	34.4 Å²	34.4	66%	0.663	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-6.4	179.3	56.1	0	0	0	0	113.6	T314	T314-T316 PolarHBondContact O-N 2.86Å
317	G	91.7	Very high	94.9	Very high	12 Å²	12	33.7 Å²	33.7	12%	0.124	19%	0.189	C	C	.	.			trans	70.6	-173.5	-161.6	0	0	0	0	0	112.7	W310 T314 E315	W310-G317 CarbonylContact O-C 3.6Å; W310-G317 VanDerWaalsContact O-C 3.28Å; T314-G317 PolarHBondContact O-N 3.32Å; E315-G317 VanDerWaalsContact C-N 3.35Å
318	P	96.7	Very high	94.8	Very high	41 Å²	41	28.4 Å²	28.4	27%	0.266	17%	0.166	S	C	.	.			trans	-66.5	138.8	-174.3	28.7	-37.6	0	0	0	111.4	W309 W310 D439 K440	W309-P318 HydrophobicContact CG-CB 4.44Å; W309-P318 VanDerWaalsContact NE1-CB 3.34Å; W310-P318 VanDerWaalsContact O-CA 3.23Å; W310-P318 WeakPolarHBondContact O-CA 3.4Å; W310-P318 WeakPolarHBondContact O-CD 3.28Å; P318-D439 WeakPolarHBondContact CB-O 3.42Å; P318-K440 VanDerWaalsContact CG-O 3.3Å; P318-K440 WeakPolarHBondContact CG-O 3.23Å
319	Y	98	Very high	94.4	Very high	72 Å²	72	27.4 Å²	27.4	28%	0.282	16%	0.161	S	C	.	.			trans	-130.4	130.7	170.3	-163.3	-82.7	0	0	0	108.7	K307 Y321	K307-Y319 HydrophobicContact CB-CD1 3.75Å; K307-Y319 HydrophobicContact CB-CD2 4.16Å; K307-Y319 HydrophobicContact CB-CE1 4.16Å; K307-Y319 HydrophobicContact CB-CG 3.75Å; K307-Y319 HydrophobicContact CD-CD1 4.35Å; K307-Y319 HydrophobicContact CD-CD2 3.76Å; K307-Y319 HydrophobicContact CD-CE1 4.12Å; K307-Y319 HydrophobicContact CD-CE2 3.46Å; K307-Y319 VanDerWaalsContact CD-CE2 3.46Å; K307-Y319 HydrophobicContact CD-CG 4.18Å; Y319-Y321 HydrophobicContact CD1-CD2 4.04Å; Y319-Y321 HydrophobicContact CD1-CE1 4.47Å; Y319-Y321 AromaticContact CD1-CE2 3.57Å; Y319-Y321 HydrophobicContact CD1-CE2 3.57Å; Y319-Y321 AromaticContact CD1-CZ 3.82Å; Y319-Y321 HydrophobicContact CE1-CD1 4.21Å; Y319-Y321 HydrophobicContact CE1-CD2 4.15Å; Y319-Y321 AromaticContact CE1-CE1 3.74Å; Y319-Y321 HydrophobicContact CE1-CE1 3.74Å; Y319-Y321 AromaticContact CE1-CE2 3.69Å; Y319-Y321 HydrophobicContact CE1-CE2 3.69Å; Y319-Y321 HydrophobicContact CE1-CG 4.39Å; Y319-Y321 AromaticContact CE1-CZ 3.47Å; Y319-Y321 VanDerWaalsContact CE1-CZ 3.47Å
320	L	98.4	Very high	93.6	Very high	41 Å²	41	29.9 Å²	29.9	22%	0.215	19%	0.186	C	C	.	.			trans	-124	150.4	-178.1	-63	172.1	0	0	0	109.4	I342 D439 K440 P480	L320-I342 CarbonylContact C-O 3.52Å; L320-I342 WeakPolarHBondContact CA-O 3.31Å; L320-D439 HydrophobicContact CD1-CB 3.99Å; L320-D439 HydrophobicContact CD2-CB 4.15Å; L320-K440 HydrophobicContact CD1-CB 4.26Å; L320-P480 HydrophobicContact CD2-CG 3.8Å
321	Y	98.5	Very high	92.8	Very high	5 Å²	5	38.3 Å²	38.3	2%	0.02	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	150.6	173.2	-67.2	-92.1	0	0	0	109.5	I277 E279 L280 V306 K307 Y319 S341 I342 F344	I277-Y321 HydrophobicContact CG2-CD1 3.88Å; I277-Y321 HydrophobicContact CG2-CG 4.29Å; E279-Y321 HydrophobicContact CB-CD1 3.95Å; E279-Y321 HydrophobicContact CB-CE1 4.01Å; E279-Y321 HydrophobicContact CG-CD1 4.46Å; L280-Y321 HydrophobicContact CD1-CD1 4.09Å; L280-Y321 HydrophobicContact CD1-CE1 3.76Å; L280-Y321 HydrophobicContact CD2-CE1 3.69Å; L280-Y321 HydrophobicContact CG-CD1 3.96Å; L280-Y321 HydrophobicContact CG-CE1 3.47Å; L280-Y321 VanDerWaalsContact CG-CE1 3.47Å; V306-Y321 HydrophobicContact CG1-CE2 4.46Å; K307-Y321 PolarHBondContact N-OH 3.48Å; K307-Y321 WeakPolarHBondContact O-CE2 3.29Å; Y319-Y321 HydrophobicContact CD1-CD2 4.04Å; Y319-Y321 HydrophobicContact CD1-CE1 4.47Å; Y319-Y321 AromaticContact CD1-CE2 3.57Å; Y319-Y321 HydrophobicContact CD1-CE2 3.57Å; Y319-Y321 AromaticContact CD1-CZ 3.82Å; Y319-Y321 HydrophobicContact CE1-CD1 4.21Å; Y319-Y321 HydrophobicContact CE1-CD2 4.15Å; Y319-Y321 AromaticContact CE1-CE1 3.74Å; Y319-Y321 HydrophobicContact CE1-CE1 3.74Å; Y319-Y321 AromaticContact CE1-CE2 3.69Å; Y319-Y321 HydrophobicContact CE1-CE2 3.69Å; Y319-Y321 HydrophobicContact CE1-CG 4.39Å; Y319-Y321 AromaticContact CE1-CZ 3.47Å; Y319-Y321 VanDerWaalsContact CE1-CZ 3.47Å; Y321-S341 WeakPolarHBondContact O-CA 3.35Å; Y321-I342 PolarHBondContact N-O 3.32Å; Y321-I342 WeakPolarHBondContact O-CG1 3.44Å; Y321-I342 PolarHBondContact O-N 3.24Å; Y321-F344 AromaticContact CD2-CD2 3.6Å; Y321-F344 HydrophobicContact CD2-CD2 3.6Å; Y321-F344 AromaticContact CD2-CE2 3.6Å; Y321-F344 HydrophobicContact CD2-CE2 3.6Å; Y321-F344 AromaticContact CE2-CD2 3.69Å; Y321-F344 HydrophobicContact CE2-CD2 3.69Å; Y321-F344 AromaticContact CE2-CE2 3.93Å; Y321-F344 HydrophobicContact CE2-CE2 3.93Å; Y321-F344 HydrophobicContact CG-CE2 4.18Å
322	T	98.1	Very high	92	Very high	58 Å²	58	40.2 Å²	40.2	36%	0.356	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	112.7	170.2	-61.2	0	0	0	0	110	E279 V324	E279-T322 PolarHBondContact OE1-N 2.81Å; T322-V324 HydrophobicContact CG2-CG2 4Å
323	L	98.2	Very high	91.7	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	120.2	169.8	172.5	64.1	0	0	0	109.4	F236 I254 I277 L325 E339 Y340 I342	F236-L323 HydrophobicContact CE2-CD2 4.33Å; F236-L323 HydrophobicContact CZ-CD2 3.69Å; I254-L323 HydrophobicContact CG2-CD2 4.12Å; I277-L323 HydrophobicContact CD1-CD1 4.29Å; I277-L323 HydrophobicContact CG1-CB 4.38Å; I277-L323 HydrophobicContact CG1-CD1 3.74Å; L323-L325 HydrophobicContact CD1-CD2 4.01Å; L323-L325 HydrophobicContact CD2-CD2 4.35Å; L323-L325 HydrophobicContact CG-CD2 4.09Å; L323-E339 WeakPolarHBondContact O-CA 3.25Å; L323-Y340 PolarHBondContact N-O 3.48Å; L323-Y340 PolarHBondContact O-N 3.41Å; L323-I342 HydrophobicContact CB-CD1 3.73Å; L323-I342 HydrophobicContact CB-CG1 3.99Å; L323-I342 HydrophobicContact CB-CG2 4.4Å; L323-I342 HydrophobicContact CD2-CD1 4.23Å; L323-I342 HydrophobicContact CD2-CG2 4.45Å
324	V	98.1	Very high	91.9	Very high	14 Å²	14	39.8 Å²	39.8	9%	0.085	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	130.2	177.4	-169.7	0	0	0	0	109.6	S275 Y276 T322 Y326 K337 E339	S275-V324 CarbonylContact C-O 3.42Å; S275-V324 WeakPolarHBondContact CA-O 3.26Å; Y276-V324 PolarHBondContact N-O 2.87Å; Y276-V324 PolarHBondContact O-N 2.9Å; T322-V324 HydrophobicContact CG2-CG2 4Å; V324-Y326 HydrophobicContact CB-CE2 4.13Å; V324-Y326 HydrophobicContact CG1-CD2 4.14Å; V324-Y326 HydrophobicContact CG1-CE1 4.4Å; V324-Y326 HydrophobicContact CG1-CE2 3.41Å; V324-Y326 VanDerWaalsContact CG1-CE2 3.41Å; V324-K337 HydrophobicContact CG1-CD 4.39Å; V324-K337 HydrophobicContact CG1-CG 4.21Å; V324-E339 HydrophobicContact CG1-CG 4.09Å; V324-E339 HydrophobicContact CG2-CG 4.17Å
325	L	97.6	Very high	91.9	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	134.6	174.9	-56.1	-174.1	0	0	0	110.9	F232 F236 I254 V256 I273 Y274 L323 K337 K338 Y340	F232-L325 HydrophobicContact CE1-CB 4.48Å; F232-L325 HydrophobicContact CE2-CB 4.17Å; F232-L325 HydrophobicContact CZ-CB 3.77Å; F236-L325 HydrophobicContact CD2-CD1 4.39Å; F236-L325 HydrophobicContact CE2-CD1 4Å; I254-L325 HydrophobicContact CD1-CD1 3.88Å; I254-L325 HydrophobicContact CD1-CD2 3.85Å; V256-L325 HydrophobicContact CG1-CD1 4.28Å; V256-L325 HydrophobicContact CG2-CD1 3.83Å; I273-L325 HydrophobicContact CG2-CB 4.47Å; I273-L325 HydrophobicContact CG2-CD2 4.36Å; Y274-L325 CarbonylContact O-C 3.57Å; Y274-L325 VanDerWaalsContact O-CA 3.29Å; Y274-L325 WeakPolarHBondContact O-CA 3.24Å; L323-L325 HydrophobicContact CD1-CD2 4.01Å; L323-L325 HydrophobicContact CD2-CD2 4.35Å; L323-L325 HydrophobicContact CG-CD2 4.09Å; L325-K337 VanDerWaalsContact O-CA 3.26Å; L325-K337 WeakPolarHBondContact O-CA 3.11Å; L325-K338 PolarHBondContact N-O 3.08Å; L325-K338 PolarHBondContact O-N 2.78Å; L325-Y340 HydrophobicContact CD1-CD2 4.36Å; L325-Y340 HydrophobicContact CD1-CE2 3.92Å; L325-Y340 HydrophobicContact CG-CE2 4.41Å
326	Y	95.7	Very high	92.2	Very high	20 Å²	20	36.8 Å²	36.8	8%	0.078	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	124	174.5	-59.8	-92.9	0	0	0	109.8	M20 I273 Y274 V324 L334 K337	M20-Y326 HydrophobicContact CE-CE2 4.16Å; M20-Y326 HydrophobicContact SD-CE2 4.34Å; I273-Y326 CarbonylContact C-O 3.34Å; I273-Y326 VanDerWaalsContact CA-O 3.32Å; I273-Y326 WeakPolarHBondContact CA-O 3.34Å; Y274-Y326 PolarHBondContact N-O 3.48Å; Y274-Y326 PolarHBondContact O-N 3.05Å; V324-Y326 HydrophobicContact CB-CE2 4.13Å; V324-Y326 HydrophobicContact CG1-CD2 4.14Å; V324-Y326 HydrophobicContact CG1-CE1 4.4Å; V324-Y326 HydrophobicContact CG1-CE2 3.41Å; V324-Y326 VanDerWaalsContact CG1-CE2 3.41Å; Y326-L334 HydrophobicContact CD1-CD1 3.79Å; Y326-L334 HydrophobicContact CG-CD1 4.34Å; Y326-K337 HydrophobicContact CD1-CB 4.34Å; Y326-K337 HydrophobicContact CD1-CD 4.31Å; Y326-K337 HydrophobicContact CD1-CG 4.06Å; Y326-K337 HydrophobicContact CE1-CD 3.75Å; Y326-K337 HydrophobicContact CE1-CG 3.97Å
327	L	94.6	Very high	92.5	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	127.1	174.5	-173.8	61.2	0	0	0	109.6	F230 F232 L258 I273 F288 V335 D336	F230-L327 HydrophobicContact CD1-CD1 4.44Å; F230-L327 HydrophobicContact CD1-CD2 3.67Å; F230-L327 HydrophobicContact CD1-CG 4.16Å; F230-L327 HydrophobicContact CE1-CD1 3.92Å; F230-L327 HydrophobicContact CE1-CD2 3.85Å; F230-L327 HydrophobicContact CE1-CG 4.15Å; F230-L327 HydrophobicContact CG-CD2 4.45Å; F232-L327 HydrophobicContact CD2-CB 4.29Å; F232-L327 HydrophobicContact CE1-CB 4.2Å; F232-L327 HydrophobicContact CE2-CB 3.62Å; F232-L327 HydrophobicContact CZ-CB 3.58Å; L258-L327 HydrophobicContact CD2-CD1 4.19Å; L258-L327 HydrophobicContact CD2-CD2 4.03Å; I273-L327 HydrophobicContact CG1-CD1 3.73Å; F288-L327 HydrophobicContact CZ-CD1 3.99Å; L327-V335 HydrophobicContact CB-CG2 3.97Å; L327-V335 HydrophobicContact CD2-CG2 3.83Å; L327-V335 HydrophobicContact CG-CG2 3.61Å; L327-V335 VanDerWaalsContact O-CG2 3.32Å; L327-V335 WeakPolarHBondContact O-CG2 3.35Å; L327-V335 PolarHBondContact O-N 2.87Å; L327-D336 HydrophobicContact CB-CB 4.11Å; L327-D336 HydrophobicContact CD2-CB 4.32Å; L327-D336 PolarHBondContact N-O 2.94Å; L327-D336 PolarHBondContact O-N 2.91Å
328	T	92.1	Very high	92.7	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.006	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	156.1	-178.6	65.6	0	0	0	0	112	A271 C272 Y274 K333 L334	A271-T328 CarbonylContact C-O 3.55Å; A271-T328 VanDerWaalsContact CA-O 3.25Å; A271-T328 WeakPolarHBondContact CA-O 3.48Å; C272-T328 PolarHBondContact N-O 3.28Å; C272-T328 PolarHBondContact O-N 3.47Å; C272-T328 PolarHBondContact O-OG1 3.13Å; C272-T328 VanDerWaalsContact O-OG1 3.11Å; Y274-T328 HydrophobicContact CD2-CG2 3.99Å; Y274-T328 HydrophobicContact CE2-CG2 3.85Å; Y274-T328 WeakPolarHBondContact CE2-OG1 3.26Å; T328-K333 CarbonylContact C-O 3.52Å; T328-K333 WeakPolarHBondContact CA-O 3.26Å; T328-K333 WeakPolarHBondContact CB-O 3.24Å; T328-L334 HydrophobicContact CG2-CD1 4.39Å
329	V	87.8	Confident	92.6	Very high	6 Å²	6	39.5 Å²	39.5	4%	0.036	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	155	175.2	-59.4	0	0	0	0	110.9	L228 F230 A271 M290 F331 K333 V335	L228-V329 HydrophobicContact CD1-CG2 3.73Å; F230-V329 HydrophobicContact CD1-CG1 4.01Å; F230-V329 HydrophobicContact CE1-CG1 4.42Å; A271-V329 HydrophobicContact CB-CG1 4.16Å; M290-V329 HydrophobicContact CE-CG1 4.06Å; V329-F331 PolarHBondContact O-N 3.42Å; V329-K333 HydrophobicContact CG2-CB 4.39Å; V329-K333 PolarHBondContact N-O 3.37Å; V329-K333 WeakPolarHBondContact O-CB 3.32Å; V329-K333 PolarHBondContact O-N 3.16Å; V329-V335 HydrophobicContact CG1-CG1 4.38Å; V329-V335 HydrophobicContact CG1-CG2 4.33Å; V329-V335 HydrophobicContact CG2-CG1 3.72Å
330	G	82.3	Confident	92.6	Very high	51 Å²	51	36.9 Å²	36.9	53%	0.526	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	60	-132.5	176.8	0	0	0	0	0	112.8	N332	G330-N332 PolarHBondContact O-N 2.87Å
331	F	78.5	Confident	92.6	Very high	208 Å²	208	36.9 Å²	36.9	91%	0.912	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.4	55.6	175	-63.6	-77.1	0	0	0	112.4	V329 K333	V329-F331 PolarHBondContact O-N 3.42Å; F331-K333 VanDerWaalsContact C-N 3.29Å; F331-K333 PolarHBondContact O-N 3.35Å
332	N	80.5	Confident	92.6	Very high	39 Å²	39	36.7 Å²	36.7	21%	0.209	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	31.4	-179.7	-62.8	-38.2	0	0	0	115.2	Y274 G330 L334	Y274-N332 PolarHBondContact OH-OD1 3.38Å; G330-N332 PolarHBondContact O-N 2.87Å; N332-L334 PolarHBondContact O-N 2.79Å
333	K	86	Confident	92.5	Very high	78 Å²	78	34.1 Å²	34.1	34%	0.339	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	118.6	173.2	-175.8	-179.9	-179.9	178.8	0	109.3	T328 V329 F331	T328-K333 CarbonylContact C-O 3.52Å; T328-K333 WeakPolarHBondContact CA-O 3.26Å; T328-K333 WeakPolarHBondContact CB-O 3.24Å; V329-K333 HydrophobicContact CG2-CB 4.39Å; V329-K333 PolarHBondContact N-O 3.37Å; V329-K333 WeakPolarHBondContact O-CB 3.32Å; V329-K333 PolarHBondContact O-N 3.16Å; F331-K333 VanDerWaalsContact C-N 3.29Å; F331-K333 PolarHBondContact O-N 3.35Å
334	L	90.2	Very high	92.5	Very high	15 Å²	15	34.1 Å²	34.1	8%	0.079	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	132.5	174.1	-174.5	68.3	0	0	0	110.3	I29 Y326 T328 N332 D336	I29-L334 VanDerWaalsContact O-O 3.12Å; Y326-L334 HydrophobicContact CD1-CD1 3.79Å; Y326-L334 HydrophobicContact CG-CD1 4.34Å; T328-L334 HydrophobicContact CG2-CD1 4.39Å; N332-L334 PolarHBondContact O-N 2.79Å; L334-D336 WeakPolarHBondContact CD1-O 3.41Å
335	V	89.8	Confident	92.4	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	-29.6	175.8	-63.7	0	0	0	0	112.7	T31 P227 L228 F230 L327 V329	T31-V335 PolarHBondContact N-O 3.37Å; T31-V335 VanDerWaalsContact N-O 3.08Å; T31-V335 PolarHBondContact OG1-O 3.26Å; P227-V335 HydrophobicContact CB-CB 4.36Å; P227-V335 HydrophobicContact CB-CG1 4.23Å; P227-V335 HydrophobicContact CG-CB 4.32Å; L228-V335 HydrophobicContact CD1-CG1 4.4Å; F230-V335 HydrophobicContact CD1-CG2 4.41Å; L327-V335 HydrophobicContact CB-CG2 3.97Å; L327-V335 HydrophobicContact CD2-CG2 3.83Å; L327-V335 HydrophobicContact CG-CG2 3.61Å; L327-V335 VanDerWaalsContact O-CG2 3.32Å; L327-V335 WeakPolarHBondContact O-CG2 3.35Å; L327-V335 PolarHBondContact O-N 2.87Å; V329-V335 HydrophobicContact CG1-CG1 4.38Å; V329-V335 HydrophobicContact CG1-CG2 4.33Å; V329-V335 HydrophobicContact CG2-CG1 3.72Å
336	D	94.2	Very high	92.3	Very high	3 Å²	3	34.9 Å²	34.9	2%	0.016	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	158.3	177.3	-159.2	6	0	0	0	112.6	R231 F232 L327 L334	R231-D336 HydrophobicContact CB-CB 4.49Å; R231-D336 WeakPolarHBondContact CB-OD2 3.33Å; F232-D336 HydrophobicContact CD2-CB 3.86Å; F232-D336 WeakPolarHBondContact CD2-OD2 3.5Å; F232-D336 HydrophobicContact CE2-CB 4.26Å; F232-D336 PolarHBondContact N-OD2 2.99Å; L327-D336 HydrophobicContact CB-CB 4.11Å; L327-D336 HydrophobicContact CD2-CB 4.32Å; L327-D336 PolarHBondContact N-O 2.94Å; L327-D336 PolarHBondContact O-N 2.91Å; L334-D336 WeakPolarHBondContact CD1-O 3.41Å
337	K	95	Very high	92.3	Very high	51 Å²	51	34 Å²	34	22%	0.222	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	129.6	177.2	178.4	-167	175.6	-168.1	0	110.4	K30 V324 L325 Y326 E339	K30-K337 HydrophobicContact CD-CB 4.36Å; V324-K337 HydrophobicContact CG1-CD 4.39Å; V324-K337 HydrophobicContact CG1-CG 4.21Å; L325-K337 VanDerWaalsContact O-CA 3.26Å; L325-K337 WeakPolarHBondContact O-CA 3.11Å; Y326-K337 HydrophobicContact CD1-CB 4.34Å; Y326-K337 HydrophobicContact CD1-CD 4.31Å; Y326-K337 HydrophobicContact CD1-CG 4.06Å; Y326-K337 HydrophobicContact CE1-CD 3.75Å; Y326-K337 HydrophobicContact CE1-CG 3.97Å; K337-E339 WeakPolarHBondContact CE-OE1 3.3Å; K337-E339 IonicContact NZ-OE1 2.83Å; K337-E339 PolarHBondContact NZ-OE1 3.15Å
338	K	95.6	Very high	92.3	Very high	58 Å²	58	36.7 Å²	36.7	25%	0.252	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	151.5	172.6	-75.6	-76.2	-171.6	170	0	111.3	F232 L325 Y340	F232-K338 HydrophobicContact CB-CG 3.77Å; F232-K338 HydrophobicContact CD2-CB 4.05Å; F232-K338 HydrophobicContact CD2-CG 3.56Å; F232-K338 HydrophobicContact CE2-CB 4.41Å; F232-K338 HydrophobicContact CE2-CG 4.38Å; F232-K338 HydrophobicContact CG-CG 3.88Å; L325-K338 PolarHBondContact N-O 3.08Å; L325-K338 PolarHBondContact O-N 2.78Å; K338-Y340 HydrophobicContact CB-CD2 4.39Å; K338-Y340 HydrophobicContact CB-CE2 3.57Å; K338-Y340 HydrophobicContact CG-CE2 4.42Å
339	E	96.2	Very high	92.6	Very high	110 Å²	110	37.8 Å²	37.8	51%	0.514	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	133.5	176.3	-66.2	-179.1	-174.7	0	0	108.7	L323 V324 K337	L323-E339 WeakPolarHBondContact O-CA 3.25Å; V324-E339 HydrophobicContact CG1-CG 4.09Å; V324-E339 HydrophobicContact CG2-CG 4.17Å; K337-E339 WeakPolarHBondContact CE-OE1 3.3Å; K337-E339 IonicContact NZ-OE1 2.83Å; K337-E339 PolarHBondContact NZ-OE1 3.15Å
340	Y	97.5	Very high	93.1	Very high	16 Å²	16	38.2 Å²	38.2	6%	0.063	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	133.8	-179.2	-61	-84.2	0	0	0	110.1	F236 L323 L325 K338 Y478	F236-Y340 HydrophobicContact CB-CD1 4.32Å; F236-Y340 HydrophobicContact CB-CE1 3.54Å; F236-Y340 HydrophobicContact CB-CE2 4.47Å; F236-Y340 AromaticContact CD1-CD1 3.28Å; F236-Y340 HydrophobicContact CD1-CD1 3.28Å; F236-Y340 HydrophobicContact CD1-CD2 4.02Å; F236-Y340 AromaticContact CD1-CE1 3.42Å; F236-Y340 HydrophobicContact CD1-CE1 3.42Å; F236-Y340 VanDerWaalsContact CD1-CE1 3.42Å; F236-Y340 HydrophobicContact CD1-CE2 4.14Å; F236-Y340 AromaticContact CD1-CG 3.6Å; F236-Y340 HydrophobicContact CD1-CG 3.6Å; F236-Y340 AromaticContact CD1-CZ 3.86Å; F236-Y340 HydrophobicContact CD2-CD2 4.13Å; F236-Y340 HydrophobicContact CD2-CE1 4.19Å; F236-Y340 AromaticContact CD2-CE2 3.72Å; F236-Y340 HydrophobicContact CD2-CE2 3.72Å; F236-Y340 AromaticContact CD2-CZ 3.75Å; F236-Y340 AromaticContact CE1-CD1 3.69Å; F236-Y340 HydrophobicContact CE1-CD1 3.69Å; F236-Y340 AromaticContact CE1-CD2 3.88Å; F236-Y340 HydrophobicContact CE1-CD2 3.88Å; F236-Y340 HydrophobicContact CE1-CE1 4.21Å; F236-Y340 HydrophobicContact CE1-CE2 4.38Å; F236-Y340 AromaticContact CE1-CG 3.5Å; F236-Y340 HydrophobicContact CE1-CG 3.5Å; F236-Y340 AromaticContact CE2-CD2 3.99Å; F236-Y340 HydrophobicContact CE2-CD2 3.99Å; F236-Y340 AromaticContact CE2-CE2 3.98Å; F236-Y340 HydrophobicContact CE2-CE2 3.98Å; F236-Y340 HydrophobicContact CE2-CG 4.45Å; F236-Y340 AromaticContact CG-CD1 3.8Å; F236-Y340 HydrophobicContact CG-CD1 3.8Å; F236-Y340 HydrophobicContact CG-CD2 4.17Å; F236-Y340 AromaticContact CG-CE1 3.42Å; F236-Y340 HydrophobicContact CG-CE1 3.42Å; F236-Y340 VanDerWaalsContact CG-CE1 3.42Å; F236-Y340 AromaticContact CG-CE2 3.83Å; F236-Y340 HydrophobicContact CG-CE2 3.83Å; F236-Y340 HydrophobicContact CG-CG 4.15Å; F236-Y340 AromaticContact CG-CZ 3.44Å; F236-Y340 VanDerWaalsContact CG-CZ 3.44Å; F236-Y340 HydrophobicContact CZ-CD1 4.5Å; F236-Y340 AromaticContact CZ-CD2 3.89Å; F236-Y340 HydrophobicContact CZ-CD2 3.89Å; F236-Y340 HydrophobicContact CZ-CE2 4.32Å; F236-Y340 AromaticContact CZ-CG 3.98Å; F236-Y340 HydrophobicContact CZ-CG 3.98Å; L323-Y340 PolarHBondContact N-O 3.48Å; L323-Y340 PolarHBondContact O-N 3.41Å; L325-Y340 HydrophobicContact CD1-CD2 4.36Å; L325-Y340 HydrophobicContact CD1-CE2 3.92Å; L325-Y340 HydrophobicContact CG-CE2 4.41Å; K338-Y340 HydrophobicContact CB-CD2 4.39Å; K338-Y340 HydrophobicContact CB-CE2 3.57Å; K338-Y340 HydrophobicContact CG-CE2 4.42Å; Y340-Y478 HydrophobicContact CD1-CD1 4.46Å; Y340-Y478 HydrophobicContact CD1-CD2 4.3Å; Y340-Y478 HydrophobicContact CD1-CE1 4.23Å; Y340-Y478 HydrophobicContact CD1-CE2 4.06Å; Y340-Y478 HydrophobicContact CD1-CG 4.49Å; Y340-Y478 HydrophobicContact CE1-CE1 4.48Å
341	S	97.6	Very high	93.8	Very high	42 Å²	42	36.7 Å²	36.7	29%	0.294	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	109.7	167.8	-63.4	0	0	0	0	108.4	Y321	Y321-S341 WeakPolarHBondContact O-CA 3.35Å
342	I	98.2	Very high	94.6	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	149.1	-175.6	54.9	161.5	0	0	0	110.9	F236 F238 I277 L320 Y321 L323 F344	F236-I342 HydrophobicContact CE1-CG2 4.23Å; F238-I342 HydrophobicContact CB-CG2 4.34Å; F238-I342 HydrophobicContact CD1-CB 4.14Å; F238-I342 HydrophobicContact CD1-CG2 4.22Å; F238-I342 HydrophobicContact CD2-CB 4.36Å; F238-I342 HydrophobicContact CD2-CD1 4.11Å; F238-I342 HydrophobicContact CD2-CG2 3.98Å; F238-I342 HydrophobicContact CE1-CB 4.03Å; F238-I342 HydrophobicContact CE1-CD1 4.28Å; F238-I342 HydrophobicContact CE2-CB 4.3Å; F238-I342 HydrophobicContact CE2-CD1 3.41Å; F238-I342 VanDerWaalsContact CE2-CD1 3.41Å; F238-I342 HydrophobicContact CE2-CG1 4.44Å; F238-I342 HydrophobicContact CE2-CG2 4.35Å; F238-I342 HydrophobicContact CG-CB 4.3Å; F238-I342 HydrophobicContact CG-CG2 3.93Å; F238-I342 HydrophobicContact CZ-CB 4.14Å; F238-I342 HydrophobicContact CZ-CD1 3.52Å; F238-I342 HydrophobicContact CZ-CG1 4.35Å; I277-I342 HydrophobicContact CD1-CD1 4.05Å; L320-I342 CarbonylContact C-O 3.52Å; L320-I342 WeakPolarHBondContact CA-O 3.31Å; Y321-I342 PolarHBondContact N-O 3.32Å; Y321-I342 WeakPolarHBondContact O-CG1 3.44Å; Y321-I342 PolarHBondContact O-N 3.24Å; L323-I342 HydrophobicContact CB-CD1 3.73Å; L323-I342 HydrophobicContact CB-CG1 3.99Å; L323-I342 HydrophobicContact CB-CG2 4.4Å; L323-I342 HydrophobicContact CD2-CD1 4.23Å; L323-I342 HydrophobicContact CD2-CG2 4.45Å; I342-F344 HydrophobicContact CD1-CE2 4.18Å; I342-F344 HydrophobicContact CD1-CZ 4.35Å
343	G	97.8	Very high	95.3	Very high	5 Å²	5	33.2 Å²	33.2	5%	0.052	16%	0.16	C	C	.	.			trans	-127.5	138.1	175	0	0	0	0	0	111.4
344	F	97.5	Very high	95.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.145	C	C	.	.	B	Isolated β-bridge	trans	-90.8	114.2	176.6	-68	-99.6	0	0	0	109.5	F238 A240 W250 A252 L280 L300 V306 L308 W309 Y321 I342	F238-F344 HydrophobicContact CZ-CD1 4.31Å; F238-F344 AromaticContact CZ-CE1 3.83Å; F238-F344 HydrophobicContact CZ-CE1 3.83Å; F238-F344 HydrophobicContact CZ-CE2 4.21Å; F238-F344 AromaticContact CZ-CZ 3.75Å; F238-F344 HydrophobicContact CZ-CZ 3.75Å; A240-F344 HydrophobicContact CB-CD1 3.78Å; A240-F344 HydrophobicContact CB-CE1 4.41Å; A240-F344 HydrophobicContact CB-CG 4.4Å; W250-F344 HydrophobicContact CE3-CB 4.22Å; W250-F344 HydrophobicContact CE3-CD1 4.07Å; W250-F344 HydrophobicContact CZ3-CB 4.35Å; A252-F344 HydrophobicContact CB-CE1 3.82Å; A252-F344 HydrophobicContact CB-CZ 4.42Å; L280-F344 HydrophobicContact CD1-CE2 4.44Å; L300-F344 HydrophobicContact CD1-CE1 4.04Å; L300-F344 HydrophobicContact CD1-CZ 3.74Å; L300-F344 HydrophobicContact CD2-CE1 4.25Å; V306-F344 HydrophobicContact CG1-CB 3.42Å; V306-F344 VanDerWaalsContact CG1-CB 3.42Å; V306-F344 HydrophobicContact CG1-CD1 3.76Å; V306-F344 HydrophobicContact CG1-CD2 3.62Å; V306-F344 HydrophobicContact CG1-CE1 4.43Å; V306-F344 HydrophobicContact CG1-CE2 4.33Å; V306-F344 HydrophobicContact CG1-CG 3.31Å; L308-F344 CarbonylContact C-O 3.59Å; L308-F344 VanDerWaalsContact CA-O 3.31Å; L308-F344 WeakPolarHBondContact CA-O 3.38Å; L308-F344 HydrophobicContact CD2-CB 4.29Å; W309-F344 PolarHBondContact N-O 2.8Å; Y321-F344 AromaticContact CD2-CD2 3.6Å; Y321-F344 HydrophobicContact CD2-CD2 3.6Å; Y321-F344 AromaticContact CD2-CE2 3.6Å; Y321-F344 HydrophobicContact CD2-CE2 3.6Å; Y321-F344 AromaticContact CE2-CD2 3.69Å; Y321-F344 HydrophobicContact CE2-CD2 3.69Å; Y321-F344 AromaticContact CE2-CE2 3.93Å; Y321-F344 HydrophobicContact CE2-CE2 3.93Å; Y321-F344 HydrophobicContact CG-CE2 4.18Å; I342-F344 HydrophobicContact CD1-CE2 4.18Å; I342-F344 HydrophobicContact CD1-CZ 4.35Å
345	R	96	Very high	95.7	Very high	12 Å²	12	31.4 Å²	31.4	5%	0.045	15%	0.154	C	C	.	.			trans	-159.4	152.9	175.9	63.4	100.2	177.3	118.6	0.3	112.4	W309 N370 P480 I482	W309-R345 HydrophobicContact CB-CB 4.31Å; W309-R345 HydrophobicContact CB-CG 4.43Å; W309-R345 HydrophobicContact CE3-CG 4.24Å; R345-N370 WeakPolarHBondContact CA-OD1 3.39Å; R345-N370 WeakPolarHBondContact CB-OD1 3.47Å; R345-P480 HydrophobicContact CG-CB 4.05Å; R345-P480 PolarHBondContact NE-O 2.57Å; R345-P480 PolarHBondContact NH2-O 3.39Å; R345-I482 PolarHBondContact NH2-O 2.99Å
346	E	94.4	Very high	95.7	Very high	17 Å²	17	35.8 Å²	35.8	8%	0.079	18%	0.184	C	C	.	.			trans	-103.9	139.2	166.4	-73.9	165.5	167.4	0	0	108.7	S242 K248 W250 T369 N370	S242-E346 WeakPolarHBondContact CB-OE1 3.44Å; S242-E346 PolarHBondContact N-OE1 3.06Å; S242-E346 PolarHBondContact OG-OE1 2.92Å; S242-E346 PolarHBondContact OG-OE2 3.46Å; K248-E346 IonicContact NZ-OE2 3.67Å; K248-E346 PolarHBondContact NZ-OE2 2.92Å; W250-E346 HydrophobicContact CH2-CG 3.88Å; W250-E346 HydrophobicContact CZ3-CG 4.31Å; E346-T369 CarbonylContact O-C 3.58Å; E346-T369 WeakPolarHBondContact O-CA 3.36Å; E346-N370 PolarHBondContact N-OD1 3.33Å; E346-N370 PolarHBondContact O-N 3.48Å
347	V	96.1	Very high	95.7	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.012	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	140.6	171.2	74.7	0	0	0	0	110	K368 I483 R545	V347-K368 WeakPolarHBondContact CA-O 3.49Å; V347-I483 HydrophobicContact CG2-CB 3.68Å; V347-I483 HydrophobicContact CG2-CG2 3.84Å; V347-R545 HydrophobicContact CG1-CG 3.96Å
348	E	95.9	Very high	95.5	Very high	56 Å²	56	43 Å²	43	26%	0.262	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	135.1	179.3	-65	172.6	-137.6	0	0	109	I350 F367 K368 K543	E348-I350 HydrophobicContact CB-CD1 4.04Å; E348-F367 CarbonylContact O-C 3.58Å; E348-F367 VanDerWaalsContact O-CA 3.31Å; E348-F367 WeakPolarHBondContact O-CA 3.3Å; E348-K368 HydrophobicContact CB-CB 4.45Å; E348-K368 PolarHBondContact N-O 3.42Å; E348-K368 PolarHBondContact O-N 3.26Å; E348-K543 HydrophobicContact CG-CD 4.06Å; E348-K543 WeakPolarHBondContact OE1-CD 3.49Å; E348-K543 IonicContact OE1-NZ 2.89Å; E348-K543 PolarHBondContact OE1-NZ 2.65Å
349	L	97.7	Very high	95.3	Very high	25 Å²	25	45.3 Å²	45.3	13%	0.131	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	126.8	163.1	177.6	68.5	0	0	0	108.4	E351 F365 F367 R546 L548	L349-E351 HydrophobicContact CD2-CG 3.88Å; L349-E351 HydrophobicContact CG-CG 3.82Å; L349-F365 HydrophobicContact CD1-CD1 4.01Å; L349-F365 HydrophobicContact CD1-CD2 3.99Å; L349-F365 HydrophobicContact CD1-CE1 3.94Å; L349-F365 HydrophobicContact CD1-CE2 3.94Å; L349-F365 HydrophobicContact CD1-CG 4.08Å; L349-F365 HydrophobicContact CD1-CZ 3.93Å; L349-F365 HydrophobicContact CD2-CD2 4.13Å; L349-F365 HydrophobicContact CD2-CE2 3.62Å; L349-F365 HydrophobicContact CD2-CZ 4.04Å; L349-F365 HydrophobicContact CG-CD2 4.48Å; L349-F365 HydrophobicContact CG-CE2 4.34Å; L349-F367 HydrophobicContact CB-CD1 4.19Å; L349-F367 HydrophobicContact CB-CE1 3.96Å; L349-F367 HydrophobicContact CD1-CD1 4.04Å; L349-F367 HydrophobicContact CD1-CD2 4.44Å; L349-F367 HydrophobicContact CD1-CE1 3.69Å; L349-F367 HydrophobicContact CD1-CE2 4.13Å; L349-F367 HydrophobicContact CD1-CG 4.41Å; L349-F367 HydrophobicContact CD1-CZ 3.75Å; L349-F367 HydrophobicContact CG-CE1 4.31Å; L349-R546 HydrophobicContact CB-CB 3.97Å; L349-R546 HydrophobicContact CB-CG 4.18Å; L349-R546 HydrophobicContact CD2-CB 4.22Å; L349-R546 HydrophobicContact CD2-CG 3.62Å; L349-L548 HydrophobicContact CD2-CD2 3.86Å
350	I	97.2	Very high	95.1	Very high	15 Å²	15	42.8 Å²	42.8	8%	0.077	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	118	-178.3	-52.1	-59.6	0	0	0	110.8	E348 D352 T364 F365 Y366 K368	E348-I350 HydrophobicContact CB-CD1 4.04Å; I350-D352 HydrophobicContact CG2-CB 4.4Å; I350-D352 WeakPolarHBondContact CG2-OD2 3.23Å; I350-T364 CarbonylContact O-C 3.31Å; I350-T364 PolarHBondContact O-OG1 2.72Å; I350-F365 WeakPolarHBondContact O-CA 3.24Å; I350-Y366 HydrophobicContact CB-CD1 4.01Å; I350-Y366 HydrophobicContact CB-CD2 4.34Å; I350-Y366 HydrophobicContact CB-CE1 3.57Å; I350-Y366 HydrophobicContact CB-CE2 3.95Å; I350-Y366 HydrophobicContact CB-CG 4.36Å; I350-Y366 HydrophobicContact CG1-CD2 4.31Å; I350-Y366 HydrophobicContact CG1-CE1 4.29Å; I350-Y366 HydrophobicContact CG1-CE2 3.76Å; I350-Y366 HydrophobicContact CG2-CD1 4.42Å; I350-Y366 HydrophobicContact CG2-CE1 3.57Å; I350-Y366 HydrophobicContact CG2-CE2 4.48Å; I350-Y366 WeakPolarHBondContact CG2-OH 3.25Å; I350-Y366 PolarHBondContact N-O 3.04Å; I350-Y366 PolarHBondContact O-N 3.43Å; I350-K368 HydrophobicContact CD1-CD 4.05Å; I350-K368 HydrophobicContact CG1-CD 3.89Å; I350-K368 HydrophobicContact CG1-CG 4.02Å
351	E	96.8	Very high	94.8	Very high	19 Å²	19	43 Å²	43	9%	0.089	25%	0.25	C	C	.	.			trans	-124.5	36.5	-174.4	-52.1	-169.6	73.8	0	0	112.6	L349 R363 T364 F365 R546 G555 Y556	L349-E351 HydrophobicContact CD2-CG 3.88Å; L349-E351 HydrophobicContact CG-CG 3.82Å; E351-R363 VanDerWaalsContact O-CD 3.26Å; E351-R363 WeakPolarHBondContact O-CD 3.22Å; E351-R363 WeakPolarHBondContact O-CG 3.43Å; E351-R363 PolarHBondContact O-NH1 2.83Å; E351-T364 WeakPolarHBondContact CA-O 3.45Å; E351-F365 HydrophobicContact CG-CD2 4.39Å; E351-R546 IonicContact OE2-CZ 3.85Å; E351-R546 IonicContact OE2-NE 3.5Å; E351-R546 PolarHBondContact OE2-NE 3.17Å; E351-R546 VanDerWaalsContact OE2-NE 3.07Å; E351-R546 IonicContact OE2-NH2 3.94Å; E351-R546 PolarHBondContact OE2-NH2 3.19Å; E351-G555 VanDerWaalsContact OE1-CA 3.28Å; E351-G555 WeakPolarHBondContact OE1-CA 3.49Å; E351-Y556 PolarHBondContact OE1-N 2.75Å
352	D	95.7	Very high	94.6	Very high	100 Å²	100	41 Å²	41	54%	0.535	24%	0.236	S	C	.	.			trans	-71.6	156.4	-179.3	-65.4	-32.3	0	0	0	111.8	I350 V354 R363 T364	I350-D352 HydrophobicContact CG2-CB 4.4Å; I350-D352 WeakPolarHBondContact CG2-OD2 3.23Å; D352-V354 PolarHBondContact O-N 3.28Å; D352-R363 CarbonylContact O-C 3.53Å; D352-R363 WeakPolarHBondContact O-CA 2.96Å; D352-R363 WeakPolarHBondContact O-CB 3.06Å; D352-T364 PolarHBondContact N-OG1 3.32Å; D352-T364 PolarHBondContact O-N 2.88Å; D352-T364 PolarHBondContact O-OG1 2.95Å
353	Y	95.3	Very high	94.5	Very high	74 Å²	74	42.7 Å²	42.7	29%	0.29	24%	0.242	S	C	.	.	B	Isolated β-bridge	trans	-59.6	131.6	168.7	-74.5	-71.8	0	0	0	110.9	D355 I359 R363 K705	Y353-D355 PolarHBondContact O-N 3.11Å; Y353-I359 HydrophobicContact CD1-CB 4.22Å; Y353-I359 HydrophobicContact CD1-CG2 4.21Å; Y353-I359 HydrophobicContact CE1-CB 4.07Å; Y353-I359 HydrophobicContact CE1-CG2 4.19Å; Y353-I359 HydrophobicContact CG-CG2 4.5Å; Y353-R363 HydrophobicContact CD1-CG 3.97Å; Y353-R363 HydrophobicContact CE1-CG 4.11Å; Y353-R363 HydrophobicContact CG-CG 4.45Å; Y353-K705 PolarHBondContact O-NZ 2.85Å
354	V	92.9	Very high	94.4	Very high	5 Å²	5	42.8 Å²	42.8	3%	0.03	24%	0.241	C	C	.	.	S	Bend	trans	-60.2	-40.5	177.6	176.1	0	0	0	0	110.3	D352 L361 G362 T364 I693 K705 I707	D352-V354 PolarHBondContact O-N 3.28Å; V354-L361 HydrophobicContact CB-CB 4.22Å; V354-L361 HydrophobicContact CG1-CB 4.43Å; V354-G362 PolarHBondContact N-O 3.19Å; V354-T364 HydrophobicContact CG2-CG2 4.05Å; V354-I693 HydrophobicContact CG1-CD1 3.47Å; V354-I693 VanDerWaalsContact CG1-CD1 3.47Å; V354-K705 WeakPolarHBondContact O-CD 3.49Å; V354-K705 VanDerWaalsContact O-CE 3.27Å; V354-K705 WeakPolarHBondContact O-CE 3.1Å; V354-K705 PolarHBondContact O-NZ 3.06Å; V354-I707 HydrophobicContact CB-CD1 4.4Å; V354-I707 HydrophobicContact CG1-CD1 3.42Å; V354-I707 VanDerWaalsContact CG1-CD1 3.42Å; V354-I707 HydrophobicContact CG2-CD1 4.05Å
355	D	91.5	Very high	94.3	Very high	50 Å²	50	42.8 Å²	42.8	27%	0.267	24%	0.241	S	C	.	.			trans	-140.2	116.5	166.6	-174.3	-14.2	0	0	0	107.5	Y353 S357 Q358 I359 L361	Y353-D355 PolarHBondContact O-N 3.11Å; D355-S357 PolarHBondContact O-N 2.92Å; D355-S357 WeakPolarHBondContact OD1-CB 3.49Å; D355-S357 PolarHBondContact OD1-N 2.65Å; D355-S357 PolarHBondContact OD1-OG 2.73Å; D355-S357 PolarHBondContact OD2-OG 2.88Å; D355-S357 VanDerWaalsContact OD2-OG 3.14Å; D355-Q358 HydrophobicContact CB-CB 4.12Å; D355-Q358 CarbonylContact O-C 3.6Å; D355-Q358 PolarHBondContact O-N 3.46Å; D355-Q358 PolarHBondContact OD2-NE2 2.86Å; D355-I359 PolarHBondContact O-N 2.81Å; D355-L361 HydrophobicContact CB-CD1 3.93Å
356	S	91.3	Very high	94.4	Very high	91 Å²	91	43.2 Å²	43.2	64%	0.636	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-21.1	-179.6	-55.3	0	0	0	0	112.3
357	S	93.5	Very high	94.5	Very high	98 Å²	98	42.5 Å²	42.5	69%	0.685	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-17.4	172.3	72.4	0	0	0	0	113	D355	D355-S357 PolarHBondContact O-N 2.92Å; D355-S357 WeakPolarHBondContact OD1-CB 3.49Å; D355-S357 PolarHBondContact OD1-N 2.65Å; D355-S357 PolarHBondContact OD1-OG 2.73Å; D355-S357 PolarHBondContact OD2-OG 2.88Å; D355-S357 VanDerWaalsContact OD2-OG 3.14Å
358	Q	90.5	Very high	94.5	Very high	107 Å²	107	44.7 Å²	44.7	50%	0.5	25%	0.249	S	C	.	.			trans	-134.9	72.1	-178.4	-66.3	178.3	68.4	0	0	110.6	D355 G360 L361	D355-Q358 HydrophobicContact CB-CB 4.12Å; D355-Q358 CarbonylContact O-C 3.6Å; D355-Q358 PolarHBondContact O-N 3.46Å; D355-Q358 PolarHBondContact OD2-NE2 2.86Å; Q358-G360 PolarHBondContact O-N 2.84Å; Q358-L361 HydrophobicContact CB-CD1 4.03Å; Q358-L361 HydrophobicContact CB-CG 4.1Å; Q358-L361 WeakPolarHBondContact O-CB 3.32Å; Q358-L361 PolarHBondContact O-N 3.33Å
359	I	91.9	Very high	94.4	Very high	107 Å²	107	42 Å²	42	55%	0.549	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-56.3	-24.1	-176.9	61.7	166.4	0	0	0	114	Y353 D355 L361 G362	Y353-I359 HydrophobicContact CD1-CB 4.22Å; Y353-I359 HydrophobicContact CD1-CG2 4.21Å; Y353-I359 HydrophobicContact CE1-CB 4.07Å; Y353-I359 HydrophobicContact CE1-CG2 4.19Å; Y353-I359 HydrophobicContact CG-CG2 4.5Å; D355-I359 PolarHBondContact O-N 2.81Å; I359-L361 PolarHBondContact O-N 3.44Å; I359-G362 PolarHBondContact O-N 3.36Å
360	G	91.1	Very high	94.3	Very high	58 Å²	58	41.6 Å²	41.6	60%	0.598	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	-64.8	-13.8	176.4	0	0	0	0	0	114.2	Q358 G362	Q358-G360 PolarHBondContact O-N 2.84Å; G360-G362 PolarHBondContact O-N 2.86Å
361	L	91.4	Very high	94	Very high	21 Å²	21	43 Å²	43	11%	0.11	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-76.4	-2	170.3	-61.1	-177.9	0	0	0	112.9	V354 D355 Q358 I359 R595 I693 L695	V354-L361 HydrophobicContact CB-CB 4.22Å; V354-L361 HydrophobicContact CG1-CB 4.43Å; D355-L361 HydrophobicContact CB-CD1 3.93Å; Q358-L361 HydrophobicContact CB-CD1 4.03Å; Q358-L361 HydrophobicContact CB-CG 4.1Å; Q358-L361 WeakPolarHBondContact O-CB 3.32Å; Q358-L361 PolarHBondContact O-N 3.33Å; I359-L361 PolarHBondContact O-N 3.44Å; L361-R595 PolarHBondContact O-NH2 3.33Å; L361-I693 HydrophobicContact CD1-CD1 4.4Å; L361-L695 HydrophobicContact CD2-CD2 3.71Å
362	G	93.6	Very high	93.7	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	25%	0.254	C	S	.	.			trans	73.2	-156.1	176.9	0	0	0	0	0	114.1	V354 I359 G360	V354-G362 PolarHBondContact N-O 3.19Å; I359-G362 PolarHBondContact O-N 3.36Å; G360-G362 PolarHBondContact O-N 2.86Å
363	R	95.5	Very high	93.6	Very high	35 Å²	35	39.2 Å²	39.2	13%	0.132	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-115.1	154.8	-174.7	-70.5	174.7	166.3	-121.1	5.1	111.7	E351 D352 Y353 Y556 L572 Y573 R595	E351-R363 VanDerWaalsContact O-CD 3.26Å; E351-R363 WeakPolarHBondContact O-CD 3.22Å; E351-R363 WeakPolarHBondContact O-CG 3.43Å; E351-R363 PolarHBondContact O-NH1 2.83Å; D352-R363 CarbonylContact O-C 3.53Å; D352-R363 WeakPolarHBondContact O-CA 2.96Å; D352-R363 WeakPolarHBondContact O-CB 3.06Å; Y353-R363 HydrophobicContact CD1-CG 3.97Å; Y353-R363 HydrophobicContact CE1-CG 4.11Å; Y353-R363 HydrophobicContact CG-CG 4.45Å; R363-Y556 VanDerWaalsContact CZ-CD1 3.45Å; R363-L572 PolarHBondContact N-O 3.23Å; R363-Y573 HydrophobicContact CB-CD1 3.96Å; R363-Y573 HydrophobicContact CB-CE1 4.34Å; R363-Y573 HydrophobicContact CG-CD1 4.13Å; R363-Y573 HydrophobicContact CG-CE1 4.12Å; R363-R595 WeakPolarHBondContact O-CD 3.38Å; R363-R595 WeakPolarHBondContact O-CG 3.27Å; R363-R595 PolarHBondContact O-NE 3.05Å
364	T	95.9	Very high	93.4	Very high	6 Å²	6	35.7 Å²	35.7	4%	0.037	22%	0.22	C	C	.	.			trans	-68.1	162.2	167.4	64.3	0	0	0	0	109.4	I350 E351 D352 V354 Y366	I350-T364 CarbonylContact O-C 3.31Å; I350-T364 PolarHBondContact O-OG1 2.72Å; E351-T364 WeakPolarHBondContact CA-O 3.45Å; D352-T364 PolarHBondContact N-OG1 3.32Å; D352-T364 PolarHBondContact O-N 2.88Å; D352-T364 PolarHBondContact O-OG1 2.95Å; V354-T364 HydrophobicContact CG2-CG2 4.05Å; T364-Y366 HydrophobicContact CG2-CE1 4.26Å
365	F	97.2	Very high	93.5	Very high	0 Å²	0	36 Å²	36	0%	0	22%	0.22	C	C	.	.			trans	-150	100.6	167.1	-171.8	-85.1	0	0	0	108	L349 I350 E351 F367 W446 L548 G574 D575 R595 F596	L349-F365 HydrophobicContact CD1-CD1 4.01Å; L349-F365 HydrophobicContact CD1-CD2 3.99Å; L349-F365 HydrophobicContact CD1-CE1 3.94Å; L349-F365 HydrophobicContact CD1-CE2 3.94Å; L349-F365 HydrophobicContact CD1-CG 4.08Å; L349-F365 HydrophobicContact CD1-CZ 3.93Å; L349-F365 HydrophobicContact CD2-CD2 4.13Å; L349-F365 HydrophobicContact CD2-CE2 3.62Å; L349-F365 HydrophobicContact CD2-CZ 4.04Å; L349-F365 HydrophobicContact CG-CD2 4.48Å; L349-F365 HydrophobicContact CG-CE2 4.34Å; I350-F365 WeakPolarHBondContact O-CA 3.24Å; E351-F365 HydrophobicContact CG-CD2 4.39Å; F365-F367 HydrophobicContact CE1-CE2 4.23Å; F365-F367 HydrophobicContact CE1-CZ 4.43Å; F365-W446 HydrophobicContact CE1-CH2 4.42Å; F365-W446 HydrophobicContact CE1-CZ3 4.2Å; F365-W446 HydrophobicContact CZ-CH2 4.23Å; F365-W446 HydrophobicContact CZ-CZ3 4.36Å; F365-L548 HydrophobicContact CE2-CD2 3.98Å; F365-L548 HydrophobicContact CZ-CD1 3.96Å; F365-L548 HydrophobicContact CZ-CD2 4.12Å; F365-G574 WeakPolarHBondContact CB-O 3.43Å; F365-G574 WeakPolarHBondContact CG-O 3.48Å; F365-D575 HydrophobicContact CE1-CB 4.31Å; F365-D575 HydrophobicContact CZ-CB 4.4Å; F365-R595 HydrophobicContact CB-CB 3.79Å; F365-F596 HydrophobicContact CD1-CB 3.49Å; F365-F596 VanDerWaalsContact CD1-CB 3.49Å; F365-F596 AromaticContact CD1-CD2 3.74Å; F365-F596 HydrophobicContact CD1-CD2 3.74Å; F365-F596 AromaticContact CD1-CG 3.79Å; F365-F596 HydrophobicContact CD1-CG 3.79Å; F365-F596 HydrophobicContact CE1-CB 3.9Å; F365-F596 HydrophobicContact CE1-CD1 4.4Å; F365-F596 AromaticContact CE1-CD2 3.87Å; F365-F596 HydrophobicContact CE1-CD2 3.87Å; F365-F596 HydrophobicContact CE1-CE2 4.46Å; F365-F596 AromaticContact CE1-CG 3.83Å; F365-F596 HydrophobicContact CE1-CG 3.83Å; F365-F596 HydrophobicContact CG-CB 4.38Å
366	Y	96.7	Very high	93.7	Very high	22 Å²	22	33.6 Å²	33.6	9%	0.086	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	154.2	179.9	69.3	-87.3	0	0	0	112.3	I350 T364 K368 P373 F706 M709	I350-Y366 HydrophobicContact CB-CD1 4.01Å; I350-Y366 HydrophobicContact CB-CD2 4.34Å; I350-Y366 HydrophobicContact CB-CE1 3.57Å; I350-Y366 HydrophobicContact CB-CE2 3.95Å; I350-Y366 HydrophobicContact CB-CG 4.36Å; I350-Y366 HydrophobicContact CG1-CD2 4.31Å; I350-Y366 HydrophobicContact CG1-CE1 4.29Å; I350-Y366 HydrophobicContact CG1-CE2 3.76Å; I350-Y366 HydrophobicContact CG2-CD1 4.42Å; I350-Y366 HydrophobicContact CG2-CE1 3.57Å; I350-Y366 HydrophobicContact CG2-CE2 4.48Å; I350-Y366 WeakPolarHBondContact CG2-OH 3.25Å; I350-Y366 PolarHBondContact N-O 3.04Å; I350-Y366 PolarHBondContact O-N 3.43Å; T364-Y366 HydrophobicContact CG2-CE1 4.26Å; Y366-K368 HydrophobicContact CD2-CG 4.32Å; Y366-K368 HydrophobicContact CE2-CD 4.32Å; Y366-K368 HydrophobicContact CE2-CG 3.8Å; Y366-K368 WeakPolarHBondContact OH-CE 3.23Å; Y366-P373 HydrophobicContact CD2-CB 3.91Å; Y366-P373 HydrophobicContact CE2-CB 3.77Å; Y366-P373 HydrophobicContact CE2-CG 3.94Å; Y366-F706 HydrophobicContact CD1-CB 4.26Å; Y366-F706 HydrophobicContact CE1-CB 4.41Å; Y366-F706 HydrophobicContact CE2-CD2 4.37Å; Y366-M709 HydrophobicContact CD2-CE 4.25Å; Y366-M709 HydrophobicContact CG-CB 4.45Å; Y366-M709 HydrophobicContact CG-CE 4.31Å; Y366-M709 HydrophobicContact CG-CG 4.17Å
367	F	97.1	Very high	94	Very high	1 Å²	1	30.2 Å²	30.2	0%	0.004	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	139	179.5	-62.8	-82.5	0	0	0	111.2	E348 L349 F365 I374 I376 W446 I483 V484 F596	E348-F367 CarbonylContact O-C 3.58Å; E348-F367 VanDerWaalsContact O-CA 3.31Å; E348-F367 WeakPolarHBondContact O-CA 3.3Å; L349-F367 HydrophobicContact CB-CD1 4.19Å; L349-F367 HydrophobicContact CB-CE1 3.96Å; L349-F367 HydrophobicContact CD1-CD1 4.04Å; L349-F367 HydrophobicContact CD1-CD2 4.44Å; L349-F367 HydrophobicContact CD1-CE1 3.69Å; L349-F367 HydrophobicContact CD1-CE2 4.13Å; L349-F367 HydrophobicContact CD1-CG 4.41Å; L349-F367 HydrophobicContact CD1-CZ 3.75Å; L349-F367 HydrophobicContact CG-CE1 4.31Å; F365-F367 HydrophobicContact CE1-CE2 4.23Å; F365-F367 HydrophobicContact CE1-CZ 4.43Å; F367-I374 PolarHBondContact O-N 2.98Å; F367-I376 HydrophobicContact CD2-CD1 4.39Å; F367-I376 HydrophobicContact CD2-CG1 4.02Å; F367-W446 HydrophobicContact CE2-CE3 4.45Å; F367-W446 HydrophobicContact CE2-CZ3 4.33Å; F367-W446 HydrophobicContact CZ-CE3 4.41Å; F367-W446 HydrophobicContact CZ-CZ3 4.33Å; F367-I483 HydrophobicContact CB-CD1 4.24Å; F367-I483 HydrophobicContact CD1-CD1 3.91Å; F367-I483 HydrophobicContact CD2-CD1 4Å; F367-I483 HydrophobicContact CE1-CD1 4.26Å; F367-I483 HydrophobicContact CE2-CD1 4.35Å; F367-I483 HydrophobicContact CG-CD1 3.76Å; F367-I483 HydrophobicContact CZ-CD1 4.46Å; F367-V484 HydrophobicContact CE1-CB 3.73Å; F367-V484 HydrophobicContact CE1-CG1 4.17Å; F367-V484 HydrophobicContact CE1-CG2 4.1Å; F367-V484 HydrophobicContact CZ-CB 3.85Å; F367-V484 HydrophobicContact CZ-CG1 3.83Å; F367-V484 HydrophobicContact CZ-CG2 4.07Å; F367-F596 HydrophobicContact CD2-CE2 4.25Å; F367-F596 AromaticContact CE2-CE2 3.95Å; F367-F596 HydrophobicContact CE2-CE2 3.95Å; F367-F596 HydrophobicContact CE2-CZ 4.39Å
368	K	95.2	Very high	94.2	Very high	49 Å²	49	25.5 Å²	25.5	21%	0.213	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	135.7	162.3	-69.6	178.5	-179.8	165.6	0	109.4	V347 E348 I350 Y366 L372 P373	V347-K368 WeakPolarHBondContact CA-O 3.49Å; E348-K368 HydrophobicContact CB-CB 4.45Å; E348-K368 PolarHBondContact N-O 3.42Å; E348-K368 PolarHBondContact O-N 3.26Å; I350-K368 HydrophobicContact CD1-CD 4.05Å; I350-K368 HydrophobicContact CG1-CD 3.89Å; I350-K368 HydrophobicContact CG1-CG 4.02Å; Y366-K368 HydrophobicContact CD2-CG 4.32Å; Y366-K368 HydrophobicContact CE2-CD 4.32Å; Y366-K368 HydrophobicContact CE2-CG 3.8Å; Y366-K368 WeakPolarHBondContact OH-CE 3.23Å; K368-L372 CarbonylContact C-O 3.54Å; K368-L372 WeakPolarHBondContact CA-O 3.45Å; K368-P373 HydrophobicContact CG-CG 4.2Å
369	T	95.2	Very high	94.6	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	125.2	164.8	-50.6	0	0	0	0	108.1	W310 P311 E346 G371 L372	W310-T369 HydrophobicContact CE3-CG2 4.39Å; W310-T369 VanDerWaalsContact CZ3-O 3.24Å; W310-T369 WeakPolarHBondContact CZ3-O 3.49Å; P311-T369 HydrophobicContact CG-CG2 4.43Å; E346-T369 CarbonylContact O-C 3.58Å; E346-T369 WeakPolarHBondContact O-CA 3.36Å; T369-G371 PolarHBondContact O-N 3.42Å; T369-L372 PolarHBondContact N-O 3.45Å; T369-L372 PolarHBondContact O-N 2.91Å
370	N	94	Very high	94.9	Very high	16 Å²	16	15.3 Å²	15.3	9%	0.086	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	30.4	-179.1	-54	-41.6	0	0	0	113.2	L308 W309 W310 R345 E346	L308-N370 HydrophobicContact CD1-CB 3.94Å; W309-N370 PolarHBondContact O-ND2 2.96Å; W309-N370 VanDerWaalsContact O-ND2 3.08Å; W310-N370 HydrophobicContact CH2-CB 3.46Å; W310-N370 VanDerWaalsContact CH2-CB 3.46Å; W310-N370 HydrophobicContact CZ2-CB 3.7Å; W310-N370 HydrophobicContact CZ3-CB 3.93Å; R345-N370 WeakPolarHBondContact CA-OD1 3.39Å; R345-N370 WeakPolarHBondContact CB-OD1 3.47Å; E346-N370 PolarHBondContact N-OD1 3.33Å; E346-N370 PolarHBondContact O-N 3.48Å
371	G	91.3	Very high	95.3	Very high	43 Å²	43	12.6 Å²	12.6	44%	0.443	7%	0.07	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.6	-10.8	-177.5	0	0	0	0	0	115.7	T369	T369-G371 PolarHBondContact O-N 3.42Å
372	L	91	Very high	95.5	Very high	26 Å²	26	11.6 Å²	11.6	14%	0.136	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	124.1	-179.9	-175.3	66.7	0	0	0	111.2	W310 T314 E315 K368 T369 I374 I781	W310-L372 HydrophobicContact CH2-CB 4.13Å; W310-L372 HydrophobicContact CH2-CD2 4.44Å; W310-L372 HydrophobicContact CZ3-CB 3.89Å; W310-L372 HydrophobicContact CZ3-CD2 3.97Å; T314-L372 HydrophobicContact CG2-CD2 3.71Å; E315-L372 HydrophobicContact CG-CD2 4.47Å; K368-L372 CarbonylContact C-O 3.54Å; K368-L372 WeakPolarHBondContact CA-O 3.45Å; T369-L372 PolarHBondContact N-O 3.45Å; T369-L372 PolarHBondContact O-N 2.91Å; L372-I374 HydrophobicContact CB-CD1 4.39Å; L372-I374 HydrophobicContact CD2-CD1 4.05Å; L372-I374 HydrophobicContact CG-CD1 4.12Å; L372-I374 WeakPolarHBondContact O-CG1 3.32Å; L372-I374 PolarHBondContact O-N 3.16Å; L372-I781 HydrophobicContact CD2-CG2 3.7Å; L372-I781 HydrophobicContact CG-CG2 4.41Å
373	P	92.6	Very high	95.6	Very high	15 Å²	15	11.8 Å²	11.8	10%	0.097	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	124.9	172.7	-22.7	34.3	0	0	0	112.1	Y366 K368 F706 M709	Y366-P373 HydrophobicContact CD2-CB 3.91Å; Y366-P373 HydrophobicContact CE2-CB 3.77Å; Y366-P373 HydrophobicContact CE2-CG 3.94Å; K368-P373 HydrophobicContact CG-CG 4.2Å; P373-F706 HydrophobicContact CB-CD2 4.06Å; P373-F706 HydrophobicContact CB-CE2 3.89Å; P373-F706 HydrophobicContact CB-CZ 4.44Å; P373-F706 HydrophobicContact CG-CD2 4.14Å; P373-F706 HydrophobicContact CG-CE2 3.67Å; P373-F706 HydrophobicContact CG-CZ 4.41Å; P373-M709 HydrophobicContact CB-CE 4.13Å
374	I	92.7	Very high	95.4	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	122.9	-178.8	-51.8	-57.1	0	0	0	109.3	T314 F367 L372 I376 M444 M709 I781	T314-I374 HydrophobicContact CG2-CD1 3.87Å; F367-I374 PolarHBondContact O-N 2.98Å; L372-I374 HydrophobicContact CB-CD1 4.39Å; L372-I374 HydrophobicContact CD2-CD1 4.05Å; L372-I374 HydrophobicContact CG-CD1 4.12Å; L372-I374 WeakPolarHBondContact O-CG1 3.32Å; L372-I374 PolarHBondContact O-N 3.16Å; I374-I376 HydrophobicContact CG2-CD1 4.3Å; I374-I376 PolarHBondContact O-N 3.38Å; I374-M444 HydrophobicContact CG2-CE 3.78Å; I374-M444 HydrophobicContact CG2-SD 4.48Å; I374-M709 WeakPolarHBondContact O-CE 3.42Å; I374-I781 HydrophobicContact CD1-CD1 4.38Å; I374-I781 HydrophobicContact CG2-CD1 4.28Å
375	F	94.2	Very high	95.1	Very high	11 Å²	11	10.5 Å²	10.5	5%	0.048	6%	0.062	C	C	.	.			trans	-76.1	119.5	167.5	-170.1	-75.8	0	0	0	108.6	K377 N419 M687 K690 T708 M709 T711	F375-K377 HydrophobicContact CD1-CG 3.99Å; F375-K377 HydrophobicContact CE1-CG 4.36Å; F375-N419 PolarHBondContact O-ND2 3.09Å; F375-M687 HydrophobicContact CD1-CG 4.41Å; F375-M687 HydrophobicContact CE1-CG 3.58Å; F375-M687 HydrophobicContact CE2-CG 4.4Å; F375-M687 HydrophobicContact CZ-CB 4.25Å; F375-M687 HydrophobicContact CZ-CG 3.57Å; F375-K690 HydrophobicContact CD2-CB 4.33Å; F375-K690 HydrophobicContact CD2-CD 3.94Å; F375-K690 HydrophobicContact CD2-CG 3.97Å; F375-K690 HydrophobicContact CE2-CB 4.3Å; F375-K690 HydrophobicContact CE2-CG 4.4Å; F375-T708 WeakPolarHBondContact CE2-O 3.44Å; F375-M709 CarbonylContact C-O 3.52Å; F375-M709 WeakPolarHBondContact CA-O 3.07Å; F375-M709 HydrophobicContact CB-CE 4.35Å; F375-M709 HydrophobicContact CB-SD 4.44Å; F375-M709 HydrophobicContact CD2-SD 3.92Å; F375-T711 HydrophobicContact CE1-CG2 4.17Å; F375-T711 HydrophobicContact CZ-CG2 4.03Å
376	I	96.6	Very high	94.6	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	127	179.9	-61.6	-54.3	0	0	0	110.4	F367 I374 L420 M444 I483 F596 M709 G710 T711 I712	F367-I376 HydrophobicContact CD2-CD1 4.39Å; F367-I376 HydrophobicContact CD2-CG1 4.02Å; I374-I376 HydrophobicContact CG2-CD1 4.3Å; I374-I376 PolarHBondContact O-N 3.38Å; I376-L420 HydrophobicContact CD1-CB 4.44Å; I376-L420 HydrophobicContact CD1-CD1 3.83Å; I376-L420 HydrophobicContact CG1-CD1 4.27Å; I376-L420 HydrophobicContact CG2-CB 3.7Å; I376-L420 HydrophobicContact CG2-CD1 3.89Å; I376-L420 HydrophobicContact CG2-CD2 4.16Å; I376-L420 HydrophobicContact CG2-CG 4.13Å; I376-M444 HydrophobicContact CD1-CE 3.29Å; I376-M444 HydrophobicContact CD1-SD 4.07Å; I376-I483 HydrophobicContact CD1-CD1 4.31Å; I376-F596 HydrophobicContact CB-CE2 3.84Å; I376-F596 HydrophobicContact CB-CZ 3.98Å; I376-F596 HydrophobicContact CG1-CE2 3.73Å; I376-F596 HydrophobicContact CG1-CZ 4.1Å; I376-F596 HydrophobicContact CG2-CE2 4.29Å; I376-F596 HydrophobicContact CG2-CZ 3.9Å; I376-M709 PolarHBondContact N-O 3.01Å; I376-G710 WeakPolarHBondContact O-CA 3.5Å; I376-T711 PolarHBondContact O-N 2.96Å; I376-I712 HydrophobicContact CG2-CG1 4.1Å
377	K	96.3	Very high	94	Very high	19 Å²	19	10.1 Å²	10.1	8%	0.083	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	82.5	173.2	-62.7	174	-61	-172.4	0	106.2	F375 G417 I418 N419 M687 Y746	F375-K377 HydrophobicContact CD1-CG 3.99Å; F375-K377 HydrophobicContact CE1-CG 4.36Å; K377-G417 VanDerWaalsContact CE-O 3.27Å; K377-G417 WeakPolarHBondContact CE-O 3.19Å; K377-I418 CarbonylContact O-C 3.55Å; K377-I418 VanDerWaalsContact O-CA 3.26Å; K377-I418 WeakPolarHBondContact O-CA 3.45Å; K377-I418 WeakPolarHBondContact O-CG2 3.26Å; K377-N419 PolarHBondContact N-OD1 3.42Å; K377-N419 PolarHBondContact O-N 2.93Å; K377-N419 PolarHBondContact O-OD1 2.98Å; K377-M687 HydrophobicContact CD-CE 4.38Å; K377-Y746 HydrophobicContact CB-CD1 3.88Å; K377-Y746 HydrophobicContact CB-CD2 3.74Å; K377-Y746 HydrophobicContact CB-CE1 4.05Å; K377-Y746 HydrophobicContact CB-CE2 3.94Å; K377-Y746 HydrophobicContact CB-CG 3.71Å; K377-Y746 HydrophobicContact CD-CD1 4.2Å; K377-Y746 HydrophobicContact CD-CG 4.19Å; K377-Y746 VanDerWaalsContact CD-O 3.3Å; K377-Y746 WeakPolarHBondContact CD-O 3.46Å; K377-Y746 WeakPolarHBondContact CE-O 3.28Å; K377-Y746 HydrophobicContact CG-CD1 3.97Å; K377-Y746 HydrophobicContact CG-CE1 4.29Å; K377-Y746 HydrophobicContact CG-CG 4.17Å; K377-Y746 PolarHBondContact NZ-O 3.47Å
378	G	97.9	Very high	93.1	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	169.8	-167.5	0	0	0	0	0	114.4	L420 T711 I712 Y713 Y746	G378-L420 WeakPolarHBondContact CA-O 3.35Å; G378-T711 WeakPolarHBondContact CA-O 3.37Å; G378-T711 PolarHBondContact N-O 3.35Å; G378-I712 WeakPolarHBondContact O-CA 3.47Å; G378-Y713 WeakPolarHBondContact O-CD1 3.23Å; G378-Y713 WeakPolarHBondContact O-CE1 3.38Å; G378-Y713 PolarHBondContact O-N 2.91Å; G378-Y746 PolarHBondContact O-OH 3.11Å
379	A	98.7	Very high	92.1	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	145.1	169	0	0	0	0	0	110	I418 L420 I421 R422 I712 Y713 F716	A379-I418 HydrophobicContact CB-CD1 3.85Å; A379-L420 PolarHBondContact N-O 3.28Å; A379-I421 HydrophobicContact CB-CD1 4.4Å; A379-R422 PolarHBondContact O-N 2.98Å; A379-I712 VanDerWaalsContact C-CG2 3.44Å; A379-Y713 HydrophobicContact CB-CD1 3.95Å; A379-Y713 HydrophobicContact CB-CE1 3.33Å; A379-Y713 HydrophobicContact CB-CE2 4.1Å; A379-Y713 VanDerWaalsContact CB-CZ 3.42Å; A379-F716 HydrophobicContact CB-CB 3.72Å; A379-F716 HydrophobicContact CB-CD2 3.74Å; A379-F716 HydrophobicContact CB-CG 4.09Å
380	N	98.8	Very high	91	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	128.4	175	-70.9	-77.6	0	0	0	110.9	R422 S598 I712 Y713 W714 F716	N380-R422 WeakPolarHBondContact OD1-CB 3.39Å; N380-R422 WeakPolarHBondContact OD1-CD 3.46Å; N380-R422 WeakPolarHBondContact OD1-CG 3.13Å; N380-R422 PolarHBondContact OD1-NH1 3.47Å; N380-S598 PolarHBondContact ND2-O 3.48Å; N380-I712 VanDerWaalsContact ND2-CG2 3.31Å; N380-I712 WeakPolarHBondContact ND2-CG2 3.15Å; N380-Y713 PolarHBondContact N-O 2.9Å; N380-Y713 PolarHBondContact ND2-O 3.09Å; N380-W714 HydrophobicContact CB-CD2 4.25Å; N380-W714 HydrophobicContact CB-CE3 3.21Å; N380-W714 HydrophobicContact CB-CZ3 3.49Å; N380-W714 VanDerWaalsContact CB-CZ3 3.49Å; N380-F716 WeakPolarHBondContact O-CB 3.49Å; N380-F716 PolarHBondContact O-N 3.4Å
381	W	98.6	Very high	89.6	Confident	1 Å²	1	10.7 Å²	10.7	0%	0.004	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	127.6	-179.9	171.9	-81	0	0	0	110.7	A384 E406 L409 L410 I421 R422 I423 W424 E430 F434 F716	W381-A384 HydrophobicContact CH2-CB 4.21Å; W381-A384 HydrophobicContact CZ2-CB 3.84Å; W381-E406 HydrophobicContact CH2-CB 4.26Å; W381-E406 HydrophobicContact CH2-CG 4.36Å; W381-E406 HydrophobicContact CZ2-CB 4.43Å; W381-E406 HydrophobicContact CZ2-CG 4.1Å; W381-L409 HydrophobicContact CH2-CB 3.75Å; W381-L409 HydrophobicContact CH2-CD1 3.79Å; W381-L409 HydrophobicContact CH2-CG 4.45Å; W381-L409 HydrophobicContact CZ3-CB 3.63Å; W381-L409 HydrophobicContact CZ3-CD1 4.16Å; W381-L410 HydrophobicContact CZ3-CD2 4.24Å; W381-L410 HydrophobicContact CZ3-CG 4.41Å; W381-I421 HydrophobicContact CB-CG2 3.37Å; W381-I421 HydrophobicContact CD2-CG2 4.44Å; W381-I421 HydrophobicContact CE3-CG2 4.38Å; W381-I421 HydrophobicContact CG-CG2 4.06Å; W381-R422 WeakPolarHBondContact CB-O 3.33Å; W381-R422 PolarHBondContact N-O 3.3Å; W381-I423 HydrophobicContact CB-CD1 4.23Å; W381-I423 HydrophobicContact CG-CD1 4.08Å; W381-W424 VanDerWaalsContact O-CB 3.31Å; W381-W424 WeakPolarHBondContact O-CB 3.19Å; W381-W424 PolarHBondContact O-N 3.44Å; W381-E430 PolarHBondContact NE1-OE1 3.31Å; W381-F434 AromaticContact CD2-CE2 3.96Å; W381-F434 HydrophobicContact CD2-CE2 3.96Å; W381-F434 HydrophobicContact CD2-CZ 4.21Å; W381-F434 AromaticContact CE2-CE2 3.6Å; W381-F434 HydrophobicContact CE3-CE2 4.15Å; W381-F434 HydrophobicContact CH2-CD2 4.37Å; W381-F434 AromaticContact CH2-CE2 3.73Å; W381-F434 HydrophobicContact CH2-CE2 3.73Å; W381-F434 HydrophobicContact CZ2-CD2 4.07Å; W381-F434 AromaticContact CZ2-CE2 3.5Å; W381-F434 HydrophobicContact CZ2-CE2 3.5Å; W381-F434 HydrophobicContact CZ2-CZ 4.48Å; W381-F434 HydrophobicContact CZ3-CE2 4.02Å; W381-F716 AromaticContact CE3-CD1 3.72Å; W381-F716 HydrophobicContact CE3-CD1 3.72Å; W381-F716 AromaticContact CE3-CE1 4Å; W381-F716 HydrophobicContact CE3-CE1 4Å; W381-F716 HydrophobicContact CZ3-CD1 4.04Å; W381-F716 AromaticContact CZ3-CE1 3.88Å; W381-F716 HydrophobicContact CZ3-CE1 3.88Å
382	I	97.5	Very high	88.6	Confident	0 Å²	0	11 Å²	11	0%	0	5%	0.053	C	C	.	.	P	Polyproline II helix	trans	-102.1	155.2	165.4	64.3	163.3	0	0	0	109.1	W208 A384 W424 W714 N717 I719	W208-I382 HydrophobicContact CD2-CD1 4.08Å; W208-I382 HydrophobicContact CE3-CD1 3.64Å; W208-I382 HydrophobicContact CH2-CB 4.26Å; W208-I382 HydrophobicContact CH2-CD1 3.67Å; W208-I382 HydrophobicContact CH2-CG2 4.46Å; W208-I382 HydrophobicContact CZ2-CB 4.17Å; W208-I382 HydrophobicContact CZ2-CD1 4.06Å; W208-I382 HydrophobicContact CZ2-CG2 3.9Å; W208-I382 HydrophobicContact CZ3-CD1 3.46Å; W208-I382 VanDerWaalsContact CZ3-CD1 3.46Å; I382-A384 PolarHBondContact O-N 2.96Å; I382-W424 HydrophobicContact CG2-CE3 4.05Å; I382-W714 HydrophobicContact CG2-CH2 3.56Å; I382-W714 HydrophobicContact CG2-CZ2 4.02Å; I382-W714 HydrophobicContact CG2-CZ3 4.4Å; I382-N717 WeakPolarHBondContact CD1-O 3.05Å; I382-N717 WeakPolarHBondContact CG1-O 3.49Å; I382-N717 PolarHBondContact N-OD1 2.6Å; I382-N717 PolarHBondContact O-ND2 2.9Å; I382-N717 PolarHBondContact O-OD1 3.33Å; I382-I719 HydrophobicContact CD1-CD1 4.44Å; I382-I719 HydrophobicContact CD1-CG1 4.01Å; I382-I719 HydrophobicContact CD1-CG2 4.45Å
383	P	94.3	Very high	88.1	Confident	3 Å²	3	11.1 Å²	11.1	2%	0.019	5%	0.053	C	C	.	.	P	Polyproline II helix	trans	-49.8	131.3	177.4	-26.5	34.4	0	0	0	110.6	R385 G427 R428 E430 I719	P383-R385 PolarHBondContact O-N 3.17Å; P383-R385 VanDerWaalsContact O-N 3.1Å; P383-G427 VanDerWaalsContact CG-CA 3.42Å; P383-R428 HydrophobicContact CB-CG 4.38Å; P383-R428 HydrophobicContact CG-CG 4.19Å; P383-E430 WeakPolarHBondContact CA-OE1 3.21Å; P383-I719 WeakPolarHBondContact O-CG2 3.18Å
384	A	92.1	Very high	87.9	Confident	6 Å²	6	11 Å²	11	5%	0.05	5%	0.052	C	C	.	.	S	Bend	trans	-71.3	-5.6	-176	0	0	0	0	0	113.5	W381 I382 L405 E406 L409 I719	W381-A384 HydrophobicContact CH2-CB 4.21Å; W381-A384 HydrophobicContact CZ2-CB 3.84Å; I382-A384 PolarHBondContact O-N 2.96Å; A384-L405 HydrophobicContact CB-CD2 3.9Å; A384-L405 HydrophobicContact CB-CG 4.1Å; A384-L405 WeakPolarHBondContact O-CD2 3.23Å; A384-E406 HydrophobicContact CB-CG 4.04Å; A384-L409 HydrophobicContact CB-CD1 3.71Å; A384-I719 VanDerWaalsContact O-CG2 3.23Å; A384-I719 WeakPolarHBondContact O-CG2 3.5Å
385	R	88.3	Confident	87.7	Confident	9 Å²	9	11.6 Å²	11.6	3%	0.034	6%	0.055	C	C	.	.			trans	-148.1	136.7	-177.7	-50.6	178	-161.2	-175.7	-2.3	111.5	P383 R402 L405 E406 R428	P383-R385 PolarHBondContact O-N 3.17Å; P383-R385 VanDerWaalsContact O-N 3.1Å; R385-R402 PolarHBondContact NH1-O 3.35Å; R385-R402 PolarHBondContact NH2-O 2.94Å; R385-L405 HydrophobicContact CG-CD2 3.8Å; R385-E406 IonicContact CZ-OE1 3.84Å; R385-E406 IonicContact CZ-OE2 3.4Å; R385-E406 IonicContact NE-OE1 3.94Å; R385-E406 PolarHBondContact NE-OE1 2.9Å; R385-E406 IonicContact NE-OE2 3.23Å; R385-E406 IonicContact NH2-OE1 3.54Å; R385-E406 PolarHBondContact NH2-OE1 3.35Å; R385-E406 IonicContact NH2-OE2 3.62Å; R385-E406 PolarHBondContact NH2-OE2 3.31Å; R385-R428 PolarHBondContact O-NH1 3.08Å; R385-R428 PolarHBondContact O-NH2 3.4Å
386	Y	86.9	Confident	87.2	Confident	9 Å²	9	15.5 Å²	15.5	4%	0.035	7%	0.073	C	C	.	.	S	Bend	trans	-63.8	-46	165.2	-83.4	-77.3	0	0	0	112	L74 I203 G209 L210 L212 P388 R428 I719 W720	L74-Y386 HydrophobicContact CD2-CD2 4.23Å; I203-Y386 HydrophobicContact CG2-CD1 4.1Å; G209-Y386 WeakPolarHBondContact CA-OH 3.34Å; L210-Y386 HydrophobicContact CD2-CD2 3.77Å; L210-Y386 HydrophobicContact CD2-CE1 4.45Å; L210-Y386 HydrophobicContact CD2-CE2 3.14Å; L210-Y386 HydrophobicContact CG-CD2 4.43Å; L210-Y386 HydrophobicContact CG-CE1 4.32Å; L210-Y386 HydrophobicContact CG-CE2 3.87Å; L210-Y386 PolarHBondContact N-OH 3.22Å; L210-Y386 VanDerWaalsContact O-CE1 3.23Å; L210-Y386 WeakPolarHBondContact O-CE1 3.34Å; L210-Y386 PolarHBondContact O-OH 3.02Å; L212-Y386 HydrophobicContact CB-CD1 4.35Å; L212-Y386 HydrophobicContact CD1-CD1 4.25Å; L212-Y386 HydrophobicContact CD1-CD2 4.49Å; L212-Y386 HydrophobicContact CD1-CG 3.98Å; Y386-P388 WeakPolarHBondContact O-CD 3.43Å; Y386-R428 PolarHBondContact O-NH2 3.18Å; Y386-I719 HydrophobicContact CD1-CD1 4.22Å; Y386-I719 HydrophobicContact CD2-CB 4.22Å; Y386-I719 HydrophobicContact CD2-CD1 3.47Å; Y386-I719 VanDerWaalsContact CD2-CD1 3.47Å; Y386-I719 HydrophobicContact CD2-CG1 3.86Å; Y386-I719 HydrophobicContact CE1-CD1 4.01Å; Y386-I719 HydrophobicContact CE2-CB 4.1Å; Y386-I719 HydrophobicContact CE2-CD1 3.21Å; Y386-I719 HydrophobicContact CE2-CG1 3.34Å; Y386-I719 HydrophobicContact CG-CD1 3.96Å; Y386-I719 VanDerWaalsContact CZ-CD1 3.49Å; Y386-W720 HydrophobicContact CE2-CB 4.34Å
387	M	84.2	Confident	86.2	Confident	4 Å²	4	18 Å²	18	2%	0.02	9%	0.086	C	C	.	.			trans	-100.8	88.5	-178.1	-59.3	168	-156.7	0	0	109.5	Y60 S61 P73 L212 G389 R390	Y60-M387 HydrophobicContact CG-CE 4.43Å; S61-M387 VanDerWaalsContact CB-SD 3.59Å; P73-M387 HydrophobicContact CG-CE 3.36Å; L212-M387 HydrophobicContact CD1-CE 4.02Å; M387-G389 PolarHBondContact O-N 3.29Å; M387-R390 PolarHBondContact O-N 2.81Å
388	P	78.9	Confident	85.1	Confident	17 Å²	17	21 Å²	21	11%	0.11	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-30	-178.3	21.8	-32.4	0	0	0	113	I214 W218 Y386 R390	I214-P388 HydrophobicContact CD1-CG 4.39Å; W218-P388 HydrophobicContact CB-CB 3.89Å; W218-P388 HydrophobicContact CB-CG 3.6Å; W218-P388 HydrophobicContact CD2-CB 4.48Å; W218-P388 HydrophobicContact CD2-CG 3.72Å; W218-P388 HydrophobicContact CG-CB 4Å; W218-P388 HydrophobicContact CG-CG 3.21Å; Y386-P388 WeakPolarHBondContact O-CD 3.43Å; P388-R390 VanDerWaalsContact C-N 3.31Å; P388-R390 PolarHBondContact O-N 2.89Å
389	G	74.6	Confident	84.2	Confident	1 Å²	1	23.8 Å²	23.8	1%	0.01	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-40.5	178.4	0	0	0	0	0	113.5	Y55 G56 L217 W218 M387	Y55-G389 CarbonylContact C-O 3.4Å; Y55-G389 WeakPolarHBondContact CB-O 3.45Å; G56-G389 CarbonylContact C-O 3.21Å; G56-G389 VanDerWaalsContact CA-CA 3.45Å; G56-G389 VanDerWaalsContact CA-O 3.32Å; G56-G389 WeakPolarHBondContact CA-O 3.35Å; G56-G389 PolarHBondContact N-O 3.31Å; G56-G389 CarbonylContact O-C 3.46Å; G56-G389 VanDerWaalsContact O-C 3.31Å; G56-G389 VanDerWaalsContact O-O 3.06Å; L217-G389 WeakPolarHBondContact O-CA 3.3Å; W218-G389 WeakPolarHBondContact O-CA 3.33Å; M387-G389 PolarHBondContact O-N 3.29Å
390	R	72.6	Confident	83.2	Confident	21 Å²	21	31 Å²	31	8%	0.079	16%	0.162	C	C	.	.	S	Bend	trans	-115.4	149.4	-176.3	-78.8	-141.7	168	107.9	-7.3	112.4	G56 S61 M387 P388 Y392	G56-R390 WeakPolarHBondContact O-CG 3.2Å; S61-R390 PolarHBondContact O-NH1 3.21Å; S61-R390 VanDerWaalsContact O-NH1 3.09Å; S61-R390 WeakPolarHBondContact OG-CG 3.36Å; S61-R390 PolarHBondContact OG-NH1 2.93Å; S61-R390 VanDerWaalsContact OG-NH1 3.1Å; M387-R390 PolarHBondContact O-N 2.81Å; P388-R390 VanDerWaalsContact C-N 3.31Å; P388-R390 PolarHBondContact O-N 2.89Å; R390-Y392 PolarHBondContact O-N 3.17Å
391	Q	64.7	Low	82.5	Confident	39 Å²	39	33.7 Å²	33.7	18%	0.182	18%	0.176	C	C	.	.			trans	-71.9	25.9	169.3	-63.5	171.2	-21.5	0	0	112.1	Y55 N393 N397 D401	Y55-Q391 VanDerWaalsContact CZ-NE2 3.27Å; Y55-Q391 PolarHBondContact OH-NE2 3.16Å; Q391-N393 PolarHBondContact O-N 3.42Å; Q391-N393 PolarHBondContact O-ND2 3.46Å; Q391-N397 PolarHBondContact NE2-ND2 3.24Å; Q391-N397 PolarHBondContact OE1-ND2 3.49Å; Q391-D401 PolarHBondContact NE2-O 2.82Å
392	Y	69.4	Low	81.8	Confident	51 Å²	51	36.9 Å²	36.9	20%	0.2	19%	0.188	C	C	.	.			trans	-82.4	110.3	-176.3	-159.1	-84.2	0	0	0	109.6	S64 N69 N72 L74 R390	S64-Y392 PolarHBondContact OG-OH 2.92Å; N69-Y392 WeakPolarHBondContact OD1-CE2 3.48Å; N69-Y392 PolarHBondContact OD1-OH 3.47Å; N72-Y392 HydrophobicContact CB-CE1 4.25Å; N72-Y392 VanDerWaalsContact CB-OH 3.31Å; N72-Y392 WeakPolarHBondContact CB-OH 3.42Å; N72-Y392 WeakPolarHBondContact ND2-CE1 3.17Å; N72-Y392 PolarHBondContact ND2-OH 3.17Å; N72-Y392 VanDerWaalsContact OD1-CE1 3.29Å; N72-Y392 WeakPolarHBondContact OD1-CE1 3.39Å; L74-Y392 HydrophobicContact CD1-CD1 4.4Å; L74-Y392 HydrophobicContact CD1-CE1 4.45Å; R390-Y392 PolarHBondContact O-N 3.17Å
393	N	80.7	Confident	81.4	Confident	28 Å²	28	37.4 Å²	37.4	15%	0.15	19%	0.191	C	C	.	.	S	Bend	trans	-156.8	178.6	179.9	57.4	70.5	0	0	0	108.6	Q391 M395 L405	Q391-N393 PolarHBondContact O-N 3.42Å; Q391-N393 PolarHBondContact O-ND2 3.46Å; N393-M395 VanDerWaalsContact C-N 3.26Å; N393-M395 PolarHBondContact O-N 2.88Å; N393-M395 VanDerWaalsContact OD1-CA 3.23Å; N393-M395 WeakPolarHBondContact OD1-CA 3.41Å; N393-M395 WeakPolarHBondContact OD1-CB 3.36Å; N393-M395 PolarHBondContact OD1-N 3.1Å; N393-M395 PolarHBondContact OD1-O 3.14Å; N393-L405 HydrophobicContact CB-CD2 4.47Å
394	L	87.4	Confident	81.2	Confident	12 Å²	12	38 Å²	38	6%	0.063	19%	0.193	C	C	.	.	S	Bend	trans	-83.2	-0.7	179.8	-59.6	179.4	0	0	0	113.2	L74 R613 S721 V731	L74-L394 HydrophobicContact CB-CD2 4.03Å; L74-L394 HydrophobicContact CB-CG 4.41Å; L74-L394 HydrophobicContact CD1-CD2 4.09Å; L74-L394 HydrophobicContact CD1-CG 4.03Å; L394-R613 HydrophobicContact CB-CB 4.46Å; L394-R613 HydrophobicContact CD2-CB 4.42Å; L394-R613 WeakPolarHBondContact CD2-O 3.3Å; L394-R613 WeakPolarHBondContact O-CD 3.39Å; L394-R613 PolarHBondContact O-NH1 3.28Å; L394-S721 WeakPolarHBondContact CD1-OG 3.48Å; L394-V731 HydrophobicContact CB-CG1 3.61Å; L394-V731 WeakPolarHBondContact O-CG1 3.37Å
395	M	88.7	Confident	81.1	Confident	13 Å²	13	37.9 Å²	37.9	6%	0.064	19%	0.191	C	C	.	.	S	Bend	trans	-94.8	146.3	174.2	-57.9	176.3	53.8	0	0	110.9	N393 N397 W404 L405 V731 G732	N393-M395 VanDerWaalsContact C-N 3.26Å; N393-M395 PolarHBondContact O-N 2.88Å; N393-M395 VanDerWaalsContact OD1-CA 3.23Å; N393-M395 WeakPolarHBondContact OD1-CA 3.41Å; N393-M395 WeakPolarHBondContact OD1-CB 3.36Å; N393-M395 PolarHBondContact OD1-N 3.1Å; N393-M395 PolarHBondContact OD1-O 3.14Å; M395-N397 PolarHBondContact O-N 3.31Å; M395-W404 HydrophobicContact CB-CH2 3.6Å; M395-W404 HydrophobicContact CB-CZ2 4.4Å; M395-W404 HydrophobicContact CB-CZ3 4.48Å; M395-W404 HydrophobicContact CE-CH2 4.16Å; M395-W404 HydrophobicContact CE-CZ3 3.98Å; M395-L405 HydrophobicContact CE-CD1 3.54Å; M395-L405 HydrophobicContact CG-CD1 4.4Å; M395-L405 HydrophobicContact SD-CD1 3.15Å; M395-L405 WeakPolarHBondContact SD-CD1 3.15Å; M395-V731 HydrophobicContact CG-CB 4.43Å; M395-V731 WeakPolarHBondContact CG-O 3.12Å; M395-V731 VanDerWaalsContact SD-C 3.52Å; M395-G732 PolarHBondContact SD-N 2.96Å; M395-G732 VanDerWaalsContact SD-N 3.38Å
396	H	83.8	Confident	81.4	Confident	92 Å²	92	38 Å²	38	43%	0.426	19%	0.192	S	C	.	.	P	Polyproline II helix	trans	-82.8	118.5	175.8	-68.5	-41.5	0	0	0	110	V398 W404 R613 E915	H396-V398 PolarHBondContact O-N 3.06Å; H396-W404 WeakPolarHBondContact O-CH2 3.42Å; H396-R613 PolarHBondContact CD2-NH2 3.45Å; H396-R613 PolarHBondContact NE2-NH2 2.99Å; H396-R613 VanDerWaalsContact NE2-NH2 3.14Å; H396-E915 WeakPolarHBondContact CB-OE1 3.49Å; H396-E915 IonicContact CD2-OE1 2.93Å; H396-E915 IonicContact CG-OE1 3.06Å; H396-E915 PolarHBondContact N-OE1 3.18Å
397	N	76.8	Confident	81.7	Confident	53 Å²	53	39.8 Å²	39.8	28%	0.283	20%	0.2	S	C	.	.	P	Polyproline II helix	trans	-69.3	128	169	-175.2	13.4	0	0	0	110.3	Q391 M395 T399 W404	Q391-N397 PolarHBondContact NE2-ND2 3.24Å; Q391-N397 PolarHBondContact OE1-ND2 3.49Å; M395-N397 PolarHBondContact O-N 3.31Å; N397-T399 PolarHBondContact ND2-O 2.75Å; N397-T399 PolarHBondContact OD1-N 2.84Å; N397-T399 PolarHBondContact OD1-O 2.8Å; N397-T399 PolarHBondContact OD1-OG1 2.8Å; N397-W404 VanDerWaalsContact CA-CZ2 3.49Å; N397-W404 HydrophobicContact CB-CZ2 3.68Å; N397-W404 VanDerWaalsContact OD1-CD1 3.28Å; N397-W404 PolarHBondContact OD1-NE1 3.03Å
398	V	71.4	Confident	82.2	Confident	81 Å²	81	40.3 Å²	40.3	49%	0.491	20%	0.202	S	C	.	.			trans	-115.9	11.4	177.5	-62.3	0	0	0	0	112.6	H396	H396-V398 PolarHBondContact O-N 3.06Å
399	T	79.3	Confident	83	Confident	59 Å²	59	39.8 Å²	39.8	36%	0.362	20%	0.198	S	C	.	.	S	Bend	trans	-144	163.6	-173.5	75.4	0	0	0	0	112.7	N397 D401 W404	N397-T399 PolarHBondContact ND2-O 2.75Å; N397-T399 PolarHBondContact OD1-N 2.84Å; N397-T399 PolarHBondContact OD1-O 2.8Å; N397-T399 PolarHBondContact OD1-OG1 2.8Å; T399-D401 VanDerWaalsContact C-N 3.32Å; T399-D401 PolarHBondContact OG1-N 2.83Å; T399-W404 VanDerWaalsContact OG1-CB 3.28Å; T399-W404 WeakPolarHBondContact OG1-CB 3.19Å
400	N	78.5	Confident	84.1	Confident	153 Å²	153	39.8 Å²	39.8	82%	0.818	20%	0.198	S	C	*	.	S	Bend	trans	-89.1	2.7	171	-67.3	-18.7	0	0	0	113.1	R402	N400-R402 PolarHBondContact O-N 2.87Å
401	D	84.5	Confident	85.2	Confident	56 Å²	56	41.5 Å²	41.5	30%	0.299	20%	0.204	S	C	.	.			trans	-71.3	125.6	179.3	-178.7	-12.9	0	0	0	109.7	Q391 T399 I403 W404 K407	Q391-D401 PolarHBondContact NE2-O 2.82Å; T399-D401 VanDerWaalsContact C-N 3.32Å; T399-D401 PolarHBondContact OG1-N 2.83Å; D401-I403 VanDerWaalsContact C-N 3.29Å; D401-I403 PolarHBondContact O-N 2.86Å; D401-I403 PolarHBondContact OD1-N 2.78Å; D401-W404 HydrophobicContact CB-CB 4.08Å; D401-W404 PolarHBondContact O-N 3.04Å; D401-K407 IonicContact OD1-NZ 3.97Å; D401-K407 WeakPolarHBondContact OD2-CD 3.14Å; D401-K407 WeakPolarHBondContact OD2-CE 3.23Å; D401-K407 IonicContact OD2-NZ 3.92Å; D401-K407 PolarHBondContact OD2-NZ 3.26Å
402	R	83.9	Confident	86.8	Confident	68 Å²	68	39.7 Å²	39.7	26%	0.257	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-34.5	-177	-177.7	172.5	169.3	-117.4	-6.6	112.5	Y55 W218 R385 N400 D431	Y55-R402 HydrophobicContact CD1-CB 4.22Å; Y55-R402 HydrophobicContact CD1-CG 3.89Å; Y55-R402 HydrophobicContact CE1-CB 4.09Å; Y55-R402 HydrophobicContact CE1-CG 4.25Å; W218-R402 PolarHBondContact O-NH2 3.11Å; R385-R402 PolarHBondContact NH1-O 3.35Å; R385-R402 PolarHBondContact NH2-O 2.94Å; N400-R402 PolarHBondContact O-N 2.87Å; R402-D431 IonicContact CZ-OD2 3.99Å; R402-D431 IonicContact NH1-OD2 2.73Å; R402-D431 PolarHBondContact NH1-OD2 3.23Å
403	I	88.3	Confident	88.1	Confident	11 Å²	11	37.3 Å²	37.3	6%	0.056	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.7	25.7	-176	69.9	140.9	0	0	0	113.2	D401 L405 E406 K407 D431 E433	D401-I403 VanDerWaalsContact C-N 3.29Å; D401-I403 PolarHBondContact O-N 2.86Å; D401-I403 PolarHBondContact OD1-N 2.78Å; I403-L405 PolarHBondContact O-N 2.94Å; I403-E406 WeakPolarHBondContact CA-OE2 3.08Å; I403-E406 HydrophobicContact CB-CB 4.45Å; I403-E406 PolarHBondContact O-N 3.38Å; I403-E406 VanDerWaalsContact O-OE2 3.14Å; I403-K407 HydrophobicContact CD1-CD 4.26Å; I403-K407 HydrophobicContact CD1-CG 3.85Å; I403-K407 HydrophobicContact CG1-CD 4.31Å; I403-K407 HydrophobicContact CG1-CG 4.21Å; I403-K407 WeakPolarHBondContact O-CG 3.07Å; I403-K407 PolarHBondContact O-N 2.78Å; I403-D431 HydrophobicContact CG2-CB 4.04Å; I403-E433 VanDerWaalsContact CD1-C 3.42Å; I403-E433 HydrophobicContact CD1-CB 3.29Å; I403-E433 HydrophobicContact CG1-CB 3.83Å
404	W	89.4	Confident	88.8	Confident	15 Å²	15	36.9 Å²	36.9	6%	0.057	19%	0.186	C	C	.	.	H	α-helix	trans	-54.2	-36.4	-177.6	72.5	-93.7	0	0	0	113.5	M395 H396 N397 T399 D401 R408	M395-W404 HydrophobicContact CB-CH2 3.6Å; M395-W404 HydrophobicContact CB-CZ2 4.4Å; M395-W404 HydrophobicContact CB-CZ3 4.48Å; M395-W404 HydrophobicContact CE-CH2 4.16Å; M395-W404 HydrophobicContact CE-CZ3 3.98Å; H396-W404 WeakPolarHBondContact O-CH2 3.42Å; N397-W404 VanDerWaalsContact CA-CZ2 3.49Å; N397-W404 HydrophobicContact CB-CZ2 3.68Å; N397-W404 VanDerWaalsContact OD1-CD1 3.28Å; N397-W404 PolarHBondContact OD1-NE1 3.03Å; T399-W404 VanDerWaalsContact OG1-CB 3.28Å; T399-W404 WeakPolarHBondContact OG1-CB 3.19Å; D401-W404 HydrophobicContact CB-CB 4.08Å; D401-W404 PolarHBondContact O-N 3.04Å; W404-R408 WeakPolarHBondContact O-CB 3.34Å; W404-R408 PolarHBondContact O-N 3.37Å
405	L	91.9	Very high	89	Confident	3 Å²	3	38.5 Å²	38.5	2%	0.016	19%	0.194	C	C	.	.	H	α-helix	trans	-66.2	-48.8	-177.7	171.7	60.2	0	0	0	110	A384 R385 N393 M395 I403 K407 R408 L409	A384-L405 HydrophobicContact CB-CD2 3.9Å; A384-L405 HydrophobicContact CB-CG 4.1Å; A384-L405 WeakPolarHBondContact O-CD2 3.23Å; R385-L405 HydrophobicContact CG-CD2 3.8Å; N393-L405 HydrophobicContact CB-CD2 4.47Å; M395-L405 HydrophobicContact CE-CD1 3.54Å; M395-L405 HydrophobicContact CG-CD1 4.4Å; M395-L405 HydrophobicContact SD-CD1 3.15Å; M395-L405 WeakPolarHBondContact SD-CD1 3.15Å; I403-L405 PolarHBondContact O-N 2.94Å; L405-K407 VanDerWaalsContact C-N 3.33Å; L405-K407 PolarHBondContact O-N 2.64Å; L405-R408 PolarHBondContact O-N 2.98Å; L405-L409 HydrophobicContact CD1-CD1 4.16Å; L405-L409 HydrophobicContact CD1-CG 4.32Å; L405-L409 HydrophobicContact CG-CD1 4.2Å; L405-L409 WeakPolarHBondContact O-CB 3.26Å; L405-L409 WeakPolarHBondContact O-CG 3.35Å; L405-L409 PolarHBondContact O-N 3.26Å
406	E	93.9	Very high	89.3	Confident	12 Å²	12	37.9 Å²	37.9	6%	0.056	19%	0.191	C	C	.	.	H	α-helix	trans	-61.4	-44.7	178.8	-64.8	74.5	-165.8	0	0	110	W381 A384 R385 I403 R408 L409 L410 F434	W381-E406 HydrophobicContact CH2-CB 4.26Å; W381-E406 HydrophobicContact CH2-CG 4.36Å; W381-E406 HydrophobicContact CZ2-CB 4.43Å; W381-E406 HydrophobicContact CZ2-CG 4.1Å; A384-E406 HydrophobicContact CB-CG 4.04Å; R385-E406 IonicContact CZ-OE1 3.84Å; R385-E406 IonicContact CZ-OE2 3.4Å; R385-E406 IonicContact NE-OE1 3.94Å; R385-E406 PolarHBondContact NE-OE1 2.9Å; R385-E406 IonicContact NE-OE2 3.23Å; R385-E406 IonicContact NH2-OE1 3.54Å; R385-E406 PolarHBondContact NH2-OE1 3.35Å; R385-E406 IonicContact NH2-OE2 3.62Å; R385-E406 PolarHBondContact NH2-OE2 3.31Å; I403-E406 WeakPolarHBondContact CA-OE2 3.08Å; I403-E406 HydrophobicContact CB-CB 4.45Å; I403-E406 PolarHBondContact O-N 3.38Å; I403-E406 VanDerWaalsContact O-OE2 3.14Å; E406-R408 PolarHBondContact O-N 3.23Å; E406-L409 PolarHBondContact O-N 2.94Å; E406-L410 WeakPolarHBondContact O-CB 3.32Å; E406-L410 WeakPolarHBondContact O-CG 3.31Å; E406-L410 PolarHBondContact O-N 3.14Å; E406-F434 HydrophobicContact CB-CD2 4.16Å
407	K	93.9	Very high	89.7	Confident	46 Å²	46	33.9 Å²	33.9	20%	0.2	18%	0.175	C	C	.	.	H	α-helix	trans	-60	-42.4	174.5	-66.6	-175.9	178.3	164.9	0	112.7	D401 I403 L405 L409 R411 E433 E437	D401-K407 IonicContact OD1-NZ 3.97Å; D401-K407 WeakPolarHBondContact OD2-CD 3.14Å; D401-K407 WeakPolarHBondContact OD2-CE 3.23Å; D401-K407 IonicContact OD2-NZ 3.92Å; D401-K407 PolarHBondContact OD2-NZ 3.26Å; I403-K407 HydrophobicContact CD1-CD 4.26Å; I403-K407 HydrophobicContact CD1-CG 3.85Å; I403-K407 HydrophobicContact CG1-CD 4.31Å; I403-K407 HydrophobicContact CG1-CG 4.21Å; I403-K407 WeakPolarHBondContact O-CG 3.07Å; I403-K407 PolarHBondContact O-N 2.78Å; L405-K407 VanDerWaalsContact C-N 3.33Å; L405-K407 PolarHBondContact O-N 2.64Å; K407-L409 VanDerWaalsContact C-N 3.35Å; K407-R411 VanDerWaalsContact O-CB 3.24Å; K407-R411 WeakPolarHBondContact O-CB 3.42Å; K407-R411 PolarHBondContact O-N 2.91Å; K407-E433 IonicContact NZ-OE2 3.3Å; K407-E437 HydrophobicContact CB-CG 4.36Å; K407-E437 HydrophobicContact CG-CB 4.29Å; K407-E437 HydrophobicContact CG-CG 3.95Å
408	R	93.2	Very high	90.7	Very high	15 Å²	15	31.3 Å²	31.3	6%	0.057	16%	0.162	C	C	.	.	H	α-helix	trans	-64.3	-39.7	176.5	174.3	173.6	170.1	178.8	-4.6	111.9	W404 L405 E406 S412 P884 E915	W404-R408 WeakPolarHBondContact O-CB 3.34Å; W404-R408 PolarHBondContact O-N 3.37Å; L405-R408 PolarHBondContact O-N 2.98Å; E406-R408 PolarHBondContact O-N 3.23Å; R408-S412 PolarHBondContact O-N 2.83Å; R408-S412 PolarHBondContact O-OG 2.83Å; R408-P884 HydrophobicContact CG-CB 4.42Å; R408-E915 IonicContact CZ-OE2 3.66Å; R408-E915 IonicContact NH1-OE2 3.1Å; R408-E915 PolarHBondContact NH1-OE2 3.26Å; R408-E915 IonicContact NH2-OE2 3.96Å
409	L	96.4	Very high	91.9	Very high	7 Å²	7	27.5 Å²	27.5	4%	0.037	14%	0.138	C	C	.	.	H	α-helix	trans	-68.4	-50.4	176.8	-75.6	176.4	0	0	0	111	W381 A384 L405 E406 K407 R411 S412 A413 F716 N717 I728	W381-L409 HydrophobicContact CH2-CB 3.75Å; W381-L409 HydrophobicContact CH2-CD1 3.79Å; W381-L409 HydrophobicContact CH2-CG 4.45Å; W381-L409 HydrophobicContact CZ3-CB 3.63Å; W381-L409 HydrophobicContact CZ3-CD1 4.16Å; A384-L409 HydrophobicContact CB-CD1 3.71Å; L405-L409 HydrophobicContact CD1-CD1 4.16Å; L405-L409 HydrophobicContact CD1-CG 4.32Å; L405-L409 HydrophobicContact CG-CD1 4.2Å; L405-L409 WeakPolarHBondContact O-CB 3.26Å; L405-L409 WeakPolarHBondContact O-CG 3.35Å; L405-L409 PolarHBondContact O-N 3.26Å; E406-L409 PolarHBondContact O-N 2.94Å; K407-L409 VanDerWaalsContact C-N 3.35Å; L409-R411 VanDerWaalsContact C-N 3.28Å; L409-R411 PolarHBondContact O-N 2.71Å; L409-S412 WeakPolarHBondContact O-CA 3.44Å; L409-S412 WeakPolarHBondContact O-CB 3.49Å; L409-S412 PolarHBondContact O-N 3.46Å; L409-A413 PolarHBondContact O-N 2.89Å; L409-F716 HydrophobicContact CB-CE1 4.03Å; L409-F716 HydrophobicContact CD2-CE1 4.37Å; L409-F716 VanDerWaalsContact O-CZ 3.23Å; L409-F716 WeakPolarHBondContact O-CZ 3.14Å; L409-N717 HydrophobicContact CD1-CB 4.27Å; L409-N717 HydrophobicContact CD2-CB 4.23Å; L409-I728 HydrophobicContact CD2-CD1 4.34Å; L409-I728 HydrophobicContact CD2-CG2 3.88Å
410	L	97.9	Very high	92.8	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-57.6	-40.9	175	-71.1	176.6	0	0	0	112.3	W381 E406 S412 A413 S414 I421 F434 E437 L441 L443	W381-L410 HydrophobicContact CZ3-CD2 4.24Å; W381-L410 HydrophobicContact CZ3-CG 4.41Å; E406-L410 WeakPolarHBondContact O-CB 3.32Å; E406-L410 WeakPolarHBondContact O-CG 3.31Å; E406-L410 PolarHBondContact O-N 3.14Å; L410-S412 VanDerWaalsContact C-N 3.27Å; L410-S412 PolarHBondContact O-N 3.13Å; L410-A413 WeakPolarHBondContact O-CB 3.19Å; L410-A413 PolarHBondContact O-N 2.75Å; L410-A413 VanDerWaalsContact O-N 3.16Å; L410-S414 PolarHBondContact O-N 2.76Å; L410-I421 HydrophobicContact CD2-CG1 4.24Å; L410-F434 HydrophobicContact CD1-CD2 3.74Å; L410-F434 HydrophobicContact CD1-CE2 3.8Å; L410-F434 HydrophobicContact CD1-CG 4.25Å; L410-F434 HydrophobicContact CD1-CZ 4.35Å; L410-F434 WeakPolarHBondContact CD1-O 3.49Å; L410-F434 HydrophobicContact CD2-CD2 4.45Å; L410-F434 HydrophobicContact CD2-CE2 3.65Å; L410-F434 HydrophobicContact CD2-CZ 3.78Å; L410-F434 HydrophobicContact CG-CD2 4.25Å; L410-F434 HydrophobicContact CG-CE2 3.86Å; L410-F434 HydrophobicContact CG-CZ 4.45Å; L410-E437 HydrophobicContact CD1-CB 4.01Å; L410-E437 HydrophobicContact CD1-CG 4.21Å; L410-L441 HydrophobicContact CB-CD1 3.71Å; L410-L443 HydrophobicContact CB-CD1 4.05Å; L410-L443 HydrophobicContact CD2-CD1 3.83Å; L410-L443 WeakPolarHBondContact O-CD1 3.27Å
411	R	95.9	Very high	93.8	Very high	57 Å²	57	17.5 Å²	17.5	22%	0.215	8%	0.082	C	C	.	.	H	α-helix	trans	-62.7	-35.1	172.9	-175.2	170.3	173.3	161.7	-0.6	112.4	K407 L409 A413 S414 L415 K881 A883 P884	K407-R411 VanDerWaalsContact O-CB 3.24Å; K407-R411 WeakPolarHBondContact O-CB 3.42Å; K407-R411 PolarHBondContact O-N 2.91Å; L409-R411 VanDerWaalsContact C-N 3.28Å; L409-R411 PolarHBondContact O-N 2.71Å; R411-A413 VanDerWaalsContact C-N 3.34Å; R411-S414 PolarHBondContact O-N 2.87Å; R411-L415 HydrophobicContact CG-CD1 3.9Å; R411-L415 HydrophobicContact CG-CG 4.26Å; R411-L415 WeakPolarHBondContact O-CB 3.39Å; R411-L415 VanDerWaalsContact O-CG 3.23Å; R411-L415 WeakPolarHBondContact O-CG 3.42Å; R411-L415 PolarHBondContact O-N 3.17Å; R411-K881 PolarHBondContact NH2-O 2.91Å; R411-A883 PolarHBondContact NE-O 2.81Å; R411-A883 PolarHBondContact NH2-O 2.84Å; R411-A883 VanDerWaalsContact NH2-O 3.15Å; R411-P884 WeakPolarHBondContact CD-O 3.07Å
412	S	96.6	Very high	94.5	Very high	2 Å²	2	14.8 Å²	14.8	1%	0.014	7%	0.068	C	C	.	.	H	α-helix	trans	-62.3	-42	173.3	-61.6	0	0	0	0	111.8	R408 L409 L410 L415 S416 W734 P884	R408-S412 PolarHBondContact O-N 2.83Å; R408-S412 PolarHBondContact O-OG 2.83Å; L409-S412 WeakPolarHBondContact O-CA 3.44Å; L409-S412 WeakPolarHBondContact O-CB 3.49Å; L409-S412 PolarHBondContact O-N 3.46Å; L410-S412 VanDerWaalsContact C-N 3.27Å; L410-S412 PolarHBondContact O-N 3.13Å; S412-L415 PolarHBondContact O-N 2.67Å; S412-S416 PolarHBondContact O-N 3.16Å; S412-S416 PolarHBondContact O-OG 2.91Å; S412-S416 VanDerWaalsContact O-OG 3.08Å; S412-W734 PolarHBondContact OG-NE1 3.49Å; S412-P884 VanDerWaalsContact OG-CB 3.28Å; S412-P884 WeakPolarHBondContact OG-CB 3.48Å
413	A	97.3	Very high	95.2	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-60.8	-50.8	175.3	0	0	0	0	0	111.6	L409 L410 R411 L415 S416 G417 I418 I421 L443 F716	L409-A413 PolarHBondContact O-N 2.89Å; L410-A413 WeakPolarHBondContact O-CB 3.19Å; L410-A413 PolarHBondContact O-N 2.75Å; L410-A413 VanDerWaalsContact O-N 3.16Å; R411-A413 VanDerWaalsContact C-N 3.34Å; A413-L415 VanDerWaalsContact C-N 3.31Å; A413-L415 PolarHBondContact O-N 3.48Å; A413-S416 PolarHBondContact O-N 2.76Å; A413-S416 VanDerWaalsContact O-N 3.12Å; A413-S416 PolarHBondContact O-OG 3.17Å; A413-G417 PolarHBondContact O-N 3.04Å; A413-I418 HydrophobicContact CB-CB 4.02Å; A413-I418 HydrophobicContact CB-CD1 4.09Å; A413-I418 HydrophobicContact CB-CG2 4.07Å; A413-I418 WeakPolarHBondContact O-CB 3.29Å; A413-I418 PolarHBondContact O-N 3.37Å; A413-I421 HydrophobicContact CB-CD1 3.89Å; A413-I421 HydrophobicContact CB-CG1 4.48Å; A413-L443 HydrophobicContact CB-CD1 4.29Å; A413-L443 HydrophobicContact CB-CD2 4.28Å; A413-F716 HydrophobicContact CB-CE2 3.67Å; A413-F716 HydrophobicContact CB-CZ 3.64Å
414	S	94.9	Very high	95.7	Very high	20 Å²	20	11.3 Å²	11.3	14%	0.14	6%	0.055	C	C	.	.	H	α-helix	trans	-55.2	-44.9	177.4	173.1	0	0	0	0	112.3	I312 L410 R411 S416 G417	I312-S414 WeakPolarHBondContact CD1-OG 3.23Å; L410-S414 PolarHBondContact O-N 2.76Å; R411-S414 PolarHBondContact O-N 2.87Å; S414-S416 VanDerWaalsContact C-N 3.29Å; S414-S416 PolarHBondContact O-N 2.86Å; S414-G417 PolarHBondContact O-N 3.23Å
415	L	93.3	Very high	96.1	Very high	45 Å²	45	10.6 Å²	10.6	24%	0.236	5%	0.052	C	C	.	.	H	α-helix	trans	-72.9	-14.9	-179.4	-71.7	172.2	0	0	0	114.7	R411 S412 A413 W734 P884	R411-L415 HydrophobicContact CG-CD1 3.9Å; R411-L415 HydrophobicContact CG-CG 4.26Å; R411-L415 WeakPolarHBondContact O-CB 3.39Å; R411-L415 VanDerWaalsContact O-CG 3.23Å; R411-L415 WeakPolarHBondContact O-CG 3.42Å; R411-L415 PolarHBondContact O-N 3.17Å; S412-L415 PolarHBondContact O-N 2.67Å; A413-L415 VanDerWaalsContact C-N 3.31Å; A413-L415 PolarHBondContact O-N 3.48Å; L415-W734 HydrophobicContact CB-CH2 4.34Å; L415-P884 HydrophobicContact CD1-CB 4.37Å; L415-P884 HydrophobicContact CD1-CG 4.11Å
416	S	94	Very high	96.3	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	7.7	176.4	60.7	0	0	0	0	113.3	S412 A413 S414 I418 H738 K743	S412-S416 PolarHBondContact O-N 3.16Å; S412-S416 PolarHBondContact O-OG 2.91Å; S412-S416 VanDerWaalsContact O-OG 3.08Å; A413-S416 PolarHBondContact O-N 2.76Å; A413-S416 VanDerWaalsContact O-N 3.12Å; A413-S416 PolarHBondContact O-OG 3.17Å; S414-S416 VanDerWaalsContact C-N 3.29Å; S414-S416 PolarHBondContact O-N 2.86Å; S416-I418 PolarHBondContact O-N 3.4Å; S416-H738 VanDerWaalsContact CB-NE2 3.3Å; S416-H738 WeakPolarHBondContact CB-NE2 3.43Å; S416-H738 PolarHBondContact OG-NE2 2.99Å; S416-K743 WeakPolarHBondContact O-CA 3.08Å
417	G	93	Very high	96.4	Very high	8 Å²	8	10 Å²	10	8%	0.082	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.3	8.4	178.1	0	0	0	0	0	114.1	K377 A413 S414 N419	K377-G417 VanDerWaalsContact CE-O 3.27Å; K377-G417 WeakPolarHBondContact CE-O 3.19Å; A413-G417 PolarHBondContact O-N 3.04Å; S414-G417 PolarHBondContact O-N 3.23Å; G417-N419 PolarHBondContact O-N 3.27Å
418	I	97.2	Very high	96.5	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.042	C	C	.	.			trans	-61.8	129.9	165.4	-67.9	167.2	0	0	0	107.4	K377 A379 A413 S416 L420 I421 L443 Y713 F716 I742 Y746	K377-I418 CarbonylContact O-C 3.55Å; K377-I418 VanDerWaalsContact O-CA 3.26Å; K377-I418 WeakPolarHBondContact O-CA 3.45Å; K377-I418 WeakPolarHBondContact O-CG2 3.26Å; A379-I418 HydrophobicContact CB-CD1 3.85Å; A413-I418 HydrophobicContact CB-CB 4.02Å; A413-I418 HydrophobicContact CB-CD1 4.09Å; A413-I418 HydrophobicContact CB-CG2 4.07Å; A413-I418 WeakPolarHBondContact O-CB 3.29Å; A413-I418 PolarHBondContact O-N 3.37Å; S416-I418 PolarHBondContact O-N 3.4Å; I418-L420 WeakPolarHBondContact CG2-O 3.33Å; I418-I421 HydrophobicContact CG2-CD1 4.04Å; I418-L443 VanDerWaalsContact O-CD2 3.25Å; I418-L443 WeakPolarHBondContact O-CD2 3.29Å; I418-Y713 HydrophobicContact CD1-CE1 4.12Å; I418-F716 HydrophobicContact CD1-CD2 3.85Å; I418-F716 HydrophobicContact CD1-CE2 3.73Å; I418-I742 HydrophobicContact CD1-CG2 3.79Å; I418-I742 HydrophobicContact CG1-CG2 3.75Å; I418-Y746 HydrophobicContact CG1-CD2 3.72Å; I418-Y746 HydrophobicContact CG1-CE2 4.05Å
419	N	96.8	Very high	96.7	Very high	1 Å²	1	8.2 Å²	8.2	1%	0.005	4%	0.041	C	C	.	.			trans	-114	-2.5	177.9	67.4	1.4	0	0	0	113.2	I312 F375 K377 G417 M444	I312-N419 HydrophobicContact CG2-CB 3.87Å; F375-N419 PolarHBondContact O-ND2 3.09Å; K377-N419 PolarHBondContact N-OD1 3.42Å; K377-N419 PolarHBondContact O-N 2.93Å; K377-N419 PolarHBondContact O-OD1 2.98Å; G417-N419 PolarHBondContact O-N 3.27Å; N419-M444 HydrophobicContact CB-CE 4.12Å; N419-M444 WeakPolarHBondContact O-CB 3.34Å; N419-M444 VanDerWaalsContact O-CE 3.26Å; N419-M444 WeakPolarHBondContact O-CE 3.3Å; N419-M444 PolarHBondContact O-N 2.82Å
420	L	98.6	Very high	96.6	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	138.2	176.3	-175.3	142.9	0	0	0	111.9	I376 G378 A379 I418 R422 M444 W446 I483 I712	I376-L420 HydrophobicContact CD1-CB 4.44Å; I376-L420 HydrophobicContact CD1-CD1 3.83Å; I376-L420 HydrophobicContact CG1-CD1 4.27Å; I376-L420 HydrophobicContact CG2-CB 3.7Å; I376-L420 HydrophobicContact CG2-CD1 3.89Å; I376-L420 HydrophobicContact CG2-CD2 4.16Å; I376-L420 HydrophobicContact CG2-CG 4.13Å; G378-L420 WeakPolarHBondContact CA-O 3.35Å; A379-L420 PolarHBondContact N-O 3.28Å; I418-L420 WeakPolarHBondContact CG2-O 3.33Å; L420-R422 HydrophobicContact CD2-CB 4.31Å; L420-M444 CarbonylContact C-O 3.47Å; L420-M444 WeakPolarHBondContact CA-O 3.35Å; L420-M444 HydrophobicContact CB-CB 4.19Å; L420-M444 HydrophobicContact CB-CE 4.45Å; L420-M444 HydrophobicContact CD1-CB 4.01Å; L420-M444 HydrophobicContact CG-CB 4.18Å; L420-W446 HydrophobicContact CD1-CB 4.38Å; L420-W446 HydrophobicContact CD2-CB 4.01Å; L420-I483 HydrophobicContact CD1-CD1 3.65Å; L420-I483 HydrophobicContact CD1-CG1 4.23Å; L420-I712 HydrophobicContact CD2-CD1 3.54Å; L420-I712 HydrophobicContact CD2-CG1 4.09Å
421	I	98.8	Very high	96.4	Very high	1 Å²	1	10.7 Å²	10.7	1%	0.005	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	126.5	167.6	-66.6	-63.1	0	0	0	108.7	A379 W381 L410 A413 I418 I423 F434 L443 M444 I445 W446 F716	A379-I421 HydrophobicContact CB-CD1 4.4Å; W381-I421 HydrophobicContact CB-CG2 3.37Å; W381-I421 HydrophobicContact CD2-CG2 4.44Å; W381-I421 HydrophobicContact CE3-CG2 4.38Å; W381-I421 HydrophobicContact CG-CG2 4.06Å; L410-I421 HydrophobicContact CD2-CG1 4.24Å; A413-I421 HydrophobicContact CB-CD1 3.89Å; A413-I421 HydrophobicContact CB-CG1 4.48Å; I418-I421 HydrophobicContact CG2-CD1 4.04Å; I421-I423 HydrophobicContact CG2-CD1 3.98Å; I421-F434 HydrophobicContact CG2-CZ 4.47Å; I421-L443 HydrophobicContact CG1-CD1 4.45Å; I421-M444 PolarHBondContact N-O 3.44Å; I421-I445 VanDerWaalsContact O-CA 3.27Å; I421-I445 WeakPolarHBondContact O-CA 3.39Å; I421-W446 PolarHBondContact O-N 3.06Å; I421-F716 HydrophobicContact CD1-CG 4.49Å
422	R	98.9	Very high	96.3	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	114.5	171.7	174	162.8	173.7	-108.1	6.4	109.7	A379 N380 W381 L420 W424 W446 D448 N489 S551 E599 I712	A379-R422 PolarHBondContact O-N 2.98Å; N380-R422 WeakPolarHBondContact OD1-CB 3.39Å; N380-R422 WeakPolarHBondContact OD1-CD 3.46Å; N380-R422 WeakPolarHBondContact OD1-CG 3.13Å; N380-R422 PolarHBondContact OD1-NH1 3.47Å; W381-R422 WeakPolarHBondContact CB-O 3.33Å; W381-R422 PolarHBondContact N-O 3.3Å; L420-R422 HydrophobicContact CD2-CB 4.31Å; R422-W424 PolarHBondContact O-N 2.87Å; R422-W446 CarbonylContact C-O 3.52Å; R422-W446 VanDerWaalsContact CA-O 3.27Å; R422-W446 WeakPolarHBondContact CA-O 3.11Å; R422-W446 HydrophobicContact CB-CB 4Å; R422-W446 HydrophobicContact CB-CG 4.29Å; R422-W446 HydrophobicContact CG-CB 4.1Å; R422-W446 HydrophobicContact CG-CG 3.89Å; R422-D448 IonicContact CZ-OD1 3.64Å; R422-D448 IonicContact CZ-OD2 3.48Å; R422-D448 IonicContact NE-OD1 3.48Å; R422-D448 PolarHBondContact NE-OD1 2.9Å; R422-D448 IonicContact NE-OD2 2.9Å; R422-D448 PolarHBondContact NE-OD2 3.21Å; R422-D448 IonicContact NH2-OD1 3.3Å; R422-D448 PolarHBondContact NH2-OD1 2.94Å; R422-D448 IonicContact NH2-OD2 3.74Å; R422-D448 PolarHBondContact NH2-OD2 3.22Å; R422-N489 PolarHBondContact NH1-OD1 3.31Å; R422-N489 PolarHBondContact NH2-OD1 3.12Å; R422-S551 PolarHBondContact NH2-OG 3.46Å; R422-E599 IonicContact CZ-OE1 3.88Å; R422-E599 IonicContact NH1-OE1 3.69Å; R422-E599 PolarHBondContact NH1-OE1 3.33Å; R422-I712 HydrophobicContact CB-CD1 4.15Å; R422-I712 HydrophobicContact CB-CG2 3.99Å
423	I	98.8	Very high	96.2	Very high	2 Å²	2	13.7 Å²	13.7	1%	0.01	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	112.2	173.1	-52	-58.6	0	0	0	107.2	W381 I421 F434 I445 W446 D448 M450	W381-I423 HydrophobicContact CB-CD1 4.23Å; W381-I423 HydrophobicContact CG-CD1 4.08Å; I421-I423 HydrophobicContact CG2-CD1 3.98Å; I423-F434 HydrophobicContact CD1-CE1 3.53Å; I423-F434 HydrophobicContact CD1-CZ 3.5Å; I423-F434 VanDerWaalsContact CD1-CZ 3.5Å; I423-F434 HydrophobicContact CG1-CE1 4.48Å; I423-I445 HydrophobicContact CG1-CG2 3.81Å; I423-W446 PolarHBondContact N-O 2.73Å; I423-D448 VanDerWaalsContact O-CB 3.3Å; I423-D448 WeakPolarHBondContact O-CB 3.46Å; I423-D448 PolarHBondContact O-N 2.86Å; I423-M450 HydrophobicContact CG2-CE 4.24Å
424	W	98.5	Very high	96.2	Very high	4 Å²	4	13.8 Å²	13.8	2%	0.015	7%	0.072	C	C	.	.			trans	-80.4	136.2	-171	172.8	71.9	0	0	0	112.9	W206 W208 W381 I382 R422 G426 G427 A452 N489 W714	W206-W424 AromaticContact CD1-CH2 3.98Å; W206-W424 AromaticContact CD2-CH2 3.55Å; W206-W424 HydrophobicContact CD2-CH2 3.55Å; W206-W424 HydrophobicContact CD2-CZ2 4.06Å; W206-W424 AromaticContact CE2-CH2 3.27Å; W206-W424 AromaticContact CE2-CZ2 3.26Å; W206-W424 HydrophobicContact CE3-CH2 4.04Å; W206-W424 HydrophobicContact CG-CH2 4.01Å; W206-W424 AromaticContact CH2-CH2 3.98Å; W206-W424 HydrophobicContact CH2-CH2 3.98Å; W206-W424 AromaticContact CH2-CZ2 3.94Å; W206-W424 HydrophobicContact CH2-CZ2 3.94Å; W206-W424 AromaticContact CZ2-CH2 3.54Å; W206-W424 HydrophobicContact CZ2-CH2 3.54Å; W206-W424 AromaticContact CZ2-CZ2 3.22Å; W206-W424 HydrophobicContact CZ2-CZ2 3.22Å; W206-W424 HydrophobicContact CZ3-CH2 4.21Å; W206-W424 AromaticContact NE1-CH2 3.55Å; W206-W424 AromaticContact NE1-CZ2 3.41Å; W208-W424 HydrophobicContact CZ2-CH2 4.02Å; W208-W424 AromaticContact CZ2-CZ3 3.68Å; W208-W424 HydrophobicContact CZ2-CZ3 3.68Å; W381-W424 VanDerWaalsContact O-CB 3.31Å; W381-W424 WeakPolarHBondContact O-CB 3.19Å; W381-W424 PolarHBondContact O-N 3.44Å; I382-W424 HydrophobicContact CG2-CE3 4.05Å; R422-W424 PolarHBondContact O-N 2.87Å; W424-G426 PolarHBondContact O-N 2.86Å; W424-G426 VanDerWaalsContact O-N 3.11Å; W424-G427 PolarHBondContact O-N 2.89Å; W424-A452 HydrophobicContact CZ2-CB 4.26Å; W424-N489 PolarHBondContact NE1-ND2 3.38Å; W424-W714 HydrophobicContact CB-CH2 4.23Å; W424-W714 HydrophobicContact CB-CZ3 3.93Å; W424-W714 AromaticContact CD1-CH2 3.71Å; W424-W714 AromaticContact CD1-CZ3 3.4Å; W424-W714 VanDerWaalsContact CD1-CZ3 3.4Å; W424-W714 AromaticContact CD2-CH2 3.52Å; W424-W714 HydrophobicContact CD2-CH2 3.52Å; W424-W714 AromaticContact CD2-CZ3 3.99Å; W424-W714 HydrophobicContact CD2-CZ3 3.99Å; W424-W714 AromaticContact CE2-CH2 3.58Å; W424-W714 HydrophobicContact CE3-CH2 4.11Å; W424-W714 AromaticContact CG-CH2 3.58Å; W424-W714 HydrophobicContact CG-CH2 3.58Å; W424-W714 AromaticContact CG-CZ3 3.51Å; W424-W714 HydrophobicContact CG-CZ3 3.51Å; W424-W714 HydrophobicContact CZ2-CH2 4.16Å; W424-W714 AromaticContact NE1-CH2 3.7Å; W424-W714 AromaticContact NE1-CZ3 3.76Å
425	G	98.1	Very high	96.4	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-17.2	-171.2	0	0	0	0	0	116.4	G427 D448 M449 M450 F451	G425-G427 PolarHBondContact O-N 2.87Å; G425-D448 PolarHBondContact N-OD2 2.8Å; G425-D448 VanDerWaalsContact N-OD2 3.12Å; G425-M449 VanDerWaalsContact CA-O 3.31Å; G425-M449 WeakPolarHBondContact CA-O 3.3Å; G425-M450 CarbonylContact O-C 3.6Å; G425-M450 WeakPolarHBondContact O-CA 3.4Å; G425-F451 PolarHBondContact O-N 2.95Å
426	G	97.1	Very high	96.6	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-6.3	174.7	0	0	0	0	0	113.5	Q201 S202 W424 A452	Q201-G426 PolarHBondContact N-O 3.04Å; Q201-G426 VanDerWaalsContact N-O 3.08Å; S202-G426 PolarHBondContact N-O 2.82Å; S202-G426 PolarHBondContact OG-O 3.04Å; W424-G426 PolarHBondContact O-N 2.86Å; W424-G426 VanDerWaalsContact O-N 3.11Å; G426-A452 VanDerWaalsContact N-CB 3.26Å
427	G	96	Very high	96.8	Very high	1 Å²	1	14.8 Å²	14.8	1%	0.01	7%	0.073	C	C	.	.	S	Bend	trans	-87.6	-134.8	-179.1	0	0	0	0	0	113.9	T200 P383 W424 G425 M450	T200-G427 WeakPolarHBondContact CA-O 3.42Å; P383-G427 VanDerWaalsContact CG-CA 3.42Å; W424-G427 PolarHBondContact O-N 2.89Å; G425-G427 PolarHBondContact O-N 2.87Å; G427-M450 VanDerWaalsContact C-SD 3.56Å
428	R	94.8	Very high	97.1	Very high	12 Å²	12	14.4 Å²	14.4	5%	0.045	7%	0.069	C	C	.	.			trans	-142.1	161.6	178.8	68.1	-179.2	71.3	122.5	1.5	110.7	F134 T200 P383 R385 Y386 E430 M450	F134-R428 HydrophobicContact CE1-CB 3.92Å; T200-R428 PolarHBondContact OG1-NE 2.95Å; P383-R428 HydrophobicContact CB-CG 4.38Å; P383-R428 HydrophobicContact CG-CG 4.19Å; R385-R428 PolarHBondContact O-NH1 3.08Å; R385-R428 PolarHBondContact O-NH2 3.4Å; Y386-R428 PolarHBondContact O-NH2 3.18Å; R428-E430 PolarHBondContact O-N 3.41Å; R428-M450 VanDerWaalsContact C-CE 3.47Å; R428-M450 WeakPolarHBondContact CA-SD 3.27Å; R428-M450 PolarHBondContact N-SD 2.85Å; R428-M450 VanDerWaalsContact N-SD 3.43Å
429	Y	97.1	Very high	97.2	Very high	12 Å²	12	14.4 Å²	14.4	5%	0.047	7%	0.069	C	C	.	.	P	Polyproline II helix	trans	-65.7	118.2	162.8	-53.2	-86.4	0	0	0	108.1	F134 H447 M449 M450 E468 Q472 L476	F134-Y429 HydrophobicContact CB-CD2 3.94Å; F134-Y429 HydrophobicContact CB-CE2 3.83Å; F134-Y429 AromaticContact CD1-CD2 3.6Å; F134-Y429 HydrophobicContact CD1-CD2 3.6Å; F134-Y429 AromaticContact CD1-CE2 3.94Å; F134-Y429 HydrophobicContact CD1-CE2 3.94Å; F134-Y429 HydrophobicContact CD2-CE2 4.3Å; F134-Y429 HydrophobicContact CE1-CD2 4.24Å; F134-Y429 AromaticContact CG-CD2 3.87Å; F134-Y429 HydrophobicContact CG-CD2 3.87Å; F134-Y429 AromaticContact CG-CE2 3.77Å; F134-Y429 HydrophobicContact CG-CE2 3.77Å; Y429-H447 AromaticContact CD1-CE1 3.47Å; Y429-H447 VanDerWaalsContact CD1-CE1 3.47Å; Y429-H447 WeakPolarHBondContact CD1-CE1 3.15Å; Y429-H447 AromaticContact CE1-CE1 3.77Å; Y429-M449 HydrophobicContact CE1-CE 4.28Å; Y429-M449 HydrophobicContact CE1-SD 3.97Å; Y429-M450 HydrophobicContact CD1-CE 3.6Å; Y429-M450 HydrophobicContact CD2-CE 4.15Å; Y429-M450 HydrophobicContact CD2-CG 3.63Å; Y429-M450 HydrophobicContact CE1-CE 3.67Å; Y429-M450 HydrophobicContact CE1-CG 4.24Å; Y429-M450 HydrophobicContact CE2-CB 4.15Å; Y429-M450 HydrophobicContact CE2-CE 4.24Å; Y429-M450 HydrophobicContact CE2-CG 3.24Å; Y429-M450 HydrophobicContact CG-CE 3.82Å; Y429-M450 HydrophobicContact CG-CG 4.27Å; Y429-E468 HydrophobicContact CE2-CG 4.13Å; Y429-E468 WeakPolarHBondContact CE2-OE1 3.48Å; Y429-E468 PolarHBondContact OH-OE1 3.43Å; Y429-Q472 HydrophobicContact CD1-CB 3.86Å; Y429-Q472 HydrophobicContact CD1-CG 3.76Å; Y429-Q472 HydrophobicContact CD2-CG 3.78Å; Y429-Q472 HydrophobicContact CE1-CB 3.66Å; Y429-Q472 HydrophobicContact CE1-CG 3.69Å; Y429-Q472 HydrophobicContact CE2-CG 3.69Å; Y429-Q472 HydrophobicContact CG-CB 4.44Å; Y429-Q472 VanDerWaalsContact CG-CD 3.43Å; Y429-Q472 HydrophobicContact CG-CG 3.83Å; Y429-L476 HydrophobicContact CD1-CD1 4.44Å
430	E	95.6	Very high	97.2	Very high	12 Å²	12	20.5 Å²	20.5	6%	0.056	10%	0.095	C	C	.	.	P	Polyproline II helix	trans	-66.3	170.1	179.3	-65.1	-64.2	167	0	0	112.1	W381 P383 R428 F434 Y435	W381-E430 PolarHBondContact NE1-OE1 3.31Å; P383-E430 WeakPolarHBondContact CA-OE1 3.21Å; R428-E430 PolarHBondContact O-N 3.41Å; E430-F434 HydrophobicContact CB-CB 3.73Å; E430-F434 HydrophobicContact CB-CD1 3.72Å; E430-F434 HydrophobicContact CB-CD2 4.14Å; E430-F434 HydrophobicContact CB-CE1 4.38Å; E430-F434 HydrophobicContact CB-CG 3.6Å; E430-F434 HydrophobicContact CG-CD1 4.09Å; E430-F434 HydrophobicContact CG-CD2 4.07Å; E430-F434 HydrophobicContact CG-CE1 4.3Å; E430-F434 HydrophobicContact CG-CE2 4.27Å; E430-F434 HydrophobicContact CG-CG 4Å; E430-F434 HydrophobicContact CG-CZ 4.38Å; E430-Y435 HydrophobicContact CB-CE2 4.13Å; E430-Y435 PolarHBondContact N-OH 3.02Å; E430-Y435 VanDerWaalsContact N-OH 3.16Å; E430-Y435 WeakPolarHBondContact O-CE2 3.32Å
431	D	92.8	Very high	97.2	Very high	48 Å²	48	21.7 Å²	21.7	26%	0.257	10%	0.102	S	C	.	.	P	Polyproline II helix	trans	-64.4	148.8	175.9	-168.8	-78.4	0	0	0	111.2	R402 I403 E433 F434 Y435	R402-D431 IonicContact CZ-OD2 3.99Å; R402-D431 IonicContact NH1-OD2 2.73Å; R402-D431 PolarHBondContact NH1-OD2 3.23Å; I403-D431 HydrophobicContact CG2-CB 4.04Å; D431-E433 PolarHBondContact O-N 2.82Å; D431-E433 VanDerWaalsContact O-N 3.09Å; D431-E433 WeakPolarHBondContact OD1-CB 3.31Å; D431-E433 PolarHBondContact OD1-N 3.05Å; D431-F434 WeakPolarHBondContact O-CB 3.26Å; D431-F434 PolarHBondContact O-N 2.84Å; D431-Y435 WeakPolarHBondContact O-CD2 3.49Å
432	D	94.3	Very high	97.2	Very high	48 Å²	48	21.7 Å²	21.7	26%	0.257	10%	0.101	S	C	.	.	H	α-helix	trans	-54.5	-34.1	179.9	-70.9	7.3	0	0	0	112.4	F434 Y435 K436 R475	D432-F434 PolarHBondContact O-N 2.8Å; D432-Y435 PolarHBondContact O-N 2.76Å; D432-K436 WeakPolarHBondContact O-CG 3.04Å; D432-K436 PolarHBondContact O-N 2.88Å; D432-K436 VanDerWaalsContact O-N 3.15Å; D432-R475 WeakPolarHBondContact OD1-CD 3.13Å; D432-R475 IonicContact OD1-CZ 3.75Å; D432-R475 VanDerWaalsContact OD1-CZ 3.31Å; D432-R475 IonicContact OD1-NE 3.09Å; D432-R475 IonicContact OD1-NH1 3.65Å; D432-R475 PolarHBondContact OD1-NH1 2.96Å
433	E	94.3	Very high	97.1	Very high	74 Å²	74	21.7 Å²	21.7	35%	0.346	10%	0.101	S	C	.	.	H	α-helix	trans	-66.9	-23.9	177.6	-70.4	-70.5	124.7	0	0	113.1	I403 K407 D431 K436 E437	I403-E433 VanDerWaalsContact CD1-C 3.42Å; I403-E433 HydrophobicContact CD1-CB 3.29Å; I403-E433 HydrophobicContact CG1-CB 3.83Å; K407-E433 IonicContact NZ-OE2 3.3Å; D431-E433 PolarHBondContact O-N 2.82Å; D431-E433 VanDerWaalsContact O-N 3.09Å; D431-E433 WeakPolarHBondContact OD1-CB 3.31Å; D431-E433 PolarHBondContact OD1-N 3.05Å; E433-K436 VanDerWaalsContact OE1-CD 3.29Å; E433-K436 WeakPolarHBondContact OE1-CD 3.38Å; E433-K436 WeakPolarHBondContact OE1-CE 3.07Å; E433-K436 IonicContact OE1-NZ 3.98Å; E433-K436 PolarHBondContact OE1-NZ 3.38Å; E433-E437 PolarHBondContact O-N 3.22Å
434	F	97.4	Very high	97.1	Very high	1 Å²	1	21.6 Å²	21.6	0%	0.004	10%	0.101	C	C	.	.	H	α-helix	trans	-62.2	-49.5	172.4	170.4	-85.8	0	0	0	110.5	W381 E406 L410 I421 I423 E430 D431 D432 E437 A438 I445	W381-F434 AromaticContact CD2-CE2 3.96Å; W381-F434 HydrophobicContact CD2-CE2 3.96Å; W381-F434 HydrophobicContact CD2-CZ 4.21Å; W381-F434 AromaticContact CE2-CE2 3.6Å; W381-F434 HydrophobicContact CE3-CE2 4.15Å; W381-F434 HydrophobicContact CH2-CD2 4.37Å; W381-F434 AromaticContact CH2-CE2 3.73Å; W381-F434 HydrophobicContact CH2-CE2 3.73Å; W381-F434 HydrophobicContact CZ2-CD2 4.07Å; W381-F434 AromaticContact CZ2-CE2 3.5Å; W381-F434 HydrophobicContact CZ2-CE2 3.5Å; W381-F434 HydrophobicContact CZ2-CZ 4.48Å; W381-F434 HydrophobicContact CZ3-CE2 4.02Å; E406-F434 HydrophobicContact CB-CD2 4.16Å; L410-F434 HydrophobicContact CD1-CD2 3.74Å; L410-F434 HydrophobicContact CD1-CE2 3.8Å; L410-F434 HydrophobicContact CD1-CG 4.25Å; L410-F434 HydrophobicContact CD1-CZ 4.35Å; L410-F434 WeakPolarHBondContact CD1-O 3.49Å; L410-F434 HydrophobicContact CD2-CD2 4.45Å; L410-F434 HydrophobicContact CD2-CE2 3.65Å; L410-F434 HydrophobicContact CD2-CZ 3.78Å; L410-F434 HydrophobicContact CG-CD2 4.25Å; L410-F434 HydrophobicContact CG-CE2 3.86Å; L410-F434 HydrophobicContact CG-CZ 4.45Å; I421-F434 HydrophobicContact CG2-CZ 4.47Å; I423-F434 HydrophobicContact CD1-CE1 3.53Å; I423-F434 HydrophobicContact CD1-CZ 3.5Å; I423-F434 VanDerWaalsContact CD1-CZ 3.5Å; I423-F434 HydrophobicContact CG1-CE1 4.48Å; E430-F434 HydrophobicContact CB-CB 3.73Å; E430-F434 HydrophobicContact CB-CD1 3.72Å; E430-F434 HydrophobicContact CB-CD2 4.14Å; E430-F434 HydrophobicContact CB-CE1 4.38Å; E430-F434 HydrophobicContact CB-CG 3.6Å; E430-F434 HydrophobicContact CG-CD1 4.09Å; E430-F434 HydrophobicContact CG-CD2 4.07Å; E430-F434 HydrophobicContact CG-CE1 4.3Å; E430-F434 HydrophobicContact CG-CE2 4.27Å; E430-F434 HydrophobicContact CG-CG 4Å; E430-F434 HydrophobicContact CG-CZ 4.38Å; D431-F434 WeakPolarHBondContact O-CB 3.26Å; D431-F434 PolarHBondContact O-N 2.84Å; D432-F434 PolarHBondContact O-N 2.8Å; F434-E437 PolarHBondContact O-N 3.39Å; F434-A438 PolarHBondContact O-N 3.07Å; F434-I445 HydrophobicContact CE1-CD1 4Å
435	Y	98.7	Very high	97.2	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-69	-37.4	-178.4	-56.1	-83.9	0	0	0	111.5	E430 D431 D432 E437 A438 D439 I445 H447 L476 H479 I482	E430-Y435 HydrophobicContact CB-CE2 4.13Å; E430-Y435 PolarHBondContact N-OH 3.02Å; E430-Y435 VanDerWaalsContact N-OH 3.16Å; E430-Y435 WeakPolarHBondContact O-CE2 3.32Å; D431-Y435 WeakPolarHBondContact O-CD2 3.49Å; D432-Y435 PolarHBondContact O-N 2.76Å; Y435-E437 VanDerWaalsContact C-N 3.32Å; Y435-E437 PolarHBondContact O-N 2.92Å; Y435-A438 WeakPolarHBondContact O-CB 3.43Å; Y435-A438 PolarHBondContact O-N 3.19Å; Y435-D439 PolarHBondContact O-N 3.24Å; Y435-I445 HydrophobicContact CD1-CD1 3.62Å; Y435-I445 HydrophobicContact CE1-CD1 4.19Å; Y435-H447 AromaticContact CE1-CD2 3.69Å; Y435-H447 AromaticContact CE1-NE2 3.77Å; Y435-H447 AromaticContact CZ-NE2 3.75Å; Y435-H447 PolarHBondContact OH-NE2 2.76Å; Y435-L476 HydrophobicContact CD1-CD2 4.31Å; Y435-L476 HydrophobicContact CD2-CD2 3.49Å; Y435-L476 VanDerWaalsContact CD2-CD2 3.49Å; Y435-L476 HydrophobicContact CE1-CD1 4.19Å; Y435-L476 HydrophobicContact CE1-CD2 4.23Å; Y435-L476 HydrophobicContact CE2-CD1 4.19Å; Y435-L476 HydrophobicContact CE2-CD2 3.35Å; Y435-L476 HydrophobicContact CE2-CG 4.43Å; Y435-L476 HydrophobicContact CG-CD2 3.97Å; Y435-H479 VanDerWaalsContact CB-CE1 3.46Å; Y435-H479 WeakPolarHBondContact CB-CE1 3.48Å; Y435-H479 WeakPolarHBondContact CB-NE2 3.3Å; Y435-I482 HydrophobicContact CD1-CD1 4.11Å; Y435-I482 HydrophobicContact CD1-CG1 4.43Å; Y435-I482 HydrophobicContact CE1-CD1 4.3Å
436	K	98.4	Very high	97.2	Very high	60 Å²	60	21.4 Å²	21.4	26%	0.261	10%	0.1	S	C	.	.	H	α-helix	trans	-60.8	-40.3	172.6	-66.9	179.7	-162.8	168.6	0	112.3	D432 E433 D439 K440	D432-K436 WeakPolarHBondContact O-CG 3.04Å; D432-K436 PolarHBondContact O-N 2.88Å; D432-K436 VanDerWaalsContact O-N 3.15Å; E433-K436 VanDerWaalsContact OE1-CD 3.29Å; E433-K436 WeakPolarHBondContact OE1-CD 3.38Å; E433-K436 WeakPolarHBondContact OE1-CE 3.07Å; E433-K436 IonicContact OE1-NZ 3.98Å; E433-K436 PolarHBondContact OE1-NZ 3.38Å; K436-D439 PolarHBondContact O-N 3.03Å; K436-K440 WeakPolarHBondContact O-CB 3.26Å; K436-K440 PolarHBondContact O-N 3.18Å
437	E	98.2	Very high	97.3	Very high	27 Å²	27	21.4 Å²	21.4	13%	0.126	10%	0.1	C	C	.	.	H	α-helix	trans	-69.5	-37.7	176	-169.2	70.1	-171.6	0	0	111	K407 L410 E433 F434 Y435 K440 L441	K407-E437 HydrophobicContact CB-CG 4.36Å; K407-E437 HydrophobicContact CG-CB 4.29Å; K407-E437 HydrophobicContact CG-CG 3.95Å; L410-E437 HydrophobicContact CD1-CB 4.01Å; L410-E437 HydrophobicContact CD1-CG 4.21Å; E433-E437 PolarHBondContact O-N 3.22Å; F434-E437 PolarHBondContact O-N 3.39Å; Y435-E437 VanDerWaalsContact C-N 3.32Å; Y435-E437 PolarHBondContact O-N 2.92Å; E437-K440 PolarHBondContact O-N 3.05Å; E437-K440 IonicContact OE1-NZ 2.99Å; E437-K440 IonicContact OE2-NZ 2.84Å; E437-K440 PolarHBondContact OE2-NZ 3.18Å; E437-L441 HydrophobicContact CG-CD1 3.85Å; E437-L441 HydrophobicContact CG-CG 4.28Å; E437-L441 WeakPolarHBondContact O-CB 3.21Å; E437-L441 VanDerWaalsContact O-CG 3.25Å; E437-L441 WeakPolarHBondContact O-CG 3.4Å; E437-L441 PolarHBondContact O-N 2.8Å
438	A	98.7	Very high	97.4	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-61.7	-44.3	173.3	0	0	0	0	0	112.2	F434 Y435 K440 L441 G442 L443 I445	F434-A438 PolarHBondContact O-N 3.07Å; Y435-A438 WeakPolarHBondContact O-CB 3.43Å; Y435-A438 PolarHBondContact O-N 3.19Å; A438-K440 VanDerWaalsContact C-N 3.33Å; A438-K440 PolarHBondContact O-N 2.98Å; A438-L441 PolarHBondContact O-N 3.32Å; A438-G442 PolarHBondContact O-N 2.76Å; A438-L443 HydrophobicContact CB-CB 4.25Å; A438-L443 PolarHBondContact O-N 3.31Å; A438-I445 HydrophobicContact CB-CD1 3.71Å; A438-I445 HydrophobicContact CB-CG1 4.32Å
439	D	98.8	Very high	97.6	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-56.7	-47.4	174.2	-67.6	-26.9	0	0	0	111.1	W309 P318 L320 Y435 K436 G442 H479 P480 S481	W309-D439 PolarHBondContact NE1-O 3.12Å; P318-D439 WeakPolarHBondContact CB-O 3.42Å; L320-D439 HydrophobicContact CD1-CB 3.99Å; L320-D439 HydrophobicContact CD2-CB 4.15Å; Y435-D439 PolarHBondContact O-N 3.24Å; K436-D439 PolarHBondContact O-N 3.03Å; D439-G442 PolarHBondContact O-N 3.06Å; D439-H479 IonicContact OD1-ND1 3.18Å; D439-H479 IonicContact OD2-CE1 3.67Å; D439-H479 IonicContact OD2-CG 3.4Å; D439-H479 IonicContact OD2-ND1 2.74Å; D439-H479 PolarHBondContact OD2-ND1 3.12Å; D439-P480 HydrophobicContact CB-CG 4.15Å; D439-P480 VanDerWaalsContact CG-CD 3.48Å; D439-P480 VanDerWaalsContact OD1-CD 3.28Å; D439-P480 WeakPolarHBondContact OD1-CD 3.43Å; D439-S481 WeakPolarHBondContact OD1-CA 3.01Å; D439-S481 WeakPolarHBondContact OD1-CB 3.25Å; D439-S481 PolarHBondContact OD1-N 3.08Å; D439-S481 PolarHBondContact OD1-OG 3Å
440	K	98.3	Very high	97.6	Very high	128 Å²	128	20.2 Å²	20.2	56%	0.557	10%	0.095	S	C	*	.	H	α-helix	trans	-66.9	-36.2	-179.9	177.6	-173.9	167.8	-160.9	0	112.8	P318 L320 K436 E437 A438 G442	P318-K440 VanDerWaalsContact CG-O 3.3Å; P318-K440 WeakPolarHBondContact CG-O 3.23Å; L320-K440 HydrophobicContact CD1-CB 4.26Å; K436-K440 WeakPolarHBondContact O-CB 3.26Å; K436-K440 PolarHBondContact O-N 3.18Å; E437-K440 PolarHBondContact O-N 3.05Å; E437-K440 IonicContact OE1-NZ 2.99Å; E437-K440 IonicContact OE2-NZ 2.84Å; E437-K440 PolarHBondContact OE2-NZ 3.18Å; A438-K440 VanDerWaalsContact C-N 3.33Å; A438-K440 PolarHBondContact O-N 2.98Å; K440-G442 VanDerWaalsContact C-N 3.31Å
441	L	97.6	Very high	97.8	Very high	26 Å²	26	19.7 Å²	19.7	14%	0.136	9%	0.093	C	C	.	.	H	α-helix	trans	-81.1	-10.8	178.4	-69.7	173.1	0	0	0	113	L410 E437 A438 L443	L410-L441 HydrophobicContact CB-CD1 3.71Å; E437-L441 HydrophobicContact CG-CD1 3.85Å; E437-L441 HydrophobicContact CG-CG 4.28Å; E437-L441 WeakPolarHBondContact O-CB 3.21Å; E437-L441 VanDerWaalsContact O-CG 3.25Å; E437-L441 WeakPolarHBondContact O-CG 3.4Å; E437-L441 PolarHBondContact O-N 2.8Å; A438-L441 PolarHBondContact O-N 3.32Å; L441-L443 VanDerWaalsContact C-N 3.31Å; L441-L443 HydrophobicContact CB-CD1 4.07Å; L441-L443 HydrophobicContact CB-CG 4.04Å; L441-L443 HydrophobicContact CD1-CD1 4.06Å
442	G	97.9	Very high	98	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.8	24.8	-176.7	0	0	0	0	0	112.7	P311 I312 A438 D439 K440	P311-G442 CarbonylContact C-O 3.58Å; P311-G442 VanDerWaalsContact CA-O 3.31Å; P311-G442 WeakPolarHBondContact CA-O 3.44Å; I312-G442 PolarHBondContact N-O 3.01Å; A438-G442 PolarHBondContact O-N 2.76Å; D439-G442 PolarHBondContact O-N 3.06Å; K440-G442 VanDerWaalsContact C-N 3.31Å
443	L	98.6	Very high	98.2	Very high	0 Å²	0	16 Å²	16	0%	0	7%	0.073	C	C	.	.			trans	-84.9	117.3	176.1	-67.2	170.9	0	0	0	108.1	I312 L410 A413 I418 I421 A438 L441 S481	I312-L443 HydrophobicContact CG2-CD2 4.45Å; L410-L443 HydrophobicContact CB-CD1 4.05Å; L410-L443 HydrophobicContact CD2-CD1 3.83Å; L410-L443 WeakPolarHBondContact O-CD1 3.27Å; A413-L443 HydrophobicContact CB-CD1 4.29Å; A413-L443 HydrophobicContact CB-CD2 4.28Å; I418-L443 VanDerWaalsContact O-CD2 3.25Å; I418-L443 WeakPolarHBondContact O-CD2 3.29Å; I421-L443 HydrophobicContact CG1-CD1 4.45Å; A438-L443 HydrophobicContact CB-CB 4.25Å; A438-L443 PolarHBondContact O-N 3.31Å; L441-L443 VanDerWaalsContact C-N 3.31Å; L441-L443 HydrophobicContact CB-CD1 4.07Å; L441-L443 HydrophobicContact CB-CG 4.04Å; L441-L443 HydrophobicContact CD1-CD1 4.06Å; L443-S481 WeakPolarHBondContact O-CB 3.28Å
444	M	98.8	Very high	98.3	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	154.9	169.3	-64.8	175	-69.7	0	0	109.8	W309 P311 I374 I376 N419 L420 I421 S481 I483	W309-M444 HydrophobicContact CH2-CG 4.09Å; W309-M444 HydrophobicContact CZ3-CG 4.33Å; P311-M444 HydrophobicContact CB-CE 3.95Å; P311-M444 HydrophobicContact CB-CG 4.01Å; P311-M444 HydrophobicContact CB-SD 4Å; P311-M444 HydrophobicContact CG-CE 4.02Å; P311-M444 HydrophobicContact CG-CG 3.74Å; P311-M444 HydrophobicContact CG-SD 3.44Å; P311-M444 WeakPolarHBondContact CG-SD 3.48Å; I374-M444 HydrophobicContact CG2-CE 3.78Å; I374-M444 HydrophobicContact CG2-SD 4.48Å; I376-M444 HydrophobicContact CD1-CE 3.29Å; I376-M444 HydrophobicContact CD1-SD 4.07Å; N419-M444 HydrophobicContact CB-CE 4.12Å; N419-M444 WeakPolarHBondContact O-CB 3.34Å; N419-M444 VanDerWaalsContact O-CE 3.26Å; N419-M444 WeakPolarHBondContact O-CE 3.3Å; N419-M444 PolarHBondContact O-N 2.82Å; L420-M444 CarbonylContact C-O 3.47Å; L420-M444 WeakPolarHBondContact CA-O 3.35Å; L420-M444 HydrophobicContact CB-CB 4.19Å; L420-M444 HydrophobicContact CB-CE 4.45Å; L420-M444 HydrophobicContact CD1-CB 4.01Å; L420-M444 HydrophobicContact CG-CB 4.18Å; I421-M444 PolarHBondContact N-O 3.44Å; M444-S481 CarbonylContact C-O 3.5Å; M444-S481 VanDerWaalsContact CA-O 3.23Å; M444-S481 WeakPolarHBondContact CA-O 3.41Å; M444-I483 HydrophobicContact CB-CD1 4.09Å; M444-I483 HydrophobicContact CB-CG1 4.28Å; M444-I483 HydrophobicContact CB-CG2 4Å; M444-I483 HydrophobicContact CG-CD1 4.44Å; M444-I483 HydrophobicContact CG-CG2 3.86Å; M444-I483 HydrophobicContact SD-CD1 3.9Å; M444-I483 HydrophobicContact SD-CG2 4.12Å
445	I	98.9	Very high	98.3	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	125.4	178	-67.7	173.4	0	0	0	109.4	I421 I423 F434 Y435 A438 H447 S481 I482 I483	I421-I445 VanDerWaalsContact O-CA 3.27Å; I421-I445 WeakPolarHBondContact O-CA 3.39Å; I423-I445 HydrophobicContact CG1-CG2 3.81Å; F434-I445 HydrophobicContact CE1-CD1 4Å; Y435-I445 HydrophobicContact CD1-CD1 3.62Å; Y435-I445 HydrophobicContact CE1-CD1 4.19Å; A438-I445 HydrophobicContact CB-CD1 3.71Å; A438-I445 HydrophobicContact CB-CG1 4.32Å; I445-H447 HydrophobicContact CG2-CB 4Å; I445-S481 PolarHBondContact N-O 3.19Å; I445-I482 HydrophobicContact CB-CG1 4.06Å; I445-I482 HydrophobicContact CD1-CG1 4.41Å; I445-I482 HydrophobicContact CG2-CG1 4.12Å; I445-I482 WeakPolarHBondContact O-CA 3.46Å; I445-I483 WeakPolarHBondContact O-CG1 3.24Å; I445-I483 PolarHBondContact O-N 2.88Å
446	W	98.9	Very high	98.2	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	124.5	157.1	176.5	-53.2	0	0	0	106.8	F365 F367 L420 I421 R422 I423 D448 V484 L548 S551 D575 F596 I712	F365-W446 HydrophobicContact CE1-CH2 4.42Å; F365-W446 HydrophobicContact CE1-CZ3 4.2Å; F365-W446 HydrophobicContact CZ-CH2 4.23Å; F365-W446 HydrophobicContact CZ-CZ3 4.36Å; F367-W446 HydrophobicContact CE2-CE3 4.45Å; F367-W446 HydrophobicContact CE2-CZ3 4.33Å; F367-W446 HydrophobicContact CZ-CE3 4.41Å; F367-W446 HydrophobicContact CZ-CZ3 4.33Å; L420-W446 HydrophobicContact CD1-CB 4.38Å; L420-W446 HydrophobicContact CD2-CB 4.01Å; I421-W446 PolarHBondContact O-N 3.06Å; R422-W446 CarbonylContact C-O 3.52Å; R422-W446 VanDerWaalsContact CA-O 3.27Å; R422-W446 WeakPolarHBondContact CA-O 3.11Å; R422-W446 HydrophobicContact CB-CB 4Å; R422-W446 HydrophobicContact CB-CG 4.29Å; R422-W446 HydrophobicContact CG-CB 4.1Å; R422-W446 HydrophobicContact CG-CG 3.89Å; I423-W446 PolarHBondContact N-O 2.73Å; W446-D448 VanDerWaalsContact CD1-OD1 3.23Å; W446-D448 PolarHBondContact NE1-OD1 2.7Å; W446-V484 HydrophobicContact CB-CG1 3.73Å; W446-V484 HydrophobicContact CD2-CG1 3.55Å; W446-V484 HydrophobicContact CE3-CG1 3.63Å; W446-V484 HydrophobicContact CG-CG1 3.6Å; W446-V484 HydrophobicContact CZ3-CG1 4.47Å; W446-L548 HydrophobicContact CH2-CD1 3.25Å; W446-L548 HydrophobicContact CZ2-CD1 3.29Å; W446-L548 HydrophobicContact CZ3-CD1 4.04Å; W446-S551 WeakPolarHBondContact CZ2-OG 3.27Å; W446-D575 HydrophobicContact CH2-CB 4.04Å; W446-F596 HydrophobicContact CE3-CE1 4.26Å; W446-F596 HydrophobicContact CE3-CZ 4.26Å; W446-F596 HydrophobicContact CZ3-CD1 4.26Å; W446-F596 AromaticContact CZ3-CE1 3.73Å; W446-F596 HydrophobicContact CZ3-CE1 3.73Å; W446-F596 AromaticContact CZ3-CZ 3.96Å; W446-F596 HydrophobicContact CZ3-CZ 3.96Å; W446-I712 HydrophobicContact CE3-CD1 4.18Å
447	H	98.8	Very high	98	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	107.2	-171.9	-160.5	-56.3	0	0	0	111.1	Y429 Y435 I445 M449 I482 V484 W485 S486	Y429-H447 AromaticContact CD1-CE1 3.47Å; Y429-H447 VanDerWaalsContact CD1-CE1 3.47Å; Y429-H447 WeakPolarHBondContact CD1-CE1 3.15Å; Y429-H447 AromaticContact CE1-CE1 3.77Å; Y435-H447 AromaticContact CE1-CD2 3.69Å; Y435-H447 AromaticContact CE1-NE2 3.77Å; Y435-H447 AromaticContact CZ-NE2 3.75Å; Y435-H447 PolarHBondContact OH-NE2 2.76Å; I445-H447 HydrophobicContact CG2-CB 4Å; H447-M449 WeakPolarHBondContact ND1-CE 3.49Å; H447-I482 HydrophobicContact CB-CG2 4.22Å; H447-V484 PolarHBondContact N-O 3.47Å; H447-W485 HydrophobicContact CB-CE3 3.59Å; H447-W485 HydrophobicContact CB-CZ3 3.65Å; H447-W485 AromaticContact CG-CE3 3.94Å; H447-W485 AromaticContact CG-CZ3 3.6Å; H447-W485 CarbonylContact O-C 3.49Å; H447-W485 WeakPolarHBondContact O-CA 3.27Å; H447-S486 PolarHBondContact O-N 3.05Å
448	D	98.8	Very high	97.8	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	139.9	169	-57.2	-19.9	0	0	0	109.6	R422 I423 G425 W446 M450 S486	R422-D448 IonicContact CZ-OD1 3.64Å; R422-D448 IonicContact CZ-OD2 3.48Å; R422-D448 IonicContact NE-OD1 3.48Å; R422-D448 PolarHBondContact NE-OD1 2.9Å; R422-D448 IonicContact NE-OD2 2.9Å; R422-D448 PolarHBondContact NE-OD2 3.21Å; R422-D448 IonicContact NH2-OD1 3.3Å; R422-D448 PolarHBondContact NH2-OD1 2.94Å; R422-D448 IonicContact NH2-OD2 3.74Å; R422-D448 PolarHBondContact NH2-OD2 3.22Å; I423-D448 VanDerWaalsContact O-CB 3.3Å; I423-D448 WeakPolarHBondContact O-CB 3.46Å; I423-D448 PolarHBondContact O-N 2.86Å; G425-D448 PolarHBondContact N-OD2 2.8Å; G425-D448 VanDerWaalsContact N-OD2 3.12Å; W446-D448 VanDerWaalsContact CD1-OD1 3.23Å; W446-D448 PolarHBondContact NE1-OD1 2.7Å; D448-M450 WeakPolarHBondContact O-CE 3.45Å; D448-S486 CarbonylContact C-O 3.5Å; D448-S486 WeakPolarHBondContact CA-O 3.4Å; D448-S486 WeakPolarHBondContact OD1-CB 3.2Å
449	M	98.7	Very high	97.4	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.085	C	C	.	.			trans	-68.2	160.1	162.5	-56.6	-59.2	98.7	0	0	109.6	G425 Y429 H447 F451 I469 I473 W485 S486 I520 I524	G425-M449 VanDerWaalsContact CA-O 3.31Å; G425-M449 WeakPolarHBondContact CA-O 3.3Å; Y429-M449 HydrophobicContact CE1-CE 4.28Å; Y429-M449 HydrophobicContact CE1-SD 3.97Å; H447-M449 WeakPolarHBondContact ND1-CE 3.49Å; M449-F451 HydrophobicContact CB-CD2 3.98Å; M449-F451 HydrophobicContact CB-CE2 4.29Å; M449-F451 PolarHBondContact O-N 3.42Å; M449-I469 HydrophobicContact CB-CD1 3.98Å; M449-I469 HydrophobicContact CG-CD1 3.77Å; M449-I469 HydrophobicContact SD-CD1 3.77Å; M449-I473 HydrophobicContact CE-CD1 4.09Å; M449-I473 HydrophobicContact SD-CD1 4.2Å; M449-W485 HydrophobicContact CE-CD2 4.48Å; M449-W485 HydrophobicContact CE-CE3 3.5Å; M449-W485 HydrophobicContact CE-CZ3 3.96Å; M449-S486 PolarHBondContact N-O 3.07Å; M449-I520 HydrophobicContact CG-CG2 4.13Å; M449-I524 HydrophobicContact CG-CD1 3.72Å; M449-I524 HydrophobicContact SD-CD1 4.11Å
450	M	98.2	Very high	96.8	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.103	C	C	.	.	S	Bend	trans	-78	65	-167.1	-55.2	-56	136.5	0	0	113.5	F134 R198 I423 G425 G427 R428 Y429 D448	F134-M450 HydrophobicContact CD1-CG 4.43Å; F134-M450 HydrophobicContact CD2-CB 4.39Å; F134-M450 HydrophobicContact CE1-CB 4.33Å; F134-M450 HydrophobicContact CE1-CG 3.96Å; F134-M450 HydrophobicContact CE2-CB 3.69Å; F134-M450 HydrophobicContact CE2-CG 4.16Å; F134-M450 HydrophobicContact CZ-CB 3.63Å; F134-M450 HydrophobicContact CZ-CG 3.77Å; R198-M450 PolarHBondContact NH1-O 3.48Å; R198-M450 PolarHBondContact NH2-O 3.39Å; I423-M450 HydrophobicContact CG2-CE 4.24Å; G425-M450 CarbonylContact O-C 3.6Å; G425-M450 WeakPolarHBondContact O-CA 3.4Å; G427-M450 VanDerWaalsContact C-SD 3.56Å; R428-M450 VanDerWaalsContact C-CE 3.47Å; R428-M450 WeakPolarHBondContact CA-SD 3.27Å; R428-M450 PolarHBondContact N-SD 2.85Å; R428-M450 VanDerWaalsContact N-SD 3.43Å; Y429-M450 HydrophobicContact CD1-CE 3.6Å; Y429-M450 HydrophobicContact CD2-CE 4.15Å; Y429-M450 HydrophobicContact CD2-CG 3.63Å; Y429-M450 HydrophobicContact CE1-CE 3.67Å; Y429-M450 HydrophobicContact CE1-CG 4.24Å; Y429-M450 HydrophobicContact CE2-CB 4.15Å; Y429-M450 HydrophobicContact CE2-CE 4.24Å; Y429-M450 HydrophobicContact CE2-CG 3.24Å; Y429-M450 HydrophobicContact CG-CE 3.82Å; Y429-M450 HydrophobicContact CG-CG 4.27Å; D448-M450 WeakPolarHBondContact O-CE 3.45Å
451	F	98.5	Very high	95.9	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.009	12%	0.12	C	C	.	.			trans	-139.2	125.3	177.6	-60.9	-92.1	0	0	0	109.1	R198 G425 M449 Y456 V465 I469 D488 N489 V491 F516 I520	R198-F451 VanDerWaalsContact CZ-CE1 3.43Å; R198-F451 VanDerWaalsContact NH2-CE2 3.34Å; G425-F451 PolarHBondContact O-N 2.95Å; M449-F451 HydrophobicContact CB-CD2 3.98Å; M449-F451 HydrophobicContact CB-CE2 4.29Å; M449-F451 PolarHBondContact O-N 3.42Å; F451-Y456 WeakPolarHBondContact CA-OH 3.4Å; F451-Y456 HydrophobicContact CB-CD2 4.34Å; F451-Y456 HydrophobicContact CB-CE2 3.76Å; F451-Y456 AromaticContact CD1-CD1 3.62Å; F451-Y456 HydrophobicContact CD1-CD1 3.62Å; F451-Y456 AromaticContact CD1-CD2 3.67Å; F451-Y456 HydrophobicContact CD1-CD2 3.67Å; F451-Y456 AromaticContact CD1-CE1 3.67Å; F451-Y456 HydrophobicContact CD1-CE1 3.67Å; F451-Y456 AromaticContact CD1-CE2 3.71Å; F451-Y456 HydrophobicContact CD1-CE2 3.71Å; F451-Y456 AromaticContact CD1-CG 3.61Å; F451-Y456 HydrophobicContact CD1-CG 3.61Å; F451-Y456 AromaticContact CD1-CZ 3.72Å; F451-Y456 AromaticContact CE1-CD1 3.93Å; F451-Y456 HydrophobicContact CE1-CD1 3.93Å; F451-Y456 HydrophobicContact CE1-CE1 4.27Å; F451-Y456 HydrophobicContact CE1-CG 4.08Å; F451-Y456 HydrophobicContact CG-CD2 4.5Å; F451-Y456 HydrophobicContact CG-CE2 4.24Å; F451-V465 HydrophobicContact CE2-CG1 4.42Å; F451-V465 HydrophobicContact CZ-CG1 3.73Å; F451-V465 HydrophobicContact CZ-CG2 4.45Å; F451-I469 HydrophobicContact CE2-CD1 4.43Å; F451-D488 HydrophobicContact CB-CB 3.91Å; F451-N489 PolarHBondContact O-N 3.31Å; F451-V491 HydrophobicContact CB-CG2 4.43Å; F451-F516 HydrophobicContact CB-CE1 3.76Å; F451-F516 HydrophobicContact CB-CZ 4.11Å; F451-F516 AromaticContact CD1-CE1 3.77Å; F451-F516 HydrophobicContact CD1-CE1 3.77Å; F451-F516 AromaticContact CD1-CZ 3.75Å; F451-F516 HydrophobicContact CD1-CZ 3.75Å; F451-F516 HydrophobicContact CD2-CE1 4.08Å; F451-F516 HydrophobicContact CE1-CE1 4.36Å; F451-F516 HydrophobicContact CE1-CZ 4.38Å; F451-F516 AromaticContact CG-CE1 3.61Å; F451-F516 HydrophobicContact CG-CE1 3.61Å; F451-F516 HydrophobicContact CG-CZ 4.02Å; F451-I520 HydrophobicContact CD2-CD1 4.08Å; F451-I520 HydrophobicContact CE1-CD1 4.22Å; F451-I520 HydrophobicContact CE2-CD1 3.5Å; F451-I520 HydrophobicContact CZ-CD1 3.59Å
452	A	98	Very high	95.2	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	15%	0.151	C	C	.	.	B	Isolated β-bridge	trans	-149.7	135.5	179.3	0	0	0	0	0	113.6	W206 W424 G426 A454 Y456 N489	W206-A452 HydrophobicContact CH2-CB 4Å; W206-A452 HydrophobicContact CZ2-CB 4.35Å; W424-A452 HydrophobicContact CZ2-CB 4.26Å; G426-A452 VanDerWaalsContact N-CB 3.26Å; A452-A454 PolarHBondContact O-N 3.43Å; A452-Y456 PolarHBondContact N-OH 3.23Å; A452-N489 CarbonylContact C-O 3.55Å; A452-N489 WeakPolarHBondContact CA-O 3.27Å; A452-N489 HydrophobicContact CB-CB 3.92Å
453	V	97.1	Very high	94.9	Very high	17 Å²	17	34.4 Å²	34.4	10%	0.103	16%	0.161	C	C	.	.	S	Bend	trans	64.4	-43.8	166.7	169.8	0	0	0	0	115.3	W184 W206 N489 E490 A494 W499 Y500	W184-V453 HydrophobicContact CH2-CB 4.46Å; W184-V453 HydrophobicContact CH2-CG1 4.2Å; W184-V453 HydrophobicContact CZ3-CG1 3.9Å; W206-V453 HydrophobicContact CH2-CB 3.95Å; W206-V453 HydrophobicContact CH2-CG2 4.19Å; W206-V453 HydrophobicContact CZ2-CB 3.88Å; W206-V453 HydrophobicContact CZ2-CG2 3.64Å; V453-N489 PolarHBondContact N-O 3.19Å; V453-E490 HydrophobicContact CG2-CB 4.15Å; V453-E490 WeakPolarHBondContact CG2-OE2 3.16Å; V453-A494 VanDerWaalsContact O-CB 3.27Å; V453-A494 WeakPolarHBondContact O-CB 3.18Å; V453-W499 HydrophobicContact CB-CZ3 4.49Å; V453-W499 HydrophobicContact CG1-CE3 4.28Å; V453-W499 HydrophobicContact CG1-CZ3 3.93Å; V453-W499 HydrophobicContact CG2-CZ3 4.32Å; V453-Y500 VanDerWaalsContact CG1-OH 3.24Å; V453-Y500 WeakPolarHBondContact CG1-OH 3.23Å; V453-Y500 WeakPolarHBondContact O-CE2 3.37Å; V453-Y500 PolarHBondContact O-OH 2.6Å; V453-Y500 VanDerWaalsContact O-OH 3.09Å
454	A	96.9	Very high	94.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.167	C	C	.	.	S	Bend	trans	-76.1	157.3	176	0	0	0	0	0	112	W184 N195 A452 Y456 V491	W184-A454 HydrophobicContact CH2-CB 4.05Å; N195-A454 HydrophobicContact CB-CB 3.9Å; A452-A454 PolarHBondContact O-N 3.43Å; A454-Y456 HydrophobicContact CB-CE2 4.34Å; A454-Y456 VanDerWaalsContact O-CD2 3.25Å; A454-Y456 WeakPolarHBondContact O-CD2 3.36Å; A454-Y456 WeakPolarHBondContact O-CE2 3.16Å; A454-V491 WeakPolarHBondContact O-CG1 3.37Å; A454-V491 WeakPolarHBondContact O-CG2 3.39Å
455	T	97.3	Very high	94.7	Very high	6 Å²	6	35.8 Å²	35.8	4%	0.037	17%	0.169	C	C	.	.			trans	-81	158.8	161.2	69.9	0	0	0	0	110.1	P179 P180 N195 I495 Y500 L508	P179-T455 WeakPolarHBondContact CA-OG1 3.45Å; P179-T455 WeakPolarHBondContact CB-O 3.49Å; P179-T455 VanDerWaalsContact CB-OG1 3.29Å; P179-T455 WeakPolarHBondContact CB-OG1 3.13Å; P180-T455 WeakPolarHBondContact CD-OG1 3.13Å; P180-T455 HydrophobicContact CG-CG2 4.15Å; P180-T455 WeakPolarHBondContact CG-OG1 3.46Å; P180-T455 VanDerWaalsContact N-OG1 3.07Å; P180-T455 WeakPolarHBondContact O-CB 3.2Å; P180-T455 PolarHBondContact O-N 3.11Å; P180-T455 PolarHBondContact O-OG1 3.5Å; N195-T455 VanDerWaalsContact CB-O 3.29Å; N195-T455 WeakPolarHBondContact CB-O 3.36Å; N195-T455 PolarHBondContact ND2-O 2.98Å; T455-I495 HydrophobicContact CG2-CD1 4.05Å; T455-I495 HydrophobicContact CG2-CG1 3.74Å; T455-Y500 HydrophobicContact CG2-CD2 4.31Å; T455-L508 HydrophobicContact CG2-CD1 4.39Å; T455-L508 HydrophobicContact CG2-CD2 4.36Å
456	Y	97.1	Very high	94.6	Very high	5 Å²	5	37.5 Å²	37.5	2%	0.02	18%	0.177	C	C	.	.			trans	-127.1	159.6	-174.3	-70.7	-89.4	0	0	0	111.5	N195 Q201 F451 A452 A454 V491 I511 F516	N195-Y456 HydrophobicContact CB-CD1 4.02Å; N195-Y456 HydrophobicContact CB-CE1 3.93Å; N195-Y456 WeakPolarHBondContact O-CD1 3.31Å; Q201-Y456 PolarHBondContact OE1-OH 2.9Å; Q201-Y456 VanDerWaalsContact OE1-OH 3.12Å; F451-Y456 WeakPolarHBondContact CA-OH 3.4Å; F451-Y456 HydrophobicContact CB-CD2 4.34Å; F451-Y456 HydrophobicContact CB-CE2 3.76Å; F451-Y456 AromaticContact CD1-CD1 3.62Å; F451-Y456 HydrophobicContact CD1-CD1 3.62Å; F451-Y456 AromaticContact CD1-CD2 3.67Å; F451-Y456 HydrophobicContact CD1-CD2 3.67Å; F451-Y456 AromaticContact CD1-CE1 3.67Å; F451-Y456 HydrophobicContact CD1-CE1 3.67Å; F451-Y456 AromaticContact CD1-CE2 3.71Å; F451-Y456 HydrophobicContact CD1-CE2 3.71Å; F451-Y456 AromaticContact CD1-CG 3.61Å; F451-Y456 HydrophobicContact CD1-CG 3.61Å; F451-Y456 AromaticContact CD1-CZ 3.72Å; F451-Y456 AromaticContact CE1-CD1 3.93Å; F451-Y456 HydrophobicContact CE1-CD1 3.93Å; F451-Y456 HydrophobicContact CE1-CE1 4.27Å; F451-Y456 HydrophobicContact CE1-CG 4.08Å; F451-Y456 HydrophobicContact CG-CD2 4.5Å; F451-Y456 HydrophobicContact CG-CE2 4.24Å; A452-Y456 PolarHBondContact N-OH 3.23Å; A454-Y456 HydrophobicContact CB-CE2 4.34Å; A454-Y456 VanDerWaalsContact O-CD2 3.25Å; A454-Y456 WeakPolarHBondContact O-CD2 3.36Å; A454-Y456 WeakPolarHBondContact O-CE2 3.16Å; Y456-V491 HydrophobicContact CD2-CG1 4.41Å; Y456-V491 HydrophobicContact CD2-CG2 4.26Å; Y456-V491 HydrophobicContact CE2-CG2 3.93Å; Y456-I511 VanDerWaalsContact O-CG2 3.24Å; Y456-I511 WeakPolarHBondContact O-CG2 3.4Å; Y456-F516 HydrophobicContact CD2-CE2 4.33Å; Y456-F516 AromaticContact CD2-CZ 3.7Å; Y456-F516 HydrophobicContact CD2-CZ 3.7Å; Y456-F516 HydrophobicContact CE2-CZ 4.45Å; Y456-F516 HydrophobicContact CG-CZ 4.23Å
457	P	95.2	Very high	94.5	Very high	29 Å²	29	42.6 Å²	42.6	19%	0.188	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-57.1	147.2	174.7	-24.6	34.2	0	0	0	112.6	P179 N195 L196 R515	P179-P457 HydrophobicContact CG-CB 4.45Å; P179-P457 HydrophobicContact CG-CG 3.89Å; N195-P457 VanDerWaalsContact O-CD 3.25Å; N195-P457 WeakPolarHBondContact O-CD 3.26Å; L196-P457 HydrophobicContact CD2-CG 3.65Å; P457-R515 PolarHBondContact O-NE 2.96Å; P457-R515 PolarHBondContact O-NH2 3.43Å
458	D	93.3	Very high	94.4	Very high	70 Å²	70	42.6 Å²	42.6	37%	0.374	20%	0.201	S	C	.	.	P	Polyproline II helix	trans	-54.7	156.7	169.5	-163.7	1.1	0	0	0	111.4	E460 I511 S514 R515	D458-E460 PolarHBondContact O-N 2.73Å; D458-I511 HydrophobicContact CB-CG1 4.36Å; D458-I511 HydrophobicContact CB-CG2 4.14Å; D458-S514 WeakPolarHBondContact OD1-CB 3.21Å; D458-S514 PolarHBondContact OD1-OG 2.54Å; D458-R515 PolarHBondContact O-NH2 3.28Å
459	K	89.3	Confident	94.4	Very high	85 Å²	85	42.6 Å²	42.6	37%	0.37	20%	0.201	S	C	.	.	P	Polyproline II helix	trans	-55.7	120.7	172.7	-176.8	-171.8	179.5	141.6	0	109.8	E466 S514	K459-E466 WeakPolarHBondContact CE-OE1 3.34Å; K459-E466 IonicContact NZ-OE1 3.7Å; K459-E466 PolarHBondContact NZ-OE1 3.1Å; K459-S514 WeakPolarHBondContact CB-OG 3.38Å
460	E	87.3	Confident	94.3	Very high	79 Å²	79	47 Å²	47	37%	0.369	22%	0.218	S	C	.	.			trans	-112.4	144.3	174.8	-60.3	-164.1	153.9	0	0	110.1	K176 D458 N462 D463	K176-E460 IonicContact NZ-OE1 2.81Å; K176-E460 PolarHBondContact NZ-OE1 2.87Å; D458-E460 PolarHBondContact O-N 2.73Å; E460-N462 PolarHBondContact O-N 2.9Å; E460-D463 HydrophobicContact CB-CB 4.33Å; E460-D463 PolarHBondContact N-OD2 2.68Å; E460-D463 PolarHBondContact O-N 3.21Å
461	R	80	Confident	94.2	Very high	243 Å²	243	48.4 Å²	48.4	92%	0.917	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-30.9	-173.6	-175.8	178	176.5	174	-0	114.3
462	N	82.2	Confident	94.2	Very high	145 Å²	145	48.5 Å²	48.5	78%	0.775	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-118.6	21.5	-173.7	-62.3	-13.2	0	0	0	112.2	E460	E460-N462 PolarHBondContact O-N 2.9Å
463	D	91.2	Very high	94.2	Very high	41 Å²	41	48.5 Å²	48.5	22%	0.219	22%	0.224	C	C	.	.			trans	-79.7	160	171.7	76.3	55.1	0	0	0	112.1	E460 V465 R515	E460-D463 HydrophobicContact CB-CB 4.33Å; E460-D463 PolarHBondContact N-OD2 2.68Å; E460-D463 PolarHBondContact O-N 3.21Å; D463-V465 WeakPolarHBondContact OD1-CB 3.38Å; D463-V465 PolarHBondContact OD1-N 2.94Å; D463-R515 IonicContact OD1-NH1 3.72Å; D463-R515 PolarHBondContact OD1-NH1 2.97Å; D463-R515 IonicContact OD2-CZ 2.71Å; D463-R515 IonicContact OD2-NH1 2.65Å; D463-R515 PolarHBondContact OD2-NH1 3.01Å; D463-R515 IonicContact OD2-NH2 3.45Å; D463-R515 PolarHBondContact OD2-NH2 3.23Å
464	T	95.6	Very high	94.2	Very high	22 Å²	22	48.7 Å²	48.7	14%	0.135	23%	0.226	C	C	.	.	S	Bend	trans	-96.9	9.6	-175.9	45.2	0	0	0	0	113.4	E131 L135 E467 E468	E131-T464 HydrophobicContact CG-CG2 4.49Å; E131-T464 WeakPolarHBondContact OE1-CG2 3.31Å; E131-T464 PolarHBondContact OE1-OG1 3.27Å; E131-T464 VanDerWaalsContact OE1-OG1 3.11Å; L135-T464 HydrophobicContact CD1-CG2 4.11Å; T464-E467 PolarHBondContact O-N 2.75Å; T464-E468 WeakPolarHBondContact O-CB 3.5Å; T464-E468 PolarHBondContact O-N 2.96Å
465	V	97.7	Very high	94.2	Very high	7 Å²	7	49.4 Å²	49.4	4%	0.042	23%	0.229	C	C	.	.	H	α-helix	trans	-70.2	-47.7	-176.2	172.1	0	0	0	0	110.6	R198 F451 D463 E467 E468 I469 R515 I520	R198-V465 HydrophobicContact CG-CG2 4.49Å; F451-V465 HydrophobicContact CE2-CG1 4.42Å; F451-V465 HydrophobicContact CZ-CG1 3.73Å; F451-V465 HydrophobicContact CZ-CG2 4.45Å; D463-V465 WeakPolarHBondContact OD1-CB 3.38Å; D463-V465 PolarHBondContact OD1-N 2.94Å; V465-E467 PolarHBondContact O-N 3.37Å; V465-E468 WeakPolarHBondContact O-CB 2.95Å; V465-E468 PolarHBondContact O-N 3.23Å; V465-E468 VanDerWaalsContact O-N 3.14Å; V465-I469 HydrophobicContact CG1-CG1 4.32Å; V465-I469 WeakPolarHBondContact O-CG1 3.32Å; V465-I469 PolarHBondContact O-N 3.39Å; V465-R515 VanDerWaalsContact CB-NH1 3.33Å; V465-I520 HydrophobicContact CG1-CD1 4.1Å; V465-I520 HydrophobicContact CG1-CG1 3.92Å
466	E	96.6	Very high	94.2	Very high	36 Å²	36	49.1 Å²	49.1	17%	0.168	23%	0.227	C	C	.	.	H	α-helix	trans	-64	-33.3	179.1	-66.2	-166.2	177.9	0	0	112.1	K459 I469 R470 S519 V523	K459-E466 WeakPolarHBondContact CE-OE1 3.34Å; K459-E466 IonicContact NZ-OE1 3.7Å; K459-E466 PolarHBondContact NZ-OE1 3.1Å; E466-I469 PolarHBondContact O-N 3.16Å; E466-R470 WeakPolarHBondContact O-CB 3.45Å; E466-R470 VanDerWaalsContact O-CG 3.29Å; E466-R470 WeakPolarHBondContact O-CG 3.36Å; E466-R470 PolarHBondContact O-N 2.89Å; E466-R470 IonicContact OE2-CZ 3.87Å; E466-R470 IonicContact OE2-NH1 3.07Å; E466-R470 PolarHBondContact OE2-NH1 3.44Å; E466-R470 IonicContact OE2-NH2 2.83Å; E466-R470 PolarHBondContact OE2-NH2 3.44Å; E466-S519 WeakPolarHBondContact CG-OG 3.4Å; E466-S519 WeakPolarHBondContact OE1-CB 3.44Å; E466-S519 PolarHBondContact OE1-OG 3.21Å; E466-V523 HydrophobicContact CB-CG2 4.04Å; E466-V523 HydrophobicContact CG-CG2 3.85Å
467	E	96.3	Very high	94.3	Very high	107 Å²	107	48.9 Å²	48.9	50%	0.5	23%	0.226	S	C	.	.	H	α-helix	trans	-64.3	-44.7	173.3	-169.7	-178.5	172.7	0	0	111.4	L135 T464 V465 I469 R470 R471	L135-E467 HydrophobicContact CD1-CG 4.31Å; L135-E467 HydrophobicContact CD2-CB 4.31Å; L135-E467 HydrophobicContact CD2-CG 3.87Å; T464-E467 PolarHBondContact O-N 2.75Å; V465-E467 PolarHBondContact O-N 3.37Å; E467-I469 PolarHBondContact O-N 3.48Å; E467-R470 PolarHBondContact O-N 3.16Å; E467-R471 WeakPolarHBondContact O-CB 3.25Å; E467-R471 PolarHBondContact O-N 3.06Å
468	E	97.8	Very high	94.4	Very high	0 Å²	0	48 Å²	48	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-54.8	-52.4	173	167.2	-171.6	155.6	0	0	110.5	N132 F134 L135 R198 Y429 T464 V465 R470 R471 Q472	N132-E468 PolarHBondContact ND2-OE2 2.86Å; N132-E468 PolarHBondContact OD1-OE2 3.2Å; F134-E468 HydrophobicContact CB-CG 3.68Å; F134-E468 HydrophobicContact CD2-CG 4.45Å; F134-E468 WeakPolarHBondContact CD2-OE1 3.43Å; F134-E468 HydrophobicContact CG-CG 4.47Å; L135-E468 HydrophobicContact CD2-CB 4.25Å; R198-E468 IonicContact CZ-OE2 3.79Å; R198-E468 IonicContact NE-OE2 3.41Å; R198-E468 PolarHBondContact NE-OE2 3.37Å; R198-E468 IonicContact NH2-OE1 2.81Å; R198-E468 PolarHBondContact NH2-OE1 3.1Å; R198-E468 VanDerWaalsContact NH2-OE1 3.1Å; R198-E468 IonicContact NH2-OE2 2.86Å; R198-E468 PolarHBondContact NH2-OE2 2.94Å; Y429-E468 HydrophobicContact CE2-CG 4.13Å; Y429-E468 WeakPolarHBondContact CE2-OE1 3.48Å; Y429-E468 PolarHBondContact OH-OE1 3.43Å; T464-E468 WeakPolarHBondContact O-CB 3.5Å; T464-E468 PolarHBondContact O-N 2.96Å; V465-E468 WeakPolarHBondContact O-CB 2.95Å; V465-E468 PolarHBondContact O-N 3.23Å; V465-E468 VanDerWaalsContact O-N 3.14Å; E468-R470 PolarHBondContact O-N 3.08Å; E468-R471 PolarHBondContact O-N 3.4Å; E468-Q472 WeakPolarHBondContact O-CB 3.28Å; E468-Q472 WeakPolarHBondContact O-CG 3.5Å; E468-Q472 PolarHBondContact O-N 3.35Å
469	I	98.2	Very high	94.6	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-63	-45.2	-178.8	-58	-50.4	0	0	0	111	M449 F451 V465 E466 E467 R471 Q472 I473 I520 V523 I524	M449-I469 HydrophobicContact CB-CD1 3.98Å; M449-I469 HydrophobicContact CG-CD1 3.77Å; M449-I469 HydrophobicContact SD-CD1 3.77Å; F451-I469 HydrophobicContact CE2-CD1 4.43Å; V465-I469 HydrophobicContact CG1-CG1 4.32Å; V465-I469 WeakPolarHBondContact O-CG1 3.32Å; V465-I469 PolarHBondContact O-N 3.39Å; E466-I469 PolarHBondContact O-N 3.16Å; E467-I469 PolarHBondContact O-N 3.48Å; I469-R471 PolarHBondContact O-N 3.35Å; I469-Q472 PolarHBondContact O-N 3.22Å; I469-I473 HydrophobicContact CG2-CG1 4.11Å; I469-I473 WeakPolarHBondContact O-CG1 3.1Å; I469-I473 PolarHBondContact O-N 3.19Å; I469-I520 HydrophobicContact CD1-CG2 4.11Å; I469-I520 HydrophobicContact CG1-CG1 4.15Å; I469-I520 HydrophobicContact CG1-CG2 4.02Å; I469-I520 HydrophobicContact CG2-CG2 4.42Å; I469-V523 HydrophobicContact CB-CG1 3.89Å; I469-V523 HydrophobicContact CG2-CB 4.1Å; I469-V523 HydrophobicContact CG2-CG1 3.63Å; I469-I524 HydrophobicContact CG2-CD1 4.28Å; I469-I524 HydrophobicContact CG2-CG1 3.46Å; I469-I524 VanDerWaalsContact CG2-CG1 3.46Å
470	R	97.2	Very high	95.1	Very high	94 Å²	94	40.8 Å²	40.8	36%	0.355	19%	0.185	S	C	.	.	H	α-helix	trans	-58.3	-48.1	178.8	-73.9	-172.8	-169.4	94.2	7	112.2	E466 E467 E468 Q472 S474 V523 E527	E466-R470 WeakPolarHBondContact O-CB 3.45Å; E466-R470 VanDerWaalsContact O-CG 3.29Å; E466-R470 WeakPolarHBondContact O-CG 3.36Å; E466-R470 PolarHBondContact O-N 2.89Å; E466-R470 IonicContact OE2-CZ 3.87Å; E466-R470 IonicContact OE2-NH1 3.07Å; E466-R470 PolarHBondContact OE2-NH1 3.44Å; E466-R470 IonicContact OE2-NH2 2.83Å; E466-R470 PolarHBondContact OE2-NH2 3.44Å; E467-R470 PolarHBondContact O-N 3.16Å; E468-R470 PolarHBondContact O-N 3.08Å; R470-Q472 PolarHBondContact O-N 3.1Å; R470-S474 WeakPolarHBondContact O-CB 3.07Å; R470-S474 PolarHBondContact O-N 2.88Å; R470-V523 HydrophobicContact CB-CG1 4.36Å; R470-V523 HydrophobicContact CG-CG1 3.35Å; R470-E527 HydrophobicContact CB-CG 4.25Å; R470-E527 HydrophobicContact CG-CG 3.9Å; R470-E527 WeakPolarHBondContact CG-OE1 3.23Å
471	R	96.6	Very high	95.6	Very high	28 Å²	28	37 Å²	37	11%	0.106	17%	0.167	C	C	.	.	H	α-helix	trans	-56.6	-53.4	177.1	179.7	-170.3	176.2	-138.3	-6.5	110.7	D112 F134 L135 S136 E234 E467 E468 I469 S474 R475	D112-R471 IonicContact OD1-CZ 2.86Å; D112-R471 VanDerWaalsContact OD1-CZ 3.31Å; D112-R471 IonicContact OD1-NH1 3.83Å; D112-R471 PolarHBondContact OD1-NH1 3.37Å; D112-R471 IonicContact OD1-NH2 3.71Å; D112-R471 PolarHBondContact OD1-NH2 2.91Å; D112-R471 IonicContact OD2-NH2 4Å; D112-R471 PolarHBondContact OD2-NH2 3.32Å; D112-R471 VanDerWaalsContact OD2-NH2 3.15Å; F134-R471 PolarHBondContact O-NH1 3.33Å; L135-R471 HydrophobicContact CD2-CB 4.49Å; S136-R471 VanDerWaalsContact N-CZ 3.28Å; S136-R471 VanDerWaalsContact N-NH1 3.11Å; S136-R471 PolarHBondContact OG-NE 3.16Å; E234-R471 IonicContact OE1-NH2 2.72Å; E234-R471 IonicContact OE2-CZ 2.9Å; E234-R471 IonicContact OE2-NE 3.65Å; E234-R471 PolarHBondContact OE2-NE 3.26Å; E234-R471 IonicContact OE2-NH2 3.67Å; E234-R471 PolarHBondContact OE2-NH2 3.1Å; E467-R471 WeakPolarHBondContact O-CB 3.25Å; E467-R471 PolarHBondContact O-N 3.06Å; E468-R471 PolarHBondContact O-N 3.4Å; I469-R471 PolarHBondContact O-N 3.35Å; R471-S474 PolarHBondContact O-N 2.9Å; R471-R475 VanDerWaalsContact O-CB 3.26Å; R471-R475 WeakPolarHBondContact O-CB 3.19Å; R471-R475 PolarHBondContact O-N 3.44Å
472	Q	98.1	Very high	96.5	Very high	4 Å²	4	25.5 Å²	25.5	2%	0.019	12%	0.123	C	C	.	.	H	α-helix	trans	-67.9	-42.4	-170.4	-65.5	-65.9	-11.8	0	0	112	F134 Y429 E468 I469 R470 L476	F134-Q472 PolarHBondContact O-NE2 3.26Å; Y429-Q472 HydrophobicContact CD1-CB 3.86Å; Y429-Q472 HydrophobicContact CD1-CG 3.76Å; Y429-Q472 HydrophobicContact CD2-CG 3.78Å; Y429-Q472 HydrophobicContact CE1-CB 3.66Å; Y429-Q472 HydrophobicContact CE1-CG 3.69Å; Y429-Q472 HydrophobicContact CE2-CG 3.69Å; Y429-Q472 HydrophobicContact CG-CB 4.44Å; Y429-Q472 VanDerWaalsContact CG-CD 3.43Å; Y429-Q472 HydrophobicContact CG-CG 3.83Å; E468-Q472 WeakPolarHBondContact O-CB 3.28Å; E468-Q472 WeakPolarHBondContact O-CG 3.5Å; E468-Q472 PolarHBondContact O-N 3.35Å; I469-Q472 PolarHBondContact O-N 3.22Å; R470-Q472 PolarHBondContact O-N 3.1Å; Q472-L476 VanDerWaalsContact O-CB 3.26Å; Q472-L476 WeakPolarHBondContact O-CB 3.49Å; Q472-L476 VanDerWaalsContact O-CG 3.24Å; Q472-L476 WeakPolarHBondContact O-CG 3.17Å; Q472-L476 PolarHBondContact O-N 2.93Å
473	I	97.8	Very high	97.3	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-64.5	-47.1	174.9	-59	-59.7	0	0	0	110.4	M449 I469 R475 L476 H477 W485 I524 E527	M449-I473 HydrophobicContact CE-CD1 4.09Å; M449-I473 HydrophobicContact SD-CD1 4.2Å; I469-I473 HydrophobicContact CG2-CG1 4.11Å; I469-I473 WeakPolarHBondContact O-CG1 3.1Å; I469-I473 PolarHBondContact O-N 3.19Å; I473-R475 VanDerWaalsContact C-N 3.34Å; I473-R475 PolarHBondContact O-N 3.23Å; I473-L476 PolarHBondContact O-N 2.75Å; I473-H477 WeakPolarHBondContact O-CA 3.34Å; I473-H477 VanDerWaalsContact O-CB 3.26Å; I473-H477 WeakPolarHBondContact O-CB 3.5Å; I473-H477 PolarHBondContact O-N 2.84Å; I473-W485 HydrophobicContact CD1-CD2 3.58Å; I473-W485 HydrophobicContact CD1-CE3 3.6Å; I473-W485 HydrophobicContact CD1-CG 4.21Å; I473-W485 HydrophobicContact CD1-CH2 3.85Å; I473-W485 HydrophobicContact CD1-CZ2 3.83Å; I473-W485 HydrophobicContact CD1-CZ3 3.74Å; I473-W485 HydrophobicContact CG2-CZ2 4.49Å; I473-I524 HydrophobicContact CD1-CG1 4.04Å; I473-I524 HydrophobicContact CD1-CG2 4.08Å; I473-I524 HydrophobicContact CG1-CB 4.45Å; I473-I524 HydrophobicContact CG1-CG1 3.98Å; I473-I524 HydrophobicContact CG1-CG2 4.39Å; I473-E527 HydrophobicContact CB-CB 3.87Å; I473-E527 HydrophobicContact CG2-CB 3.51Å
474	S	96.3	Very high	97.6	Very high	22 Å²	22	16.7 Å²	16.7	15%	0.154	8%	0.077	C	C	.	.	H	α-helix	trans	-61.3	-40.3	179.7	-172.1	0	0	0	0	113.2	G235 F236 K237 R470 R471	G235-S474 VanDerWaalsContact CA-OG 3.24Å; G235-S474 WeakPolarHBondContact CA-OG 3.38Å; F236-S474 CarbonylContact C-O 3.56Å; F236-S474 PolarHBondContact N-O 3.41Å; F236-S474 VanDerWaalsContact O-O 3.1Å; K237-S474 WeakPolarHBondContact CE-OG 3.4Å; R470-S474 WeakPolarHBondContact O-CB 3.07Å; R470-S474 PolarHBondContact O-N 2.88Å; R471-S474 PolarHBondContact O-N 2.9Å
475	R	96.8	Very high	97.8	Very high	15 Å²	15	15.7 Å²	15.7	6%	0.057	7%	0.07	C	C	.	.	H	α-helix	trans	-66.5	-42	176.4	-177.5	175.6	71.1	138.8	-5.7	112	D112 D432 R471 I473 Y478	D112-R475 IonicContact OD2-NH1 3.04Å; D432-R475 WeakPolarHBondContact OD1-CD 3.13Å; D432-R475 IonicContact OD1-CZ 3.75Å; D432-R475 VanDerWaalsContact OD1-CZ 3.31Å; D432-R475 IonicContact OD1-NE 3.09Å; D432-R475 IonicContact OD1-NH1 3.65Å; D432-R475 PolarHBondContact OD1-NH1 2.96Å; R471-R475 VanDerWaalsContact O-CB 3.26Å; R471-R475 WeakPolarHBondContact O-CB 3.19Å; R471-R475 PolarHBondContact O-N 3.44Å; I473-R475 VanDerWaalsContact C-N 3.34Å; I473-R475 PolarHBondContact O-N 3.23Å; R475-Y478 VanDerWaalsContact O-CD1 3.3Å; R475-Y478 WeakPolarHBondContact O-CD1 3.39Å; R475-Y478 WeakPolarHBondContact O-CE1 3.09Å
476	L	98.2	Very high	97.8	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-94	-9.8	-170.7	-62.7	177.4	0	0	0	114.2	Y429 Y435 Q472 I473 Y478 H479 I482 W485	Y429-L476 HydrophobicContact CD1-CD1 4.44Å; Y435-L476 HydrophobicContact CD1-CD2 4.31Å; Y435-L476 HydrophobicContact CD2-CD2 3.49Å; Y435-L476 VanDerWaalsContact CD2-CD2 3.49Å; Y435-L476 HydrophobicContact CE1-CD1 4.19Å; Y435-L476 HydrophobicContact CE1-CD2 4.23Å; Y435-L476 HydrophobicContact CE2-CD1 4.19Å; Y435-L476 HydrophobicContact CE2-CD2 3.35Å; Y435-L476 HydrophobicContact CE2-CG 4.43Å; Y435-L476 HydrophobicContact CG-CD2 3.97Å; Q472-L476 VanDerWaalsContact O-CB 3.26Å; Q472-L476 WeakPolarHBondContact O-CB 3.49Å; Q472-L476 VanDerWaalsContact O-CG 3.24Å; Q472-L476 WeakPolarHBondContact O-CG 3.17Å; Q472-L476 PolarHBondContact O-N 2.93Å; I473-L476 PolarHBondContact O-N 2.75Å; L476-Y478 PolarHBondContact O-N 3.19Å; L476-Y478 VanDerWaalsContact O-N 3.09Å; L476-H479 WeakPolarHBondContact O-CB 3.36Å; L476-H479 PolarHBondContact O-CD2 3.27Å; L476-H479 PolarHBondContact O-N 3.04Å; L476-H479 VanDerWaalsContact O-N 3.11Å; L476-I482 HydrophobicContact CB-CD1 3.79Å; L476-I482 HydrophobicContact CD1-CD1 4.47Å; L476-W485 HydrophobicContact CB-CH2 3.9Å; L476-W485 HydrophobicContact CD1-CH2 4.48Å
477	H	97.7	Very high	97.9	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-31.2	-173	-174.6	-70.6	0	0	0	113.9	K237 F238 Y239 I473 H479 E528 R545	K237-H477 HydrophobicContact CB-CB 4.03Å; K237-H477 HydrophobicContact CG-CB 3.78Å; F238-H477 PolarHBondContact N-ND1 3.25Å; F238-H477 PolarHBondContact O-CE1 2.92Å; F238-H477 VanDerWaalsContact O-CE1 3.24Å; F238-H477 PolarHBondContact O-ND1 3.37Å; Y239-H477 AromaticContact CD1-CE1 3.45Å; Y239-H477 VanDerWaalsContact CD1-CE1 3.45Å; Y239-H477 WeakPolarHBondContact CD1-CE1 3.4Å; Y239-H477 AromaticContact CD1-NE2 3.8Å; Y239-H477 AromaticContact CE1-CE1 3.38Å; Y239-H477 WeakPolarHBondContact CE1-CE1 3.48Å; Y239-H477 AromaticContact CE1-NE2 3.36Å; Y239-H477 WeakPolarHBondContact CE1-NE2 3.42Å; I473-H477 WeakPolarHBondContact O-CA 3.34Å; I473-H477 VanDerWaalsContact O-CB 3.26Å; I473-H477 WeakPolarHBondContact O-CB 3.5Å; I473-H477 PolarHBondContact O-N 2.84Å; H477-H479 VanDerWaalsContact C-N 3.27Å; H477-H479 PolarHBondContact O-N 3.47Å; H477-E528 IonicContact CD2-OE2 3.15Å; H477-E528 PolarHBondContact NE2-O 3.22Å; H477-E528 IonicContact NE2-OE1 2.78Å; H477-E528 IonicContact NE2-OE2 3.78Å; H477-R545 PolarHBondContact O-NH1 3.02Å; H477-R545 PolarHBondContact O-NH2 3.01Å
478	Y	97.4	Very high	98	Very high	11 Å²	11	8.5 Å²	8.5	4%	0.043	4%	0.036	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-10.3	-176.4	73.6	-85.7	0	0	0	114.3	F236 Y340 R475 L476 P480	F236-Y478 VanDerWaalsContact CD1-CB 3.48Å; F236-Y478 AromaticContact CD1-CD1 3.64Å; F236-Y478 HydrophobicContact CD1-CD1 3.64Å; F236-Y478 HydrophobicContact CD1-CD2 4.25Å; F236-Y478 HydrophobicContact CD1-CE1 4.42Å; F236-Y478 AromaticContact CD1-CG 3.53Å; F236-Y478 HydrophobicContact CD1-CG 3.53Å; F236-Y478 HydrophobicContact CE1-CD1 4.43Å; F236-Y478 HydrophobicContact CE1-CD2 4.33Å; F236-Y478 AromaticContact CE1-CG 3.87Å; F236-Y478 HydrophobicContact CE1-CG 3.87Å; Y340-Y478 HydrophobicContact CD1-CD1 4.46Å; Y340-Y478 HydrophobicContact CD1-CD2 4.3Å; Y340-Y478 HydrophobicContact CD1-CE1 4.23Å; Y340-Y478 HydrophobicContact CD1-CE2 4.06Å; Y340-Y478 HydrophobicContact CD1-CG 4.49Å; Y340-Y478 HydrophobicContact CE1-CE1 4.48Å; R475-Y478 VanDerWaalsContact O-CD1 3.3Å; R475-Y478 WeakPolarHBondContact O-CD1 3.39Å; R475-Y478 WeakPolarHBondContact O-CE1 3.09Å; L476-Y478 PolarHBondContact O-N 3.19Å; L476-Y478 VanDerWaalsContact O-N 3.09Å; Y478-P480 WeakPolarHBondContact O-CD 3.49Å
479	H	98.6	Very high	98.1	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	4%	0.037	C	C	.	.			trans	-73.4	114.7	-179.8	-70.7	-64.9	0	0	0	111.3	Y435 D439 L476 H477 S481 I482 R545	Y435-H479 VanDerWaalsContact CB-CE1 3.46Å; Y435-H479 WeakPolarHBondContact CB-CE1 3.48Å; Y435-H479 WeakPolarHBondContact CB-NE2 3.3Å; D439-H479 IonicContact OD1-ND1 3.18Å; D439-H479 IonicContact OD2-CE1 3.67Å; D439-H479 IonicContact OD2-CG 3.4Å; D439-H479 IonicContact OD2-ND1 2.74Å; D439-H479 PolarHBondContact OD2-ND1 3.12Å; L476-H479 WeakPolarHBondContact O-CB 3.36Å; L476-H479 PolarHBondContact O-CD2 3.27Å; L476-H479 PolarHBondContact O-N 3.04Å; L476-H479 VanDerWaalsContact O-N 3.11Å; H477-H479 VanDerWaalsContact C-N 3.27Å; H477-H479 PolarHBondContact O-N 3.47Å; H479-S481 PolarHBondContact O-N 3.2Å; H479-I482 HydrophobicContact CB-CD1 4.2Å; H479-I482 HydrophobicContact CB-CG1 4.21Å; H479-I482 PolarHBondContact O-N 2.94Å; H479-R545 PolarHBondContact O-NH2 2.85Å
480	P	98.5	Very high	98	Very high	3 Å²	3	9.6 Å²	9.6	2%	0.019	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-25.3	175.9	26.9	-37.4	0	0	0	112.9	W309 L320 R345 D439 Y478 I482	W309-P480 HydrophobicContact CB-CB 4.29Å; W309-P480 HydrophobicContact CD2-CB 3.9Å; W309-P480 HydrophobicContact CD2-CG 4.29Å; W309-P480 HydrophobicContact CE3-CB 4.33Å; W309-P480 HydrophobicContact CG-CB 3.88Å; W309-P480 HydrophobicContact CG-CG 4.07Å; L320-P480 HydrophobicContact CD2-CG 3.8Å; R345-P480 HydrophobicContact CG-CB 4.05Å; R345-P480 PolarHBondContact NE-O 2.57Å; R345-P480 PolarHBondContact NH2-O 3.39Å; D439-P480 HydrophobicContact CB-CG 4.15Å; D439-P480 VanDerWaalsContact CG-CD 3.48Å; D439-P480 VanDerWaalsContact OD1-CD 3.28Å; D439-P480 WeakPolarHBondContact OD1-CD 3.43Å; Y478-P480 WeakPolarHBondContact O-CD 3.49Å; P480-I482 VanDerWaalsContact C-N 3.33Å; P480-I482 PolarHBondContact O-N 3.33Å
481	S	98.7	Very high	98.1	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.025	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-37.4	178.4	50.8	0	0	0	0	113.3	D439 L443 M444 I445 H479 I483	D439-S481 WeakPolarHBondContact OD1-CA 3.01Å; D439-S481 WeakPolarHBondContact OD1-CB 3.25Å; D439-S481 PolarHBondContact OD1-N 3.08Å; D439-S481 PolarHBondContact OD1-OG 3Å; L443-S481 WeakPolarHBondContact O-CB 3.28Å; M444-S481 CarbonylContact C-O 3.5Å; M444-S481 VanDerWaalsContact CA-O 3.23Å; M444-S481 WeakPolarHBondContact CA-O 3.41Å; I445-S481 PolarHBondContact N-O 3.19Å; H479-S481 PolarHBondContact O-N 3.2Å; S481-I483 WeakPolarHBondContact O-CG2 3.49Å; S481-I483 PolarHBondContact O-N 3.01Å
482	I	98.8	Very high	98.1	Very high	0 Å²	0	3.9 Å²	3.9	0%	0	2%	0.02	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	113.8	-176.4	-54.8	176.6	0	0	0	109.8	R345 Y435 I445 H447 L476 H479 P480 W485 R545	R345-I482 PolarHBondContact NH2-O 2.99Å; Y435-I482 HydrophobicContact CD1-CD1 4.11Å; Y435-I482 HydrophobicContact CD1-CG1 4.43Å; Y435-I482 HydrophobicContact CE1-CD1 4.3Å; I445-I482 HydrophobicContact CB-CG1 4.06Å; I445-I482 HydrophobicContact CD1-CG1 4.41Å; I445-I482 HydrophobicContact CG2-CG1 4.12Å; I445-I482 WeakPolarHBondContact O-CA 3.46Å; H447-I482 HydrophobicContact CB-CG2 4.22Å; L476-I482 HydrophobicContact CB-CD1 3.79Å; L476-I482 HydrophobicContact CD1-CD1 4.47Å; H479-I482 HydrophobicContact CB-CD1 4.2Å; H479-I482 HydrophobicContact CB-CG1 4.21Å; H479-I482 PolarHBondContact O-N 2.94Å; P480-I482 VanDerWaalsContact C-N 3.33Å; P480-I482 PolarHBondContact O-N 3.33Å; I482-W485 HydrophobicContact CB-CH2 4.42Å; I482-W485 HydrophobicContact CD1-CH2 3.46Å; I482-W485 VanDerWaalsContact CD1-CH2 3.46Å; I482-W485 HydrophobicContact CD1-CZ2 4.21Å; I482-W485 HydrophobicContact CD1-CZ3 4.01Å; I482-W485 HydrophobicContact CG1-CH2 4.48Å; I482-W485 HydrophobicContact CG2-CD2 4.13Å; I482-W485 HydrophobicContact CG2-CE3 4.06Å; I482-W485 HydrophobicContact CG2-CH2 3.7Å; I482-W485 HydrophobicContact CG2-CZ2 3.76Å; I482-W485 HydrophobicContact CG2-CZ3 3.85Å; I482-R545 VanDerWaalsContact O-CD 3.3Å; I482-R545 WeakPolarHBondContact O-CD 3.4Å; I482-R545 PolarHBondContact O-NE 3.5Å
483	I	98.5	Very high	98	Very high	2 Å²	2	4.1 Å²	4.1	1%	0.01	2%	0.021	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	-21	-176.3	63.6	165.1	0	0	0	113.8	V347 F367 I376 L420 M444 I445 S481	V347-I483 HydrophobicContact CG2-CB 3.68Å; V347-I483 HydrophobicContact CG2-CG2 3.84Å; F367-I483 HydrophobicContact CB-CD1 4.24Å; F367-I483 HydrophobicContact CD1-CD1 3.91Å; F367-I483 HydrophobicContact CD2-CD1 4Å; F367-I483 HydrophobicContact CE1-CD1 4.26Å; F367-I483 HydrophobicContact CE2-CD1 4.35Å; F367-I483 HydrophobicContact CG-CD1 3.76Å; F367-I483 HydrophobicContact CZ-CD1 4.46Å; I376-I483 HydrophobicContact CD1-CD1 4.31Å; L420-I483 HydrophobicContact CD1-CD1 3.65Å; L420-I483 HydrophobicContact CD1-CG1 4.23Å; M444-I483 HydrophobicContact CB-CD1 4.09Å; M444-I483 HydrophobicContact CB-CG1 4.28Å; M444-I483 HydrophobicContact CB-CG2 4Å; M444-I483 HydrophobicContact CG-CD1 4.44Å; M444-I483 HydrophobicContact CG-CG2 3.86Å; M444-I483 HydrophobicContact SD-CD1 3.9Å; M444-I483 HydrophobicContact SD-CG2 4.12Å; I445-I483 WeakPolarHBondContact O-CG1 3.24Å; I445-I483 PolarHBondContact O-N 2.88Å; S481-I483 WeakPolarHBondContact O-CG2 3.49Å; S481-I483 PolarHBondContact O-N 3.01Å
484	V	98.7	Very high	98	Very high	0 Å²	0	4.1 Å²	4.1	0%	0	2%	0.021	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	143.3	-176	65.2	0	0	0	0	110.2	F367 W446 H447 R546 L548	F367-V484 HydrophobicContact CE1-CB 3.73Å; F367-V484 HydrophobicContact CE1-CG1 4.17Å; F367-V484 HydrophobicContact CE1-CG2 4.1Å; F367-V484 HydrophobicContact CZ-CB 3.85Å; F367-V484 HydrophobicContact CZ-CG1 3.83Å; F367-V484 HydrophobicContact CZ-CG2 4.07Å; W446-V484 HydrophobicContact CB-CG1 3.73Å; W446-V484 HydrophobicContact CD2-CG1 3.55Å; W446-V484 HydrophobicContact CE3-CG1 3.63Å; W446-V484 HydrophobicContact CG-CG1 3.6Å; W446-V484 HydrophobicContact CZ3-CG1 4.47Å; H447-V484 PolarHBondContact N-O 3.47Å; V484-R546 WeakPolarHBondContact CA-O 3.33Å; V484-R546 HydrophobicContact CG2-CB 4.3Å; V484-R546 WeakPolarHBondContact CG2-O 3.34Å; V484-L548 HydrophobicContact CG2-CD1 3.85Å; V484-L548 HydrophobicContact CG2-CG 3.84Å
485	W	98.8	Very high	98	Very high	0 Å²	0	3.2 Å²	3.2	0%	0	2%	0.015	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	146.2	169.6	-54.9	112.8	0	0	0	109.4	H447 M449 I473 L476 I482 I524 E528 R546 C547 L548	H447-W485 HydrophobicContact CB-CE3 3.59Å; H447-W485 HydrophobicContact CB-CZ3 3.65Å; H447-W485 AromaticContact CG-CE3 3.94Å; H447-W485 AromaticContact CG-CZ3 3.6Å; H447-W485 CarbonylContact O-C 3.49Å; H447-W485 WeakPolarHBondContact O-CA 3.27Å; M449-W485 HydrophobicContact CE-CD2 4.48Å; M449-W485 HydrophobicContact CE-CE3 3.5Å; M449-W485 HydrophobicContact CE-CZ3 3.96Å; I473-W485 HydrophobicContact CD1-CD2 3.58Å; I473-W485 HydrophobicContact CD1-CE3 3.6Å; I473-W485 HydrophobicContact CD1-CG 4.21Å; I473-W485 HydrophobicContact CD1-CH2 3.85Å; I473-W485 HydrophobicContact CD1-CZ2 3.83Å; I473-W485 HydrophobicContact CD1-CZ3 3.74Å; I473-W485 HydrophobicContact CG2-CZ2 4.49Å; L476-W485 HydrophobicContact CB-CH2 3.9Å; L476-W485 HydrophobicContact CD1-CH2 4.48Å; I482-W485 HydrophobicContact CB-CH2 4.42Å; I482-W485 HydrophobicContact CD1-CH2 3.46Å; I482-W485 VanDerWaalsContact CD1-CH2 3.46Å; I482-W485 HydrophobicContact CD1-CZ2 4.21Å; I482-W485 HydrophobicContact CD1-CZ3 4.01Å; I482-W485 HydrophobicContact CG1-CH2 4.48Å; I482-W485 HydrophobicContact CG2-CD2 4.13Å; I482-W485 HydrophobicContact CG2-CE3 4.06Å; I482-W485 HydrophobicContact CG2-CH2 3.7Å; I482-W485 HydrophobicContact CG2-CZ2 3.76Å; I482-W485 HydrophobicContact CG2-CZ3 3.85Å; W485-I524 HydrophobicContact CB-CD1 4.49Å; W485-I524 HydrophobicContact CB-CG2 3.9Å; W485-I524 HydrophobicContact CG-CG2 3.83Å; W485-E528 PolarHBondContact NE1-OE2 2.92Å; W485-R546 PolarHBondContact N-O 3.16Å; W485-C547 HydrophobicContact CB-CB 4.25Å; W485-C547 CarbonylContact O-C 3.47Å; W485-C547 WeakPolarHBondContact O-CA 3.32Å; W485-L548 PolarHBondContact O-N 3.22Å
486	S	98.6	Very high	98	Very high	0 Å²	0	2.8 Å²	2.8	0%	0	1%	0.014	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	138.7	166.7	-176.7	0	0	0	0	109.1	H447 D448 M449 D488 L548	H447-S486 PolarHBondContact O-N 3.05Å; D448-S486 CarbonylContact C-O 3.5Å; D448-S486 WeakPolarHBondContact CA-O 3.4Å; D448-S486 WeakPolarHBondContact OD1-CB 3.2Å; M449-S486 PolarHBondContact N-O 3.07Å; S486-D488 VanDerWaalsContact C-N 3.27Å; S486-D488 PolarHBondContact O-N 3.11Å; S486-D488 PolarHBondContact OG-O 2.84Å; S486-L548 WeakPolarHBondContact CA-O 3.39Å
487	T	98.7	Very high	97.9	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.03	C	C	.	.	S	Bend	trans	-74.3	-20.7	-179.4	88.2	0	0	0	0	113.5	F516 I520 F521 I524 L548 I549	T487-F516 VanDerWaalsContact OG1-CD1 3.29Å; T487-F516 WeakPolarHBondContact OG1-CD1 3.41Å; T487-I520 HydrophobicContact CG2-CB 4.45Å; T487-I520 HydrophobicContact CG2-CG2 3.89Å; T487-F521 HydrophobicContact CG2-CB 3.93Å; T487-I524 HydrophobicContact CG2-CD1 4.25Å; T487-L548 WeakPolarHBondContact CG2-O 3.35Å; T487-L548 PolarHBondContact N-O 3.04Å; T487-I549 WeakPolarHBondContact CB-O 3.33Å; T487-I549 PolarHBondContact OG1-O 3.21Å
488	D	98.4	Very high	97.8	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.042	C	C	.	.			trans	-161.1	173.8	-179.3	76	83.7	0	0	0	113.5	F451 S486 E490 V491 F516 I549 S550 S551	F451-D488 HydrophobicContact CB-CB 3.91Å; S486-D488 VanDerWaalsContact C-N 3.27Å; S486-D488 PolarHBondContact O-N 3.11Å; S486-D488 PolarHBondContact OG-O 2.84Å; D488-E490 PolarHBondContact OD1-N 3.49Å; D488-V491 HydrophobicContact CB-CB 4.03Å; D488-V491 HydrophobicContact CB-CG2 3.62Å; D488-V491 VanDerWaalsContact OD1-CB 3.31Å; D488-V491 WeakPolarHBondContact OD1-CB 3.39Å; D488-V491 PolarHBondContact OD1-N 3.25Å; D488-F516 HydrophobicContact CB-CD1 4.07Å; D488-F516 HydrophobicContact CB-CE1 3.76Å; D488-F516 HydrophobicContact CB-CZ 4.48Å; D488-I549 VanDerWaalsContact OD2-O 3.08Å; D488-S550 PolarHBondContact OD1-OG 3.22Å; D488-S550 WeakPolarHBondContact OD2-CA 3.42Å; D488-S550 WeakPolarHBondContact OD2-CB 3.32Å; D488-S550 PolarHBondContact OD2-OG 2.91Å; D488-S551 PolarHBondContact O-N 3.2Å
489	N	98.5	Very high	97.7	Very high	1 Å²	1	11.4 Å²	11.4	1%	0.005	6%	0.059	C	C	.	.	B	Isolated β-bridge	trans	-115.8	118.7	165.5	176.3	88	0	0	0	110.9	R422 W424 F451 A452 V453 V491 S551 H577 E599	R422-N489 PolarHBondContact NH1-OD1 3.31Å; R422-N489 PolarHBondContact NH2-OD1 3.12Å; W424-N489 PolarHBondContact NE1-ND2 3.38Å; F451-N489 PolarHBondContact O-N 3.31Å; A452-N489 CarbonylContact C-O 3.55Å; A452-N489 WeakPolarHBondContact CA-O 3.27Å; A452-N489 HydrophobicContact CB-CB 3.92Å; V453-N489 PolarHBondContact N-O 3.19Å; N489-V491 PolarHBondContact O-N 3.11Å; N489-S551 CarbonylContact C-O 3.6Å; N489-S551 WeakPolarHBondContact CA-O 3.32Å; N489-H577 PolarHBondContact OD1-CE1 3.48Å; N489-E599 PolarHBondContact OD1-OE1 2.93Å
490	E	97.8	Very high	97.5	Very high	21 Å²	21	14.9 Å²	14.9	10%	0.098	7%	0.072	C	C	.	.	S	Bend	trans	58.6	10.8	171	-57.1	-176.2	149.3	0	0	115.8	V453 D488 Q493 A494 W499 S551 H577	V453-E490 HydrophobicContact CG2-CB 4.15Å; V453-E490 WeakPolarHBondContact CG2-OE2 3.16Å; D488-E490 PolarHBondContact OD1-N 3.49Å; E490-Q493 HydrophobicContact CB-CB 4.31Å; E490-Q493 PolarHBondContact O-N 2.77Å; E490-Q493 PolarHBondContact OE1-OE1 3.38Å; E490-A494 VanDerWaalsContact O-CB 3.28Å; E490-A494 WeakPolarHBondContact O-CB 3.33Å; E490-A494 PolarHBondContact O-N 2.82Å; E490-W499 HydrophobicContact CB-CH2 4.08Å; E490-W499 HydrophobicContact CB-CZ3 4.27Å; E490-W499 HydrophobicContact CG-CH2 4.49Å; E490-S551 PolarHBondContact N-O 3.1Å; E490-H577 VanDerWaalsContact CG-CE1 3.45Å; E490-H577 WeakPolarHBondContact CG-CE1 3.41Å; E490-H577 VanDerWaalsContact CG-ND1 3.26Å; E490-H577 WeakPolarHBondContact CG-ND1 3.23Å; E490-H577 IonicContact OE1-CE1 3.34Å; E490-H577 IonicContact OE1-CG 2.68Å; E490-H577 IonicContact OE1-ND1 3.67Å; E490-H577 PolarHBondContact OE1-ND1 2.92Å
491	V	97.9	Very high	97.4	Very high	1 Å²	1	17 Å²	17	1%	0.006	9%	0.087	C	C	.	.	H	α-helix	trans	-69.5	-45.3	-179.2	-179.3	0	0	0	0	109.9	F451 A454 Y456 D488 N489 A494 I495 F512 F516	F451-V491 HydrophobicContact CB-CG2 4.43Å; A454-V491 WeakPolarHBondContact O-CG1 3.37Å; A454-V491 WeakPolarHBondContact O-CG2 3.39Å; Y456-V491 HydrophobicContact CD2-CG1 4.41Å; Y456-V491 HydrophobicContact CD2-CG2 4.26Å; Y456-V491 HydrophobicContact CE2-CG2 3.93Å; D488-V491 HydrophobicContact CB-CB 4.03Å; D488-V491 HydrophobicContact CB-CG2 3.62Å; D488-V491 VanDerWaalsContact OD1-CB 3.31Å; D488-V491 WeakPolarHBondContact OD1-CB 3.39Å; D488-V491 PolarHBondContact OD1-N 3.25Å; N489-V491 PolarHBondContact O-N 3.11Å; V491-A494 PolarHBondContact O-N 2.69Å; V491-I495 WeakPolarHBondContact O-CG1 3.4Å; V491-I495 PolarHBondContact O-N 3.07Å; V491-F512 HydrophobicContact CB-CD2 4.44Å; V491-F512 HydrophobicContact CB-CE2 4.19Å; V491-F512 HydrophobicContact CG1-CD2 3.83Å; V491-F512 HydrophobicContact CG1-CE2 4.08Å; V491-F516 HydrophobicContact CB-CZ 4.44Å; V491-F516 HydrophobicContact CG1-CE2 3.8Å; V491-F516 HydrophobicContact CG1-CZ 4Å; V491-F516 HydrophobicContact CG2-CZ 4.29Å
492	K	96.5	Very high	97.3	Very high	1 Å²	1	23.1 Å²	23.1	0%	0.004	12%	0.116	C	C	.	.	H	α-helix	trans	-63.1	-43.2	173.6	-174.9	174	-178.1	-90.3	0	111.3	A494 I495 A496 F512 S550 T558 G563 D565 P568	K492-A494 PolarHBondContact O-N 3.42Å; K492-I495 PolarHBondContact O-N 3.46Å; K492-A496 VanDerWaalsContact O-CB 3.29Å; K492-A496 WeakPolarHBondContact O-CB 3.36Å; K492-A496 PolarHBondContact O-N 3.48Å; K492-F512 HydrophobicContact CB-CE1 4.29Å; K492-F512 HydrophobicContact CB-CE2 3.91Å; K492-F512 HydrophobicContact CB-CZ 3.75Å; K492-F512 HydrophobicContact CD-CE1 4.31Å; K492-F512 HydrophobicContact CD-CZ 4.41Å; K492-F512 HydrophobicContact CG-CE1 4.4Å; K492-F512 HydrophobicContact CG-CZ 4.34Å; K492-S550 WeakPolarHBondContact CB-OG 3.27Å; K492-T558 HydrophobicContact CD-CG2 4.07Å; K492-G563 WeakPolarHBondContact CE-O 3.42Å; K492-D565 WeakPolarHBondContact CE-OD1 3.27Å; K492-D565 PolarHBondContact NZ-O 3.46Å; K492-D565 IonicContact NZ-OD1 3.87Å; K492-D565 PolarHBondContact NZ-OD1 2.99Å; K492-D565 IonicContact NZ-OD2 3.83Å; K492-D565 PolarHBondContact NZ-OD2 3.37Å; K492-P568 HydrophobicContact CD-CB 4.35Å; K492-P568 HydrophobicContact CG-CB 4.37Å
493	Q	97.1	Very high	97.2	Very high	9 Å²	9	27.3 Å²	27.3	4%	0.042	14%	0.143	C	C	.	.	H	α-helix	trans	-59.8	-45.8	178.8	-172.4	-169.1	22.7	0	0	111.8	E490 I495 A496 N497 W499 P552 P568 E569	E490-Q493 HydrophobicContact CB-CB 4.31Å; E490-Q493 PolarHBondContact O-N 2.77Å; E490-Q493 PolarHBondContact OE1-OE1 3.38Å; Q493-I495 VanDerWaalsContact C-N 3.26Å; Q493-I495 PolarHBondContact O-N 3.18Å; Q493-A496 PolarHBondContact O-N 3.43Å; Q493-N497 WeakPolarHBondContact CG-ND2 3.47Å; Q493-N497 WeakPolarHBondContact O-CB 3.3Å; Q493-N497 PolarHBondContact O-N 3.31Å; Q493-W499 HydrophobicContact CG-CZ2 4.06Å; Q493-P552 HydrophobicContact CB-CG 4.02Å; Q493-P552 HydrophobicContact CG-CG 4.17Å; Q493-P568 HydrophobicContact CB-CG 4.12Å; Q493-P568 HydrophobicContact CG-CG 4.37Å; Q493-E569 HydrophobicContact CG-CG 4.35Å; Q493-E569 PolarHBondContact NE2-OE1 2.83Å; Q493-E569 PolarHBondContact NE2-OE2 3.37Å
494	A	96.9	Very high	97	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-57.8	-40.1	178.9	0	0	0	0	0	112.5	V453 E490 V491 K492 G498 W499 Y500	V453-A494 VanDerWaalsContact O-CB 3.27Å; V453-A494 WeakPolarHBondContact O-CB 3.18Å; E490-A494 VanDerWaalsContact O-CB 3.28Å; E490-A494 WeakPolarHBondContact O-CB 3.33Å; E490-A494 PolarHBondContact O-N 2.82Å; V491-A494 PolarHBondContact O-N 2.69Å; K492-A494 PolarHBondContact O-N 3.42Å; A494-G498 PolarHBondContact O-N 2.76Å; A494-W499 HydrophobicContact CB-CB 4.29Å; A494-W499 HydrophobicContact CB-CD2 3.78Å; A494-W499 HydrophobicContact CB-CE3 3.33Å; A494-W499 HydrophobicContact CB-CG 4.2Å; A494-W499 HydrophobicContact CB-CZ3 3.87Å; A494-W499 PolarHBondContact O-N 2.85Å; A494-Y500 HydrophobicContact CB-CD2 4.5Å; A494-Y500 HydrophobicContact CB-CE2 3.87Å
495	I	97.1	Very high	96.9	Very high	4 Å²	4	31.1 Å²	31.1	2%	0.021	16%	0.162	C	C	.	.	H	α-helix	trans	-72.8	-47.4	176.5	-60.1	166.8	0	0	0	110.7	T455 V491 K492 Q493 N497 G498 M504 L508 L509 F512	T455-I495 HydrophobicContact CG2-CD1 4.05Å; T455-I495 HydrophobicContact CG2-CG1 3.74Å; V491-I495 WeakPolarHBondContact O-CG1 3.4Å; V491-I495 PolarHBondContact O-N 3.07Å; K492-I495 PolarHBondContact O-N 3.46Å; Q493-I495 VanDerWaalsContact C-N 3.26Å; Q493-I495 PolarHBondContact O-N 3.18Å; I495-N497 PolarHBondContact O-N 2.94Å; I495-G498 PolarHBondContact O-N 2.82Å; I495-M504 PolarHBondContact O-N 2.91Å; I495-M504 VanDerWaalsContact O-N 3.08Å; I495-L508 HydrophobicContact CD1-CB 4.1Å; I495-L508 HydrophobicContact CG1-CB 4.04Å; I495-L508 HydrophobicContact CG2-CB 3.72Å; I495-L509 HydrophobicContact CB-CD2 4.46Å; I495-L509 HydrophobicContact CG2-CD2 3.74Å; I495-L509 HydrophobicContact CG2-CG 3.67Å; I495-F512 HydrophobicContact CD1-CB 3.79Å; I495-F512 HydrophobicContact CD1-CD2 4.21Å; I495-F512 HydrophobicContact CD1-CG 4.26Å
496	A	96.3	Very high	96.7	Very high	6 Å²	6	39.1 Å²	39.1	5%	0.05	20%	0.197	C	C	.	.	H	α-helix	trans	-62.6	-41.9	-176.7	0	0	0	0	0	112.3	K492 Q493 G498 P503 M504 P568	K492-A496 VanDerWaalsContact O-CB 3.29Å; K492-A496 WeakPolarHBondContact O-CB 3.36Å; K492-A496 PolarHBondContact O-N 3.48Å; Q493-A496 PolarHBondContact O-N 3.43Å; A496-G498 VanDerWaalsContact C-N 3.34Å; A496-P503 WeakPolarHBondContact O-CA 3.41Å; A496-P503 VanDerWaalsContact O-CB 3.31Å; A496-P503 WeakPolarHBondContact O-CB 3.27Å; A496-M504 HydrophobicContact CB-SD 3.7Å; A496-M504 PolarHBondContact O-N 2.7Å; A496-P568 VanDerWaalsContact CB-CD 3.47Å; A496-P568 HydrophobicContact CB-CG 3.75Å
497	N	95.7	Very high	96.6	Very high	63 Å²	63	42.7 Å²	42.7	34%	0.337	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-2.3	-177.6	-68.1	-5.2	0	0	0	113.5	Q493 I495 E569	Q493-N497 WeakPolarHBondContact CG-ND2 3.47Å; Q493-N497 WeakPolarHBondContact O-CB 3.3Å; Q493-N497 PolarHBondContact O-N 3.31Å; I495-N497 PolarHBondContact O-N 2.94Å; N497-E569 PolarHBondContact ND2-OE2 2.9Å
498	G	95.9	Very high	96.5	Very high	24 Å²	24	43.2 Å²	43.2	25%	0.247	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.6	43.5	176.2	0	0	0	0	0	113.8	A494 I495 A496 Y500 S501	A494-G498 PolarHBondContact O-N 2.76Å; I495-G498 PolarHBondContact O-N 2.82Å; A496-G498 VanDerWaalsContact C-N 3.34Å; G498-Y500 PolarHBondContact O-N 2.97Å; G498-S501 CarbonylContact C-O 3.57Å; G498-S501 VanDerWaalsContact C-O 3.25Å; G498-S501 WeakPolarHBondContact CA-O 3.34Å; G498-S501 VanDerWaalsContact O-O 3.1Å
499	W	95.3	Very high	96.4	Very high	104 Å²	104	43.8 Å²	43.8	39%	0.394	23%	0.225	S	C	.	.	S	Bend	trans	-65.6	-28.6	178.1	-67.6	2.3	0	0	0	112.6	V453 E490 Q493 A494	V453-W499 HydrophobicContact CB-CZ3 4.49Å; V453-W499 HydrophobicContact CG1-CE3 4.28Å; V453-W499 HydrophobicContact CG1-CZ3 3.93Å; V453-W499 HydrophobicContact CG2-CZ3 4.32Å; E490-W499 HydrophobicContact CB-CH2 4.08Å; E490-W499 HydrophobicContact CB-CZ3 4.27Å; E490-W499 HydrophobicContact CG-CH2 4.49Å; Q493-W499 HydrophobicContact CG-CZ2 4.06Å; A494-W499 HydrophobicContact CB-CB 4.29Å; A494-W499 HydrophobicContact CB-CD2 3.78Å; A494-W499 HydrophobicContact CB-CE3 3.33Å; A494-W499 HydrophobicContact CB-CG 4.2Å; A494-W499 HydrophobicContact CB-CZ3 3.87Å; A494-W499 PolarHBondContact O-N 2.85Å
500	Y	95	Very high	96.3	Very high	73 Å²	73	46.3 Å²	46.3	29%	0.286	24%	0.242	S	C	.	.	S	Bend	trans	-129.9	-12.5	-175.4	-44.5	-54.3	0	0	0	115.4	P180 P181 V453 T455 A494 G498	P180-Y500 HydrophobicContact CB-CD2 4.07Å; P180-Y500 HydrophobicContact CB-CG 3.84Å; P180-Y500 HydrophobicContact CG-CD2 4.19Å; P180-Y500 HydrophobicContact CG-CG 4.27Å; P181-Y500 HydrophobicContact CB-CD1 3.85Å; P181-Y500 HydrophobicContact CB-CE1 3.61Å; P181-Y500 VanDerWaalsContact CD-CZ 3.48Å; P181-Y500 HydrophobicContact CG-CD1 4.45Å; P181-Y500 HydrophobicContact CG-CE1 3.8Å; P181-Y500 HydrophobicContact CG-CE2 4.41Å; V453-Y500 VanDerWaalsContact CG1-OH 3.24Å; V453-Y500 WeakPolarHBondContact CG1-OH 3.23Å; V453-Y500 WeakPolarHBondContact O-CE2 3.37Å; V453-Y500 PolarHBondContact O-OH 2.6Å; V453-Y500 VanDerWaalsContact O-OH 3.09Å; T455-Y500 HydrophobicContact CG2-CD2 4.31Å; A494-Y500 HydrophobicContact CB-CD2 4.5Å; A494-Y500 HydrophobicContact CB-CE2 3.87Å; G498-Y500 PolarHBondContact O-N 2.97Å
501	S	95.8	Very high	96.3	Very high	47 Å²	47	46.7 Å²	46.7	33%	0.329	25%	0.245	S	C	.	.	S	Bend	trans	-145.4	-173.3	176.3	-168.1	0	0	0	0	107.8	G498 D505	G498-S501 CarbonylContact C-O 3.57Å; G498-S501 VanDerWaalsContact C-O 3.25Å; G498-S501 WeakPolarHBondContact CA-O 3.34Å; G498-S501 VanDerWaalsContact O-O 3.1Å; S501-D505 PolarHBondContact OG-OD2 2.54Å
502	Q	96.1	Very high	96.2	Very high	130 Å²	130	46.8 Å²	46.8	61%	0.607	25%	0.245	S	C	*	.	S	Bend	trans	-54.5	142.9	167.3	64.8	-140.1	-27.3	0	0	111.3	M504 D505	Q502-M504 PolarHBondContact O-N 3.08Å; Q502-D505 HydrophobicContact CG-CB 4.11Å; Q502-D505 PolarHBondContact NE2-OD2 3Å; Q502-D505 PolarHBondContact O-N 3.36Å
503	P	96.7	Very high	96.3	Very high	88 Å²	88	49 Å²	49	57%	0.571	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.9	136.1	172.5	-29.1	36.3	0	0	0	111.8	A496 D505	A496-P503 WeakPolarHBondContact O-CA 3.41Å; A496-P503 VanDerWaalsContact O-CB 3.31Å; A496-P503 WeakPolarHBondContact O-CB 3.27Å; P503-D505 VanDerWaalsContact C-N 3.29Å; P503-D505 PolarHBondContact O-N 2.75Å
504	M	94.8	Very high	96.3	Very high	67 Å²	67	49.6 Å²	49.6	33%	0.33	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.4	36.3	-179.4	-57.1	-71.5	-83.6	0	0	113.7	I495 A496 Q502 F506 L509 P566	I495-M504 PolarHBondContact O-N 2.91Å; I495-M504 VanDerWaalsContact O-N 3.08Å; A496-M504 HydrophobicContact CB-SD 3.7Å; A496-M504 PolarHBondContact O-N 2.7Å; Q502-M504 PolarHBondContact O-N 3.08Å; M504-F506 PolarHBondContact O-N 2.91Å; M504-F506 VanDerWaalsContact O-N 3.08Å; M504-L509 HydrophobicContact CB-CD1 4.11Å; M504-L509 HydrophobicContact CE-CD1 4.27Å; M504-L509 HydrophobicContact SD-CD1 4.24Å; M504-P566 HydrophobicContact CE-CB 4.12Å
505	D	96.5	Very high	96.3	Very high	14 Å²	14	50 Å²	50	8%	0.075	26%	0.261	C	S	.	.			trans	-51.3	116.7	175.1	-172.8	-70.5	0	0	0	111.6	S501 Q502 P503 T507 L508 L509	S501-D505 PolarHBondContact OG-OD2 2.54Å; Q502-D505 HydrophobicContact CG-CB 4.11Å; Q502-D505 PolarHBondContact NE2-OD2 3Å; Q502-D505 PolarHBondContact O-N 3.36Å; P503-D505 VanDerWaalsContact C-N 3.29Å; P503-D505 PolarHBondContact O-N 2.75Å; D505-T507 VanDerWaalsContact C-N 3.3Å; D505-T507 PolarHBondContact O-N 2.74Å; D505-T507 WeakPolarHBondContact OD1-CA 3.28Å; D505-T507 VanDerWaalsContact OD1-CB 3.32Å; D505-T507 WeakPolarHBondContact OD1-CB 3.45Å; D505-T507 PolarHBondContact OD1-N 3.01Å; D505-L508 HydrophobicContact CB-CB 4.13Å; D505-L508 HydrophobicContact CB-CD1 4.03Å; D505-L508 HydrophobicContact CB-CG 4.1Å; D505-L508 PolarHBondContact O-N 2.85Å; D505-L508 PolarHBondContact OD1-N 3.44Å; D505-L509 WeakPolarHBondContact O-CB 3.49Å; D505-L509 WeakPolarHBondContact O-CG 3.14Å; D505-L509 PolarHBondContact O-N 3.25Å
506	F	95.7	Very high	96.3	Very high	169 Å²	169	49.9 Å²	49.9	74%	0.741	26%	0.261	S	S	*	.	H	α-helix	trans	-63	-35.6	-173.8	-176	-95.8	0	0	0	112.9	M504 L509 S510	M504-F506 PolarHBondContact O-N 2.91Å; M504-F506 VanDerWaalsContact O-N 3.08Å; F506-L509 PolarHBondContact O-N 2.94Å; F506-S510 WeakPolarHBondContact O-CB 3.35Å; F506-S510 PolarHBondContact O-N 2.93Å; F506-S510 PolarHBondContact O-OG 2.89Å
507	T	96.4	Very high	96.4	Very high	75 Å²	75	50 Å²	50	46%	0.46	26%	0.261	S	S	.	.	H	α-helix	trans	-66.8	-48.7	179	-54.3	0	0	0	0	109.6	L177 D505 L509 S510 I511	L177-T507 HydrophobicContact CD2-CG2 4.17Å; D505-T507 VanDerWaalsContact C-N 3.3Å; D505-T507 PolarHBondContact O-N 2.74Å; D505-T507 WeakPolarHBondContact OD1-CA 3.28Å; D505-T507 VanDerWaalsContact OD1-CB 3.32Å; D505-T507 WeakPolarHBondContact OD1-CB 3.45Å; D505-T507 PolarHBondContact OD1-N 3.01Å; T507-L509 PolarHBondContact O-N 3.28Å; T507-S510 PolarHBondContact O-N 3.25Å; T507-S510 PolarHBondContact O-OG 2.73Å; T507-I511 HydrophobicContact CG2-CD1 4.34Å; T507-I511 WeakPolarHBondContact O-CG1 3.49Å; T507-I511 PolarHBondContact O-N 3.12Å; T507-I511 VanDerWaalsContact O-N 3.14Å
508	L	96.8	Very high	96.4	Very high	10 Å²	10	50.4 Å²	50.4	5%	0.052	26%	0.261	C	S	.	.	H	α-helix	trans	-63.7	-40	177.2	-62.5	180	0	0	0	112.3	L177 P180 T455 I495 D505 S510 I511 F512	L177-L508 HydrophobicContact CD2-CD2 3.79Å; P180-L508 HydrophobicContact CG-CD1 4.24Å; P180-L508 HydrophobicContact CG-CD2 4.2Å; T455-L508 HydrophobicContact CG2-CD1 4.39Å; T455-L508 HydrophobicContact CG2-CD2 4.36Å; I495-L508 HydrophobicContact CD1-CB 4.1Å; I495-L508 HydrophobicContact CG1-CB 4.04Å; I495-L508 HydrophobicContact CG2-CB 3.72Å; D505-L508 HydrophobicContact CB-CB 4.13Å; D505-L508 HydrophobicContact CB-CD1 4.03Å; D505-L508 HydrophobicContact CB-CG 4.1Å; D505-L508 PolarHBondContact O-N 2.85Å; D505-L508 PolarHBondContact OD1-N 3.44Å; L508-S510 PolarHBondContact O-N 3.17Å; L508-I511 PolarHBondContact O-N 3.37Å; L508-F512 WeakPolarHBondContact O-CB 3.45Å; L508-F512 PolarHBondContact O-N 3.2Å
509	L	96.3	Very high	96.5	Very high	12 Å²	12	49.2 Å²	49.2	6%	0.063	25%	0.249	C	C	.	.	H	α-helix	trans	-65.2	-36.9	176.3	-75.8	172.5	0	0	0	112.7	I495 M504 D505 F506 T507 F512 K513 L564	I495-L509 HydrophobicContact CB-CD2 4.46Å; I495-L509 HydrophobicContact CG2-CD2 3.74Å; I495-L509 HydrophobicContact CG2-CG 3.67Å; M504-L509 HydrophobicContact CB-CD1 4.11Å; M504-L509 HydrophobicContact CE-CD1 4.27Å; M504-L509 HydrophobicContact SD-CD1 4.24Å; D505-L509 WeakPolarHBondContact O-CB 3.49Å; D505-L509 WeakPolarHBondContact O-CG 3.14Å; D505-L509 PolarHBondContact O-N 3.25Å; F506-L509 PolarHBondContact O-N 2.94Å; T507-L509 PolarHBondContact O-N 3.28Å; L509-F512 PolarHBondContact O-N 2.72Å; L509-K513 WeakPolarHBondContact O-CB 3.08Å; L509-K513 PolarHBondContact O-N 2.91Å; L509-L564 HydrophobicContact CB-CD2 4.12Å
510	S	96.2	Very high	96.6	Very high	54 Å²	54	44.3 Å²	44.3	38%	0.378	23%	0.23	S	C	.	.	H	α-helix	trans	-64.7	-42.1	175.2	69	0	0	0	0	112.4	F506 T507 L508 K513 S514	F506-S510 WeakPolarHBondContact O-CB 3.35Å; F506-S510 PolarHBondContact O-N 2.93Å; F506-S510 PolarHBondContact O-OG 2.89Å; T507-S510 PolarHBondContact O-N 3.25Å; T507-S510 PolarHBondContact O-OG 2.73Å; L508-S510 PolarHBondContact O-N 3.17Å; S510-K513 PolarHBondContact O-N 2.87Å; S510-S514 PolarHBondContact O-N 2.79Å
511	I	96.4	Very high	96.7	Very high	30 Å²	30	41.9 Å²	41.9	15%	0.154	22%	0.221	C	C	.	.	H	α-helix	trans	-64.2	-45.2	174.1	-68.5	169.3	0	0	0	110.2	L177 Y456 D458 T507 L508 K513 S514 R515	L177-I511 HydrophobicContact CD2-CD1 3.85Å; Y456-I511 VanDerWaalsContact O-CG2 3.24Å; Y456-I511 WeakPolarHBondContact O-CG2 3.4Å; D458-I511 HydrophobicContact CB-CG1 4.36Å; D458-I511 HydrophobicContact CB-CG2 4.14Å; T507-I511 HydrophobicContact CG2-CD1 4.34Å; T507-I511 WeakPolarHBondContact O-CG1 3.49Å; T507-I511 PolarHBondContact O-N 3.12Å; T507-I511 VanDerWaalsContact O-N 3.14Å; L508-I511 PolarHBondContact O-N 3.37Å; I511-K513 VanDerWaalsContact C-N 3.35Å; I511-K513 PolarHBondContact O-N 3.4Å; I511-S514 PolarHBondContact O-N 3.35Å; I511-R515 WeakPolarHBondContact O-CB 3.46Å; I511-R515 PolarHBondContact O-N 2.82Å
512	F	97.4	Very high	96.8	Very high	3 Å²	3	43.1 Å²	43.1	1%	0.013	22%	0.224	C	C	.	.	H	α-helix	trans	-56.1	-50.1	175.8	175.3	-91.1	0	0	0	111.1	V491 K492 I495 L508 L509 S514 R515 F516 V517 I549	V491-F512 HydrophobicContact CB-CD2 4.44Å; V491-F512 HydrophobicContact CB-CE2 4.19Å; V491-F512 HydrophobicContact CG1-CD2 3.83Å; V491-F512 HydrophobicContact CG1-CE2 4.08Å; K492-F512 HydrophobicContact CB-CE1 4.29Å; K492-F512 HydrophobicContact CB-CE2 3.91Å; K492-F512 HydrophobicContact CB-CZ 3.75Å; K492-F512 HydrophobicContact CD-CE1 4.31Å; K492-F512 HydrophobicContact CD-CZ 4.41Å; K492-F512 HydrophobicContact CG-CE1 4.4Å; K492-F512 HydrophobicContact CG-CZ 4.34Å; I495-F512 HydrophobicContact CD1-CB 3.79Å; I495-F512 HydrophobicContact CD1-CD2 4.21Å; I495-F512 HydrophobicContact CD1-CG 4.26Å; L508-F512 WeakPolarHBondContact O-CB 3.45Å; L508-F512 PolarHBondContact O-N 3.2Å; L509-F512 PolarHBondContact O-N 2.72Å; F512-S514 PolarHBondContact O-N 2.96Å; F512-R515 PolarHBondContact O-N 2.61Å; F512-F516 HydrophobicContact CB-CD2 4.45Å; F512-F516 HydrophobicContact CD2-CB 4.24Å; F512-F516 AromaticContact CD2-CD2 3.28Å; F512-F516 HydrophobicContact CD2-CD2 3.28Å; F512-F516 AromaticContact CD2-CE2 3.85Å; F512-F516 HydrophobicContact CD2-CE2 3.85Å; F512-F516 AromaticContact CD2-CG 3.94Å; F512-F516 HydrophobicContact CD2-CG 3.94Å; F512-F516 HydrophobicContact CE1-CB 4.28Å; F512-F516 HydrophobicContact CE2-CB 3.85Å; F512-F516 HydrophobicContact CE2-CD1 4.48Å; F512-F516 AromaticContact CE2-CD2 3.52Å; F512-F516 HydrophobicContact CE2-CD2 3.52Å; F512-F516 HydrophobicContact CE2-CE2 4.19Å; F512-F516 AromaticContact CE2-CG 3.68Å; F512-F516 HydrophobicContact CE2-CG 3.68Å; F512-F516 AromaticContact CG-CD2 3.97Å; F512-F516 HydrophobicContact CG-CD2 3.97Å; F512-F516 HydrophobicContact CZ-CB 3.86Å; F512-F516 HydrophobicContact CZ-CD2 4.36Å; F512-F516 HydrophobicContact CZ-CG 4.21Å; F512-F516 WeakPolarHBondContact O-CB 3.26Å; F512-F516 WeakPolarHBondContact O-CD2 3.42Å; F512-F516 PolarHBondContact O-N 3.48Å; F512-V517 HydrophobicContact CE1-CG2 4.25Å; F512-I549 HydrophobicContact CE1-CG2 3.84Å; F512-I549 HydrophobicContact CZ-CG2 3.8Å
513	K	97.4	Very high	96.8	Very high	48 Å²	48	37.1 Å²	37.1	21%	0.209	20%	0.196	C	C	.	.	I	π-helix	trans	-57.1	-47.9	178.2	177.8	-178.1	172.6	-162	0	111.7	L509 S510 I511 V517 E518 L564	L509-K513 WeakPolarHBondContact O-CB 3.08Å; L509-K513 PolarHBondContact O-N 2.91Å; S510-K513 PolarHBondContact O-N 2.87Å; I511-K513 VanDerWaalsContact C-N 3.35Å; I511-K513 PolarHBondContact O-N 3.4Å; K513-V517 HydrophobicContact CG-CB 4.32Å; K513-V517 CarbonylContact O-C 3.49Å; K513-V517 WeakPolarHBondContact O-CA 3.34Å; K513-V517 WeakPolarHBondContact O-CB 3.48Å; K513-V517 PolarHBondContact O-N 3.12Å; K513-E518 VanDerWaalsContact CE-OE1 3.26Å; K513-E518 WeakPolarHBondContact CE-OE1 3.1Å; K513-E518 HydrophobicContact CG-CG 4.45Å; K513-E518 IonicContact NZ-OE1 2.79Å; K513-E518 PolarHBondContact O-N 2.98Å; K513-L564 HydrophobicContact CD-CD1 4.31Å; K513-L564 HydrophobicContact CD-CG 4.48Å
514	S	96.7	Very high	96.8	Very high	20 Å²	20	33 Å²	33	14%	0.14	17%	0.169	C	C	.	.	I	π-helix	trans	-61.7	-47	179.7	174.7	0	0	0	0	112.4	D458 K459 S510 I511 F512 S519	D458-S514 WeakPolarHBondContact OD1-CB 3.21Å; D458-S514 PolarHBondContact OD1-OG 2.54Å; K459-S514 WeakPolarHBondContact CB-OG 3.38Å; S510-S514 PolarHBondContact O-N 2.79Å; I511-S514 PolarHBondContact O-N 3.35Å; F512-S514 PolarHBondContact O-N 2.96Å; S514-S519 PolarHBondContact O-N 2.93Å
515	R	97.2	Very high	96.9	Very high	9 Å²	9	31.3 Å²	31.3	3%	0.034	16%	0.162	C	C	.	.	I	π-helix	trans	-74.1	-49.4	-178.3	175.6	58.1	67.6	-176.4	7.1	113.6	P457 D458 D463 V465 I511 F512 S519 I520	P457-R515 PolarHBondContact O-NE 2.96Å; P457-R515 PolarHBondContact O-NH2 3.43Å; D458-R515 PolarHBondContact O-NH2 3.28Å; D463-R515 IonicContact OD1-NH1 3.72Å; D463-R515 PolarHBondContact OD1-NH1 2.97Å; D463-R515 IonicContact OD2-CZ 2.71Å; D463-R515 IonicContact OD2-NH1 2.65Å; D463-R515 PolarHBondContact OD2-NH1 3.01Å; D463-R515 IonicContact OD2-NH2 3.45Å; D463-R515 PolarHBondContact OD2-NH2 3.23Å; V465-R515 VanDerWaalsContact CB-NH1 3.33Å; I511-R515 WeakPolarHBondContact O-CB 3.46Å; I511-R515 PolarHBondContact O-N 2.82Å; F512-R515 PolarHBondContact O-N 2.61Å; R515-S519 VanDerWaalsContact O-CB 3.27Å; R515-S519 WeakPolarHBondContact O-CB 3.31Å; R515-I520 HydrophobicContact CG-CD1 4.1Å; R515-I520 WeakPolarHBondContact O-CG1 3.21Å; R515-I520 PolarHBondContact O-N 2.82Å
516	F	98	Very high	96.7	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.009	18%	0.183	C	C	.	.	I	π-helix	trans	-93.4	-35.3	-168.9	-66.4	-80.9	0	0	0	112.3	F451 Y456 T487 D488 V491 F512 I520 F521	F451-F516 HydrophobicContact CB-CE1 3.76Å; F451-F516 HydrophobicContact CB-CZ 4.11Å; F451-F516 AromaticContact CD1-CE1 3.77Å; F451-F516 HydrophobicContact CD1-CE1 3.77Å; F451-F516 AromaticContact CD1-CZ 3.75Å; F451-F516 HydrophobicContact CD1-CZ 3.75Å; F451-F516 HydrophobicContact CD2-CE1 4.08Å; F451-F516 HydrophobicContact CE1-CE1 4.36Å; F451-F516 HydrophobicContact CE1-CZ 4.38Å; F451-F516 AromaticContact CG-CE1 3.61Å; F451-F516 HydrophobicContact CG-CE1 3.61Å; F451-F516 HydrophobicContact CG-CZ 4.02Å; Y456-F516 HydrophobicContact CD2-CE2 4.33Å; Y456-F516 AromaticContact CD2-CZ 3.7Å; Y456-F516 HydrophobicContact CD2-CZ 3.7Å; Y456-F516 HydrophobicContact CE2-CZ 4.45Å; Y456-F516 HydrophobicContact CG-CZ 4.23Å; T487-F516 VanDerWaalsContact OG1-CD1 3.29Å; T487-F516 WeakPolarHBondContact OG1-CD1 3.41Å; D488-F516 HydrophobicContact CB-CD1 4.07Å; D488-F516 HydrophobicContact CB-CE1 3.76Å; D488-F516 HydrophobicContact CB-CZ 4.48Å; V491-F516 HydrophobicContact CB-CZ 4.44Å; V491-F516 HydrophobicContact CG1-CE2 3.8Å; V491-F516 HydrophobicContact CG1-CZ 4Å; V491-F516 HydrophobicContact CG2-CZ 4.29Å; F512-F516 HydrophobicContact CB-CD2 4.45Å; F512-F516 HydrophobicContact CD2-CB 4.24Å; F512-F516 AromaticContact CD2-CD2 3.28Å; F512-F516 HydrophobicContact CD2-CD2 3.28Å; F512-F516 AromaticContact CD2-CE2 3.85Å; F512-F516 HydrophobicContact CD2-CE2 3.85Å; F512-F516 AromaticContact CD2-CG 3.94Å; F512-F516 HydrophobicContact CD2-CG 3.94Å; F512-F516 HydrophobicContact CE1-CB 4.28Å; F512-F516 HydrophobicContact CE2-CB 3.85Å; F512-F516 HydrophobicContact CE2-CD1 4.48Å; F512-F516 AromaticContact CE2-CD2 3.52Å; F512-F516 HydrophobicContact CE2-CD2 3.52Å; F512-F516 HydrophobicContact CE2-CE2 4.19Å; F512-F516 AromaticContact CE2-CG 3.68Å; F512-F516 HydrophobicContact CE2-CG 3.68Å; F512-F516 AromaticContact CG-CD2 3.97Å; F512-F516 HydrophobicContact CG-CD2 3.97Å; F512-F516 HydrophobicContact CZ-CB 3.86Å; F512-F516 HydrophobicContact CZ-CD2 4.36Å; F512-F516 HydrophobicContact CZ-CG 4.21Å; F512-F516 WeakPolarHBondContact O-CB 3.26Å; F512-F516 WeakPolarHBondContact O-CD2 3.42Å; F512-F516 PolarHBondContact O-N 3.48Å; F516-I520 HydrophobicContact CD1-CD1 3.63Å; F516-I520 HydrophobicContact CE1-CD1 3.8Å; F516-I520 HydrophobicContact CG-CD1 4.42Å; F516-F521 WeakPolarHBondContact O-CB 3.34Å; F516-F521 PolarHBondContact O-N 3.15Å
517	V	97.4	Very high	96.6	Very high	9 Å²	9	27.9 Å²	27.9	6%	0.055	15%	0.151	C	C	.	.	I	π-helix	trans	-92.6	-50.8	-177.5	-171.1	0	0	0	0	111.6	F512 K513 S519 I549 R562	F512-V517 HydrophobicContact CE1-CG2 4.25Å; K513-V517 HydrophobicContact CG-CB 4.32Å; K513-V517 CarbonylContact O-C 3.49Å; K513-V517 WeakPolarHBondContact O-CA 3.34Å; K513-V517 WeakPolarHBondContact O-CB 3.48Å; K513-V517 PolarHBondContact O-N 3.12Å; V517-S519 VanDerWaalsContact C-N 3.34Å; V517-I549 HydrophobicContact CB-CD1 4.5Å; V517-I549 HydrophobicContact CG1-CD1 3.98Å; V517-I549 HydrophobicContact CG2-CD1 3.91Å; V517-I549 HydrophobicContact CG2-CG1 4.42Å; V517-I549 HydrophobicContact CG2-CG2 3.85Å; V517-R562 HydrophobicContact CG1-CB 4.3Å
518	E	96.3	Very high	96.5	Very high	70 Å²	70	24.3 Å²	24.3	33%	0.327	13%	0.129	S	C	.	.	I	π-helix	trans	-83.9	-11.1	-174.4	-60.5	-179.6	166.5	0	0	113.6	K513 N522 R562	K513-E518 VanDerWaalsContact CE-OE1 3.26Å; K513-E518 WeakPolarHBondContact CE-OE1 3.1Å; K513-E518 HydrophobicContact CG-CG 4.45Å; K513-E518 IonicContact NZ-OE1 2.79Å; K513-E518 PolarHBondContact O-N 2.98Å; E518-N522 PolarHBondContact O-ND2 2.99Å; E518-R562 IonicContact OE1-CZ 3.78Å; E518-R562 IonicContact OE1-NH2 2.65Å; E518-R562 PolarHBondContact OE1-NH2 2.96Å
519	S	97	Very high	96.2	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.141	C	C	.	.	I	π-helix	trans	-119.4	-81.8	177.7	179.1	0	0	0	0	111.7	E466 S514 R515 V517 F521 N522 V523	E466-S519 WeakPolarHBondContact CG-OG 3.4Å; E466-S519 WeakPolarHBondContact OE1-CB 3.44Å; E466-S519 PolarHBondContact OE1-OG 3.21Å; S514-S519 PolarHBondContact O-N 2.93Å; R515-S519 VanDerWaalsContact O-CB 3.27Å; R515-S519 WeakPolarHBondContact O-CB 3.31Å; V517-S519 VanDerWaalsContact C-N 3.34Å; S519-F521 PolarHBondContact O-N 2.8Å; S519-N522 PolarHBondContact O-N 3.47Å; S519-V523 WeakPolarHBondContact O-CG2 3.32Å; S519-V523 PolarHBondContact O-N 3.26Å
520	I	98.2	Very high	95.4	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.145	C	C	.	.	I	π-helix	trans	-57.7	-51.8	-169.4	-63.2	162.6	0	0	0	112.4	M449 F451 V465 I469 T487 R515 F516 N522 V523 I524	M449-I520 HydrophobicContact CG-CG2 4.13Å; F451-I520 HydrophobicContact CD2-CD1 4.08Å; F451-I520 HydrophobicContact CE1-CD1 4.22Å; F451-I520 HydrophobicContact CE2-CD1 3.5Å; F451-I520 HydrophobicContact CZ-CD1 3.59Å; V465-I520 HydrophobicContact CG1-CD1 4.1Å; V465-I520 HydrophobicContact CG1-CG1 3.92Å; I469-I520 HydrophobicContact CD1-CG2 4.11Å; I469-I520 HydrophobicContact CG1-CG1 4.15Å; I469-I520 HydrophobicContact CG1-CG2 4.02Å; I469-I520 HydrophobicContact CG2-CG2 4.42Å; T487-I520 HydrophobicContact CG2-CB 4.45Å; T487-I520 HydrophobicContact CG2-CG2 3.89Å; R515-I520 HydrophobicContact CG-CD1 4.1Å; R515-I520 WeakPolarHBondContact O-CG1 3.21Å; R515-I520 PolarHBondContact O-N 2.82Å; F516-I520 HydrophobicContact CD1-CD1 3.63Å; F516-I520 HydrophobicContact CE1-CD1 3.8Å; F516-I520 HydrophobicContact CG-CD1 4.42Å; I520-N522 VanDerWaalsContact C-N 3.35Å; I520-N522 PolarHBondContact O-N 3.29Å; I520-V523 PolarHBondContact O-N 2.99Å; I520-I524 HydrophobicContact CG2-CD1 3.76Å; I520-I524 HydrophobicContact CG2-CG1 4.35Å; I520-I524 WeakPolarHBondContact O-CG1 3.47Å; I520-I524 PolarHBondContact O-N 3.04Å
521	F	98.1	Very high	93.9	Very high	23 Å²	23	31.7 Å²	31.7	10%	0.101	16%	0.163	C	C	.	.	I	π-helix	trans	-56.5	-46.1	178.5	174.4	-101.3	0	0	0	112.5	T487 F516 S519 I524 N525 C547 I549 E559	T487-F521 HydrophobicContact CG2-CB 3.93Å; F516-F521 WeakPolarHBondContact O-CB 3.34Å; F516-F521 PolarHBondContact O-N 3.15Å; S519-F521 PolarHBondContact O-N 2.8Å; F521-I524 PolarHBondContact O-N 3.35Å; F521-N525 WeakPolarHBondContact CD1-ND2 3.45Å; F521-N525 WeakPolarHBondContact CE1-ND2 3.29Å; F521-N525 WeakPolarHBondContact CE2-ND2 3.38Å; F521-N525 WeakPolarHBondContact CZ-ND2 3.44Å; F521-N525 PolarHBondContact O-N 2.95Å; F521-N525 PolarHBondContact O-ND2 3.35Å; F521-N525 VanDerWaalsContact O-ND2 3.08Å; F521-C547 HydrophobicContact CD2-CB 3.99Å; F521-C547 HydrophobicContact CE2-CB 4.02Å; F521-I549 HydrophobicContact CB-CG1 4.43Å; F521-I549 HydrophobicContact CD2-CG1 3.72Å; F521-I549 HydrophobicContact CE2-CG1 4.08Å; F521-I549 HydrophobicContact CG-CG1 4.03Å; F521-E559 HydrophobicContact CE1-CG 4.36Å; F521-E559 VanDerWaalsContact CE2-CD 3.47Å; F521-E559 HydrophobicContact CE2-CG 3.92Å; F521-E559 VanDerWaalsContact CE2-OE1 3.23Å; F521-E559 WeakPolarHBondContact CE2-OE1 3Å; F521-E559 HydrophobicContact CZ-CG 3.66Å
522	N	96.2	Very high	91.7	Very high	73 Å²	73	31.6 Å²	31.6	39%	0.39	17%	0.165	S	C	.	.	H	α-helix	trans	-62.6	-45.2	177.8	-74.4	-18.2	0	0	0	111.5	E518 S519 I520 I524 N525 D526	E518-N522 PolarHBondContact O-ND2 2.99Å; S519-N522 PolarHBondContact O-N 3.47Å; I520-N522 VanDerWaalsContact C-N 3.35Å; I520-N522 PolarHBondContact O-N 3.29Å; N522-I524 PolarHBondContact O-N 2.73Å; N522-N525 PolarHBondContact O-N 2.89Å; N522-D526 WeakPolarHBondContact O-CB 2.99Å; N522-D526 VanDerWaalsContact O-CG 3.29Å; N522-D526 PolarHBondContact O-N 2.76Å
523	V	96.6	Very high	89	Confident	3 Å²	3	36 Å²	36	2%	0.018	20%	0.196	C	C	.	.	H	α-helix	trans	-61.8	-44.7	178.3	173.7	0	0	0	0	111.4	E466 I469 R470 S519 I520 N525 D526 E527	E466-V523 HydrophobicContact CB-CG2 4.04Å; E466-V523 HydrophobicContact CG-CG2 3.85Å; I469-V523 HydrophobicContact CB-CG1 3.89Å; I469-V523 HydrophobicContact CG2-CB 4.1Å; I469-V523 HydrophobicContact CG2-CG1 3.63Å; R470-V523 HydrophobicContact CB-CG1 4.36Å; R470-V523 HydrophobicContact CG-CG1 3.35Å; S519-V523 WeakPolarHBondContact O-CG2 3.32Å; S519-V523 PolarHBondContact O-N 3.26Å; I520-V523 PolarHBondContact O-N 2.99Å; V523-N525 VanDerWaalsContact C-N 3.32Å; V523-N525 PolarHBondContact O-N 2.78Å; V523-D526 PolarHBondContact O-N 2.85Å; V523-E527 HydrophobicContact CG1-CG 4.26Å; V523-E527 WeakPolarHBondContact O-CB 3.26Å; V523-E527 VanDerWaalsContact O-CG 3.23Å; V523-E527 WeakPolarHBondContact O-CG 3.48Å; V523-E527 PolarHBondContact O-N 3.48Å
524	I	97.8	Very high	86.4	Confident	1 Å²	1	36.7 Å²	36.7	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-59.3	-46.4	176.8	-66.4	170	0	0	0	110.4	M449 I469 I473 W485 T487 I520 F521 N522 E527 E528 C547	M449-I524 HydrophobicContact CG-CD1 3.72Å; M449-I524 HydrophobicContact SD-CD1 4.11Å; I469-I524 HydrophobicContact CG2-CD1 4.28Å; I469-I524 HydrophobicContact CG2-CG1 3.46Å; I469-I524 VanDerWaalsContact CG2-CG1 3.46Å; I473-I524 HydrophobicContact CD1-CG1 4.04Å; I473-I524 HydrophobicContact CD1-CG2 4.08Å; I473-I524 HydrophobicContact CG1-CB 4.45Å; I473-I524 HydrophobicContact CG1-CG1 3.98Å; I473-I524 HydrophobicContact CG1-CG2 4.39Å; W485-I524 HydrophobicContact CB-CD1 4.49Å; W485-I524 HydrophobicContact CB-CG2 3.9Å; W485-I524 HydrophobicContact CG-CG2 3.83Å; T487-I524 HydrophobicContact CG2-CD1 4.25Å; I520-I524 HydrophobicContact CG2-CD1 3.76Å; I520-I524 HydrophobicContact CG2-CG1 4.35Å; I520-I524 WeakPolarHBondContact O-CG1 3.47Å; I520-I524 PolarHBondContact O-N 3.04Å; F521-I524 PolarHBondContact O-N 3.35Å; N522-I524 PolarHBondContact O-N 2.73Å; I524-E527 PolarHBondContact O-N 3.3Å; I524-E528 VanDerWaalsContact O-CB 3.22Å; I524-E528 WeakPolarHBondContact O-CB 3.08Å; I524-E528 PolarHBondContact O-N 3Å; I524-C547 HydrophobicContact CB-CB 4.43Å; I524-C547 VanDerWaalsContact CD1-SG 3.58Å; I524-C547 HydrophobicContact CG2-CB 3.81Å
525	N	95.7	Very high	84.2	Confident	33 Å²	33	37.7 Å²	37.7	18%	0.176	21%	0.211	C	C	.	.	H	α-helix	trans	-64.4	-42.5	179.3	-71.3	-37.7	0	0	0	112.1	F521 N522 V523 E527 N529	F521-N525 WeakPolarHBondContact CD1-ND2 3.45Å; F521-N525 WeakPolarHBondContact CE1-ND2 3.29Å; F521-N525 WeakPolarHBondContact CE2-ND2 3.38Å; F521-N525 WeakPolarHBondContact CZ-ND2 3.44Å; F521-N525 PolarHBondContact O-N 2.95Å; F521-N525 PolarHBondContact O-ND2 3.35Å; F521-N525 VanDerWaalsContact O-ND2 3.08Å; N522-N525 PolarHBondContact O-N 2.89Å; V523-N525 VanDerWaalsContact C-N 3.32Å; V523-N525 PolarHBondContact O-N 2.78Å; N525-E527 VanDerWaalsContact C-N 3.3Å; N525-E527 PolarHBondContact O-N 3.36Å; N525-N529 VanDerWaalsContact O-CB 3.3Å; N525-N529 WeakPolarHBondContact O-CB 3.21Å; N525-N529 PolarHBondContact O-N 2.82Å; N525-N529 PolarHBondContact O-ND2 3.24Å
526	D	93.4	Very high	81.6	Confident	96 Å²	96	47.5 Å²	47.5	51%	0.513	25%	0.248	S	C	.	.	H	α-helix	trans	-60	-43.5	176.2	-73.3	-17.1	0	0	0	111	N522 V523 G530	N522-D526 WeakPolarHBondContact O-CB 2.99Å; N522-D526 VanDerWaalsContact O-CG 3.29Å; N522-D526 PolarHBondContact O-N 2.76Å; V523-D526 PolarHBondContact O-N 2.85Å; D526-G530 PolarHBondContact O-N 2.51Å
527	E	93.7	Very high	78.9	Confident	15 Å²	15	58.5 Å²	58.5	7%	0.07	29%	0.289	C	S	.	.	H	α-helix	trans	-73.8	-37.3	-178.1	-66.8	-66	142.9	0	0	113	K237 R470 I473 V523 I524 N525	K237-E527 WeakPolarHBondContact CE-O 3.43Å; K237-E527 WeakPolarHBondContact CE-OE2 3.45Å; K237-E527 PolarHBondContact NZ-O 3.39Å; K237-E527 IonicContact NZ-OE2 3.59Å; K237-E527 PolarHBondContact NZ-OE2 2.86Å; R470-E527 HydrophobicContact CB-CG 4.25Å; R470-E527 HydrophobicContact CG-CG 3.9Å; R470-E527 WeakPolarHBondContact CG-OE1 3.23Å; I473-E527 HydrophobicContact CB-CB 3.87Å; I473-E527 HydrophobicContact CG2-CB 3.51Å; V523-E527 HydrophobicContact CG1-CG 4.26Å; V523-E527 WeakPolarHBondContact O-CB 3.26Å; V523-E527 VanDerWaalsContact O-CG 3.23Å; V523-E527 WeakPolarHBondContact O-CG 3.48Å; V523-E527 PolarHBondContact O-N 3.48Å; I524-E527 PolarHBondContact O-N 3.3Å; N525-E527 VanDerWaalsContact C-N 3.3Å; N525-E527 PolarHBondContact O-N 3.36Å
528	E	94.3	Very high	76.5	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-69.8	-33.4	175.8	-178.2	67.4	-152.2	0	0	112.1	H477 W485 I524 Y542 P544 R545	H477-E528 IonicContact CD2-OE2 3.15Å; H477-E528 PolarHBondContact NE2-O 3.22Å; H477-E528 IonicContact NE2-OE1 2.78Å; H477-E528 IonicContact NE2-OE2 3.78Å; W485-E528 PolarHBondContact NE1-OE2 2.92Å; I524-E528 VanDerWaalsContact O-CB 3.22Å; I524-E528 WeakPolarHBondContact O-CB 3.08Å; I524-E528 PolarHBondContact O-N 3Å; E528-Y542 PolarHBondContact OE1-OH 2.64Å; E528-P544 HydrophobicContact CG-CB 3.64Å; E528-R545 VanDerWaalsContact CD-NH1 3.35Å; E528-R545 HydrophobicContact CG-CB 4.24Å; E528-R545 WeakPolarHBondContact OE1-CB 3.35Å; E528-R545 VanDerWaalsContact OE1-CG 3.24Å; E528-R545 WeakPolarHBondContact OE1-CG 3.34Å; E528-R545 IonicContact OE1-CZ 2.74Å; E528-R545 PolarHBondContact OE1-N 3.28Å; E528-R545 IonicContact OE1-NH1 2.84Å; E528-R545 PolarHBondContact OE1-NH1 2.88Å; E528-R545 WeakPolarHBondContact OE2-CD 3.4Å; E528-R545 IonicContact OE2-CZ 3.31Å; E528-R545 IonicContact OE2-NH1 3.56Å; E528-R545 PolarHBondContact OE2-NH1 2.58Å
529	N	89.9	Confident	74.5	Confident	59 Å²	59	67.4 Å²	67.4	32%	0.316	34%	0.34	S	S	.	.	H	α-helix	trans	-83.8	-22.5	178.1	-74.5	-66.9	0	0	0	113.7	N525 R535 P544	N525-N529 VanDerWaalsContact O-CB 3.3Å; N525-N529 WeakPolarHBondContact O-CB 3.21Å; N525-N529 PolarHBondContact O-N 2.82Å; N525-N529 PolarHBondContact O-ND2 3.24Å; N529-R535 WeakPolarHBondContact O-CD 3.47Å; N529-R535 PolarHBondContact O-NH1 3.08Å; N529-P544 WeakPolarHBondContact OD1-CB 3.38Å; N529-P544 WeakPolarHBondContact OD1-CG 3.5Å
530	G	80	Confident	72.9	Confident	14 Å²	14	69.1 Å²	69.1	14%	0.144	35%	0.352	C	S	.	.			trans	74.8	160	-177.4	0	0	0	0	0	114.1	Y239 D526	Y239-G530 WeakPolarHBondContact OH-CA 3.28Å; D526-G530 PolarHBondContact O-N 2.51Å
531	Q	63.2	Low	72	Confident	158 Å²	158	74.7 Å²	74.7	74%	0.738	38%	0.376	S	S	*	.			trans	-94.5	0.3	-171.9	-69.7	-174.1	-2.5	0	0	115.5	S533	Q531-S533 PolarHBondContact O-N 3.38Å; Q531-S533 VanDerWaalsContact O-N 3.14Å
532	S	51.8	Low	71.5	Confident	28 Å²	28	74.1 Å²	74.1	20%	0.196	37%	0.373	C	S	.	.			trans	-58.5	123.3	-173.4	-177.8	0	0	0	0	111.6	A534 R535	S532-A534 PolarHBondContact O-N 2.96Å; S532-A534 PolarHBondContact OG-N 3.48Å; S532-R535 WeakPolarHBondContact O-CB 3.21Å; S532-R535 PolarHBondContact O-N 2.97Å
533	S	40.2	Very low	71.2	Confident	96 Å²	96	74.3 Å²	74.3	67%	0.671	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-20.4	173.1	43.6	0	0	0	0	113.4	Q531 R535	Q531-S533 PolarHBondContact O-N 3.38Å; Q531-S533 VanDerWaalsContact O-N 3.14Å; S533-R535 VanDerWaalsContact C-N 3.31Å
534	A	42.4	Very low	71	Confident	61 Å²	61	76.6 Å²	76.6	50%	0.504	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-29.4	170.9	0	0	0	0	0	113.2	S532 E538	S532-A534 PolarHBondContact O-N 2.96Å; S532-A534 PolarHBondContact OG-N 3.48Å; A534-E538 PolarHBondContact O-N 3.19Å
535	R	51	Low	70.8	Confident	41 Å²	41	76.9 Å²	76.9	16%	0.155	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-13.4	-178.5	-63.1	-177.5	-173.2	176.3	2.2	113.9	Y239 E253 N529 S532 S533 W537 E538	Y239-R535 VanDerWaalsContact CG-NH2 3.3Å; Y239-R535 VanDerWaalsContact CZ-NH1 3.29Å; E253-R535 IonicContact OE2-CZ 3.32Å; E253-R535 IonicContact OE2-NE 2.95Å; E253-R535 IonicContact OE2-NH2 2.71Å; E253-R535 PolarHBondContact OE2-NH2 3.12Å; N529-R535 WeakPolarHBondContact O-CD 3.47Å; N529-R535 PolarHBondContact O-NH1 3.08Å; S532-R535 WeakPolarHBondContact O-CB 3.21Å; S532-R535 PolarHBondContact O-N 2.97Å; S533-R535 VanDerWaalsContact C-N 3.31Å; R535-W537 VanDerWaalsContact C-N 3.32Å; R535-E538 CarbonylContact C-O 3.52Å; R535-E538 VanDerWaalsContact O-O 3.13Å
536	R	42.7	Very low	70.9	Confident	215 Å²	215	77.4 Å²	77.4	81%	0.811	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-18.2	178.5	-151.5	179.3	-89.2	164.4	-7.1	112.2
537	W	41.7	Very low	71.1	Confident	234 Å²	234	72.9 Å²	72.9	89%	0.886	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.3	-28.1	-177.4	-61.1	106	0	0	0	114.3	R535	R535-W537 VanDerWaalsContact C-N 3.32Å
538	E	47.1	Very low	71.3	Confident	127 Å²	127	72.2 Å²	72.2	59%	0.593	36%	0.359	S	S	*	.	S	Bend	trans	-104.8	139	168.8	-70.9	-173.6	170.1	0	0	110.2	A534 R535 S540	A534-E538 PolarHBondContact O-N 3.19Å; R535-E538 CarbonylContact C-O 3.52Å; R535-E538 VanDerWaalsContact O-O 3.13Å; E538-S540 PolarHBondContact O-N 2.78Å
539	V	54.2	Low	71.5	Confident	139 Å²	139	72.4 Å²	72.4	84%	0.842	36%	0.36	S	S	*	.			trans	-51.5	112	170.8	-178	0	0	0	0	107.9	K541	V539-K541 PolarHBondContact O-N 2.66Å; V539-K541 VanDerWaalsContact O-N 3.11Å
540	S	62.7	Low	71.9	Confident	36 Å²	36	69.8 Å²	69.8	25%	0.252	35%	0.345	S	S	.	.			trans	-46.7	121.8	177.9	170.7	0	0	0	0	109.7	E538 Y542	E538-S540 PolarHBondContact O-N 2.78Å; S540-Y542 PolarHBondContact O-N 3.27Å; S540-Y542 PolarHBondContact OG-N 2.73Å; S540-Y542 PolarHBondContact OG-O 2.88Å
541	K	79.2	Confident	72.8	Confident	116 Å²	116	69.1 Å²	69.1	50%	0.504	34%	0.339	S	S	.	.	S	Bend	trans	-68.5	-24.5	177.1	-65.3	172	-175.1	156.2	0	111.6	Y241 V539	Y241-K541 VanDerWaalsContact CB-O 3.28Å; Y241-K541 WeakPolarHBondContact CB-O 3.49Å; Y241-K541 HydrophobicContact CD1-CB 4.38Å; Y241-K541 HydrophobicContact CD2-CB 3.51Å; Y241-K541 HydrophobicContact CD2-CD 4.27Å; Y241-K541 HydrophobicContact CD2-CG 4.48Å; Y241-K541 HydrophobicContact CE2-CB 3.66Å; Y241-K541 HydrophobicContact CE2-CD 3.64Å; Y241-K541 HydrophobicContact CE2-CG 4.28Å; Y241-K541 HydrophobicContact CG-CB 3.89Å; V539-K541 PolarHBondContact O-N 2.66Å; V539-K541 VanDerWaalsContact O-N 3.11Å
542	Y	88.1	Confident	74.4	Confident	12 Å²	12	61.6 Å²	61.6	5%	0.047	30%	0.303	C	S	.	.	S	Bend	trans	-77.2	132.8	173.5	174	-111.4	0	0	0	111.1	Y239 A240 E528 S540 P544	Y239-Y542 AromaticContact CD1-CD1 3.62Å; Y239-Y542 HydrophobicContact CD1-CD1 3.62Å; Y239-Y542 HydrophobicContact CD1-CD2 4.38Å; Y239-Y542 AromaticContact CD1-CE1 3.75Å; Y239-Y542 HydrophobicContact CD1-CE1 3.75Å; Y239-Y542 AromaticContact CD1-CG 3.95Å; Y239-Y542 HydrophobicContact CD1-CG 3.95Å; Y239-Y542 HydrophobicContact CE1-CD1 4.35Å; Y239-Y542 HydrophobicContact CE1-CE1 4.31Å; Y239-Y542 HydrophobicContact CG-CG 4.49Å; A240-Y542 WeakPolarHBondContact O-CD2 3.25Å; E528-Y542 PolarHBondContact OE1-OH 2.64Å; S540-Y542 PolarHBondContact O-N 3.27Å; S540-Y542 PolarHBondContact OG-N 2.73Å; S540-Y542 PolarHBondContact OG-O 2.88Å; Y542-P544 HydrophobicContact CD1-CB 4.49Å; Y542-P544 VanDerWaalsContact CE1-CA 3.45Å; Y542-P544 HydrophobicContact CE1-CB 4.1Å; Y542-P544 WeakPolarHBondContact O-CD 3.12Å
543	K	88.7	Confident	76.6	Confident	76 Å²	76	60.3 Å²	60.3	33%	0.33	30%	0.295	S	S	.	.			trans	-89.3	106.7	170.9	-68.8	179.4	178.3	173.4	0	109.1	E348	E348-K543 HydrophobicContact CG-CD 4.06Å; E348-K543 WeakPolarHBondContact OE1-CD 3.49Å; E348-K543 IonicContact OE1-NZ 2.89Å; E348-K543 PolarHBondContact OE1-NZ 2.65Å
544	P	92.3	Very high	79.3	Confident	51 Å²	51	56.1 Å²	56.1	33%	0.331	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-64.9	148.9	179.5	29.8	-37.6	0	0	0	111.7	E528 N529 Y542	E528-P544 HydrophobicContact CG-CB 3.64Å; N529-P544 WeakPolarHBondContact OD1-CB 3.38Å; N529-P544 WeakPolarHBondContact OD1-CG 3.5Å; Y542-P544 HydrophobicContact CD1-CB 4.49Å; Y542-P544 VanDerWaalsContact CE1-CA 3.45Å; Y542-P544 HydrophobicContact CE1-CB 4.1Å; Y542-P544 WeakPolarHBondContact O-CD 3.12Å
545	R	95.5	Very high	81.9	Confident	8 Å²	8	53.4 Å²	53.4	3%	0.03	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-58.9	150.9	167.2	-62.6	168.9	-172.2	96.4	0.4	109.9	V347 H477 H479 I482 E528	V347-R545 HydrophobicContact CG1-CG 3.96Å; H477-R545 PolarHBondContact O-NH1 3.02Å; H477-R545 PolarHBondContact O-NH2 3.01Å; H479-R545 PolarHBondContact O-NH2 2.85Å; I482-R545 VanDerWaalsContact O-CD 3.3Å; I482-R545 WeakPolarHBondContact O-CD 3.4Å; I482-R545 PolarHBondContact O-NE 3.5Å; E528-R545 VanDerWaalsContact CD-NH1 3.35Å; E528-R545 HydrophobicContact CG-CB 4.24Å; E528-R545 WeakPolarHBondContact OE1-CB 3.35Å; E528-R545 VanDerWaalsContact OE1-CG 3.24Å; E528-R545 WeakPolarHBondContact OE1-CG 3.34Å; E528-R545 IonicContact OE1-CZ 2.74Å; E528-R545 PolarHBondContact OE1-N 3.28Å; E528-R545 IonicContact OE1-NH1 2.84Å; E528-R545 PolarHBondContact OE1-NH1 2.88Å; E528-R545 WeakPolarHBondContact OE2-CD 3.4Å; E528-R545 IonicContact OE2-CZ 3.31Å; E528-R545 IonicContact OE2-NH1 3.56Å; E528-R545 PolarHBondContact OE2-NH1 2.58Å
546	R	96.4	Very high	84	Confident	44 Å²	44	55.9 Å²	55.9	17%	0.166	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	136.4	170.7	-168.4	81.5	172.8	92.8	-8.9	110.4	L349 E351 V484 W485 L548 E559	L349-R546 HydrophobicContact CB-CB 3.97Å; L349-R546 HydrophobicContact CB-CG 4.18Å; L349-R546 HydrophobicContact CD2-CB 4.22Å; L349-R546 HydrophobicContact CD2-CG 3.62Å; E351-R546 IonicContact OE2-CZ 3.85Å; E351-R546 IonicContact OE2-NE 3.5Å; E351-R546 PolarHBondContact OE2-NE 3.17Å; E351-R546 VanDerWaalsContact OE2-NE 3.07Å; E351-R546 IonicContact OE2-NH2 3.94Å; E351-R546 PolarHBondContact OE2-NH2 3.19Å; V484-R546 WeakPolarHBondContact CA-O 3.33Å; V484-R546 HydrophobicContact CG2-CB 4.3Å; V484-R546 WeakPolarHBondContact CG2-O 3.34Å; W485-R546 PolarHBondContact N-O 3.16Å; R546-L548 HydrophobicContact CG-CD2 4.16Å; R546-E559 VanDerWaalsContact CZ-CD 3.46Å; R546-E559 IonicContact CZ-OE1 3.51Å; R546-E559 IonicContact CZ-OE2 2.7Å; R546-E559 IonicContact NH1-OE1 3.86Å; R546-E559 PolarHBondContact NH1-OE1 2.97Å; R546-E559 IonicContact NH1-OE2 2.97Å; R546-E559 PolarHBondContact NH1-OE2 3.35Å; R546-E559 IonicContact NH2-OE1 3.31Å; R546-E559 PolarHBondContact NH2-OE1 2.91Å; R546-E559 IonicContact NH2-OE2 3.68Å; R546-E559 PolarHBondContact NH2-OE2 3.06Å
547	C	98	Very high	86.5	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	131.4	156	-171.4	0	0	0	0	109.4	W485 F521 I524 E559	W485-C547 HydrophobicContact CB-CB 4.25Å; W485-C547 CarbonylContact O-C 3.47Å; W485-C547 WeakPolarHBondContact O-CA 3.32Å; F521-C547 HydrophobicContact CD2-CB 3.99Å; F521-C547 HydrophobicContact CE2-CB 4.02Å; I524-C547 HydrophobicContact CB-CB 4.43Å; I524-C547 VanDerWaalsContact CD1-SG 3.58Å; I524-C547 HydrophobicContact CG2-CB 3.81Å; C547-E559 VanDerWaalsContact O-OE1 3.1Å
548	L	98.4	Very high	89.1	Confident	2 Å²	2	35.7 Å²	35.7	1%	0.01	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	137.4	169.6	-58.2	173	0	0	0	108.4	L349 F365 W446 V484 W485 S486 T487 R546 S550	L349-L548 HydrophobicContact CD2-CD2 3.86Å; F365-L548 HydrophobicContact CE2-CD2 3.98Å; F365-L548 HydrophobicContact CZ-CD1 3.96Å; F365-L548 HydrophobicContact CZ-CD2 4.12Å; W446-L548 HydrophobicContact CH2-CD1 3.25Å; W446-L548 HydrophobicContact CZ2-CD1 3.29Å; W446-L548 HydrophobicContact CZ3-CD1 4.04Å; V484-L548 HydrophobicContact CG2-CD1 3.85Å; V484-L548 HydrophobicContact CG2-CG 3.84Å; W485-L548 PolarHBondContact O-N 3.22Å; S486-L548 WeakPolarHBondContact CA-O 3.39Å; T487-L548 WeakPolarHBondContact CG2-O 3.35Å; T487-L548 PolarHBondContact N-O 3.04Å; R546-L548 HydrophobicContact CG-CD2 4.16Å; L548-S550 VanDerWaalsContact C-N 3.34Å
549	I	98.3	Very high	91.5	Very high	4 Å²	4	31.7 Å²	31.7	2%	0.021	16%	0.16	C	C	.	.	S	Bend	trans	-65.2	-38	177.7	-75.1	174.7	0	0	0	111.2	T487 D488 F512 V517 F521 T558 E559	T487-I549 WeakPolarHBondContact CB-O 3.33Å; T487-I549 PolarHBondContact OG1-O 3.21Å; D488-I549 VanDerWaalsContact OD2-O 3.08Å; F512-I549 HydrophobicContact CE1-CG2 3.84Å; F512-I549 HydrophobicContact CZ-CG2 3.8Å; V517-I549 HydrophobicContact CB-CD1 4.5Å; V517-I549 HydrophobicContact CG1-CD1 3.98Å; V517-I549 HydrophobicContact CG2-CD1 3.91Å; V517-I549 HydrophobicContact CG2-CG1 4.42Å; V517-I549 HydrophobicContact CG2-CG2 3.85Å; F521-I549 HydrophobicContact CB-CG1 4.43Å; F521-I549 HydrophobicContact CD2-CG1 3.72Å; F521-I549 HydrophobicContact CE2-CG1 4.08Å; F521-I549 HydrophobicContact CG-CG1 4.03Å; I549-T558 HydrophobicContact CB-CG2 3.73Å; I549-T558 HydrophobicContact CD1-CG2 4.17Å; I549-T558 HydrophobicContact CG2-CG2 3.73Å; I549-E559 HydrophobicContact CD1-CB 4.16Å; I549-E559 HydrophobicContact CD1-CG 3.33Å; I549-E559 HydrophobicContact CG1-CG 3.77Å
550	S	98.1	Very high	93.4	Very high	3 Å²	3	31.1 Å²	31.1	2%	0.021	15%	0.146	C	C	.	.	S	Bend	trans	-156.1	157.9	179.1	-170.9	0	0	0	0	109.5	D488 K492 L548 P552 G553	D488-S550 PolarHBondContact OD1-OG 3.22Å; D488-S550 WeakPolarHBondContact OD2-CA 3.42Å; D488-S550 WeakPolarHBondContact OD2-CB 3.32Å; D488-S550 PolarHBondContact OD2-OG 2.91Å; K492-S550 WeakPolarHBondContact CB-OG 3.27Å; L548-S550 VanDerWaalsContact C-N 3.34Å; S550-P552 CarbonylContact C-O 3.47Å; S550-P552 CarbonylContact O-C 3.57Å; S550-G553 PolarHBondContact O-N 3.16Å
551	S	98.2	Very high	95	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	16%	0.155	C	C	.	.	B	Isolated β-bridge	trans	-127.7	110.1	173.3	-176.5	0	0	0	0	107.9	R422 W446 D488 N489 E490 D575 H577	R422-S551 PolarHBondContact NH2-OG 3.46Å; W446-S551 WeakPolarHBondContact CZ2-OG 3.27Å; D488-S551 PolarHBondContact O-N 3.2Å; N489-S551 CarbonylContact C-O 3.6Å; N489-S551 WeakPolarHBondContact CA-O 3.32Å; E490-S551 PolarHBondContact N-O 3.1Å; S551-D575 PolarHBondContact OG-OD2 2.76Å; S551-H577 PolarHBondContact O-CE1 3.25Å; S551-H577 PolarHBondContact O-NE2 2.95Å; S551-H577 PolarHBondContact OG-NE2 3.01Å
552	P	98.1	Very high	95.8	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	15%	0.152	C	C	.	.	S	Bend	cis	-75.4	156.1	4.1	33.5	-34.3	0	0	0	112.3	Q493 S550 E569 D575 H577	Q493-P552 HydrophobicContact CB-CG 4.02Å; Q493-P552 HydrophobicContact CG-CG 4.17Å; S550-P552 CarbonylContact C-O 3.47Å; S550-P552 CarbonylContact O-C 3.57Å; P552-E569 HydrophobicContact CB-CG 4.44Å; P552-E569 HydrophobicContact CG-CG 3.96Å; P552-D575 WeakPolarHBondContact CA-OD2 3.31Å; P552-D575 WeakPolarHBondContact CB-O 3.49Å; P552-H577 HydrophobicContact CG-CB 4.32Å
553	G	97	Very high	96	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.01	15%	0.15	C	C	.	.	B	Isolated β-bridge	trans	-163.5	160.7	174.7	0	0	0	0	0	111.8	S550 G555 P568 G574 D575	S550-G553 PolarHBondContact O-N 3.16Å; G553-G555 PolarHBondContact O-N 3.49Å; G553-P568 PolarHBondContact N-O 3.09Å; G553-G574 VanDerWaalsContact O-CA 3.24Å; G553-G574 WeakPolarHBondContact O-CA 3.46Å; G553-D575 PolarHBondContact N-O 2.9Å; G553-D575 PolarHBondContact N-OD1 2.94Å; G553-D575 PolarHBondContact O-N 2.75Å; G553-D575 VanDerWaalsContact O-N 3.16Å
554	N	97.6	Very high	96.2	Very high	8 Å²	8	33.6 Å²	33.6	4%	0.043	15%	0.152	C	C	.	.			trans	-81.5	25.3	-178.2	-67	-47.4	0	0	0	113.2	Y556 L557 T558 D565 P566 D567 N570	N554-Y556 PolarHBondContact O-N 3.01Å; N554-L557 HydrophobicContact CB-CB 3.89Å; N554-L557 PolarHBondContact O-N 3.39Å; N554-L557 VanDerWaalsContact O-N 3.08Å; N554-T558 PolarHBondContact N-OG1 3.15Å; N554-D565 PolarHBondContact ND2-OD2 2.65Å; N554-P566 PolarHBondContact ND2-O 3.4Å; N554-D567 PolarHBondContact ND2-O 3.01Å; N554-D567 PolarHBondContact OD1-O 3.37Å; N554-N570 WeakPolarHBondContact OD1-CB 3.37Å
555	G	96.2	Very high	96.2	Very high	5 Å²	5	31.3 Å²	31.3	5%	0.052	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	-122.2	-178.2	0	0	0	0	0	112.8	E351 G553 L557 T558 E559	E351-G555 VanDerWaalsContact OE1-CA 3.28Å; E351-G555 WeakPolarHBondContact OE1-CA 3.49Å; G553-G555 PolarHBondContact O-N 3.49Å; G555-L557 PolarHBondContact O-N 2.73Å; G555-L557 VanDerWaalsContact O-N 3.12Å; G555-T558 WeakPolarHBondContact O-CB 3.25Å; G555-T558 PolarHBondContact O-N 3.26Å; G555-E559 PolarHBondContact O-N 2.75Å
556	Y	95.7	Very high	95.7	Very high	93 Å²	93	35.1 Å²	35.1	37%	0.365	16%	0.163	S	C	.	.	H	α-helix	trans	-50.4	-35.8	177.6	174.2	-95.2	0	0	0	113.6	E351 R363 N554 E559 K560	E351-Y556 PolarHBondContact OE1-N 2.75Å; R363-Y556 VanDerWaalsContact CZ-CD1 3.45Å; N554-Y556 PolarHBondContact O-N 3.01Å; Y556-E559 PolarHBondContact O-N 3.08Å; Y556-K560 HydrophobicContact CE1-CB 4.32Å; Y556-K560 HydrophobicContact CE1-CD 4.14Å; Y556-K560 WeakPolarHBondContact O-CB 3.4Å; Y556-K560 PolarHBondContact O-N 3.46Å
557	L	95.5	Very high	95.5	Very high	23 Å²	23	36.5 Å²	36.5	12%	0.12	17%	0.174	C	C	.	.	H	α-helix	trans	-67.3	-40.1	178.9	-69.4	-175.6	0	0	0	111.4	N554 G555 E559 K560 F561 Y573	N554-L557 HydrophobicContact CB-CB 3.89Å; N554-L557 PolarHBondContact O-N 3.39Å; N554-L557 VanDerWaalsContact O-N 3.08Å; G555-L557 PolarHBondContact O-N 2.73Å; G555-L557 VanDerWaalsContact O-N 3.12Å; L557-E559 PolarHBondContact O-N 3.28Å; L557-K560 HydrophobicContact CD2-CD 4.43Å; L557-K560 PolarHBondContact O-N 3.04Å; L557-K560 VanDerWaalsContact O-N 3.14Å; L557-F561 HydrophobicContact CB-CD2 4.31Å; L557-F561 HydrophobicContact CB-CE2 4.46Å; L557-F561 HydrophobicContact CD2-CE2 4.27Å; L557-F561 WeakPolarHBondContact O-CD2 3.05Å; L557-F561 PolarHBondContact O-N 3.49Å; L557-Y573 HydrophobicContact CD1-CD1 3.52Å; L557-Y573 HydrophobicContact CD1-CD2 3.87Å; L557-Y573 HydrophobicContact CD1-CE1 3.53Å; L557-Y573 HydrophobicContact CD1-CE2 3.88Å; L557-Y573 HydrophobicContact CD1-CG 3.7Å; L557-Y573 HydrophobicContact CG-CD1 4.19Å; L557-Y573 HydrophobicContact CG-CE1 4.39Å
558	T	96.7	Very high	95.4	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.012	17%	0.174	C	C	.	.	H	α-helix	trans	-58.6	-38.3	177.3	-59	0	0	0	0	111.3	K492 I549 N554 G555 F561 R562 G563 D565	K492-T558 HydrophobicContact CD-CG2 4.07Å; I549-T558 HydrophobicContact CB-CG2 3.73Å; I549-T558 HydrophobicContact CD1-CG2 4.17Å; I549-T558 HydrophobicContact CG2-CG2 3.73Å; N554-T558 PolarHBondContact N-OG1 3.15Å; G555-T558 WeakPolarHBondContact O-CB 3.25Å; G555-T558 PolarHBondContact O-N 3.26Å; T558-F561 CarbonylContact O-C 3.52Å; T558-R562 PolarHBondContact O-N 2.77Å; T558-G563 PolarHBondContact O-N 3.49Å; T558-D565 WeakPolarHBondContact CA-OD1 3.45Å; T558-D565 WeakPolarHBondContact CB-OD1 3.36Å; T558-D565 WeakPolarHBondContact CG2-OD1 3.39Å; T558-D565 PolarHBondContact OG1-OD1 3.06Å; T558-D565 PolarHBondContact OG1-OD2 3.4Å
559	E	96	Very high	95.2	Very high	42 Å²	42	38.7 Å²	38.7	20%	0.196	18%	0.184	C	C	.	.	H	α-helix	trans	-69.6	-45.2	173	-82.3	166.4	-140	0	0	114.2	F521 R546 C547 I549 G555 Y556 L557 F561 R562	F521-E559 HydrophobicContact CE1-CG 4.36Å; F521-E559 VanDerWaalsContact CE2-CD 3.47Å; F521-E559 HydrophobicContact CE2-CG 3.92Å; F521-E559 VanDerWaalsContact CE2-OE1 3.23Å; F521-E559 WeakPolarHBondContact CE2-OE1 3Å; F521-E559 HydrophobicContact CZ-CG 3.66Å; R546-E559 VanDerWaalsContact CZ-CD 3.46Å; R546-E559 IonicContact CZ-OE1 3.51Å; R546-E559 IonicContact CZ-OE2 2.7Å; R546-E559 IonicContact NH1-OE1 3.86Å; R546-E559 PolarHBondContact NH1-OE1 2.97Å; R546-E559 IonicContact NH1-OE2 2.97Å; R546-E559 PolarHBondContact NH1-OE2 3.35Å; R546-E559 IonicContact NH2-OE1 3.31Å; R546-E559 PolarHBondContact NH2-OE1 2.91Å; R546-E559 IonicContact NH2-OE2 3.68Å; R546-E559 PolarHBondContact NH2-OE2 3.06Å; C547-E559 VanDerWaalsContact O-OE1 3.1Å; I549-E559 HydrophobicContact CD1-CB 4.16Å; I549-E559 HydrophobicContact CD1-CG 3.33Å; I549-E559 HydrophobicContact CG1-CG 3.77Å; G555-E559 PolarHBondContact O-N 2.75Å; Y556-E559 PolarHBondContact O-N 3.08Å; L557-E559 PolarHBondContact O-N 3.28Å; E559-F561 PolarHBondContact O-N 3.35Å; E559-R562 WeakPolarHBondContact O-CA 3.4Å; E559-R562 PolarHBondContact O-N 2.86Å
560	K	95.7	Very high	95	Very high	128 Å²	128	40.4 Å²	40.4	56%	0.557	19%	0.194	S	C	*	.	H	α-helix	trans	-55.6	-39.3	176.7	-177.5	179.3	176.9	-178.3	0	111.5	Y556 L557 R562	Y556-K560 HydrophobicContact CE1-CB 4.32Å; Y556-K560 HydrophobicContact CE1-CD 4.14Å; Y556-K560 WeakPolarHBondContact O-CB 3.4Å; Y556-K560 PolarHBondContact O-N 3.46Å; L557-K560 HydrophobicContact CD2-CD 4.43Å; L557-K560 PolarHBondContact O-N 3.04Å; L557-K560 VanDerWaalsContact O-N 3.14Å; K560-R562 VanDerWaalsContact C-N 3.34Å
561	F	95.5	Very high	94.8	Very high	102 Å²	102	42.3 Å²	42.3	45%	0.447	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	6.4	177	-67.8	-72.4	0	0	0	113.5	L557 T558 E559 G563 L564 D565	L557-F561 HydrophobicContact CB-CD2 4.31Å; L557-F561 HydrophobicContact CB-CE2 4.46Å; L557-F561 HydrophobicContact CD2-CE2 4.27Å; L557-F561 WeakPolarHBondContact O-CD2 3.05Å; L557-F561 PolarHBondContact O-N 3.49Å; T558-F561 CarbonylContact O-C 3.52Å; E559-F561 PolarHBondContact O-N 3.35Å; F561-G563 VanDerWaalsContact C-N 3.28Å; F561-G563 PolarHBondContact O-N 3.23Å; F561-L564 VanDerWaalsContact O-CB 3.27Å; F561-L564 WeakPolarHBondContact O-CB 3.24Å; F561-L564 PolarHBondContact O-N 3.29Å; F561-D565 HydrophobicContact CB-CB 3.82Å; F561-D565 HydrophobicContact CD2-CB 3.7Å; F561-D565 HydrophobicContact CG-CB 4Å
562	R	95	Very high	94.6	Very high	117 Å²	117	44.8 Å²	44.8	44%	0.442	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	42.7	178.6	-53.7	-175	66	-166	-6.3	113	V517 E518 T558 E559 K560 L564	V517-R562 HydrophobicContact CG1-CB 4.3Å; E518-R562 IonicContact OE1-CZ 3.78Å; E518-R562 IonicContact OE1-NH2 2.65Å; E518-R562 PolarHBondContact OE1-NH2 2.96Å; T558-R562 PolarHBondContact O-N 2.77Å; E559-R562 WeakPolarHBondContact O-CA 3.4Å; E559-R562 PolarHBondContact O-N 2.86Å; K560-R562 VanDerWaalsContact C-N 3.34Å; R562-L564 VanDerWaalsContact C-N 3.32Å
563	G	92.9	Very high	94.5	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.5	2	-178.7	0	0	0	0	0	115.2	K492 T558 F561	K492-G563 WeakPolarHBondContact CE-O 3.42Å; T558-G563 PolarHBondContact O-N 3.49Å; F561-G563 VanDerWaalsContact C-N 3.28Å; F561-G563 PolarHBondContact O-N 3.23Å
564	L	93.1	Very high	94.5	Very high	72 Å²	72	46.7 Å²	46.7	38%	0.377	23%	0.226	S	C	.	.			trans	-102	5.9	-173.9	-53.8	176.1	0	0	0	114	L509 K513 F561 R562	L509-L564 HydrophobicContact CB-CD2 4.12Å; K513-L564 HydrophobicContact CD-CD1 4.31Å; K513-L564 HydrophobicContact CD-CG 4.48Å; F561-L564 VanDerWaalsContact O-CB 3.27Å; F561-L564 WeakPolarHBondContact O-CB 3.24Å; F561-L564 PolarHBondContact O-N 3.29Å; R562-L564 VanDerWaalsContact C-N 3.32Å
565	D	92.6	Very high	94.5	Very high	3 Å²	3	46.3 Å²	46.3	2%	0.016	22%	0.224	C	C	.	.			trans	-61.3	140.3	174.3	55.3	-57.9	0	0	0	111.3	K492 N554 T558 F561	K492-D565 WeakPolarHBondContact CE-OD1 3.27Å; K492-D565 PolarHBondContact NZ-O 3.46Å; K492-D565 IonicContact NZ-OD1 3.87Å; K492-D565 PolarHBondContact NZ-OD1 2.99Å; K492-D565 IonicContact NZ-OD2 3.83Å; K492-D565 PolarHBondContact NZ-OD2 3.37Å; N554-D565 PolarHBondContact ND2-OD2 2.65Å; T558-D565 WeakPolarHBondContact CA-OD1 3.45Å; T558-D565 WeakPolarHBondContact CB-OD1 3.36Å; T558-D565 WeakPolarHBondContact CG2-OD1 3.39Å; T558-D565 PolarHBondContact OG1-OD1 3.06Å; T558-D565 PolarHBondContact OG1-OD2 3.4Å; F561-D565 HydrophobicContact CB-CB 3.82Å; F561-D565 HydrophobicContact CD2-CB 3.7Å; F561-D565 HydrophobicContact CG-CB 4Å
566	P	85.4	Confident	94.5	Very high	89 Å²	89	46.3 Å²	46.3	58%	0.578	22%	0.223	S	C	*	.	S	Bend	trans	-70.3	156.7	174.5	32.2	-35.5	0	0	0	111.4	M504 N554	M504-P566 HydrophobicContact CE-CB 4.12Å; N554-P566 PolarHBondContact ND2-O 3.4Å
567	D	92.4	Very high	94.6	Very high	73 Å²	73	42 Å²	42	39%	0.39	21%	0.206	S	C	.	.			trans	48.7	84.9	172.2	-178.4	19.2	0	0	0	113.8	N554 E569 N570	N554-D567 PolarHBondContact ND2-O 3.01Å; N554-D567 PolarHBondContact OD1-O 3.37Å; D567-E569 PolarHBondContact O-N 2.83Å; D567-E569 VanDerWaalsContact O-N 3.11Å; D567-E569 PolarHBondContact OD1-N 2.95Å; D567-E569 VanDerWaalsContact OD1-N 3.09Å; D567-N570 PolarHBondContact O-N 3.4Å
568	P	95.1	Very high	94.7	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-6.8	176.7	26.1	-29.7	0	0	0	113.8	K492 Q493 A496 G553	K492-P568 HydrophobicContact CD-CB 4.35Å; K492-P568 HydrophobicContact CG-CB 4.37Å; Q493-P568 HydrophobicContact CB-CG 4.12Å; Q493-P568 HydrophobicContact CG-CG 4.37Å; A496-P568 VanDerWaalsContact CB-CD 3.47Å; A496-P568 HydrophobicContact CB-CG 3.75Å; G553-P568 PolarHBondContact N-O 3.09Å
569	E	93.9	Very high	94.6	Very high	48 Å²	48	46.3 Å²	46.3	22%	0.224	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.6	20.3	-177.5	-65.2	179	86.8	0	0	112.7	Q493 N497 P552 D567 P571 I576	Q493-E569 HydrophobicContact CG-CG 4.35Å; Q493-E569 PolarHBondContact NE2-OE1 2.83Å; Q493-E569 PolarHBondContact NE2-OE2 3.37Å; N497-E569 PolarHBondContact ND2-OE2 2.9Å; P552-E569 HydrophobicContact CB-CG 4.44Å; P552-E569 HydrophobicContact CG-CG 3.96Å; D567-E569 PolarHBondContact O-N 2.83Å; D567-E569 VanDerWaalsContact O-N 3.11Å; D567-E569 PolarHBondContact OD1-N 2.95Å; D567-E569 VanDerWaalsContact OD1-N 3.09Å; E569-P571 VanDerWaalsContact O-CD 3.26Å; E569-P571 WeakPolarHBondContact O-CD 3.5Å; E569-P571 VanDerWaalsContact O-N 3.15Å; E569-I576 WeakPolarHBondContact O-CG2 3.23Å
570	N	94.7	Very high	94.6	Very high	40 Å²	40	45.5 Å²	45.5	21%	0.214	22%	0.219	C	C	.	.			trans	-65.7	116.8	-178.4	-171.3	-37.5	0	0	0	110.7	N554 D567 L572 Y573	N554-N570 WeakPolarHBondContact OD1-CB 3.37Å; D567-N570 PolarHBondContact O-N 3.4Å; N570-L572 PolarHBondContact O-N 3.37Å; N570-L572 VanDerWaalsContact OD1-CB 3.28Å; N570-L572 WeakPolarHBondContact OD1-CB 3.33Å; N570-L572 WeakPolarHBondContact OD1-CG 3.46Å; N570-L572 PolarHBondContact OD1-N 2.91Å; N570-Y573 HydrophobicContact CB-CD2 4.23Å; N570-Y573 PolarHBondContact O-N 2.66Å; N570-Y573 VanDerWaalsContact O-N 3.17Å; N570-Y573 VanDerWaalsContact O-O 3.06Å
571	P	93.8	Very high	94.5	Very high	42 Å²	42	41.7 Å²	41.7	27%	0.273	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-6.6	-174.5	26.7	-35.3	0	0	0	114.6	E569 I576 V592 L593 G594 R595	E569-P571 VanDerWaalsContact O-CD 3.26Å; E569-P571 WeakPolarHBondContact O-CD 3.5Å; E569-P571 VanDerWaalsContact O-N 3.15Å; P571-I576 HydrophobicContact CB-CD1 4.39Å; P571-V592 HydrophobicContact CB-CG1 4.09Å; P571-V592 HydrophobicContact CG-CG1 4.41Å; P571-L593 VanDerWaalsContact CB-O 3.3Å; P571-L593 WeakPolarHBondContact CB-O 3.36Å; P571-G594 WeakPolarHBondContact O-CA 3.39Å; P571-R595 PolarHBondContact O-N 2.76Å; P571-R595 PolarHBondContact O-NH1 2.03Å
572	L	93.4	Very high	94.3	Very high	52 Å²	52	40.7 Å²	40.7	27%	0.272	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-9.9	179.1	-59.4	179.3	0	0	0	113.9	R363 N570 R595	R363-L572 PolarHBondContact N-O 3.23Å; N570-L572 PolarHBondContact O-N 3.37Å; N570-L572 VanDerWaalsContact OD1-CB 3.28Å; N570-L572 WeakPolarHBondContact OD1-CB 3.33Å; N570-L572 WeakPolarHBondContact OD1-CG 3.46Å; N570-L572 PolarHBondContact OD1-N 2.91Å; L572-R595 PolarHBondContact O-NE 3.01Å
573	Y	95.5	Very high	94	Very high	40 Å²	40	37.2 Å²	37.2	16%	0.157	21%	0.208	C	C	.	.	S	Bend	trans	-139	159.1	-175.8	-53.7	-78.5	0	0	0	110.2	R363 L557 N570	R363-Y573 HydrophobicContact CB-CD1 3.96Å; R363-Y573 HydrophobicContact CB-CE1 4.34Å; R363-Y573 HydrophobicContact CG-CD1 4.13Å; R363-Y573 HydrophobicContact CG-CE1 4.12Å; L557-Y573 HydrophobicContact CD1-CD1 3.52Å; L557-Y573 HydrophobicContact CD1-CD2 3.87Å; L557-Y573 HydrophobicContact CD1-CE1 3.53Å; L557-Y573 HydrophobicContact CD1-CE2 3.88Å; L557-Y573 HydrophobicContact CD1-CG 3.7Å; L557-Y573 HydrophobicContact CG-CD1 4.19Å; L557-Y573 HydrophobicContact CG-CE1 4.39Å; N570-Y573 HydrophobicContact CB-CD2 4.23Å; N570-Y573 PolarHBondContact O-N 2.66Å; N570-Y573 VanDerWaalsContact O-N 3.17Å; N570-Y573 VanDerWaalsContact O-O 3.06Å
574	G	97	Very high	93.9	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.01	23%	0.226	C	C	.	.	S	Bend	trans	56.6	-142.9	162.3	0	0	0	0	0	116.2	F365 G553 R595	F365-G574 WeakPolarHBondContact CB-O 3.43Å; F365-G574 WeakPolarHBondContact CG-O 3.48Å; G553-G574 VanDerWaalsContact O-CA 3.24Å; G553-G574 WeakPolarHBondContact O-CA 3.46Å; G574-R595 WeakPolarHBondContact O-CB 3.36Å
575	D	98.1	Very high	93.8	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-122.3	151.2	175.1	71	-72.2	0	0	0	111.8	F365 W446 S551 P552 G553 F596 S598	F365-D575 HydrophobicContact CE1-CB 4.31Å; F365-D575 HydrophobicContact CZ-CB 4.4Å; W446-D575 HydrophobicContact CH2-CB 4.04Å; S551-D575 PolarHBondContact OG-OD2 2.76Å; P552-D575 WeakPolarHBondContact CA-OD2 3.31Å; P552-D575 WeakPolarHBondContact CB-O 3.49Å; G553-D575 PolarHBondContact N-O 2.9Å; G553-D575 PolarHBondContact N-OD1 2.94Å; G553-D575 PolarHBondContact O-N 2.75Å; G553-D575 VanDerWaalsContact O-N 3.16Å; D575-F596 CarbonylContact C-O 3.48Å; D575-F596 VanDerWaalsContact CA-O 3.3Å; D575-F596 WeakPolarHBondContact CA-O 3.43Å; D575-F596 HydrophobicContact CB-CB 4.01Å; D575-F596 HydrophobicContact CB-CD1 3.83Å; D575-F596 HydrophobicContact CB-CG 4.29Å; D575-S598 WeakPolarHBondContact OD2-CB 3.32Å; D575-S598 PolarHBondContact OD2-OG 3.18Å
576	I	97.4	Very high	93.8	Very high	4 Å²	4	39.8 Å²	39.8	2%	0.021	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	149.7	-178.9	71.3	174.2	0	0	0	111.4	E569 P571 V592 F596 I597 S598	E569-I576 WeakPolarHBondContact O-CG2 3.23Å; P571-I576 HydrophobicContact CB-CD1 4.39Å; I576-V592 HydrophobicContact CD1-CG1 4.35Å; I576-F596 PolarHBondContact N-O 2.96Å; I576-I597 HydrophobicContact CD1-CD1 3.56Å; I576-I597 HydrophobicContact CG1-CD1 3.42Å; I576-I597 VanDerWaalsContact CG1-CD1 3.42Å; I576-I597 WeakPolarHBondContact O-CA 3.02Å; I576-S598 PolarHBondContact O-N 3.45Å; I576-S598 PolarHBondContact O-OG 2.75Å
577	H	97.5	Very high	94.1	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.009	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	118.9	170.8	-69	-158.7	0	0	0	107.7	N489 E490 S551 P552 Y579 S598 E599	N489-H577 PolarHBondContact OD1-CE1 3.48Å; E490-H577 VanDerWaalsContact CG-CE1 3.45Å; E490-H577 WeakPolarHBondContact CG-CE1 3.41Å; E490-H577 VanDerWaalsContact CG-ND1 3.26Å; E490-H577 WeakPolarHBondContact CG-ND1 3.23Å; E490-H577 IonicContact OE1-CE1 3.34Å; E490-H577 IonicContact OE1-CG 2.68Å; E490-H577 IonicContact OE1-ND1 3.67Å; E490-H577 PolarHBondContact OE1-ND1 2.92Å; S551-H577 PolarHBondContact O-CE1 3.25Å; S551-H577 PolarHBondContact O-NE2 2.95Å; S551-H577 PolarHBondContact OG-NE2 3.01Å; P552-H577 HydrophobicContact CG-CB 4.32Å; H577-Y579 HydrophobicContact CB-CE2 4.49Å; H577-S598 PolarHBondContact CD2-OG 3.3Å; H577-S598 PolarHBondContact NE2-OG 2.79Å; H577-E599 HydrophobicContact CB-CB 3.98Å; H577-E599 IonicContact CE1-OE1 3.35Å; H577-E599 PolarHBondContact CE1-OE1 3.24Å; H577-E599 VanDerWaalsContact ND1-CD 3.31Å; H577-E599 IonicContact ND1-OE1 3.59Å; H577-E599 IonicContact ND1-OE2 2.78Å; H577-E599 IonicContact NE2-OE1 2.82Å
578	Y	96.2	Very high	94	Very high	50 Å²	50	33.3 Å²	33.3	20%	0.196	18%	0.178	C	C	.	.			trans	-125.7	110.2	-173.7	-169.7	-99.8	0	0	0	112.5	T580 N590 F591 V592 E599 F600	Y578-T580 HydrophobicContact CE1-CG2 3.83Å; Y578-N590 PolarHBondContact OH-O 3.12Å; Y578-F591 HydrophobicContact CD1-CD1 4.27Å; Y578-F591 HydrophobicContact CE1-CB 4.24Å; Y578-F591 AromaticContact CE1-CD1 3.86Å; Y578-F591 HydrophobicContact CE1-CD1 3.86Å; Y578-V592 HydrophobicContact CD2-CB 3.99Å; Y578-V592 HydrophobicContact CD2-CG2 4.14Å; Y578-V592 HydrophobicContact CE1-CB 4.49Å; Y578-V592 HydrophobicContact CE2-CB 3.72Å; Y578-V592 HydrophobicContact CE2-CG2 3.38Å; Y578-V592 HydrophobicContact CG-CB 4.49Å; Y578-E599 PolarHBondContact N-O 3.42Å; Y578-F600 WeakPolarHBondContact O-CA 3.17Å; Y578-F600 VanDerWaalsContact O-CB 3.3Å; Y578-F600 WeakPolarHBondContact O-CB 3.49Å
579	Y	95.5	Very high	93.6	Very high	66 Å²	66	35.8 Å²	35.8	26%	0.259	20%	0.196	S	C	.	.			trans	-121.2	129.2	175.9	-64.6	-85.9	0	0	0	110.8	H577 Y581 E599 W714 W725	H577-Y579 HydrophobicContact CB-CE2 4.49Å; Y579-Y581 WeakPolarHBondContact CD1-OH 3.44Å; Y579-E599 HydrophobicContact CE2-CB 3.97Å; Y579-E599 PolarHBondContact OH-OE2 2.78Å; Y579-W714 HydrophobicContact CE1-CB 4.26Å; Y579-W714 WeakPolarHBondContact OH-CB 3.12Å; Y579-W725 AromaticContact CE1-NE1 3.91Å
580	T	95.1	Very high	93.4	Very high	25 Å²	25	35.3 Å²	35.3	15%	0.153	20%	0.195	C	C	.	.			trans	-138.6	136.1	170.3	-178.2	0	0	0	0	110.3	Y578 S582 L585 F591	Y578-T580 HydrophobicContact CE1-CG2 3.83Å; T580-S582 PolarHBondContact OG1-O 3.03Å; T580-L585 HydrophobicContact CG2-CD2 3.99Å; T580-L585 WeakPolarHBondContact O-CD2 3.45Å; T580-F591 HydrophobicContact CG2-CD1 3.89Å; T580-F591 HydrophobicContact CG2-CE1 3.71Å
581	Y	94.3	Very high	93.3	Very high	49 Å²	49	33.8 Å²	33.8	19%	0.192	19%	0.187	C	C	.	.			trans	-122.4	14.8	-178.8	-51.8	-53	0	0	0	112	Y579 H637 L639 M643 L646 W725	Y579-Y581 WeakPolarHBondContact CD1-OH 3.44Å; Y581-H637 AromaticContact CE2-CE1 3.75Å; Y581-H637 AromaticContact CE2-NE2 3.48Å; Y581-H637 WeakPolarHBondContact CE2-NE2 3.35Å; Y581-H637 AromaticContact CZ-NE2 3.87Å; Y581-L639 HydrophobicContact CD2-CD1 3.92Å; Y581-L639 HydrophobicContact CG-CD1 4.16Å; Y581-M643 HydrophobicContact CD1-CE 3.74Å; Y581-M643 HydrophobicContact CD1-SD 3.85Å; Y581-M643 HydrophobicContact CD2-SD 4.47Å; Y581-M643 HydrophobicContact CE1-CE 3.58Å; Y581-M643 HydrophobicContact CE1-SD 4.23Å; Y581-M643 HydrophobicContact CG-CE 4.42Å; Y581-M643 HydrophobicContact CG-SD 3.99Å; Y581-L646 WeakPolarHBondContact O-CD2 3.28Å; Y581-W725 WeakPolarHBondContact OH-CZ2 3.44Å; Y581-W725 PolarHBondContact OH-NE1 3.02Å
582	S	91.5	Very high	93.1	Very high	80 Å²	80	34.4 Å²	34.4	56%	0.559	19%	0.189	S	C	*	.	S	Bend	trans	-128.8	165.8	178.4	64	0	0	0	0	110.5	T580 N590	T580-S582 PolarHBondContact OG1-O 3.03Å; S582-N590 PolarHBondContact O-ND2 3.17Å
583	G	89	Confident	93	Very high	44 Å²	44	33 Å²	33	45%	0.454	18%	0.182	S	C	.	.	S	Bend	trans	74.1	-167.3	-176	0	0	0	0	0	113.7	L585 Y650	G583-L585 PolarHBondContact O-N 3.48Å; G583-Y650 PolarHBondContact O-OH 3.34Å; G583-Y650 VanDerWaalsContact O-OH 3.08Å
584	D	90.3	Very high	92.9	Very high	71 Å²	71	31.1 Å²	31.1	38%	0.38	18%	0.175	S	C	.	.			trans	-85.7	95.4	179.2	-176.1	-6.4	0	0	0	110.3	W586 S587 N590 Y650	D584-W586 PolarHBondContact O-N 2.85Å; D584-W586 WeakPolarHBondContact OD1-CA 3.38Å; D584-W586 WeakPolarHBondContact OD1-CB 3.39Å; D584-W586 PolarHBondContact OD1-N 3.38Å; D584-S587 WeakPolarHBondContact O-CB 3.22Å; D584-S587 PolarHBondContact O-N 3.02Å; D584-S587 PolarHBondContact OD1-N 3.25Å; D584-N590 WeakPolarHBondContact O-CB 3.3Å; D584-Y650 WeakPolarHBondContact CA-OH 3.19Å; D584-Y650 VanDerWaalsContact OD1-CE1 3.31Å; D584-Y650 WeakPolarHBondContact OD1-CE1 3.24Å
585	L	92.2	Very high	92.9	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.01	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-9.9	-179.3	-56.7	175.3	0	0	0	113.2	T580 G583 F591 I602 L646 Y650 C678	T580-L585 HydrophobicContact CG2-CD2 3.99Å; T580-L585 WeakPolarHBondContact O-CD2 3.45Å; G583-L585 PolarHBondContact O-N 3.48Å; L585-F591 HydrophobicContact CB-CZ 4.46Å; L585-F591 HydrophobicContact CD2-CE1 4.49Å; L585-F591 HydrophobicContact CD2-CZ 4.42Å; L585-F591 WeakPolarHBondContact O-CE2 3.45Å; L585-F591 WeakPolarHBondContact O-CZ 3.48Å; L585-I602 HydrophobicContact CD1-CD1 3.63Å; L585-L646 HydrophobicContact CD1-CD1 4.41Å; L585-Y650 PolarHBondContact N-OH 2.54Å; L585-C678 VanDerWaalsContact CB-SG 3.53Å
586	W	92.1	Very high	92.9	Very high	57 Å²	57	31.4 Å²	31.4	22%	0.216	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-5.1	173.2	-67.6	19.7	0	0	0	111.7	D584 Y650 I651 N674 M677 T681 I849	D584-W586 PolarHBondContact O-N 2.85Å; D584-W586 WeakPolarHBondContact OD1-CA 3.38Å; D584-W586 WeakPolarHBondContact OD1-CB 3.39Å; D584-W586 PolarHBondContact OD1-N 3.38Å; W586-Y650 HydrophobicContact CB-CD1 4.49Å; W586-Y650 HydrophobicContact CB-CE1 4.36Å; W586-Y650 AromaticContact CD2-CD1 3.85Å; W586-Y650 HydrophobicContact CD2-CD1 3.85Å; W586-Y650 HydrophobicContact CD2-CE1 4.48Å; W586-Y650 AromaticContact CD2-CG 3.88Å; W586-Y650 HydrophobicContact CD2-CG 3.88Å; W586-Y650 AromaticContact CE2-CD2 3.94Å; W586-Y650 AromaticContact CE2-CG 3.58Å; W586-Y650 HydrophobicContact CE3-CD1 4.27Å; W586-Y650 HydrophobicContact CE3-CG 4.42Å; W586-Y650 AromaticContact CG-CD1 3.95Å; W586-Y650 HydrophobicContact CG-CD1 3.95Å; W586-Y650 HydrophobicContact CG-CE1 4.1Å; W586-Y650 HydrophobicContact CG-CG 4.23Å; W586-Y650 HydrophobicContact CH2-CG 4.49Å; W586-Y650 VanDerWaalsContact CZ2-CB 3.41Å; W586-Y650 HydrophobicContact CZ2-CD2 4.38Å; W586-Y650 AromaticContact CZ2-CG 3.93Å; W586-Y650 HydrophobicContact CZ2-CG 3.93Å; W586-Y650 AromaticContact NE1-CD2 3.58Å; W586-Y650 AromaticContact NE1-CG 3.69Å; W586-I651 HydrophobicContact CH2-CD1 4.49Å; W586-I651 HydrophobicContact CH2-CG1 4.08Å; W586-I651 HydrophobicContact CZ2-CD1 4.15Å; W586-I651 HydrophobicContact CZ2-CG1 4.1Å; W586-N674 PolarHBondContact NE1-OD1 3Å; W586-M677 HydrophobicContact CD2-CB 3.82Å; W586-M677 HydrophobicContact CD2-CE 4.21Å; W586-M677 HydrophobicContact CD2-CG 4.15Å; W586-M677 VanDerWaalsContact CE2-CB 3.42Å; W586-M677 HydrophobicContact CE3-CE 4.02Å; W586-M677 HydrophobicContact CE3-CG 4.45Å; W586-M677 HydrophobicContact CG-CB 4.02Å; W586-M677 HydrophobicContact CH2-CG 4.02Å; W586-M677 HydrophobicContact CZ2-CB 3.86Å; W586-M677 HydrophobicContact CZ2-CG 3.67Å; W586-M677 HydrophobicContact CZ3-CE 4.36Å; W586-M677 HydrophobicContact CZ3-CG 4.4Å; W586-T681 WeakPolarHBondContact O-CG2 3.44Å; W586-T681 PolarHBondContact O-OG1 3.36Å; W586-T681 VanDerWaalsContact O-OG1 3.11Å; W586-I849 HydrophobicContact CH2-CD1 3.96Å; W586-I849 HydrophobicContact CZ3-CD1 4.25Å
587	S	90.6	Very high	92.9	Very high	11 Å²	11	31.2 Å²	31.2	8%	0.077	17%	0.174	C	C	.	.	S	Bend	trans	-100.8	131.2	176.5	-175.9	0	0	0	0	112.4	D584 S589 N590 F591	D584-S587 WeakPolarHBondContact O-CB 3.22Å; D584-S587 PolarHBondContact O-N 3.02Å; D584-S587 PolarHBondContact OD1-N 3.25Å; S587-S589 PolarHBondContact O-N 2.87Å; S587-S589 PolarHBondContact OG-N 3.42Å; S587-S589 PolarHBondContact OG-OG 3.21Å; S587-N590 WeakPolarHBondContact O-CB 3.09Å; S587-N590 PolarHBondContact O-N 3.33Å; S587-F591 WeakPolarHBondContact O-CD2 3.17Å; S587-F591 WeakPolarHBondContact O-CE2 3.16Å
588	E	91	Very high	92.9	Very high	14 Å²	14	31.1 Å²	31.1	7%	0.065	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-60.6	-24.9	172.8	-70.1	-168	178	0	0	112.9	N590 F591 T681 L685 R688 Q757	E588-N590 PolarHBondContact O-N 3.36Å; E588-F591 PolarHBondContact O-N 3.31Å; E588-T681 HydrophobicContact CB-CG2 4.39Å; E588-T681 HydrophobicContact CG-CG2 3.83Å; E588-L685 HydrophobicContact CB-CB 4.35Å; E588-L685 HydrophobicContact CB-CD1 4.16Å; E588-L685 HydrophobicContact CG-CB 3.95Å; E588-L685 HydrophobicContact CG-CD1 4.47Å; E588-L685 PolarHBondContact OE1-N 2.82Å; E588-R688 IonicContact OE1-CZ 3.17Å; E588-R688 IonicContact OE1-NH1 3.37Å; E588-R688 PolarHBondContact OE1-NH1 3.18Å; E588-R688 IonicContact OE2-CZ 3.25Å; E588-R688 IonicContact OE2-NH1 2.73Å; E588-R688 PolarHBondContact OE2-NH1 3.18Å; E588-Q757 HydrophobicContact CG-CB 4.18Å
589	S	86.9	Confident	93	Very high	53 Å²	53	29 Å²	29	37%	0.371	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-64.4	-19.2	179.2	66	0	0	0	0	113.4	S587 F591	S587-S589 PolarHBondContact O-N 2.87Å; S587-S589 PolarHBondContact OG-N 3.42Å; S587-S589 PolarHBondContact OG-OG 3.21Å; S589-F591 VanDerWaalsContact C-N 3.35Å
590	N	90.1	Very high	93.1	Very high	38 Å²	38	25.8 Å²	25.8	20%	0.203	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-84	-10.1	-178.1	-159.6	62.5	0	0	0	113.5	Y578 S582 D584 S587 E588	Y578-N590 PolarHBondContact OH-O 3.12Å; S582-N590 PolarHBondContact O-ND2 3.17Å; D584-N590 WeakPolarHBondContact O-CB 3.3Å; S587-N590 WeakPolarHBondContact O-CB 3.09Å; S587-N590 PolarHBondContact O-N 3.33Å; E588-N590 PolarHBondContact O-N 3.36Å
591	F	92.4	Very high	93.3	Very high	8 Å²	8	24.8 Å²	24.8	4%	0.035	15%	0.148	C	C	.	.	S	Bend	trans	-111.6	148.6	-174.7	-56.3	-75.3	0	0	0	111.8	Y578 T580 L585 S587 E588 S589 T681 Q682 L685	Y578-F591 HydrophobicContact CD1-CD1 4.27Å; Y578-F591 HydrophobicContact CE1-CB 4.24Å; Y578-F591 AromaticContact CE1-CD1 3.86Å; Y578-F591 HydrophobicContact CE1-CD1 3.86Å; T580-F591 HydrophobicContact CG2-CD1 3.89Å; T580-F591 HydrophobicContact CG2-CE1 3.71Å; L585-F591 HydrophobicContact CB-CZ 4.46Å; L585-F591 HydrophobicContact CD2-CE1 4.49Å; L585-F591 HydrophobicContact CD2-CZ 4.42Å; L585-F591 WeakPolarHBondContact O-CE2 3.45Å; L585-F591 WeakPolarHBondContact O-CZ 3.48Å; S587-F591 WeakPolarHBondContact O-CD2 3.17Å; S587-F591 WeakPolarHBondContact O-CE2 3.16Å; E588-F591 PolarHBondContact O-N 3.31Å; S589-F591 VanDerWaalsContact C-N 3.35Å; F591-T681 HydrophobicContact CD2-CG2 4.05Å; F591-T681 HydrophobicContact CE2-CG2 3.64Å; F591-Q682 HydrophobicContact CB-CG 4.39Å; F591-Q682 HydrophobicContact CD1-CG 3.4Å; F591-Q682 HydrophobicContact CD2-CG 3.68Å; F591-Q682 HydrophobicContact CE1-CG 3.43Å; F591-Q682 VanDerWaalsContact CE1-CG 3.43Å; F591-Q682 HydrophobicContact CE2-CG 3.69Å; F591-Q682 HydrophobicContact CG-CG 3.55Å; F591-Q682 HydrophobicContact CZ-CG 3.58Å; F591-L685 HydrophobicContact CB-CD2 3.61Å
592	V	89.8	Confident	93.4	Very high	54 Å²	54	22.7 Å²	22.7	33%	0.327	14%	0.14	S	C	.	.			trans	-85	143	176.3	172.6	0	0	0	0	109.8	P571 I576 Y578 Y686	P571-V592 HydrophobicContact CB-CG1 4.09Å; P571-V592 HydrophobicContact CG-CG1 4.41Å; I576-V592 HydrophobicContact CD1-CG1 4.35Å; Y578-V592 HydrophobicContact CD2-CB 3.99Å; Y578-V592 HydrophobicContact CD2-CG2 4.14Å; Y578-V592 HydrophobicContact CE1-CB 4.49Å; Y578-V592 HydrophobicContact CE2-CB 3.72Å; Y578-V592 HydrophobicContact CE2-CG2 3.38Å; Y578-V592 HydrophobicContact CG-CB 4.49Å; V592-Y686 VanDerWaalsContact O-CE1 3.24Å; V592-Y686 WeakPolarHBondContact O-CE1 3.29Å; V592-Y686 PolarHBondContact O-OH 2.99Å
593	L	91.6	Very high	93.7	Very high	24 Å²	24	19.2 Å²	19.2	13%	0.126	12%	0.115	C	C	.	.			trans	-94.3	123	170.2	-77.7	169.7	0	0	0	109.8	P571 L685 Y686 H689 R694	P571-L593 VanDerWaalsContact CB-O 3.3Å; P571-L593 WeakPolarHBondContact CB-O 3.36Å; L593-L685 HydrophobicContact CD1-CD1 4.17Å; L593-L685 HydrophobicContact CD2-CD1 3.69Å; L593-L685 HydrophobicContact CD2-CD2 4.04Å; L593-L685 HydrophobicContact CD2-CG 3.56Å; L593-L685 HydrophobicContact CG-CD1 3.97Å; L593-L685 HydrophobicContact CG-CD2 4.26Å; L593-L685 HydrophobicContact CG-CG 4.17Å; L593-Y686 HydrophobicContact CD2-CD1 3.95Å; L593-Y686 HydrophobicContact CD2-CE1 4.3Å; L593-H689 HydrophobicContact CD1-CB 4.15Å; L593-H689 VanDerWaalsContact CD1-CD2 3.45Å; L593-H689 WeakPolarHBondContact CD1-CD2 3.43Å; L593-H689 HydrophobicContact CD2-CB 3.66Å; L593-R694 HydrophobicContact CD1-CB 3.59Å
594	G	93.1	Very high	94.1	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.094	C	C	.	.			trans	-117.7	174.9	173.2	0	0	0	0	0	112.4	P571 T708	P571-G594 WeakPolarHBondContact O-CA 3.39Å; G594-T708 WeakPolarHBondContact O-CB 3.03Å; G594-T708 PolarHBondContact O-OG1 3.02Å
595	R	95.8	Very high	94.4	Very high	7 Å²	7	14 Å²	14	3%	0.026	8%	0.077	C	C	.	.	S	Bend	trans	-68	-39	172.7	-61.1	-64.3	173.7	-95.7	3.6	111.9	L361 R363 F365 P571 L572 G574 I707 T708 M709	L361-R595 PolarHBondContact O-NH2 3.33Å; R363-R595 WeakPolarHBondContact O-CD 3.38Å; R363-R595 WeakPolarHBondContact O-CG 3.27Å; R363-R595 PolarHBondContact O-NE 3.05Å; F365-R595 HydrophobicContact CB-CB 3.79Å; P571-R595 PolarHBondContact O-N 2.76Å; P571-R595 PolarHBondContact O-NH1 2.03Å; L572-R595 PolarHBondContact O-NE 3.01Å; G574-R595 WeakPolarHBondContact O-CB 3.36Å; R595-I707 VanDerWaalsContact CA-O 3.27Å; R595-I707 WeakPolarHBondContact CA-O 3.02Å; R595-I707 WeakPolarHBondContact CD-O 3.05Å; R595-T708 CarbonylContact O-C 3.49Å; R595-T708 VanDerWaalsContact O-CA 3.3Å; R595-T708 WeakPolarHBondContact O-CA 3.28Å; R595-M709 PolarHBondContact O-N 3.29Å
596	F	97.8	Very high	94.7	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.076	C	C	.	.			trans	-151.1	134.4	177.2	-165	-77.7	0	0	0	108.8	F365 F367 I376 W446 D575 I576 I712	F365-F596 HydrophobicContact CD1-CB 3.49Å; F365-F596 VanDerWaalsContact CD1-CB 3.49Å; F365-F596 AromaticContact CD1-CD2 3.74Å; F365-F596 HydrophobicContact CD1-CD2 3.74Å; F365-F596 AromaticContact CD1-CG 3.79Å; F365-F596 HydrophobicContact CD1-CG 3.79Å; F365-F596 HydrophobicContact CE1-CB 3.9Å; F365-F596 HydrophobicContact CE1-CD1 4.4Å; F365-F596 AromaticContact CE1-CD2 3.87Å; F365-F596 HydrophobicContact CE1-CD2 3.87Å; F365-F596 HydrophobicContact CE1-CE2 4.46Å; F365-F596 AromaticContact CE1-CG 3.83Å; F365-F596 HydrophobicContact CE1-CG 3.83Å; F365-F596 HydrophobicContact CG-CB 4.38Å; F367-F596 HydrophobicContact CD2-CE2 4.25Å; F367-F596 AromaticContact CE2-CE2 3.95Å; F367-F596 HydrophobicContact CE2-CE2 3.95Å; F367-F596 HydrophobicContact CE2-CZ 4.39Å; I376-F596 HydrophobicContact CB-CE2 3.84Å; I376-F596 HydrophobicContact CB-CZ 3.98Å; I376-F596 HydrophobicContact CG1-CE2 3.73Å; I376-F596 HydrophobicContact CG1-CZ 4.1Å; I376-F596 HydrophobicContact CG2-CE2 4.29Å; I376-F596 HydrophobicContact CG2-CZ 3.9Å; W446-F596 HydrophobicContact CE3-CE1 4.26Å; W446-F596 HydrophobicContact CE3-CZ 4.26Å; W446-F596 HydrophobicContact CZ3-CD1 4.26Å; W446-F596 AromaticContact CZ3-CE1 3.73Å; W446-F596 HydrophobicContact CZ3-CE1 3.73Å; W446-F596 AromaticContact CZ3-CZ 3.96Å; W446-F596 HydrophobicContact CZ3-CZ 3.96Å; D575-F596 CarbonylContact C-O 3.48Å; D575-F596 VanDerWaalsContact CA-O 3.3Å; D575-F596 WeakPolarHBondContact CA-O 3.43Å; D575-F596 HydrophobicContact CB-CB 4.01Å; D575-F596 HydrophobicContact CB-CD1 3.83Å; D575-F596 HydrophobicContact CB-CG 4.29Å; I576-F596 PolarHBondContact N-O 2.96Å; F596-I712 HydrophobicContact CE1-CD1 3.54Å; F596-I712 HydrophobicContact CE1-CG1 3.75Å; F596-I712 HydrophobicContact CZ-CD1 3.78Å; F596-I712 HydrophobicContact CZ-CG1 3.96Å
597	I	98	Very high	94.9	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	104.9	177.5	-41.6	-63	0	0	0	107	I576 E599 F600 Y686 G710 T711 I712	I576-I597 HydrophobicContact CD1-CD1 3.56Å; I576-I597 HydrophobicContact CG1-CD1 3.42Å; I576-I597 VanDerWaalsContact CG1-CD1 3.42Å; I576-I597 WeakPolarHBondContact O-CA 3.02Å; I597-E599 WeakPolarHBondContact CG2-O 3.01Å; I597-F600 HydrophobicContact CB-CD1 4.24Å; I597-F600 HydrophobicContact CG2-CB 4.17Å; I597-F600 HydrophobicContact CG2-CD1 3.61Å; I597-F600 HydrophobicContact CG2-CE1 4.43Å; I597-F600 HydrophobicContact CG2-CG 4.24Å; I597-Y686 HydrophobicContact CB-CE2 4.22Å; I597-Y686 HydrophobicContact CD1-CE1 3.96Å; I597-Y686 HydrophobicContact CG1-CD1 3.95Å; I597-Y686 HydrophobicContact CG1-CD2 4.06Å; I597-Y686 HydrophobicContact CG1-CE1 3.65Å; I597-Y686 HydrophobicContact CG1-CE2 3.74Å; I597-Y686 HydrophobicContact CG1-CG 4.18Å; I597-Y686 HydrophobicContact CG2-CE2 4.3Å; I597-G710 PolarHBondContact N-O 3.43Å; I597-T711 CarbonylContact O-C 3.57Å; I597-T711 WeakPolarHBondContact O-CA 3.34Å; I597-I712 PolarHBondContact O-N 2.99Å
598	S	98.2	Very high	95.3	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	-17.1	-176.5	36.5	0	0	0	0	112.5	N380 D575 I576 H577 I712	N380-S598 PolarHBondContact ND2-O 3.48Å; D575-S598 WeakPolarHBondContact OD2-CB 3.32Å; D575-S598 PolarHBondContact OD2-OG 3.18Å; I576-S598 PolarHBondContact O-N 3.45Å; I576-S598 PolarHBondContact O-OG 2.75Å; H577-S598 PolarHBondContact CD2-OG 3.3Å; H577-S598 PolarHBondContact NE2-OG 2.79Å; S598-I712 CarbonylContact C-O 3.56Å; S598-I712 VanDerWaalsContact C-O 3.29Å; S598-I712 WeakPolarHBondContact O-CB 3.37Å; S598-I712 VanDerWaalsContact O-O 3.1Å
599	E	98.4	Very high	95.5	Very high	5 Å²	5	10.6 Å²	10.6	2%	0.023	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	137.9	169.8	-66.2	-164.2	-165.5	0	0	112.9	R422 N489 H577 Y578 Y579 I597 I712 W714	R422-E599 IonicContact CZ-OE1 3.88Å; R422-E599 IonicContact NH1-OE1 3.69Å; R422-E599 PolarHBondContact NH1-OE1 3.33Å; N489-E599 PolarHBondContact OD1-OE1 2.93Å; H577-E599 HydrophobicContact CB-CB 3.98Å; H577-E599 IonicContact CE1-OE1 3.35Å; H577-E599 PolarHBondContact CE1-OE1 3.24Å; H577-E599 VanDerWaalsContact ND1-CD 3.31Å; H577-E599 IonicContact ND1-OE1 3.59Å; H577-E599 IonicContact ND1-OE2 2.78Å; H577-E599 IonicContact NE2-OE1 2.82Å; Y578-E599 PolarHBondContact N-O 3.42Å; Y579-E599 HydrophobicContact CE2-CB 3.97Å; Y579-E599 PolarHBondContact OH-OE2 2.78Å; I597-E599 WeakPolarHBondContact CG2-O 3.01Å; E599-I712 WeakPolarHBondContact CA-O 3.38Å; E599-I712 PolarHBondContact N-O 3.12Å; E599-W714 HydrophobicContact CB-CB 4.48Å; E599-W714 HydrophobicContact CG-CE3 4.5Å
600	F	98	Very high	96	Very high	0 Å²	0	8 Å²	8	0%	0	5%	0.045	C	C	.	.			trans	-167.8	151.5	168.3	62.9	-80.3	0	0	0	109.6	Y578 I597 L679 Q682 I683 Y686 I712 Y713 W714	Y578-F600 WeakPolarHBondContact O-CA 3.17Å; Y578-F600 VanDerWaalsContact O-CB 3.3Å; Y578-F600 WeakPolarHBondContact O-CB 3.49Å; I597-F600 HydrophobicContact CB-CD1 4.24Å; I597-F600 HydrophobicContact CG2-CB 4.17Å; I597-F600 HydrophobicContact CG2-CD1 3.61Å; I597-F600 HydrophobicContact CG2-CE1 4.43Å; I597-F600 HydrophobicContact CG2-CG 4.24Å; F600-L679 HydrophobicContact CD2-CD2 4.01Å; F600-L679 HydrophobicContact CE2-CD2 3.81Å; F600-Q682 HydrophobicContact CD2-CB 3.89Å; F600-Q682 HydrophobicContact CD2-CG 4.34Å; F600-Q682 HydrophobicContact CE2-CB 3.82Å; F600-I683 HydrophobicContact CE2-CG1 4.18Å; F600-I683 HydrophobicContact CZ-CG1 3.96Å; F600-Y686 HydrophobicContact CD1-CE2 4.4Å; F600-Y686 HydrophobicContact CE1-CE2 4.39Å; F600-Y686 HydrophobicContact CZ-CE2 4.5Å; F600-I712 VanDerWaalsContact CD1-O 3.32Å; F600-I712 WeakPolarHBondContact CD1-O 3.46Å; F600-I712 WeakPolarHBondContact CE1-O 3.5Å; F600-Y713 CarbonylContact O-C 3.58Å; F600-Y713 WeakPolarHBondContact O-CA 3.26Å; F600-W714 PolarHBondContact O-N 2.78Å
601	G	97.2	Very high	96.4	Very high	4 Å²	4	6.3 Å²	6.3	4%	0.041	4%	0.036	C	C	.	.			trans	168.5	-174.2	171.3	0	0	0	0	0	114.5
602	I	97.1	Very high	96.6	Very high	4 Å²	4	6.4 Å²	6.4	2%	0.021	4%	0.038	C	C	.	.			trans	-145	150.5	172.6	-169.2	167.9	0	0	0	110.7	L585 M643 L646 Q675 C678 W725	L585-I602 HydrophobicContact CD1-CD1 3.63Å; I602-M643 HydrophobicContact CG1-CE 3.88Å; I602-L646 HydrophobicContact CD1-CD1 3.93Å; I602-Q675 HydrophobicContact CG2-CB 3.92Å; I602-Q675 HydrophobicContact CG2-CG 3.87Å; I602-Q675 WeakPolarHBondContact O-CG 3.38Å; I602-Q675 PolarHBondContact O-NE2 3.12Å; I602-C678 HydrophobicContact CG2-CB 3.75Å; I602-W725 VanDerWaalsContact N-CD1 3.26Å
603	Q	97.6	Very high	96.9	Very high	7 Å²	7	5.1 Å²	5.1	3%	0.033	3%	0.028	C	C	.	.			trans	-71.2	150.2	178.4	-63.6	-173.4	-31.9	0	0	113.5	M643 P723 S724 W725	Q603-M643 HydrophobicContact CB-CE 3.86Å; Q603-M643 HydrophobicContact CG-CE 3.77Å; Q603-P723 PolarHBondContact NE2-O 2.98Å; Q603-P723 VanDerWaalsContact NE2-O 3.16Å; Q603-S724 CarbonylContact C-O 3.43Å; Q603-S724 WeakPolarHBondContact CA-O 3.1Å; Q603-W725 HydrophobicContact CG-CD2 3.66Å; Q603-W725 HydrophobicContact CG-CE3 3.92Å; Q603-W725 HydrophobicContact CG-CG 4.25Å; Q603-W725 HydrophobicContact CG-CH2 4.11Å; Q603-W725 HydrophobicContact CG-CZ2 3.86Å; Q603-W725 HydrophobicContact CG-CZ3 4.13Å
604	S	97.6	Very high	97	Very high	3 Å²	3	4 Å²	4	2%	0.021	2%	0.022	C	C	.	.	B	Isolated β-bridge	trans	-139.7	162.2	162.1	62.2	0	0	0	0	109.8	Q675 P723 S724	S604-Q675 VanDerWaalsContact OG-CD 3.26Å; S604-Q675 PolarHBondContact OG-NE2 2.72Å; S604-Q675 PolarHBondContact OG-OE1 2.92Å; S604-Q675 VanDerWaalsContact OG-OE1 3.12Å; S604-P723 WeakPolarHBondContact O-CA 3.27Å; S604-S724 PolarHBondContact N-O 2.95Å; S604-S724 PolarHBondContact O-N 3.4Å
605	I	97.5	Very high	97.2	Very high	4 Å²	4	4.6 Å²	4.6	2%	0.021	3%	0.025	C	C	.	.	P	Polyproline II helix	trans	-81.7	157	179.1	74.6	175.8	0	0	0	111.3	V626 L644 Y664 W667 A668 S671 Q672 P723	I605-V626 HydrophobicContact CD1-CG1 3.71Å; I605-L644 HydrophobicContact CG2-CD1 4.1Å; I605-L644 HydrophobicContact CG2-CD2 4.48Å; I605-Y664 HydrophobicContact CD1-CE1 4.29Å; I605-Y664 HydrophobicContact CD1-CE2 4.05Å; I605-W667 HydrophobicContact CD1-CB 4.1Å; I605-A668 HydrophobicContact CD1-CB 4.01Å; I605-A668 VanDerWaalsContact CG1-CA 3.49Å; I605-A668 HydrophobicContact CG1-CB 3.86Å; I605-S671 WeakPolarHBondContact CG1-OG 3.21Å; I605-S671 PolarHBondContact N-OG 2.87Å; I605-Q672 PolarHBondContact O-NE2 3.29Å; I605-Q672 VanDerWaalsContact O-NE2 3.1Å; I605-P723 HydrophobicContact CG2-CB 4.5Å; I605-P723 HydrophobicContact CG2-CG 4.29Å
606	P	97.6	Very high	97.1	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	5%	0.051	C	C	.	.	P	Polyproline II helix	trans	-56.7	158.9	178.9	-25.5	34.8	0	0	0	113.6	A610 W611 Y664 A722	P606-A610 HydrophobicContact CB-CB 3.74Å; P606-W611 HydrophobicContact CG-CE3 4.27Å; P606-Y664 PolarHBondContact O-OH 3.12Å; P606-A722 WeakPolarHBondContact CD-O 3.48Å; P606-A722 WeakPolarHBondContact CG-O 3.3Å
607	S	97.2	Very high	96.9	Very high	8 Å²	8	12 Å²	12	6%	0.056	7%	0.071	C	C	.	.	P	Polyproline II helix	trans	-66.5	155.3	169.9	-44.6	0	0	0	0	110.1	L609 A610 W611 D729	S607-L609 PolarHBondContact O-N 3.14Å; S607-L609 VanDerWaalsContact O-N 3.09Å; S607-A610 WeakPolarHBondContact O-CB 3.3Å; S607-A610 PolarHBondContact O-N 2.9Å; S607-W611 PolarHBondContact O-N 2.93Å; S607-D729 WeakPolarHBondContact CB-OD2 3.26Å; S607-D729 PolarHBondContact N-OD2 3.3Å; S607-D729 PolarHBondContact OG-OD2 3.08Å
608	P	97.6	Very high	96.8	Very high	1 Å²	1	14.7 Å²	14.7	1%	0.006	9%	0.085	C	C	.	.	H	α-helix	trans	-54.4	-33.5	-179.9	-28.4	36.5	0	0	0	114.2	W611 A612 Y664 S665 N907 P910	P608-W611 PolarHBondContact O-N 3.27Å; P608-A612 WeakPolarHBondContact O-CB 3.49Å; P608-A612 PolarHBondContact O-N 2.96Å; P608-Y664 HydrophobicContact CB-CD1 4.38Å; P608-Y664 HydrophobicContact CG-CD1 4.19Å; P608-Y664 HydrophobicContact CG-CE1 4.38Å; P608-S665 WeakPolarHBondContact CG-OG 3.45Å; P608-N907 WeakPolarHBondContact CD-ND2 3.5Å; P608-N907 WeakPolarHBondContact CG-ND2 3.48Å; P608-P910 HydrophobicContact CB-CB 4.38Å; P608-P910 HydrophobicContact CB-CG 3.89Å; P608-P910 WeakPolarHBondContact O-CB 3.38Å
609	L	97	Very high	96.6	Very high	2 Å²	2	19.6 Å²	19.6	1%	0.01	12%	0.12	C	C	.	.	H	α-helix	trans	-67.5	-46.2	175.2	-177	66.8	0	0	0	112.4	S607 W611 A612 R613 V731 Q733 P910 L914 Y916	S607-L609 PolarHBondContact O-N 3.14Å; S607-L609 VanDerWaalsContact O-N 3.09Å; L609-W611 VanDerWaalsContact C-N 3.26Å; L609-W611 PolarHBondContact O-N 3.16Å; L609-A612 PolarHBondContact O-N 3.36Å; L609-R613 PolarHBondContact O-N 2.74Å; L609-R613 VanDerWaalsContact O-N 3.08Å; L609-V731 HydrophobicContact CB-CG2 4.31Å; L609-V731 HydrophobicContact CD2-CG2 4.01Å; L609-V731 HydrophobicContact CG-CG2 4.04Å; L609-Q733 HydrophobicContact CD2-CG 4Å; L609-P910 HydrophobicContact CD1-CB 4.45Å; L609-L914 WeakPolarHBondContact CD2-O 3.43Å; L609-Y916 HydrophobicContact CD2-CE1 4.32Å
610	A	97.1	Very high	96.5	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-56.7	-43.6	173.9	0	0	0	0	0	111.4	P606 S607 S614 S721 D729 V731	P606-A610 HydrophobicContact CB-CB 3.74Å; S607-A610 WeakPolarHBondContact O-CB 3.3Å; S607-A610 PolarHBondContact O-N 2.9Å; A610-S614 WeakPolarHBondContact O-CB 3.19Å; A610-S614 PolarHBondContact O-N 3.07Å; A610-S614 PolarHBondContact O-OG 3.12Å; A610-S721 WeakPolarHBondContact O-CB 3.47Å; A610-S721 PolarHBondContact O-OG 2.98Å; A610-D729 HydrophobicContact CB-CB 4.02Å; A610-D729 WeakPolarHBondContact CB-OD2 3.08Å; A610-V731 HydrophobicContact CB-CG1 4.22Å; A610-V731 HydrophobicContact CB-CG2 3.87Å
611	W	97.8	Very high	96.5	Very high	1 Å²	1	25.4 Å²	25.4	0%	0.004	16%	0.156	C	C	.	.	H	α-helix	trans	-65.9	-50.1	178.8	-166	-103.4	0	0	0	112.2	P606 S607 P608 L609 R613 S614 I615 Q623 W624 L630 M631 Y664 S721	P606-W611 HydrophobicContact CG-CE3 4.27Å; S607-W611 PolarHBondContact O-N 2.93Å; P608-W611 PolarHBondContact O-N 3.27Å; L609-W611 VanDerWaalsContact C-N 3.26Å; L609-W611 PolarHBondContact O-N 3.16Å; W611-R613 VanDerWaalsContact C-N 3.27Å; W611-R613 PolarHBondContact O-N 2.88Å; W611-S614 WeakPolarHBondContact CA-OG 3.32Å; W611-S614 WeakPolarHBondContact O-CA 3.28Å; W611-S614 PolarHBondContact O-N 2.89Å; W611-S614 PolarHBondContact O-OG 3.02Å; W611-I615 HydrophobicContact CZ2-CG2 4.46Å; W611-I615 PolarHBondContact O-N 3.01Å; W611-Q623 WeakPolarHBondContact CZ2-O 3.21Å; W611-Q623 PolarHBondContact NE1-O 2.55Å; W611-W624 HydrophobicContact CB-CZ3 4.15Å; W611-W624 AromaticContact CD1-CD2 3.97Å; W611-W624 AromaticContact CD1-CE3 3.41Å; W611-W624 VanDerWaalsContact CD1-CE3 3.41Å; W611-W624 AromaticContact CD1-CZ3 3.46Å; W611-W624 VanDerWaalsContact CD1-CZ3 3.46Å; W611-W624 HydrophobicContact CG-CE3 4.4Å; W611-W624 HydrophobicContact CG-CZ3 4.16Å; W611-L630 HydrophobicContact CH2-CG 4.2Å; W611-L630 HydrophobicContact CZ2-CD2 4.04Å; W611-L630 HydrophobicContact CZ2-CG 4.1Å; W611-M631 HydrophobicContact CD2-CE 4.4Å; W611-M631 HydrophobicContact CE3-CE 4.05Å; W611-M631 HydrophobicContact CH2-CB 4.49Å; W611-M631 HydrophobicContact CH2-CE 3.6Å; W611-M631 HydrophobicContact CH2-SD 4Å; W611-M631 HydrophobicContact CZ2-CE 3.97Å; W611-M631 HydrophobicContact CZ3-CE 3.63Å; W611-M631 HydrophobicContact CZ3-SD 4.03Å; W611-Y664 HydrophobicContact CB-CE1 3.88Å; W611-Y664 HydrophobicContact CB-CE2 4.21Å; W611-Y664 WeakPolarHBondContact CB-OH 3.32Å; W611-Y664 AromaticContact CD1-CE2 3.77Å; W611-Y664 AromaticContact CD2-CE2 3.74Å; W611-Y664 HydrophobicContact CD2-CE2 3.74Å; W611-Y664 AromaticContact CD2-CZ 3.85Å; W611-Y664 AromaticContact CE2-CE2 3.95Å; W611-Y664 HydrophobicContact CE3-CE2 4.37Å; W611-Y664 HydrophobicContact CG-CD2 4.41Å; W611-Y664 HydrophobicContact CG-CE1 4.17Å; W611-Y664 AromaticContact CG-CE2 3.62Å; W611-Y664 HydrophobicContact CG-CE2 3.62Å; W611-Y664 AromaticContact CG-CZ 3.49Å; W611-Y664 VanDerWaalsContact CG-CZ 3.49Å; W611-Y664 AromaticContact NE1-CE2 3.92Å; W611-S721 WeakPolarHBondContact CZ3-O 3.22Å
612	A	97.3	Very high	96.4	Very high	11 Å²	11	33.2 Å²	33.2	9%	0.091	19%	0.189	C	C	.	.	H	α-helix	trans	-55.9	-39.1	178.7	0	0	0	0	0	113.4	P608 L609 S614 I615 I618 W624 P910	P608-A612 WeakPolarHBondContact O-CB 3.49Å; P608-A612 PolarHBondContact O-N 2.96Å; L609-A612 PolarHBondContact O-N 3.36Å; A612-S614 PolarHBondContact O-N 2.89Å; A612-I615 WeakPolarHBondContact O-CG1 3.48Å; A612-I618 HydrophobicContact CB-CD1 3.78Å; A612-I618 HydrophobicContact CB-CG1 4.2Å; A612-W624 HydrophobicContact CB-CH2 3.85Å; A612-W624 HydrophobicContact CB-CZ2 4.09Å; A612-P910 HydrophobicContact CB-CB 3.64Å; A612-P910 HydrophobicContact CB-CG 4.29Å
613	R	94.3	Very high	96.4	Very high	27 Å²	27	34 Å²	34	10%	0.102	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-10.5	177.8	-71.9	-167	179	170.4	0.4	114.3	I75 L394 H396 L609 W611 V731 N913 E915	I75-R613 WeakPolarHBondContact CD1-O 3.44Å; L394-R613 HydrophobicContact CB-CB 4.46Å; L394-R613 HydrophobicContact CD2-CB 4.42Å; L394-R613 WeakPolarHBondContact CD2-O 3.3Å; L394-R613 WeakPolarHBondContact O-CD 3.39Å; L394-R613 PolarHBondContact O-NH1 3.28Å; H396-R613 PolarHBondContact CD2-NH2 3.45Å; H396-R613 PolarHBondContact NE2-NH2 2.99Å; H396-R613 VanDerWaalsContact NE2-NH2 3.14Å; L609-R613 PolarHBondContact O-N 2.74Å; L609-R613 VanDerWaalsContact O-N 3.08Å; W611-R613 VanDerWaalsContact C-N 3.27Å; W611-R613 PolarHBondContact O-N 2.88Å; R613-V731 HydrophobicContact CB-CG1 4.19Å; R613-V731 HydrophobicContact CG-CG1 4.4Å; R613-N913 VanDerWaalsContact CZ-OD1 3.28Å; R613-N913 PolarHBondContact NE-OD1 2.93Å; R613-N913 PolarHBondContact NH2-OD1 3.24Å; R613-E915 IonicContact CZ-OE1 3.17Å; R613-E915 IonicContact NH1-OE1 2.67Å; R613-E915 PolarHBondContact NH1-OE1 3.18Å; R613-E915 IonicContact NH2-OE1 3.97Å
614	S	95.4	Very high	96.4	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.8	5.6	-179.3	70.5	0	0	0	0	113.3	I75 D76 A610 W611 A612 R634 S721	I75-S614 WeakPolarHBondContact CA-O 3.38Å; D76-S614 PolarHBondContact N-O 3.27Å; A610-S614 WeakPolarHBondContact O-CB 3.19Å; A610-S614 PolarHBondContact O-N 3.07Å; A610-S614 PolarHBondContact O-OG 3.12Å; W611-S614 WeakPolarHBondContact CA-OG 3.32Å; W611-S614 WeakPolarHBondContact O-CA 3.28Å; W611-S614 PolarHBondContact O-N 2.89Å; W611-S614 PolarHBondContact O-OG 3.02Å; A612-S614 PolarHBondContact O-N 2.89Å; S614-R634 VanDerWaalsContact CB-NH1 3.28Å; S614-R634 PolarHBondContact O-NH2 3Å; S614-R634 PolarHBondContact OG-NH1 2.77Å; S614-S721 VanDerWaalsContact CB-CB 3.48Å; S614-S721 WeakPolarHBondContact CB-OG 3.19Å; S614-S721 VanDerWaalsContact OG-CB 3.31Å; S614-S721 WeakPolarHBondContact OG-CB 3.28Å
615	I	95.9	Very high	96.4	Very high	12 Å²	12	37.7 Å²	37.7	6%	0.062	21%	0.212	C	C	.	.			trans	-122.5	145.9	179	62.5	176.2	0	0	0	110.8	D76 W611 A612 Q623 W624 L630	D76-I615 VanDerWaalsContact OD1-CA 3.22Å; D76-I615 WeakPolarHBondContact OD1-CA 3.24Å; W611-I615 HydrophobicContact CZ2-CG2 4.46Å; W611-I615 PolarHBondContact O-N 3.01Å; A612-I615 WeakPolarHBondContact O-CG1 3.48Å; I615-Q623 HydrophobicContact CB-CB 4.47Å; I615-Q623 HydrophobicContact CD1-CB 4.09Å; I615-Q623 HydrophobicContact CG2-CB 4.31Å; I615-W624 HydrophobicContact CD1-CD2 4.46Å; I615-W624 HydrophobicContact CD1-CZ2 3.98Å; I615-L630 HydrophobicContact CG2-CD2 3.75Å
616	S	93.5	Very high	96.4	Very high	84 Å²	84	37.7 Å²	37.7	59%	0.587	21%	0.212	S	C	*	.	S	Bend	trans	-73.3	-32.6	-177.5	56	0	0	0	0	113.7	D76	D76-S616 PolarHBondContact OD1-N 3.09Å; D76-S616 WeakPolarHBondContact OD2-CB 3.45Å; D76-S616 PolarHBondContact OD2-OG 3Å
617	N	94.7	Very high	96.3	Very high	79 Å²	79	40.7 Å²	40.7	42%	0.422	23%	0.225	S	C	.	.			trans	-131.5	97.1	-176.4	-174.3	-7.1	0	0	0	111.6	S619 N620 Q623	N617-S619 PolarHBondContact O-N 3.09Å; N617-S619 WeakPolarHBondContact OD1-CB 3.48Å; N617-S619 PolarHBondContact OD1-N 2.9Å; N617-N620 HydrophobicContact CB-CB 4.07Å; N617-N620 WeakPolarHBondContact O-CB 3.45Å; N617-N620 PolarHBondContact O-N 2.9Å; N617-Q623 PolarHBondContact O-OE1 3Å
618	I	95.3	Very high	96.3	Very high	56 Å²	56	40.9 Å²	40.9	29%	0.287	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-23.5	179.3	-151.6	175.9	0	0	0	113.6	A612 W624 I661 R911	A612-I618 HydrophobicContact CB-CD1 3.78Å; A612-I618 HydrophobicContact CB-CG1 4.2Å; I618-W624 HydrophobicContact CD1-CZ2 4.37Å; I618-W624 HydrophobicContact CG1-CZ2 3.66Å; I618-W624 PolarHBondContact O-NE1 3.33Å; I618-I661 HydrophobicContact CG1-CD1 4.39Å; I618-R911 HydrophobicContact CD1-CG 4.1Å
619	S	95.4	Very high	96.2	Very high	104 Å²	104	45.9 Å²	45.9	73%	0.727	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-10.7	179.5	-56	0	0	0	0	113.2	N617 S621	N617-S619 PolarHBondContact O-N 3.09Å; N617-S619 WeakPolarHBondContact OD1-CB 3.48Å; N617-S619 PolarHBondContact OD1-N 2.9Å; S619-S621 PolarHBondContact O-N 2.75Å
620	N	96.2	Very high	96.2	Very high	57 Å²	57	46.7 Å²	46.7	31%	0.305	27%	0.268	S	S	.	.			trans	-79.1	104.8	179.6	-176.5	-2.8	0	0	0	110.9	N617 K622 Q623	N617-N620 HydrophobicContact CB-CB 4.07Å; N617-N620 WeakPolarHBondContact O-CB 3.45Å; N617-N620 PolarHBondContact O-N 2.9Å; N620-K622 PolarHBondContact O-N 3.28Å; N620-K622 PolarHBondContact OD1-N 3.3Å; N620-K622 VanDerWaalsContact OD1-N 3.16Å; N620-Q623 HydrophobicContact CB-CG 4.23Å; N620-Q623 PolarHBondContact O-N 3.1Å
621	S	96.3	Very high	96.2	Very high	70 Å²	70	46.8 Å²	46.8	49%	0.49	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-57.5	-31.8	-178.4	59.4	0	0	0	0	113.9	S619 Q623 W624	S619-S621 PolarHBondContact O-N 2.75Å; S621-Q623 VanDerWaalsContact C-N 3.26Å; S621-Q623 PolarHBondContact O-N 3.32Å; S621-W624 PolarHBondContact O-N 3.05Å; S621-W624 VanDerWaalsContact O-N 3.12Å
622	K	97	Very high	96.2	Very high	168 Å²	168	50.5 Å²	50.5	73%	0.73	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-65.2	-29.9	178.7	-65.4	-178.1	179	179.3	0	112.7	N620 W624 D625	N620-K622 PolarHBondContact O-N 3.28Å; N620-K622 PolarHBondContact OD1-N 3.3Å; N620-K622 VanDerWaalsContact OD1-N 3.16Å; K622-W624 PolarHBondContact O-N 2.92Å; K622-D625 PolarHBondContact O-N 3.46Å
623	Q	97.2	Very high	96.1	Very high	21 Å²	21	51.5 Å²	51.5	10%	0.098	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-73.9	-13.7	177.7	-70.1	-175.2	-46.7	0	0	112.5	D76 W611 I615 N617 N620 S621 L630	D76-Q623 PolarHBondContact OD1-NE2 2.87Å; D76-Q623 PolarHBondContact OD2-NE2 3.28Å; W611-Q623 WeakPolarHBondContact CZ2-O 3.21Å; W611-Q623 PolarHBondContact NE1-O 2.55Å; I615-Q623 HydrophobicContact CB-CB 4.47Å; I615-Q623 HydrophobicContact CD1-CB 4.09Å; I615-Q623 HydrophobicContact CG2-CB 4.31Å; N617-Q623 PolarHBondContact O-OE1 3Å; N620-Q623 HydrophobicContact CB-CG 4.23Å; N620-Q623 PolarHBondContact O-N 3.1Å; S621-Q623 VanDerWaalsContact C-N 3.26Å; S621-Q623 PolarHBondContact O-N 3.32Å; Q623-L630 HydrophobicContact CB-CD2 4.17Å; Q623-L630 HydrophobicContact CG-CD2 4.03Å
624	W	97.6	Very high	96.2	Very high	6 Å²	6	50.3 Å²	50.3	2%	0.023	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-97.6	-0.5	177.3	-69.8	100.9	0	0	0	113.6	W611 A612 I615 I618 S621 K622 V626 P660 I661 Y664 P910	W611-W624 HydrophobicContact CB-CZ3 4.15Å; W611-W624 AromaticContact CD1-CD2 3.97Å; W611-W624 AromaticContact CD1-CE3 3.41Å; W611-W624 VanDerWaalsContact CD1-CE3 3.41Å; W611-W624 AromaticContact CD1-CZ3 3.46Å; W611-W624 VanDerWaalsContact CD1-CZ3 3.46Å; W611-W624 HydrophobicContact CG-CE3 4.4Å; W611-W624 HydrophobicContact CG-CZ3 4.16Å; A612-W624 HydrophobicContact CB-CH2 3.85Å; A612-W624 HydrophobicContact CB-CZ2 4.09Å; I615-W624 HydrophobicContact CD1-CD2 4.46Å; I615-W624 HydrophobicContact CD1-CZ2 3.98Å; I618-W624 HydrophobicContact CD1-CZ2 4.37Å; I618-W624 HydrophobicContact CG1-CZ2 3.66Å; I618-W624 PolarHBondContact O-NE1 3.33Å; S621-W624 PolarHBondContact O-N 3.05Å; S621-W624 VanDerWaalsContact O-N 3.12Å; K622-W624 PolarHBondContact O-N 2.92Å; W624-V626 PolarHBondContact O-N 3.49Å; W624-P660 HydrophobicContact CB-CB 4Å; W624-P660 HydrophobicContact CG-CB 4.44Å; W624-I661 HydrophobicContact CD2-CG1 4.07Å; W624-I661 HydrophobicContact CE3-CG2 4.49Å; W624-I661 HydrophobicContact CG-CG1 4.48Å; W624-I661 HydrophobicContact CH2-CG1 4.36Å; W624-I661 HydrophobicContact CH2-CG2 3.81Å; W624-I661 HydrophobicContact CZ2-CB 4.45Å; W624-I661 HydrophobicContact CZ2-CD1 3.93Å; W624-I661 HydrophobicContact CZ2-CG1 3.79Å; W624-I661 HydrophobicContact CZ2-CG2 4.09Å; W624-I661 HydrophobicContact CZ3-CG2 4.03Å; W624-Y664 AromaticContact CE3-CD1 3.95Å; W624-Y664 HydrophobicContact CE3-CD1 3.95Å; W624-Y664 AromaticContact CE3-CD2 3.83Å; W624-Y664 HydrophobicContact CE3-CD2 3.83Å; W624-Y664 AromaticContact CE3-CG 3.5Å; W624-Y664 HydrophobicContact CE3-CG 3.5Å; W624-Y664 VanDerWaalsContact CE3-CG 3.5Å; W624-Y664 AromaticContact CZ3-CD1 3.78Å; W624-Y664 HydrophobicContact CZ3-CD1 3.78Å; W624-Y664 HydrophobicContact CZ3-CD2 4.39Å; W624-Y664 HydrophobicContact CZ3-CE1 4.32Å; W624-Y664 AromaticContact CZ3-CG 3.86Å; W624-Y664 HydrophobicContact CZ3-CG 3.86Å; W624-P910 HydrophobicContact CH2-CG 3.89Å
625	D	96.8	Very high	96.3	Very high	81 Å²	81	50.5 Å²	50.5	43%	0.433	29%	0.288	S	S	.	.			trans	-74.9	113.4	176.8	-174.3	-0.6	0	0	0	110.8	K622 F627 G628	K622-D625 PolarHBondContact O-N 3.46Å; D625-F627 PolarHBondContact O-N 3.44Å; D625-F627 PolarHBondContact OD1-N 3.12Å; D625-G628 VanDerWaalsContact CG-N 3.31Å; D625-G628 PolarHBondContact O-N 3.26Å; D625-G628 PolarHBondContact OD1-N 3.04Å
626	V	96.6	Very high	96.3	Very high	3 Å²	3	50 Å²	50	2%	0.018	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-9.3	179.9	-58.8	0	0	0	0	113.9	I605 W624 M631 L644 Y664 W667	I605-V626 HydrophobicContact CD1-CG1 3.71Å; W624-V626 PolarHBondContact O-N 3.49Å; V626-M631 HydrophobicContact CG1-CE 4.46Å; V626-M631 VanDerWaalsContact O-CG 3.23Å; V626-M631 WeakPolarHBondContact O-CG 3.01Å; V626-L644 HydrophobicContact CB-CD2 4.06Å; V626-L644 HydrophobicContact CG2-CD2 4.04Å; V626-Y664 HydrophobicContact CG1-CD2 3.5Å; V626-Y664 VanDerWaalsContact CG1-CD2 3.5Å; V626-Y664 HydrophobicContact CG1-CE2 3.88Å; V626-Y664 HydrophobicContact CG1-CG 4.26Å; V626-W667 HydrophobicContact CB-CB 4.41Å; V626-W667 HydrophobicContact CB-CG 4.46Å; V626-W667 HydrophobicContact CG1-CB 3.8Å; V626-W667 HydrophobicContact CG1-CG 4.2Å; V626-W667 HydrophobicContact CG2-CB 4.03Å; V626-W667 HydrophobicContact CG2-CD2 3.77Å; V626-W667 HydrophobicContact CG2-CE3 4.37Å; V626-W667 HydrophobicContact CG2-CG 3.58Å
627	F	95.9	Very high	96.4	Very high	63 Å²	63	46.9 Å²	46.9	28%	0.276	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.7	12.9	169.5	-59.3	-72.9	0	0	0	111.9	D625 H641 L644 R645 W667	D625-F627 PolarHBondContact O-N 3.44Å; D625-F627 PolarHBondContact OD1-N 3.12Å; F627-H641 HydrophobicContact CD1-CB 3.93Å; F627-H641 AromaticContact CD1-CG 3.8Å; F627-H641 AromaticContact CD1-ND1 3.85Å; F627-H641 HydrophobicContact CE1-CB 4.12Å; F627-L644 HydrophobicContact CD1-CD2 4.4Å; F627-L644 HydrophobicContact CE1-CB 4.48Å; F627-L644 HydrophobicContact CE1-CD2 3.69Å; F627-L644 HydrophobicContact CE1-CG 4.21Å; F627-L644 HydrophobicContact CE2-CD2 4.36Å; F627-L644 HydrophobicContact CZ-CD2 3.66Å; F627-L644 HydrophobicContact CZ-CG 4.12Å; F627-R645 HydrophobicContact CE1-CG 4.27Å; F627-W667 HydrophobicContact CE2-CD2 4.41Å; F627-W667 HydrophobicContact CE2-CE3 4.34Å; F627-W667 AromaticContact CE2-CH2 3.6Å; F627-W667 HydrophobicContact CE2-CH2 3.6Å; F627-W667 AromaticContact CE2-CZ2 3.64Å; F627-W667 HydrophobicContact CE2-CZ2 3.64Å; F627-W667 AromaticContact CE2-CZ3 3.95Å; F627-W667 HydrophobicContact CE2-CZ3 3.95Å; F627-W667 HydrophobicContact CZ-CE3 4.34Å; F627-W667 AromaticContact CZ-CH2 3.75Å; F627-W667 HydrophobicContact CZ-CH2 3.75Å; F627-W667 HydrophobicContact CZ-CZ2 4.27Å; F627-W667 AromaticContact CZ-CZ3 3.77Å; F627-W667 HydrophobicContact CZ-CZ3 3.77Å
628	G	96.8	Very high	96.3	Very high	12 Å²	12	50 Å²	50	12%	0.124	27%	0.273	C	S	.	.	S	Bend	trans	-82.7	171.1	177.9	0	0	0	0	0	112.6	D625 L630 M631 D632	D625-G628 VanDerWaalsContact CG-N 3.31Å; D625-G628 PolarHBondContact O-N 3.26Å; D625-G628 PolarHBondContact OD1-N 3.04Å; G628-L630 VanDerWaalsContact C-N 3.3Å; G628-L630 PolarHBondContact O-N 2.77Å; G628-M631 PolarHBondContact O-N 2.91Å; G628-M631 VanDerWaalsContact O-N 3.09Å; G628-D632 PolarHBondContact O-N 2.95Å
629	S	96.5	Very high	96.3	Very high	107 Å²	107	50.3 Å²	50.3	75%	0.748	28%	0.275	S	S	*	.	H	α-helix	trans	-58.4	-36.9	-175.1	57.2	0	0	0	0	114.1	D632 H633	S629-D632 PolarHBondContact O-N 2.73Å; S629-H633 WeakPolarHBondContact O-CB 3.13Å; S629-H633 PolarHBondContact O-N 3.31Å
630	L	97.2	Very high	96.2	Very high	19 Å²	19	45.7 Å²	45.7	10%	0.099	24%	0.243	C	C	.	.	H	α-helix	trans	-69.9	-35.2	179	-178.1	59.8	0	0	0	112	W611 I615 Q623 G628 R634	W611-L630 HydrophobicContact CH2-CG 4.2Å; W611-L630 HydrophobicContact CZ2-CD2 4.04Å; W611-L630 HydrophobicContact CZ2-CG 4.1Å; I615-L630 HydrophobicContact CG2-CD2 3.75Å; Q623-L630 HydrophobicContact CB-CD2 4.17Å; Q623-L630 HydrophobicContact CG-CD2 4.03Å; G628-L630 VanDerWaalsContact C-N 3.3Å; G628-L630 PolarHBondContact O-N 2.77Å; L630-R634 WeakPolarHBondContact O-CG 3.35Å; L630-R634 PolarHBondContact O-N 2.96Å
631	M	97.2	Very high	96.1	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.01	24%	0.235	C	C	.	.	H	α-helix	trans	-71.5	-39.4	174.3	-174	62.4	72.2	0	0	111.1	W611 V626 G628 R634 Q635 Y664 P723	W611-M631 HydrophobicContact CD2-CE 4.4Å; W611-M631 HydrophobicContact CE3-CE 4.05Å; W611-M631 HydrophobicContact CH2-CB 4.49Å; W611-M631 HydrophobicContact CH2-CE 3.6Å; W611-M631 HydrophobicContact CH2-SD 4Å; W611-M631 HydrophobicContact CZ2-CE 3.97Å; W611-M631 HydrophobicContact CZ3-CE 3.63Å; W611-M631 HydrophobicContact CZ3-SD 4.03Å; V626-M631 HydrophobicContact CG1-CE 4.46Å; V626-M631 VanDerWaalsContact O-CG 3.23Å; V626-M631 WeakPolarHBondContact O-CG 3.01Å; G628-M631 PolarHBondContact O-N 2.91Å; G628-M631 VanDerWaalsContact O-N 3.09Å; M631-R634 PolarHBondContact O-N 3.05Å; M631-Q635 WeakPolarHBondContact O-CB 2.96Å; M631-Q635 PolarHBondContact O-N 3.41Å; M631-Y664 HydrophobicContact CE-CE2 3.69Å; M631-P723 HydrophobicContact CG-CG 4.49Å; M631-P723 HydrophobicContact SD-CG 3.47Å; M631-P723 WeakPolarHBondContact SD-CG 3.39Å
632	D	96.4	Very high	95.9	Very high	79 Å²	79	46.1 Å²	46.1	42%	0.422	24%	0.236	S	C	.	.	H	α-helix	trans	-61.7	-44.1	175.4	-168.8	57.5	0	0	0	111.6	G628 S629 R634 Q635 H641	G628-D632 PolarHBondContact O-N 2.95Å; S629-D632 PolarHBondContact O-N 2.73Å; D632-R634 PolarHBondContact O-N 2.74Å; D632-Q635 PolarHBondContact O-N 2.71Å; D632-Q635 VanDerWaalsContact O-N 3.08Å; D632-H641 IonicContact OD1-CD2 2.82Å; D632-H641 IonicContact OD1-NE2 2.61Å; D632-H641 PolarHBondContact OD1-NE2 2.98Å
633	H	96.4	Very high	95.7	Very high	32 Å²	32	38.3 Å²	38.3	15%	0.148	20%	0.202	C	C	.	.	H	α-helix	trans	-52.3	-39.5	172.9	175.4	87.9	0	0	0	112.7	D79 H189 S629 H636	D79-H633 IonicContact OD1-CD2 2.7Å; D79-H633 IonicContact OD1-CE1 3.21Å; D79-H633 IonicContact OD1-NE2 3.82Å; D79-H633 PolarHBondContact OD1-NE2 3.45Å; D79-H633 IonicContact OD2-CE1 3.22Å; D79-H633 IonicContact OD2-NE2 3.61Å; D79-H633 PolarHBondContact OD2-NE2 3.18Å; H189-H633 AromaticContact CE1-CE1 3.45Å; H189-H633 PolarHBondContact CE1-CE1 3.38Å; H189-H633 VanDerWaalsContact CE1-CE1 3.45Å; H189-H633 AromaticContact CE1-CG 3.99Å; H189-H633 AromaticContact CE1-ND1 3.28Å; H189-H633 PolarHBondContact CE1-ND1 3.21Å; H189-H633 VanDerWaalsContact CE1-ND1 3.28Å; H189-H633 AromaticContact ND1-CE1 3.39Å; H189-H633 PolarHBondContact ND1-CE1 3.44Å; H189-H633 AromaticContact ND1-ND1 3.72Å; H189-H633 AromaticContact ND1-NE2 3.94Å; S629-H633 WeakPolarHBondContact O-CB 3.13Å; S629-H633 PolarHBondContact O-N 3.31Å; H633-H636 PolarHBondContact O-CD2 3.29Å; H633-H636 PolarHBondContact O-NE2 3.41Å
634	R	96.2	Very high	95.5	Very high	1 Å²	1	38 Å²	38	0%	0.004	20%	0.201	C	C	.	.	H	α-helix	trans	-88.7	-11.4	-177.8	-63.2	-164.8	179.5	171.8	0.4	114.3	D76 S614 L630 M631 D632 H636 W720 S721 A722	D76-R634 VanDerWaalsContact N-NH2 3.16Å; D76-R634 PolarHBondContact O-NE 2.73Å; D76-R634 PolarHBondContact O-NH2 3.39Å; S614-R634 VanDerWaalsContact CB-NH1 3.28Å; S614-R634 PolarHBondContact O-NH2 3Å; S614-R634 PolarHBondContact OG-NH1 2.77Å; L630-R634 WeakPolarHBondContact O-CG 3.35Å; L630-R634 PolarHBondContact O-N 2.96Å; M631-R634 PolarHBondContact O-N 3.05Å; D632-R634 PolarHBondContact O-N 2.74Å; R634-H636 PolarHBondContact O-N 2.89Å; R634-W720 HydrophobicContact CB-CH2 3.96Å; R634-W720 HydrophobicContact CB-CZ2 4.35Å; R634-W720 HydrophobicContact CB-CZ3 4.29Å; R634-W720 HydrophobicContact CG-CH2 3.6Å; R634-W720 HydrophobicContact CG-CZ2 3.55Å; R634-W720 HydrophobicContact CG-CZ3 4.35Å; R634-S721 WeakPolarHBondContact CD-O 3.42Å; R634-S721 PolarHBondContact NH1-O 3.36Å; R634-A722 HydrophobicContact CB-CB 4.06Å; R634-A722 WeakPolarHBondContact O-CB 3.28Å
635	Q	96.6	Very high	95.3	Very high	5 Å²	5	43.9 Å²	43.9	2%	0.023	22%	0.223	C	C	.	.			trans	-86.7	86.6	-179.9	176.1	50.8	-79.8	0	0	109.4	R187 M631 D632 H637 P723	R187-Q635 WeakPolarHBondContact CD-O 3.36Å; M631-Q635 WeakPolarHBondContact O-CB 2.96Å; M631-Q635 PolarHBondContact O-N 3.41Å; D632-Q635 PolarHBondContact O-N 2.71Å; D632-Q635 VanDerWaalsContact O-N 3.08Å; Q635-H637 VanDerWaalsContact C-N 3.35Å; Q635-H637 PolarHBondContact O-N 3.39Å; Q635-P723 HydrophobicContact CB-CG 4.22Å; Q635-P723 VanDerWaalsContact NE2-CB 3.28Å
636	H	96.7	Very high	95.1	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.204	C	C	.	.			trans	-78.4	-16.5	-176.5	-68.4	-174.1	0	0	0	113.8	R187 F188 W206 D207 G209 H633 R634 W720	R187-H636 PolarHBondContact O-CD2 3.4Å; F188-H636 HydrophobicContact CD1-CB 3.86Å; F188-H636 HydrophobicContact CE1-CB 4.37Å; F188-H636 VanDerWaalsContact CE1-O 3.3Å; F188-H636 WeakPolarHBondContact CE1-O 3.23Å; F188-H636 PolarHBondContact O-CE1 3.45Å; W206-H636 PolarHBondContact O-ND1 2.79Å; D207-H636 WeakPolarHBondContact O-CB 3.2Å; G209-H636 PolarHBondContact O-CE1 2.86Å; G209-H636 PolarHBondContact O-ND1 3.05Å; G209-H636 VanDerWaalsContact O-ND1 3.1Å; H633-H636 PolarHBondContact O-CD2 3.29Å; H633-H636 PolarHBondContact O-NE2 3.41Å; R634-H636 PolarHBondContact O-N 2.89Å; H636-W720 AromaticContact CE1-CZ3 3.61Å; H636-W720 AromaticContact NE2-CH2 3.74Å; H636-W720 AromaticContact NE2-CZ3 3.65Å
637	H	95.5	Very high	94.8	Very high	20 Å²	20	40.2 Å²	40.2	9%	0.093	20%	0.203	C	C	.	.	S	Bend	trans	-65.4	142.4	178.9	-171.7	-98	0	0	0	111.7	R187 Y581 Q635 L639 G640 M643 W725	R187-H637 PolarHBondContact NH1-O 2.85Å; Y581-H637 AromaticContact CE2-CE1 3.75Å; Y581-H637 AromaticContact CE2-NE2 3.48Å; Y581-H637 WeakPolarHBondContact CE2-NE2 3.35Å; Y581-H637 AromaticContact CZ-NE2 3.87Å; Q635-H637 VanDerWaalsContact C-N 3.35Å; Q635-H637 PolarHBondContact O-N 3.39Å; H637-L639 VanDerWaalsContact C-N 3.26Å; H637-L639 WeakPolarHBondContact ND1-CB 3.38Å; H637-L639 PolarHBondContact ND1-N 3.14Å; H637-L639 PolarHBondContact O-N 3.23Å; H637-G640 PolarHBondContact O-N 3.03Å; H637-M643 WeakPolarHBondContact ND1-CG 3.17Å; H637-W725 AromaticContact CD2-CH2 3.58Å; H637-W725 AromaticContact CD2-CZ2 3.61Å
638	Q	92.9	Very high	94.5	Very high	143 Å²	143	40.2 Å²	40.2	67%	0.668	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-29.3	-173.3	-67	170.8	2.2	0	0	113.7	R187 G640	R187-Q638 VanDerWaalsContact NH1-CA 3.29Å; R187-Q638 PolarHBondContact NH1-O 3.36Å; Q638-G640 VanDerWaalsContact C-N 3.27Å; Q638-G640 PolarHBondContact O-N 3.36Å
639	L	93.9	Very high	94	Very high	64 Å²	64	45 Å²	45	34%	0.335	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-7.7	174.7	-61.9	-178.5	0	0	0	114.2	Y581 H637 H641 Q642 M643	Y581-L639 HydrophobicContact CD2-CD1 3.92Å; Y581-L639 HydrophobicContact CG-CD1 4.16Å; H637-L639 VanDerWaalsContact C-N 3.26Å; H637-L639 WeakPolarHBondContact ND1-CB 3.38Å; H637-L639 PolarHBondContact ND1-N 3.14Å; H637-L639 PolarHBondContact O-N 3.23Å; L639-H641 PolarHBondContact O-N 3.01Å; L639-Q642 HydrophobicContact CB-CB 4.27Å; L639-Q642 WeakPolarHBondContact O-CB 3.3Å; L639-Q642 PolarHBondContact O-N 3.43Å; L639-M643 HydrophobicContact CB-CG 4.01Å; L639-M643 HydrophobicContact CD1-SD 4.02Å
640	G	94.2	Very high	93.4	Very high	6 Å²	6	41.9 Å²	41.9	6%	0.062	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	-141.1	174.9	0	0	0	0	0	112.9	H637 Q638 Q642 M643	H637-G640 PolarHBondContact O-N 3.03Å; Q638-G640 VanDerWaalsContact C-N 3.27Å; Q638-G640 PolarHBondContact O-N 3.36Å; G640-Q642 PolarHBondContact O-N 3.2Å; G640-M643 PolarHBondContact O-N 2.66Å
641	H	93.9	Very high	92.9	Very high	28 Å²	28	41 Å²	41	13%	0.13	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-13.1	175.2	-66	-52.8	0	0	0	115	F627 D632 L639 M643 L644 R645	F627-H641 HydrophobicContact CD1-CB 3.93Å; F627-H641 AromaticContact CD1-CG 3.8Å; F627-H641 AromaticContact CD1-ND1 3.85Å; F627-H641 HydrophobicContact CE1-CB 4.12Å; D632-H641 IonicContact OD1-CD2 2.82Å; D632-H641 IonicContact OD1-NE2 2.61Å; D632-H641 PolarHBondContact OD1-NE2 2.98Å; L639-H641 PolarHBondContact O-N 3.01Å; H641-M643 PolarHBondContact O-N 3.28Å; H641-L644 PolarHBondContact O-N 2.68Å; H641-R645 WeakPolarHBondContact O-CG 3.38Å; H641-R645 PolarHBondContact O-N 2.99Å; H641-R645 VanDerWaalsContact O-N 3.09Å
642	Q	93.2	Very high	92.2	Very high	108 Å²	108	42.7 Å²	42.7	51%	0.505	20%	0.203	S	C	.	.	H	α-helix	trans	-61.3	-33.3	174.5	-169.3	177.9	16	0	0	111.4	L639 G640 L644 R645 L646	L639-Q642 HydrophobicContact CB-CB 4.27Å; L639-Q642 WeakPolarHBondContact O-CB 3.3Å; L639-Q642 PolarHBondContact O-N 3.43Å; G640-Q642 PolarHBondContact O-N 3.2Å; Q642-L644 VanDerWaalsContact C-N 3.31Å; Q642-L644 PolarHBondContact O-N 2.89Å; Q642-R645 CarbonylContact O-C 3.57Å; Q642-R645 WeakPolarHBondContact O-CA 3.42Å; Q642-R645 WeakPolarHBondContact O-CB 3.37Å; Q642-R645 PolarHBondContact O-N 2.83Å; Q642-L646 PolarHBondContact O-N 3.4Å
643	M	92.8	Very high	91.8	Very high	4 Å²	4	44.3 Å²	44.3	2%	0.02	21%	0.206	C	C	.	.	H	α-helix	trans	-58	-43.6	174.4	-76.3	-62.7	-83.4	0	0	112.2	Y581 I602 Q603 H637 L639 G640 H641 R645 L646	Y581-M643 HydrophobicContact CD1-CE 3.74Å; Y581-M643 HydrophobicContact CD1-SD 3.85Å; Y581-M643 HydrophobicContact CD2-SD 4.47Å; Y581-M643 HydrophobicContact CE1-CE 3.58Å; Y581-M643 HydrophobicContact CE1-SD 4.23Å; Y581-M643 HydrophobicContact CG-CE 4.42Å; Y581-M643 HydrophobicContact CG-SD 3.99Å; I602-M643 HydrophobicContact CG1-CE 3.88Å; Q603-M643 HydrophobicContact CB-CE 3.86Å; Q603-M643 HydrophobicContact CG-CE 3.77Å; H637-M643 WeakPolarHBondContact ND1-CG 3.17Å; L639-M643 HydrophobicContact CB-CG 4.01Å; L639-M643 HydrophobicContact CD1-SD 4.02Å; G640-M643 PolarHBondContact O-N 2.66Å; H641-M643 PolarHBondContact O-N 3.28Å; M643-R645 VanDerWaalsContact C-N 3.34Å; M643-L646 WeakPolarHBondContact O-CB 3.43Å; M643-L646 PolarHBondContact O-N 3.19Å; M643-L646 HydrophobicContact SD-CD1 3.74Å
644	L	91.9	Very high	91.5	Very high	14 Å²	14	42.9 Å²	42.9	7%	0.073	20%	0.2	C	C	.	.	H	α-helix	trans	-65.8	-39.8	175.3	179.7	56.4	0	0	0	111.2	I605 V626 F627 H641 Q642 L646 S647 W667	I605-L644 HydrophobicContact CG2-CD1 4.1Å; I605-L644 HydrophobicContact CG2-CD2 4.48Å; V626-L644 HydrophobicContact CB-CD2 4.06Å; V626-L644 HydrophobicContact CG2-CD2 4.04Å; F627-L644 HydrophobicContact CD1-CD2 4.4Å; F627-L644 HydrophobicContact CE1-CB 4.48Å; F627-L644 HydrophobicContact CE1-CD2 3.69Å; F627-L644 HydrophobicContact CE1-CG 4.21Å; F627-L644 HydrophobicContact CE2-CD2 4.36Å; F627-L644 HydrophobicContact CZ-CD2 3.66Å; F627-L644 HydrophobicContact CZ-CG 4.12Å; H641-L644 PolarHBondContact O-N 2.68Å; Q642-L644 VanDerWaalsContact C-N 3.31Å; Q642-L644 PolarHBondContact O-N 2.89Å; L644-L646 PolarHBondContact O-N 2.94Å; L644-S647 WeakPolarHBondContact O-CB 3.4Å; L644-S647 PolarHBondContact O-N 3.27Å; L644-S647 PolarHBondContact O-OG 3.31Å; L644-W667 HydrophobicContact CD1-CE3 4.15Å; L644-W667 HydrophobicContact CD2-CE3 4.2Å; L644-W667 HydrophobicContact CG-CE3 4.2Å; L644-W667 HydrophobicContact CG-CZ3 4.33Å
645	R	93.5	Very high	91.1	Very high	130 Å²	130	43.8 Å²	43.8	49%	0.491	21%	0.208	S	C	.	.	H	α-helix	trans	-66.9	-20.3	179.3	-68.1	-178.8	-178.3	113.4	2.1	113.6	F627 H641 Q642 M643 S647 L648	F627-R645 HydrophobicContact CE1-CG 4.27Å; H641-R645 WeakPolarHBondContact O-CG 3.38Å; H641-R645 PolarHBondContact O-N 2.99Å; H641-R645 VanDerWaalsContact O-N 3.09Å; Q642-R645 CarbonylContact O-C 3.57Å; Q642-R645 WeakPolarHBondContact O-CA 3.42Å; Q642-R645 WeakPolarHBondContact O-CB 3.37Å; Q642-R645 PolarHBondContact O-N 2.83Å; M643-R645 VanDerWaalsContact C-N 3.34Å; R645-S647 PolarHBondContact O-N 2.81Å; R645-L648 HydrophobicContact CG-CD1 4.45Å; R645-L648 WeakPolarHBondContact O-CB 3.3Å; R645-L648 PolarHBondContact O-N 3.12Å
646	L	92.2	Very high	90.7	Very high	6 Å²	6	47.9 Å²	47.9	3%	0.031	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-55.5	-35.2	173	-67	175	0	0	0	111.9	Y581 L585 I602 Q642 M643 L644 L648 Q649	Y581-L646 WeakPolarHBondContact O-CD2 3.28Å; L585-L646 HydrophobicContact CD1-CD1 4.41Å; I602-L646 HydrophobicContact CD1-CD1 3.93Å; Q642-L646 PolarHBondContact O-N 3.4Å; M643-L646 WeakPolarHBondContact O-CB 3.43Å; M643-L646 PolarHBondContact O-N 3.19Å; M643-L646 HydrophobicContact SD-CD1 3.74Å; L644-L646 PolarHBondContact O-N 2.94Å; L646-L648 PolarHBondContact O-N 3.49Å; L646-L648 VanDerWaalsContact O-N 3.17Å; L646-Q649 WeakPolarHBondContact O-CB 3.27Å; L646-Q649 WeakPolarHBondContact O-CG 3.47Å; L646-Q649 PolarHBondContact O-N 3.2Å; L646-Q649 VanDerWaalsContact O-N 3.13Å
647	S	90.8	Very high	90.2	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.007	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-58.8	-29.1	176.1	65.9	0	0	0	0	113.4	L644 R645 Q649 Y650 I651	L644-S647 WeakPolarHBondContact O-CB 3.4Å; L644-S647 PolarHBondContact O-N 3.27Å; L644-S647 PolarHBondContact O-OG 3.31Å; R645-S647 PolarHBondContact O-N 2.81Å; S647-Q649 PolarHBondContact O-N 2.81Å; S647-Y650 PolarHBondContact O-N 3.04Å; S647-I651 PolarHBondContact O-N 3.09Å
648	L	90	Very high	89.9	Confident	63 Å²	63	58.2 Å²	58.2	33%	0.33	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-76.6	-10.5	-177.8	-56.5	177.6	0	0	0	113.5	R645 L646 Y650 I651 K653 W667 I670	R645-L648 HydrophobicContact CG-CD1 4.45Å; R645-L648 WeakPolarHBondContact O-CB 3.3Å; R645-L648 PolarHBondContact O-N 3.12Å; L646-L648 PolarHBondContact O-N 3.49Å; L646-L648 VanDerWaalsContact O-N 3.17Å; L648-Y650 PolarHBondContact O-N 3.26Å; L648-I651 WeakPolarHBondContact CA-O 3.43Å; L648-K653 HydrophobicContact CD2-CB 4.18Å; L648-W667 HydrophobicContact CD1-CH2 4.05Å; L648-W667 HydrophobicContact CD1-CZ3 4.3Å; L648-W667 HydrophobicContact CD2-CH2 4.02Å; L648-W667 HydrophobicContact CD2-CZ3 3.99Å; L648-W667 HydrophobicContact CG-CH2 4.48Å; L648-W667 HydrophobicContact CG-CZ3 4.37Å; L648-I670 HydrophobicContact CD2-CD1 3.8Å
649	Q	86.3	Confident	89.9	Confident	114 Å²	114	53.4 Å²	53.4	53%	0.533	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-66.2	-30.3	170.6	-65.5	178.2	-8	0	0	111.5	L646 S647	L646-Q649 WeakPolarHBondContact O-CB 3.27Å; L646-Q649 WeakPolarHBondContact O-CG 3.47Å; L646-Q649 PolarHBondContact O-N 3.2Å; L646-Q649 VanDerWaalsContact O-N 3.13Å; S647-Q649 PolarHBondContact O-N 2.81Å
650	Y	84.1	Confident	90	Very high	40 Å²	40	52.3 Å²	52.3	16%	0.157	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.5	-33.9	-172.9	-48.3	-78.3	0	0	0	112.8	G583 D584 L585 W586 S647 L648 N674 I849	G583-Y650 PolarHBondContact O-OH 3.34Å; G583-Y650 VanDerWaalsContact O-OH 3.08Å; D584-Y650 WeakPolarHBondContact CA-OH 3.19Å; D584-Y650 VanDerWaalsContact OD1-CE1 3.31Å; D584-Y650 WeakPolarHBondContact OD1-CE1 3.24Å; L585-Y650 PolarHBondContact N-OH 2.54Å; W586-Y650 HydrophobicContact CB-CD1 4.49Å; W586-Y650 HydrophobicContact CB-CE1 4.36Å; W586-Y650 AromaticContact CD2-CD1 3.85Å; W586-Y650 HydrophobicContact CD2-CD1 3.85Å; W586-Y650 HydrophobicContact CD2-CE1 4.48Å; W586-Y650 AromaticContact CD2-CG 3.88Å; W586-Y650 HydrophobicContact CD2-CG 3.88Å; W586-Y650 AromaticContact CE2-CD2 3.94Å; W586-Y650 AromaticContact CE2-CG 3.58Å; W586-Y650 HydrophobicContact CE3-CD1 4.27Å; W586-Y650 HydrophobicContact CE3-CG 4.42Å; W586-Y650 AromaticContact CG-CD1 3.95Å; W586-Y650 HydrophobicContact CG-CD1 3.95Å; W586-Y650 HydrophobicContact CG-CE1 4.1Å; W586-Y650 HydrophobicContact CG-CG 4.23Å; W586-Y650 HydrophobicContact CH2-CG 4.49Å; W586-Y650 VanDerWaalsContact CZ2-CB 3.41Å; W586-Y650 HydrophobicContact CZ2-CD2 4.38Å; W586-Y650 AromaticContact CZ2-CG 3.93Å; W586-Y650 HydrophobicContact CZ2-CG 3.93Å; W586-Y650 AromaticContact NE1-CD2 3.58Å; W586-Y650 AromaticContact NE1-CG 3.69Å; S647-Y650 PolarHBondContact O-N 3.04Å; L648-Y650 PolarHBondContact O-N 3.26Å; Y650-N674 WeakPolarHBondContact CD2-OD1 3.39Å; Y650-I849 WeakPolarHBondContact O-CD1 3.08Å
651	I	86.1	Confident	90.1	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.01	25%	0.25	C	S	.	.	S	Bend	trans	-115.5	138.4	-172	-55.6	161.6	0	0	0	109	W586 S647 L648 I670 L673 N674 I849 L960	W586-I651 HydrophobicContact CH2-CD1 4.49Å; W586-I651 HydrophobicContact CH2-CG1 4.08Å; W586-I651 HydrophobicContact CZ2-CD1 4.15Å; W586-I651 HydrophobicContact CZ2-CG1 4.1Å; S647-I651 PolarHBondContact O-N 3.09Å; L648-I651 WeakPolarHBondContact CA-O 3.43Å; I651-I670 HydrophobicContact CD1-CB 4.39Å; I651-I670 WeakPolarHBondContact CD1-O 3.29Å; I651-I670 HydrophobicContact CG2-CB 4.14Å; I651-I670 HydrophobicContact CG2-CG2 3.89Å; I651-L673 HydrophobicContact CD1-CB 4.04Å; I651-L673 HydrophobicContact CD1-CD2 3.81Å; I651-L673 HydrophobicContact CD1-CG 3.83Å; I651-L673 HydrophobicContact CG1-CD2 4.44Å; I651-N674 HydrophobicContact CD1-CB 4.39Å; I651-I849 HydrophobicContact CG1-CD1 4.14Å; I651-L960 HydrophobicContact CG2-CD1 3.52Å
652	T	83	Confident	90.1	Very high	36 Å²	36	53.2 Å²	53.2	22%	0.221	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-68.2	142.6	177.6	-54	0	0	0	0	110.3	K850	T652-K850 VanDerWaalsContact OG1-CG 3.25Å; T652-K850 WeakPolarHBondContact OG1-CG 3.43Å
653	K	88.4	Confident	90.2	Very high	113 Å²	113	49.8 Å²	49.8	49%	0.491	24%	0.238	S	C	.	.	P	Polyproline II helix	trans	-51.1	129.6	171.4	-174	-171.3	174.9	-167.2	0	109.2	L648 W667	L648-K653 HydrophobicContact CD2-CB 4.18Å; K653-W667 HydrophobicContact CD-CZ2 4.39Å; K653-W667 HydrophobicContact CG-CH2 4.08Å; K653-W667 HydrophobicContact CG-CZ2 3.86Å
654	P	89.6	Confident	90.4	Very high	2 Å²	2	49.7 Å²	49.7	1%	0.013	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-61.8	143.7	177.1	25.1	-33.4	0	0	0	110.4	R666 W667 I670 L960	P654-R666 HydrophobicContact CB-CB 3.73Å; P654-R666 HydrophobicContact CG-CB 4.14Å; P654-W667 HydrophobicContact CG-CD2 4.2Å; P654-W667 HydrophobicContact CG-CG 4.35Å; P654-W667 HydrophobicContact CG-CZ2 4.38Å; P654-I670 HydrophobicContact CG-CD1 4.44Å; P654-L960 HydrophobicContact CB-CD2 4.26Å
655	A	86.9	Confident	90.5	Very high	20 Å²	20	49.2 Å²	49.2	17%	0.165	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-60.2	139.8	167.9	0	0	0	0	0	109.8	R666 L960 K963	A655-R666 PolarHBondContact O-NE 3.03Å; A655-R666 PolarHBondContact O-NH1 3.29Å; A655-L960 PolarHBondContact N-O 2.98Å; A655-K963 HydrophobicContact CB-CG 4.2Å
656	D	88.2	Confident	90.5	Very high	91 Å²	91	43 Å²	43	49%	0.487	21%	0.212	S	C	.	.	P	Polyproline II helix	trans	-66.6	147.3	178.5	-60.4	-58	0	0	0	110.9
657	R	86.6	Confident	90.7	Very high	38 Å²	38	43.2 Å²	43.2	14%	0.143	21%	0.212	C	C	.	.			trans	-115	148.8	171.9	-67.9	-68.3	-172.7	147.3	-0.1	109.3	D659 R662 R666 M962 K963 E964	R657-D659 VanDerWaalsContact C-N 3.33Å; R657-R662 HydrophobicContact CB-CB 3.92Å; R657-R662 HydrophobicContact CG-CB 4.08Å; R657-R666 VanDerWaalsContact CG-NH1 3.34Å; R657-M962 PolarHBondContact NE-O 2.94Å; R657-M962 PolarHBondContact NH2-O 2.85Å; R657-K963 VanDerWaalsContact CD-O 3.26Å; R657-K963 WeakPolarHBondContact CD-O 3.23Å; R657-K963 PolarHBondContact NE-O 2.91Å; R657-K963 PolarHBondContact NH1-O 2.71Å; R657-E964 VanDerWaalsContact NH1-CA 3.29Å
658	Q	89.8	Confident	90.9	Very high	199 Å²	199	43.2 Å²	43.2	93%	0.93	21%	0.212	S	C	*	.	S	Bend	trans	-64.3	-38.7	175.7	-171.7	178.7	5.9	0	0	111.9	P660	Q658-P660 WeakPolarHBondContact O-CD 3.48Å
659	D	93.4	Very high	91.2	Very high	42 Å²	42	40.3 Å²	40.3	23%	0.225	20%	0.197	C	C	.	.	S	Bend	trans	-73.2	115.4	173.3	-177.9	-14.4	0	0	0	109.6	R657 I661 R662 N663 R911	R657-D659 VanDerWaalsContact C-N 3.33Å; D659-I661 PolarHBondContact O-N 3.41Å; D659-I661 WeakPolarHBondContact OD1-CB 3.41Å; D659-I661 PolarHBondContact OD1-N 2.84Å; D659-R662 HydrophobicContact CB-CB 3.97Å; D659-R662 HydrophobicContact CB-CG 3.79Å; D659-R662 WeakPolarHBondContact O-CB 3.38Å; D659-R662 PolarHBondContact O-N 3.1Å; D659-R662 VanDerWaalsContact O-N 3.12Å; D659-N663 PolarHBondContact O-N 3.16Å; D659-R911 IonicContact OD1-NH1 2.73Å; D659-R911 IonicContact OD2-CZ 2.6Å; D659-R911 VanDerWaalsContact OD2-CZ 3.32Å; D659-R911 IonicContact OD2-NH1 2.91Å; D659-R911 PolarHBondContact OD2-NH1 2.84Å; D659-R911 IonicContact OD2-NH2 3.61Å; D659-R911 PolarHBondContact OD2-NH2 3.46Å
660	P	95.9	Very high	91.6	Very high	41 Å²	41	34.9 Å²	34.9	27%	0.266	17%	0.171	S	C	.	.	H	α-helix	trans	-62.4	-30.5	-178.4	26.3	-35.2	0	0	0	112.6	W624 Q658 N663 Y664	W624-P660 HydrophobicContact CB-CB 4Å; W624-P660 HydrophobicContact CG-CB 4.44Å; Q658-P660 WeakPolarHBondContact O-CD 3.48Å; P660-N663 PolarHBondContact O-N 3.22Å; P660-Y664 PolarHBondContact O-N 3.32Å
661	I	96.3	Very high	92.2	Very high	6 Å²	6	33.1 Å²	33.1	3%	0.031	17%	0.165	C	C	.	.	H	α-helix	trans	-67.9	-40.8	177.5	-51.4	-174	0	0	0	109.9	I618 W624 D659 N663 Y664 S665 P910 R911 W953	I618-I661 HydrophobicContact CG1-CD1 4.39Å; W624-I661 HydrophobicContact CD2-CG1 4.07Å; W624-I661 HydrophobicContact CE3-CG2 4.49Å; W624-I661 HydrophobicContact CG-CG1 4.48Å; W624-I661 HydrophobicContact CH2-CG1 4.36Å; W624-I661 HydrophobicContact CH2-CG2 3.81Å; W624-I661 HydrophobicContact CZ2-CB 4.45Å; W624-I661 HydrophobicContact CZ2-CD1 3.93Å; W624-I661 HydrophobicContact CZ2-CG1 3.79Å; W624-I661 HydrophobicContact CZ2-CG2 4.09Å; W624-I661 HydrophobicContact CZ3-CG2 4.03Å; D659-I661 PolarHBondContact O-N 3.41Å; D659-I661 WeakPolarHBondContact OD1-CB 3.41Å; D659-I661 PolarHBondContact OD1-N 2.84Å; I661-N663 VanDerWaalsContact C-N 3.32Å; I661-Y664 PolarHBondContact O-N 3.22Å; I661-S665 WeakPolarHBondContact O-CB 3.34Å; I661-S665 PolarHBondContact O-N 2.9Å; I661-S665 PolarHBondContact O-OG 3.31Å; I661-P910 HydrophobicContact CG2-CG 3.5Å; I661-P910 VanDerWaalsContact CG2-CG 3.5Å; I661-R911 HydrophobicContact CD1-CG 3.75Å; I661-W953 HydrophobicContact CB-CH2 4.39Å; I661-W953 HydrophobicContact CG2-CH2 3.71Å; I661-W953 HydrophobicContact CG2-CZ3 4.16Å
662	R	93.7	Very high	92.7	Very high	47 Å²	47	33.1 Å²	33.1	18%	0.177	17%	0.165	C	C	.	.	H	α-helix	trans	-64.2	-39.6	173.6	-70.1	-72.4	-122.7	153.8	2.5	110.9	R657 D659 S665 R666 W953 E955	R657-R662 HydrophobicContact CB-CB 3.92Å; R657-R662 HydrophobicContact CG-CB 4.08Å; D659-R662 HydrophobicContact CB-CB 3.97Å; D659-R662 HydrophobicContact CB-CG 3.79Å; D659-R662 WeakPolarHBondContact O-CB 3.38Å; D659-R662 PolarHBondContact O-N 3.1Å; D659-R662 VanDerWaalsContact O-N 3.12Å; R662-S665 PolarHBondContact O-N 3.23Å; R662-R666 WeakPolarHBondContact O-CG 3.46Å; R662-R666 PolarHBondContact O-N 3.18Å; R662-W953 HydrophobicContact CG-CH2 4.29Å; R662-W953 HydrophobicContact CG-CZ2 4.2Å; R662-W953 VanDerWaalsContact NH1-CB 3.32Å; R662-E955 IonicContact NH1-OE1 2.58Å; R662-E955 PolarHBondContact NH1-OE1 2.95Å
663	N	94.4	Very high	93.2	Very high	37 Å²	37	31.4 Å²	31.4	20%	0.198	16%	0.155	C	C	.	.	H	α-helix	trans	-63.4	-48.8	177.2	-156.2	38.2	0	0	0	111.6	D659 P660 I661 S665 R666 W667	D659-N663 PolarHBondContact O-N 3.16Å; P660-N663 PolarHBondContact O-N 3.22Å; I661-N663 VanDerWaalsContact C-N 3.32Å; N663-S665 VanDerWaalsContact C-N 3.31Å; N663-S665 PolarHBondContact O-N 3.46Å; N663-R666 PolarHBondContact O-N 2.9Å; N663-W667 PolarHBondContact O-N 3.2Å
664	Y	96.6	Very high	93.6	Very high	2 Å²	2	26.1 Å²	26.1	1%	0.008	13%	0.132	C	C	.	.	H	α-helix	trans	-55.4	-46.7	173.3	-179.9	-82.6	0	0	0	111.9	I605 P606 P608 W611 W624 V626 M631 P660 I661 R666 W667 A668	I605-Y664 HydrophobicContact CD1-CE1 4.29Å; I605-Y664 HydrophobicContact CD1-CE2 4.05Å; P606-Y664 PolarHBondContact O-OH 3.12Å; P608-Y664 HydrophobicContact CB-CD1 4.38Å; P608-Y664 HydrophobicContact CG-CD1 4.19Å; P608-Y664 HydrophobicContact CG-CE1 4.38Å; W611-Y664 HydrophobicContact CB-CE1 3.88Å; W611-Y664 HydrophobicContact CB-CE2 4.21Å; W611-Y664 WeakPolarHBondContact CB-OH 3.32Å; W611-Y664 AromaticContact CD1-CE2 3.77Å; W611-Y664 AromaticContact CD2-CE2 3.74Å; W611-Y664 HydrophobicContact CD2-CE2 3.74Å; W611-Y664 AromaticContact CD2-CZ 3.85Å; W611-Y664 AromaticContact CE2-CE2 3.95Å; W611-Y664 HydrophobicContact CE3-CE2 4.37Å; W611-Y664 HydrophobicContact CG-CD2 4.41Å; W611-Y664 HydrophobicContact CG-CE1 4.17Å; W611-Y664 AromaticContact CG-CE2 3.62Å; W611-Y664 HydrophobicContact CG-CE2 3.62Å; W611-Y664 AromaticContact CG-CZ 3.49Å; W611-Y664 VanDerWaalsContact CG-CZ 3.49Å; W611-Y664 AromaticContact NE1-CE2 3.92Å; W624-Y664 AromaticContact CE3-CD1 3.95Å; W624-Y664 HydrophobicContact CE3-CD1 3.95Å; W624-Y664 AromaticContact CE3-CD2 3.83Å; W624-Y664 HydrophobicContact CE3-CD2 3.83Å; W624-Y664 AromaticContact CE3-CG 3.5Å; W624-Y664 HydrophobicContact CE3-CG 3.5Å; W624-Y664 VanDerWaalsContact CE3-CG 3.5Å; W624-Y664 AromaticContact CZ3-CD1 3.78Å; W624-Y664 HydrophobicContact CZ3-CD1 3.78Å; W624-Y664 HydrophobicContact CZ3-CD2 4.39Å; W624-Y664 HydrophobicContact CZ3-CE1 4.32Å; W624-Y664 AromaticContact CZ3-CG 3.86Å; W624-Y664 HydrophobicContact CZ3-CG 3.86Å; V626-Y664 HydrophobicContact CG1-CD2 3.5Å; V626-Y664 VanDerWaalsContact CG1-CD2 3.5Å; V626-Y664 HydrophobicContact CG1-CE2 3.88Å; V626-Y664 HydrophobicContact CG1-CG 4.26Å; M631-Y664 HydrophobicContact CE-CE2 3.69Å; P660-Y664 PolarHBondContact O-N 3.32Å; I661-Y664 PolarHBondContact O-N 3.22Å; Y664-R666 PolarHBondContact O-N 3.06Å; Y664-W667 CarbonylContact O-C 3.46Å; Y664-W667 WeakPolarHBondContact O-CA 3.35Å; Y664-W667 WeakPolarHBondContact O-CB 3.31Å; Y664-W667 PolarHBondContact O-N 3.4Å; Y664-A668 HydrophobicContact CD1-CB 4.39Å; Y664-A668 HydrophobicContact CE1-CB 4.12Å; Y664-A668 PolarHBondContact O-N 3.5Å
665	S	95.5	Very high	93.9	Very high	3 Å²	3	26 Å²	26	2%	0.021	13%	0.131	C	C	.	.	H	α-helix	trans	-60.1	-33.3	-177.3	-60.1	0	0	0	0	113	P608 I661 R662 N663 Y669 W953	P608-S665 WeakPolarHBondContact CG-OG 3.45Å; I661-S665 WeakPolarHBondContact O-CB 3.34Å; I661-S665 PolarHBondContact O-N 2.9Å; I661-S665 PolarHBondContact O-OG 3.31Å; R662-S665 PolarHBondContact O-N 3.23Å; N663-S665 VanDerWaalsContact C-N 3.31Å; N663-S665 PolarHBondContact O-N 3.46Å; S665-Y669 WeakPolarHBondContact O-CB 2.95Å; S665-Y669 PolarHBondContact O-N 3.47Å; S665-W953 VanDerWaalsContact OG-CZ3 3.28Å; S665-W953 WeakPolarHBondContact OG-CZ3 3.13Å
666	R	93.6	Very high	94.3	Very high	1 Å²	1	25.2 Å²	25.2	0%	0.004	12%	0.124	C	C	.	.	H	α-helix	trans	-71.4	-39.8	174.5	-66.2	171.4	81.7	157.8	16.5	111.6	P654 A655 R657 R662 N663 Y664 Y669 I670 T959 L960 M962	P654-R666 HydrophobicContact CB-CB 3.73Å; P654-R666 HydrophobicContact CG-CB 4.14Å; A655-R666 PolarHBondContact O-NE 3.03Å; A655-R666 PolarHBondContact O-NH1 3.29Å; R657-R666 VanDerWaalsContact CG-NH1 3.34Å; R662-R666 WeakPolarHBondContact O-CG 3.46Å; R662-R666 PolarHBondContact O-N 3.18Å; N663-R666 PolarHBondContact O-N 2.9Å; Y664-R666 PolarHBondContact O-N 3.06Å; R666-Y669 WeakPolarHBondContact O-CB 3.38Å; R666-Y669 PolarHBondContact O-N 2.89Å; R666-I670 WeakPolarHBondContact O-CG2 3.26Å; R666-I670 PolarHBondContact O-N 3.34Å; R666-T959 PolarHBondContact NH2-O 3.1Å; R666-L960 PolarHBondContact NH2-O 2.92Å; R666-M962 PolarHBondContact NH1-O 2.73Å; R666-M962 PolarHBondContact NH2-O 3.27Å
667	W	95.4	Very high	94.6	Very high	9 Å²	9	21.9 Å²	21.9	3%	0.034	11%	0.106	C	C	.	.	H	α-helix	trans	-65.1	-38.3	172.3	-80	104.4	0	0	0	112.8	I605 V626 F627 L644 L648 K653 P654 N663 Y664 Y669 I670 S671	I605-W667 HydrophobicContact CD1-CB 4.1Å; V626-W667 HydrophobicContact CB-CB 4.41Å; V626-W667 HydrophobicContact CB-CG 4.46Å; V626-W667 HydrophobicContact CG1-CB 3.8Å; V626-W667 HydrophobicContact CG1-CG 4.2Å; V626-W667 HydrophobicContact CG2-CB 4.03Å; V626-W667 HydrophobicContact CG2-CD2 3.77Å; V626-W667 HydrophobicContact CG2-CE3 4.37Å; V626-W667 HydrophobicContact CG2-CG 3.58Å; F627-W667 HydrophobicContact CE2-CD2 4.41Å; F627-W667 HydrophobicContact CE2-CE3 4.34Å; F627-W667 AromaticContact CE2-CH2 3.6Å; F627-W667 HydrophobicContact CE2-CH2 3.6Å; F627-W667 AromaticContact CE2-CZ2 3.64Å; F627-W667 HydrophobicContact CE2-CZ2 3.64Å; F627-W667 AromaticContact CE2-CZ3 3.95Å; F627-W667 HydrophobicContact CE2-CZ3 3.95Å; F627-W667 HydrophobicContact CZ-CE3 4.34Å; F627-W667 AromaticContact CZ-CH2 3.75Å; F627-W667 HydrophobicContact CZ-CH2 3.75Å; F627-W667 HydrophobicContact CZ-CZ2 4.27Å; F627-W667 AromaticContact CZ-CZ3 3.77Å; F627-W667 HydrophobicContact CZ-CZ3 3.77Å; L644-W667 HydrophobicContact CD1-CE3 4.15Å; L644-W667 HydrophobicContact CD2-CE3 4.2Å; L644-W667 HydrophobicContact CG-CE3 4.2Å; L644-W667 HydrophobicContact CG-CZ3 4.33Å; L648-W667 HydrophobicContact CD1-CH2 4.05Å; L648-W667 HydrophobicContact CD1-CZ3 4.3Å; L648-W667 HydrophobicContact CD2-CH2 4.02Å; L648-W667 HydrophobicContact CD2-CZ3 3.99Å; L648-W667 HydrophobicContact CG-CH2 4.48Å; L648-W667 HydrophobicContact CG-CZ3 4.37Å; K653-W667 HydrophobicContact CD-CZ2 4.39Å; K653-W667 HydrophobicContact CG-CH2 4.08Å; K653-W667 HydrophobicContact CG-CZ2 3.86Å; P654-W667 HydrophobicContact CG-CD2 4.2Å; P654-W667 HydrophobicContact CG-CG 4.35Å; P654-W667 HydrophobicContact CG-CZ2 4.38Å; N663-W667 PolarHBondContact O-N 3.2Å; Y664-W667 CarbonylContact O-C 3.46Å; Y664-W667 WeakPolarHBondContact O-CA 3.35Å; Y664-W667 WeakPolarHBondContact O-CB 3.31Å; Y664-W667 PolarHBondContact O-N 3.4Å; W667-Y669 VanDerWaalsContact C-N 3.34Å; W667-I670 HydrophobicContact CD2-CD1 4.09Å; W667-I670 HydrophobicContact CE3-CD1 3.3Å; W667-I670 HydrophobicContact CE3-CG1 4Å; W667-I670 HydrophobicContact CH2-CD1 4.26Å; W667-I670 HydrophobicContact CZ3-CD1 3.42Å; W667-I670 VanDerWaalsContact CZ3-CD1 3.42Å; W667-I670 HydrophobicContact CZ3-CG1 4.49Å; W667-I670 WeakPolarHBondContact O-CG1 3.4Å; W667-I670 PolarHBondContact O-N 3.1Å; W667-S671 WeakPolarHBondContact O-CB 3.48Å; W667-S671 PolarHBondContact O-N 2.83Å; W667-S671 PolarHBondContact O-OG 2.99Å; W667-S671 VanDerWaalsContact O-OG 3.09Å
668	A	96.1	Very high	95	Very high	2 Å²	2	20.2 Å²	20.2	2%	0.017	10%	0.1	C	C	.	.	H	α-helix	trans	-60	-48.4	172	0	0	0	0	0	110.2	I605 Y664 I670 S671 Q672	I605-A668 HydrophobicContact CD1-CB 4.01Å; I605-A668 VanDerWaalsContact CG1-CA 3.49Å; I605-A668 HydrophobicContact CG1-CB 3.86Å; Y664-A668 HydrophobicContact CD1-CB 4.39Å; Y664-A668 HydrophobicContact CE1-CB 4.12Å; Y664-A668 PolarHBondContact O-N 3.5Å; A668-I670 PolarHBondContact O-N 3.29Å; A668-S671 PolarHBondContact O-N 2.89Å; A668-S671 PolarHBondContact O-OG 2.69Å; A668-S671 VanDerWaalsContact O-OG 3.08Å; A668-Q672 VanDerWaalsContact O-CB 3.28Å; A668-Q672 WeakPolarHBondContact O-CB 3.18Å; A668-Q672 WeakPolarHBondContact O-CG 3.49Å; A668-Q672 PolarHBondContact O-N 2.02Å
669	Y	95.4	Very high	95.4	Very high	1 Å²	1	10.8 Å²	10.8	0%	0.004	6%	0.056	C	C	.	.	H	α-helix	trans	-56.9	-49.4	175.7	172.2	-92.4	0	0	0	113	S665 R666 W667 S671 L673 L736 F903 H905 E955 S956 L957 L960	S665-Y669 WeakPolarHBondContact O-CB 2.95Å; S665-Y669 PolarHBondContact O-N 3.47Å; R666-Y669 WeakPolarHBondContact O-CB 3.38Å; R666-Y669 PolarHBondContact O-N 2.89Å; W667-Y669 VanDerWaalsContact C-N 3.34Å; Y669-S671 PolarHBondContact O-N 3.38Å; Y669-L673 HydrophobicContact CE1-CD2 4.12Å; Y669-L673 WeakPolarHBondContact O-CB 3.22Å; Y669-L673 PolarHBondContact O-N 3.24Å; Y669-L736 HydrophobicContact CD2-CD2 3.84Å; Y669-L736 HydrophobicContact CE2-CD2 3.92Å; Y669-F903 WeakPolarHBondContact CE2-O 3.38Å; Y669-F903 VanDerWaalsContact OH-CB 3.31Å; Y669-F903 WeakPolarHBondContact OH-CB 3.48Å; Y669-F903 PolarHBondContact OH-O 2.78Å; Y669-H905 HydrophobicContact CD2-CB 3.65Å; Y669-H905 AromaticContact CD2-ND1 3.98Å; Y669-H905 HydrophobicContact CE2-CB 3.66Å; Y669-E955 HydrophobicContact CD2-CB 3.86Å; Y669-E955 HydrophobicContact CE2-CB 4.12Å; Y669-E955 HydrophobicContact CG-CB 4.09Å; Y669-S956 VanDerWaalsContact OH-C 3.23Å; Y669-L957 PolarHBondContact OH-N 3.14Å; Y669-L957 VanDerWaalsContact OH-N 3.12Å; Y669-L960 HydrophobicContact CD1-CD2 3.75Å; Y669-L960 HydrophobicContact CD1-CG 4.44Å; Y669-L960 HydrophobicContact CE1-CD1 4.05Å; Y669-L960 HydrophobicContact CE1-CD2 3.88Å; Y669-L960 HydrophobicContact CE1-CG 4.07Å
670	I	94.4	Very high	95.4	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-67	-38.7	-177.9	76.6	177	0	0	0	112.4	L648 I651 P654 R666 W667 A668 L673 N674 L960	L648-I670 HydrophobicContact CD2-CD1 3.8Å; I651-I670 HydrophobicContact CD1-CB 4.39Å; I651-I670 WeakPolarHBondContact CD1-O 3.29Å; I651-I670 HydrophobicContact CG2-CB 4.14Å; I651-I670 HydrophobicContact CG2-CG2 3.89Å; P654-I670 HydrophobicContact CG-CD1 4.44Å; R666-I670 WeakPolarHBondContact O-CG2 3.26Å; R666-I670 PolarHBondContact O-N 3.34Å; W667-I670 HydrophobicContact CD2-CD1 4.09Å; W667-I670 HydrophobicContact CE3-CD1 3.3Å; W667-I670 HydrophobicContact CE3-CG1 4Å; W667-I670 HydrophobicContact CH2-CD1 4.26Å; W667-I670 HydrophobicContact CZ3-CD1 3.42Å; W667-I670 VanDerWaalsContact CZ3-CD1 3.42Å; W667-I670 HydrophobicContact CZ3-CG1 4.49Å; W667-I670 WeakPolarHBondContact O-CG1 3.4Å; W667-I670 PolarHBondContact O-N 3.1Å; A668-I670 PolarHBondContact O-N 3.29Å; I670-L673 PolarHBondContact O-N 3.06Å; I670-N674 PolarHBondContact O-N 3.25Å; I670-L960 HydrophobicContact CG2-CD1 3.93Å; I670-L960 HydrophobicContact CG2-CD2 3.94Å
671	S	96.4	Very high	95.3	Very high	4 Å²	4	9.9 Å²	9.9	3%	0.028	5%	0.045	C	C	.	.	H	α-helix	trans	-71.5	-41.3	-178.3	67.1	0	0	0	0	111.3	I605 W667 A668 Y669 N674 Q675	I605-S671 WeakPolarHBondContact CG1-OG 3.21Å; I605-S671 PolarHBondContact N-OG 2.87Å; W667-S671 WeakPolarHBondContact O-CB 3.48Å; W667-S671 PolarHBondContact O-N 2.83Å; W667-S671 PolarHBondContact O-OG 2.99Å; W667-S671 VanDerWaalsContact O-OG 3.09Å; A668-S671 PolarHBondContact O-N 2.89Å; A668-S671 PolarHBondContact O-OG 2.69Å; A668-S671 VanDerWaalsContact O-OG 3.08Å; Y669-S671 PolarHBondContact O-N 3.38Å; S671-N674 PolarHBondContact O-N 3.14Å; S671-Q675 PolarHBondContact O-N 3.42Å
672	Q	96.7	Very high	95.3	Very high	2 Å²	2	10 Å²	10	1%	0.009	5%	0.045	C	C	.	.	H	α-helix	trans	-69.9	-33.4	175.4	-66.7	-176.3	19.8	0	0	112.1	I605 A668 Q675 L676 K735 L736	I605-Q672 PolarHBondContact O-NE2 3.29Å; I605-Q672 VanDerWaalsContact O-NE2 3.1Å; A668-Q672 VanDerWaalsContact O-CB 3.28Å; A668-Q672 WeakPolarHBondContact O-CB 3.18Å; A668-Q672 WeakPolarHBondContact O-CG 3.49Å; A668-Q672 PolarHBondContact O-N 2.02Å; Q672-Q675 PolarHBondContact O-N 2.89Å; Q672-L676 WeakPolarHBondContact O-CB 3.47Å; Q672-L676 PolarHBondContact O-N 2.73Å; Q672-K735 HydrophobicContact CG-CB 4.24Å; Q672-K735 HydrophobicContact CG-CD 4.15Å; Q672-K735 HydrophobicContact CG-CG 4.42Å; Q672-K735 VanDerWaalsContact OE1-CB 3.31Å; Q672-L736 HydrophobicContact CB-CB 4.06Å; Q672-L736 HydrophobicContact CB-CD1 4.13Å; Q672-L736 HydrophobicContact CB-CG 4.48Å
673	L	94.9	Very high	95.4	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-65.6	-41.7	172.1	177.5	57.3	0	0	0	111.3	I651 Y669 I670 L676 M677 L736 F903 L957	I651-L673 HydrophobicContact CD1-CB 4.04Å; I651-L673 HydrophobicContact CD1-CD2 3.81Å; I651-L673 HydrophobicContact CD1-CG 3.83Å; I651-L673 HydrophobicContact CG1-CD2 4.44Å; Y669-L673 HydrophobicContact CE1-CD2 4.12Å; Y669-L673 WeakPolarHBondContact O-CB 3.22Å; Y669-L673 PolarHBondContact O-N 3.24Å; I670-L673 PolarHBondContact O-N 3.06Å; L673-L676 HydrophobicContact CD1-CD1 4.35Å; L673-L676 WeakPolarHBondContact O-CB 3.24Å; L673-L676 PolarHBondContact O-N 3.46Å; L673-M677 HydrophobicContact CD1-CG 4.34Å; L673-M677 WeakPolarHBondContact O-CG 2.99Å; L673-M677 PolarHBondContact O-N 2.81Å; L673-L736 HydrophobicContact CB-CD2 4.04Å; L673-F903 HydrophobicContact CD1-CB 4.04Å; L673-F903 HydrophobicContact CD1-CD1 3.28Å; L673-F903 HydrophobicContact CD1-CD2 4.16Å; L673-F903 HydrophobicContact CD1-CE1 3.63Å; L673-F903 HydrophobicContact CD1-CE2 4.45Å; L673-F903 HydrophobicContact CD1-CG 3.56Å; L673-F903 HydrophobicContact CD1-CZ 4.2Å; L673-F903 HydrophobicContact CD2-CB 4.21Å; L673-F903 HydrophobicContact CD2-CD2 4.24Å; L673-F903 HydrophobicContact CD2-CG 4.14Å; L673-L957 HydrophobicContact CD2-CD1 4.03Å
674	N	95.2	Very high	95.3	Very high	2 Å²	2	6.1 Å²	6.1	1%	0.011	3%	0.028	C	C	.	.	H	α-helix	trans	-61	-46.6	173.1	-175.3	58.1	0	0	0	111.3	W586 Y650 I651 I670 S671 L676 M677 C678	W586-N674 PolarHBondContact NE1-OD1 3Å; Y650-N674 WeakPolarHBondContact CD2-OD1 3.39Å; I651-N674 HydrophobicContact CD1-CB 4.39Å; I670-N674 PolarHBondContact O-N 3.25Å; S671-N674 PolarHBondContact O-N 3.14Å; N674-L676 VanDerWaalsContact C-N 3.35Å; N674-L676 PolarHBondContact O-N 3.4Å; N674-M677 PolarHBondContact O-N 3.45Å; N674-C678 PolarHBondContact O-N 2.78Å; N674-C678 PolarHBondContact O-SG 3.1Å
675	Q	97.1	Very high	95.2	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-58.6	-45	175.8	-178.2	-168.8	66.3	0	0	112.2	I602 S604 S671 Q672 M677 C678 L679 W725 S726 S737	I602-Q675 HydrophobicContact CG2-CB 3.92Å; I602-Q675 HydrophobicContact CG2-CG 3.87Å; I602-Q675 WeakPolarHBondContact O-CG 3.38Å; I602-Q675 PolarHBondContact O-NE2 3.12Å; S604-Q675 VanDerWaalsContact OG-CD 3.26Å; S604-Q675 PolarHBondContact OG-NE2 2.72Å; S604-Q675 PolarHBondContact OG-OE1 2.92Å; S604-Q675 VanDerWaalsContact OG-OE1 3.12Å; S671-Q675 PolarHBondContact O-N 3.42Å; Q672-Q675 PolarHBondContact O-N 2.89Å; Q675-M677 VanDerWaalsContact C-N 3.33Å; Q675-M677 PolarHBondContact O-N 3.39Å; Q675-C678 PolarHBondContact O-N 2.86Å; Q675-L679 HydrophobicContact CG-CD1 3.9Å; Q675-L679 HydrophobicContact CG-CG 4.37Å; Q675-L679 WeakPolarHBondContact O-CB 3.45Å; Q675-L679 WeakPolarHBondContact O-CG 3.2Å; Q675-L679 PolarHBondContact O-N 2.56Å; Q675-W725 PolarHBondContact NE2-O 2.89Å; Q675-S726 PolarHBondContact NE2-O 3.49Å; Q675-S726 PolarHBondContact OE1-O 3.28Å; Q675-S737 VanDerWaalsContact OE1-CB 3.29Å; Q675-S737 PolarHBondContact OE1-OG 3.21Å
676	L	95.7	Very high	95.1	Very high	2 Å²	2	6 Å²	6	1%	0.01	3%	0.028	C	C	.	.	H	α-helix	trans	-53.5	-52	174.6	175.2	171.8	0	0	0	110.5	Q672 L673 N674 C678 L679 R680 L736 S740 A741 F903	Q672-L676 WeakPolarHBondContact O-CB 3.47Å; Q672-L676 PolarHBondContact O-N 2.73Å; L673-L676 HydrophobicContact CD1-CD1 4.35Å; L673-L676 WeakPolarHBondContact O-CB 3.24Å; L673-L676 PolarHBondContact O-N 3.46Å; N674-L676 VanDerWaalsContact C-N 3.35Å; N674-L676 PolarHBondContact O-N 3.4Å; L676-C678 PolarHBondContact O-N 3.41Å; L676-L679 PolarHBondContact O-N 2.83Å; L676-R680 WeakPolarHBondContact O-CB 2.9Å; L676-R680 PolarHBondContact O-N 3.06Å; L676-L736 HydrophobicContact CD1-CB 4.06Å; L676-S740 VanDerWaalsContact CD1-CB 3.49Å; L676-A741 HydrophobicContact CG-CB 4.22Å; L676-A741 WeakPolarHBondContact O-CB 3.35Å; L676-F903 HydrophobicContact CD2-CE1 4.48Å
677	M	93.6	Very high	95.1	Very high	22 Å²	22	6.2 Å²	6.2	11%	0.108	3%	0.029	C	C	.	.	H	α-helix	trans	-64.7	-41.9	-176	-71.2	-58	-61.4	0	0	111.9	W586 L673 N674 Q675 R680 T681 F903	W586-M677 HydrophobicContact CD2-CB 3.82Å; W586-M677 HydrophobicContact CD2-CE 4.21Å; W586-M677 HydrophobicContact CD2-CG 4.15Å; W586-M677 VanDerWaalsContact CE2-CB 3.42Å; W586-M677 HydrophobicContact CE3-CE 4.02Å; W586-M677 HydrophobicContact CE3-CG 4.45Å; W586-M677 HydrophobicContact CG-CB 4.02Å; W586-M677 HydrophobicContact CH2-CG 4.02Å; W586-M677 HydrophobicContact CZ2-CB 3.86Å; W586-M677 HydrophobicContact CZ2-CG 3.67Å; W586-M677 HydrophobicContact CZ3-CE 4.36Å; W586-M677 HydrophobicContact CZ3-CG 4.4Å; L673-M677 HydrophobicContact CD1-CG 4.34Å; L673-M677 WeakPolarHBondContact O-CG 2.99Å; L673-M677 PolarHBondContact O-N 2.81Å; N674-M677 PolarHBondContact O-N 3.45Å; Q675-M677 VanDerWaalsContact C-N 3.33Å; Q675-M677 PolarHBondContact O-N 3.39Å; M677-R680 PolarHBondContact O-N 3.17Å; M677-T681 WeakPolarHBondContact O-CB 3.3Å; M677-T681 PolarHBondContact O-N 2.95Å; M677-T681 PolarHBondContact O-OG1 2.91Å; M677-T681 VanDerWaalsContact O-OG1 3.07Å; M677-F903 HydrophobicContact SD-CE1 3.81Å; M677-F903 HydrophobicContact SD-CZ 3.72Å
678	C	95.5	Very high	94.9	Very high	2 Å²	2	5.8 Å²	5.8	1%	0.014	3%	0.027	C	C	.	.	H	α-helix	trans	-62.7	-49.5	177.4	-61.4	0	0	0	0	111.9	L585 I602 N674 Q675 L676 T681 Q682	L585-C678 VanDerWaalsContact CB-SG 3.53Å; I602-C678 HydrophobicContact CG2-CB 3.75Å; N674-C678 PolarHBondContact O-N 2.78Å; N674-C678 PolarHBondContact O-SG 3.1Å; Q675-C678 PolarHBondContact O-N 2.86Å; L676-C678 PolarHBondContact O-N 3.41Å; C678-T681 PolarHBondContact O-N 3.17Å; C678-Q682 PolarHBondContact O-N 3.41Å; C678-Q682 VanDerWaalsContact O-N 3.14Å
679	L	96.6	Very high	94.7	Very high	1 Å²	1	6.4 Å²	6.4	1%	0.005	3%	0.029	C	C	.	.	H	α-helix	trans	-63.4	-44.3	179	-72.5	175.1	0	0	0	111.3	F600 Q675 L676 T681 Q682 I683 T727 A741	F600-L679 HydrophobicContact CD2-CD2 4.01Å; F600-L679 HydrophobicContact CE2-CD2 3.81Å; Q675-L679 HydrophobicContact CG-CD1 3.9Å; Q675-L679 HydrophobicContact CG-CG 4.37Å; Q675-L679 WeakPolarHBondContact O-CB 3.45Å; Q675-L679 WeakPolarHBondContact O-CG 3.2Å; Q675-L679 PolarHBondContact O-N 2.56Å; L676-L679 PolarHBondContact O-N 2.83Å; L679-T681 VanDerWaalsContact C-N 3.32Å; L679-T681 PolarHBondContact O-N 2.67Å; L679-Q682 PolarHBondContact O-N 2.72Å; L679-I683 WeakPolarHBondContact O-CB 3.33Å; L679-I683 WeakPolarHBondContact O-CD1 3.48Å; L679-I683 VanDerWaalsContact O-CG1 3.23Å; L679-I683 WeakPolarHBondContact O-CG1 3.31Å; L679-I683 PolarHBondContact O-N 2.92Å; L679-T727 HydrophobicContact CD1-CG2 3.9Å; L679-A741 HydrophobicContact CB-CB 3.84Å
680	R	94	Very high	94.6	Very high	54 Å²	54	7.1 Å²	7.1	20%	0.204	3%	0.033	C	C	.	.	H	α-helix	trans	-56	-46.7	175.2	168.1	-175.7	162.1	163.3	3.5	111.3	L676 M677 N684 A741 Y745	L676-R680 WeakPolarHBondContact O-CB 2.9Å; L676-R680 PolarHBondContact O-N 3.06Å; M677-R680 PolarHBondContact O-N 3.17Å; R680-N684 WeakPolarHBondContact CG-ND2 3.32Å; R680-N684 VanDerWaalsContact O-CB 3.26Å; R680-N684 WeakPolarHBondContact O-CB 3.49Å; R680-N684 PolarHBondContact O-N 3.36Å; R680-N684 PolarHBondContact O-ND2 3.19Å; R680-N684 VanDerWaalsContact O-ND2 3.09Å; R680-A741 HydrophobicContact CB-CB 4.34Å; R680-Y745 HydrophobicContact CB-CE2 4.33Å; R680-Y745 VanDerWaalsContact CD-CZ 3.48Å; R680-Y745 WeakPolarHBondContact CD-OH 3.45Å; R680-Y745 HydrophobicContact CG-CD1 4.36Å; R680-Y745 HydrophobicContact CG-CD2 4.23Å; R680-Y745 HydrophobicContact CG-CE1 3.9Å; R680-Y745 HydrophobicContact CG-CE2 3.71Å; R680-Y745 PolarHBondContact NE-OH 3.42Å; R680-Y745 PolarHBondContact NH1-OH 3.47Å; R680-Y745 VanDerWaalsContact NH1-OH 3.12Å; R680-Y745 PolarHBondContact NH2-OH 2.98Å
681	T	94.4	Very high	94.4	Very high	11 Å²	11	7.4 Å²	7.4	7%	0.067	4%	0.035	C	C	.	.	H	α-helix	trans	-62.4	-46.3	-178.3	-68.6	0	0	0	0	111.1	W586 E588 F591 M677 C678 L679 N684 L685	W586-T681 WeakPolarHBondContact O-CG2 3.44Å; W586-T681 PolarHBondContact O-OG1 3.36Å; W586-T681 VanDerWaalsContact O-OG1 3.11Å; E588-T681 HydrophobicContact CB-CG2 4.39Å; E588-T681 HydrophobicContact CG-CG2 3.83Å; F591-T681 HydrophobicContact CD2-CG2 4.05Å; F591-T681 HydrophobicContact CE2-CG2 3.64Å; M677-T681 WeakPolarHBondContact O-CB 3.3Å; M677-T681 PolarHBondContact O-N 2.95Å; M677-T681 PolarHBondContact O-OG1 2.91Å; M677-T681 VanDerWaalsContact O-OG1 3.07Å; C678-T681 PolarHBondContact O-N 3.17Å; L679-T681 VanDerWaalsContact C-N 3.32Å; L679-T681 PolarHBondContact O-N 2.67Å; T681-N684 PolarHBondContact O-N 3.46Å; T681-L685 PolarHBondContact O-N 2.91Å
682	Q	95.5	Very high	94.1	Very high	7 Å²	7	8.4 Å²	8.4	3%	0.033	4%	0.038	C	C	.	.	H	α-helix	trans	-64.5	-49.3	177.1	-73.3	-174.3	81.4	0	0	112.7	F591 F600 C678 L679 N684 L685 Y686	F591-Q682 HydrophobicContact CB-CG 4.39Å; F591-Q682 HydrophobicContact CD1-CG 3.4Å; F591-Q682 HydrophobicContact CD2-CG 3.68Å; F591-Q682 HydrophobicContact CE1-CG 3.43Å; F591-Q682 VanDerWaalsContact CE1-CG 3.43Å; F591-Q682 HydrophobicContact CE2-CG 3.69Å; F591-Q682 HydrophobicContact CG-CG 3.55Å; F591-Q682 HydrophobicContact CZ-CG 3.58Å; F600-Q682 HydrophobicContact CD2-CB 3.89Å; F600-Q682 HydrophobicContact CD2-CG 4.34Å; F600-Q682 HydrophobicContact CE2-CB 3.82Å; C678-Q682 PolarHBondContact O-N 3.41Å; C678-Q682 VanDerWaalsContact O-N 3.14Å; L679-Q682 PolarHBondContact O-N 2.72Å; Q682-N684 PolarHBondContact O-N 2.98Å; Q682-L685 WeakPolarHBondContact O-CB 3.21Å; Q682-L685 PolarHBondContact O-N 3.04Å; Q682-L685 VanDerWaalsContact O-N 3.12Å; Q682-Y686 HydrophobicContact CB-CD2 4.35Å; Q682-Y686 HydrophobicContact CB-CE2 3.79Å; Q682-Y686 HydrophobicContact CG-CE2 4.48Å; Q682-Y686 WeakPolarHBondContact O-CD2 3.22Å; Q682-Y686 VanDerWaalsContact O-CG 3.28Å; Q682-Y686 PolarHBondContact O-N 2.98Å
683	I	95.4	Very high	93.5	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-57.5	-40.8	177.2	-69.9	166.2	0	0	0	110.9	F600 L679 M687 I742 Y746	F600-I683 HydrophobicContact CE2-CG1 4.18Å; F600-I683 HydrophobicContact CZ-CG1 3.96Å; L679-I683 WeakPolarHBondContact O-CB 3.33Å; L679-I683 WeakPolarHBondContact O-CD1 3.48Å; L679-I683 VanDerWaalsContact O-CG1 3.23Å; L679-I683 WeakPolarHBondContact O-CG1 3.31Å; L679-I683 PolarHBondContact O-N 2.92Å; I683-M687 HydrophobicContact CG2-CG 4.37Å; I683-M687 HydrophobicContact CG2-SD 3.8Å; I683-M687 WeakPolarHBondContact O-CB 3.39Å; I683-M687 VanDerWaalsContact O-CG 3.3Å; I683-M687 WeakPolarHBondContact O-CG 3.29Å; I683-M687 PolarHBondContact O-N 2.84Å; I683-I742 HydrophobicContact CD1-CD1 3.81Å; I683-Y746 HydrophobicContact CB-CE1 4.26Å; I683-Y746 HydrophobicContact CD1-CD1 4.27Å; I683-Y746 HydrophobicContact CD1-CE1 3.62Å; I683-Y746 HydrophobicContact CG1-CE1 3.7Å; I683-Y746 HydrophobicContact CG2-CD1 3.82Å; I683-Y746 HydrophobicContact CG2-CE1 3.55Å
684	N	93.7	Very high	92.9	Very high	3 Å²	3	12 Å²	12	2%	0.016	5%	0.052	C	C	.	.	H	α-helix	trans	-63.3	-49.1	175.1	-77.9	-29.7	0	0	0	112.2	R680 T681 Q682 Y686 M687 R688 Y745 R753 A755	R680-N684 WeakPolarHBondContact CG-ND2 3.32Å; R680-N684 VanDerWaalsContact O-CB 3.26Å; R680-N684 WeakPolarHBondContact O-CB 3.49Å; R680-N684 PolarHBondContact O-N 3.36Å; R680-N684 PolarHBondContact O-ND2 3.19Å; R680-N684 VanDerWaalsContact O-ND2 3.09Å; T681-N684 PolarHBondContact O-N 3.46Å; Q682-N684 PolarHBondContact O-N 2.98Å; N684-Y686 VanDerWaalsContact C-N 3.32Å; N684-Y686 PolarHBondContact O-N 2.73Å; N684-M687 PolarHBondContact O-N 3.3Å; N684-R688 VanDerWaalsContact O-CB 3.28Å; N684-R688 WeakPolarHBondContact O-CB 3.46Å; N684-R688 WeakPolarHBondContact O-CD 3.37Å; N684-R688 WeakPolarHBondContact O-CG 2.99Å; N684-R688 PolarHBondContact O-N 2.85Å; N684-Y745 WeakPolarHBondContact ND2-CE1 3.46Å; N684-Y745 WeakPolarHBondContact OD1-CD1 3.2Å; N684-Y745 WeakPolarHBondContact OD1-CE1 3.3Å; N684-R753 PolarHBondContact OD1-NH1 2.75Å; N684-R753 PolarHBondContact OD1-NH2 3.45Å; N684-R753 VanDerWaalsContact OD1-NH2 3.12Å; N684-A755 HydrophobicContact CB-CB 4.44Å
685	L	93.7	Very high	92.1	Very high	4 Å²	4	14.2 Å²	14.2	2%	0.021	6%	0.063	C	C	.	.	H	α-helix	trans	-51.8	-54.7	177.3	172	65.1	0	0	0	110.2	E588 F591 L593 T681 Q682 R688 H689	E588-L685 HydrophobicContact CB-CB 4.35Å; E588-L685 HydrophobicContact CB-CD1 4.16Å; E588-L685 HydrophobicContact CG-CB 3.95Å; E588-L685 HydrophobicContact CG-CD1 4.47Å; E588-L685 PolarHBondContact OE1-N 2.82Å; F591-L685 HydrophobicContact CB-CD2 3.61Å; L593-L685 HydrophobicContact CD1-CD1 4.17Å; L593-L685 HydrophobicContact CD2-CD1 3.69Å; L593-L685 HydrophobicContact CD2-CD2 4.04Å; L593-L685 HydrophobicContact CD2-CG 3.56Å; L593-L685 HydrophobicContact CG-CD1 3.97Å; L593-L685 HydrophobicContact CG-CD2 4.26Å; L593-L685 HydrophobicContact CG-CG 4.17Å; T681-L685 PolarHBondContact O-N 2.91Å; Q682-L685 WeakPolarHBondContact O-CB 3.21Å; Q682-L685 PolarHBondContact O-N 3.04Å; Q682-L685 VanDerWaalsContact O-N 3.12Å; L685-R688 PolarHBondContact O-N 2.87Å; L685-H689 PolarHBondContact O-N 2.92Å; L685-H689 PolarHBondContact O-ND1 2.97Å
686	Y	94.5	Very high	90.9	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-65.6	-46	-174.6	-60	-38.6	0	0	0	113.2	V592 L593 I597 F600 Q682 N684 R688 H689 K690 T708 T711	V592-Y686 VanDerWaalsContact O-CE1 3.24Å; V592-Y686 WeakPolarHBondContact O-CE1 3.29Å; V592-Y686 PolarHBondContact O-OH 2.99Å; L593-Y686 HydrophobicContact CD2-CD1 3.95Å; L593-Y686 HydrophobicContact CD2-CE1 4.3Å; I597-Y686 HydrophobicContact CB-CE2 4.22Å; I597-Y686 HydrophobicContact CD1-CE1 3.96Å; I597-Y686 HydrophobicContact CG1-CD1 3.95Å; I597-Y686 HydrophobicContact CG1-CD2 4.06Å; I597-Y686 HydrophobicContact CG1-CE1 3.65Å; I597-Y686 HydrophobicContact CG1-CE2 3.74Å; I597-Y686 HydrophobicContact CG1-CG 4.18Å; I597-Y686 HydrophobicContact CG2-CE2 4.3Å; F600-Y686 HydrophobicContact CD1-CE2 4.4Å; F600-Y686 HydrophobicContact CE1-CE2 4.39Å; F600-Y686 HydrophobicContact CZ-CE2 4.5Å; Q682-Y686 HydrophobicContact CB-CD2 4.35Å; Q682-Y686 HydrophobicContact CB-CE2 3.79Å; Q682-Y686 HydrophobicContact CG-CE2 4.48Å; Q682-Y686 WeakPolarHBondContact O-CD2 3.22Å; Q682-Y686 VanDerWaalsContact O-CG 3.28Å; Q682-Y686 PolarHBondContact O-N 2.98Å; N684-Y686 VanDerWaalsContact C-N 3.32Å; N684-Y686 PolarHBondContact O-N 2.73Å; Y686-R688 VanDerWaalsContact C-N 3.3Å; Y686-R688 PolarHBondContact O-N 3.49Å; Y686-H689 PolarHBondContact O-N 3.43Å; Y686-K690 PolarHBondContact O-N 3.17Å; Y686-T708 HydrophobicContact CD1-CG2 4.11Å; Y686-T708 HydrophobicContact CG-CG2 4.24Å; Y686-T711 HydrophobicContact CD2-CG2 3.39Å; Y686-T711 HydrophobicContact CG-CG2 3.61Å
687	M	92.2	Very high	89.8	Confident	4 Å²	4	25.5 Å²	25.5	2%	0.02	13%	0.134	C	C	.	.	H	α-helix	trans	-66.8	-32.1	179.4	-67.8	-175.7	71.4	0	0	112.5	F375 K377 I683 N684 H689 Y746 L748 R753 I778 P822	F375-M687 HydrophobicContact CD1-CG 4.41Å; F375-M687 HydrophobicContact CE1-CG 3.58Å; F375-M687 HydrophobicContact CE2-CG 4.4Å; F375-M687 HydrophobicContact CZ-CB 4.25Å; F375-M687 HydrophobicContact CZ-CG 3.57Å; K377-M687 HydrophobicContact CD-CE 4.38Å; I683-M687 HydrophobicContact CG2-CG 4.37Å; I683-M687 HydrophobicContact CG2-SD 3.8Å; I683-M687 WeakPolarHBondContact O-CB 3.39Å; I683-M687 VanDerWaalsContact O-CG 3.3Å; I683-M687 WeakPolarHBondContact O-CG 3.29Å; I683-M687 PolarHBondContact O-N 2.84Å; N684-M687 PolarHBondContact O-N 3.3Å; M687-H689 VanDerWaalsContact C-N 3.3Å; M687-Y746 HydrophobicContact SD-CD1 4.48Å; M687-L748 HydrophobicContact CE-CD1 4.07Å; M687-L748 HydrophobicContact CE-CD2 4.05Å; M687-L748 HydrophobicContact CE-CG 4.34Å; M687-R753 PolarHBondContact SD-NH2 2.94Å; M687-I778 HydrophobicContact CB-CD1 3.83Å; M687-I778 HydrophobicContact CE-CG2 4.22Å; M687-P822 WeakPolarHBondContact O-CG 3.49Å
688	R	91.9	Very high	88.7	Confident	1 Å²	1	27.2 Å²	27.2	0%	0.004	15%	0.148	C	C	.	.	H	α-helix	trans	-71.5	-24.3	175.9	-70.8	171.8	67.9	-123.6	3.1	113.2	E588 N684 L685 Y686 R692 A755 Q757 E774 D776 I778 R824	E588-R688 IonicContact OE1-CZ 3.17Å; E588-R688 IonicContact OE1-NH1 3.37Å; E588-R688 PolarHBondContact OE1-NH1 3.18Å; E588-R688 IonicContact OE2-CZ 3.25Å; E588-R688 IonicContact OE2-NH1 2.73Å; E588-R688 PolarHBondContact OE2-NH1 3.18Å; N684-R688 VanDerWaalsContact O-CB 3.28Å; N684-R688 WeakPolarHBondContact O-CB 3.46Å; N684-R688 WeakPolarHBondContact O-CD 3.37Å; N684-R688 WeakPolarHBondContact O-CG 2.99Å; N684-R688 PolarHBondContact O-N 2.85Å; L685-R688 PolarHBondContact O-N 2.87Å; Y686-R688 VanDerWaalsContact C-N 3.3Å; Y686-R688 PolarHBondContact O-N 3.49Å; R688-R692 PolarHBondContact O-NH1 3.44Å; R688-A755 HydrophobicContact CG-CB 3.64Å; R688-Q757 VanDerWaalsContact NH1-CG 3.27Å; R688-E774 IonicContact CZ-OE2 2.71Å; R688-E774 IonicContact NH2-OE2 3.7Å; R688-E774 PolarHBondContact NH2-OE2 3.39Å; R688-D776 HydrophobicContact CG-CB 4.09Å; R688-D776 IonicContact CZ-OD2 2.78Å; R688-D776 IonicContact NE-OD2 3.98Å; R688-D776 PolarHBondContact NE-OD2 3.36Å; R688-D776 IonicContact NH2-OD2 3.23Å; R688-D776 PolarHBondContact NH2-OD2 3.02Å; R688-I778 HydrophobicContact CG-CD1 4.03Å; R688-I778 HydrophobicContact CG-CG1 4.49Å; R688-R824 VanDerWaalsContact NH2-NH2 3.14Å
689	H	92.4	Very high	88	Confident	14 Å²	14	30.1 Å²	30.1	7%	0.065	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	16.7	-177.8	-68	81.2	0	0	0	113.5	L593 L685 Y686 M687 C691 R692	L593-H689 HydrophobicContact CD1-CB 4.15Å; L593-H689 VanDerWaalsContact CD1-CD2 3.45Å; L593-H689 WeakPolarHBondContact CD1-CD2 3.43Å; L593-H689 HydrophobicContact CD2-CB 3.66Å; L685-H689 PolarHBondContact O-N 2.92Å; L685-H689 PolarHBondContact O-ND1 2.97Å; Y686-H689 PolarHBondContact O-N 3.43Å; M687-H689 VanDerWaalsContact C-N 3.3Å; H689-C691 PolarHBondContact O-N 2.99Å; H689-R692 HydrophobicContact CB-CB 4.3Å; H689-R692 PolarHBondContact O-N 3.37Å; H689-R692 VanDerWaalsContact O-O 3.1Å
690	K	91.9	Very high	87.2	Confident	16 Å²	16	33.4 Å²	33.4	7%	0.07	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47	-34.4	174.1	-174.7	-179.7	177.5	-163.2	0	114.3	F375 Y686 F706 I707 T708 M709 Q820 P822	F375-K690 HydrophobicContact CD2-CB 4.33Å; F375-K690 HydrophobicContact CD2-CD 3.94Å; F375-K690 HydrophobicContact CD2-CG 3.97Å; F375-K690 HydrophobicContact CE2-CB 4.3Å; F375-K690 HydrophobicContact CE2-CG 4.4Å; Y686-K690 PolarHBondContact O-N 3.17Å; K690-F706 HydrophobicContact CD-CD1 4.27Å; K690-F706 HydrophobicContact CD-CE1 4.46Å; K690-F706 VanDerWaalsContact CE-CD1 3.45Å; K690-F706 VanDerWaalsContact CE-CE1 3.49Å; K690-F706 HydrophobicContact CG-CD1 4Å; K690-F706 CarbonylContact O-C 3.09Å; K690-F706 VanDerWaalsContact O-CA 3.32Å; K690-F706 WeakPolarHBondContact O-CA 3.37Å; K690-I707 PolarHBondContact O-N 3.05Å; K690-T708 VanDerWaalsContact CA-O 3.3Å; K690-T708 WeakPolarHBondContact CA-O 3.42Å; K690-M709 HydrophobicContact CD-SD 3.98Å; K690-M709 WeakPolarHBondContact CE-SD 3.46Å; K690-M709 HydrophobicContact CG-SD 3.59Å; K690-M709 VanDerWaalsContact CG-SD 3.59Å; K690-Q820 PolarHBondContact NZ-O 3.35Å; K690-P822 HydrophobicContact CB-CG 4.29Å
691	C	90.8	Very high	86.7	Confident	6 Å²	6	34.3 Å²	34.3	4%	0.041	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.7	30	179	-49.9	0	0	0	0	112.3	H689 T703 C821	H689-C691 PolarHBondContact O-N 2.99Å; C691-T703 WeakPolarHBondContact CB-O 3.15Å; C691-T703 PolarHBondContact O-N 2.79Å; C691-C821 HydrophobicContact CB-CB 3.66Å; C691-C821 WeakPolarHBondContact CB-SG 3.03Å; C691-C821 VanDerWaalsContact SG-CA 3.54Å; C691-C821 WeakPolarHBondContact SG-CB 3.49Å; C691-C821 CovalentContact SG-SG 2.03Å; C691-C821 PolarHBondContact SG-SG 3.25Å
692	R	89.8	Confident	86.3	Confident	25 Å²	25	37.9 Å²	37.9	9%	0.094	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	134	-177.7	-61.4	176.9	-174.8	154.1	2.9	109.6	R688 H689 V700 I701 D776	R688-R692 PolarHBondContact O-NH1 3.44Å; H689-R692 HydrophobicContact CB-CB 4.3Å; H689-R692 PolarHBondContact O-N 3.37Å; H689-R692 VanDerWaalsContact O-O 3.1Å; R692-V700 HydrophobicContact CB-CG1 3.84Å; R692-V700 HydrophobicContact CG-CG1 4.36Å; R692-I701 WeakPolarHBondContact CA-O 3.34Å; R692-D776 IonicContact CZ-OD1 2.82Å; R692-D776 IonicContact CZ-OD2 3.38Å; R692-D776 VanDerWaalsContact NH1-CG 3.34Å; R692-D776 IonicContact NH1-OD1 3.78Å; R692-D776 PolarHBondContact NH1-OD1 3.25Å; R692-D776 IonicContact NH1-OD2 3.49Å; R692-D776 PolarHBondContact NH1-OD2 3.25Å; R692-D776 IonicContact NH2-OD1 3.07Å; R692-D776 PolarHBondContact NH2-OD1 3.36Å; R692-D776 IonicContact NH2-OD2 2.69Å
693	I	84.3	Confident	85.6	Confident	5 Å²	5	38.8 Å²	38.8	3%	0.026	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	131.9	174.4	-51	172.7	0	0	0	107.7	V354 L361 L695 V700 I701 T703 I707	V354-I693 HydrophobicContact CG1-CD1 3.47Å; V354-I693 VanDerWaalsContact CG1-CD1 3.47Å; L361-I693 HydrophobicContact CD1-CD1 4.4Å; I693-L695 HydrophobicContact CG2-CD2 4.04Å; I693-V700 CarbonylContact O-C 3.52Å; I693-V700 VanDerWaalsContact O-CA 3.28Å; I693-V700 WeakPolarHBondContact O-CA 3.39Å; I693-I701 PolarHBondContact N-O 2.93Å; I693-I701 PolarHBondContact O-N 3.42Å; I693-T703 HydrophobicContact CD1-CG2 3.63Å; I693-T703 HydrophobicContact CG1-CG2 3.96Å; I693-I707 HydrophobicContact CD1-CD1 3.72Å; I693-I707 HydrophobicContact CD1-CG1 4.24Å; I693-I707 HydrophobicContact CG1-CB 4.25Å; I693-I707 HydrophobicContact CG1-CD1 3.57Å; I693-I707 HydrophobicContact CG1-CG1 3.53Å; I693-I707 HydrophobicContact CG1-CG2 3.76Å
694	R	82.5	Confident	84.8	Confident	74 Å²	74	46.6 Å²	46.6	28%	0.279	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	122.8	166.4	-173.1	174.6	-179.1	-171.6	-3.7	109	L593 S698 T699 V700	L593-R694 HydrophobicContact CD1-CB 3.59Å; R694-S698 PolarHBondContact NH2-OG 2.95Å; R694-T699 WeakPolarHBondContact CA-O 3.34Å; R694-V700 HydrophobicContact CB-CG2 4.27Å; R694-V700 HydrophobicContact CG-CG2 4.16Å
695	L	78.2	Confident	84.4	Confident	48 Å²	48	50.4 Å²	50.4	25%	0.251	28%	0.284	S	S	.	.			trans	-84.8	164.9	174.3	-58.5	-173.7	0	0	0	110.8	L361 I693 N697 S698 T699 I701	L361-L695 HydrophobicContact CD2-CD2 3.71Å; I693-L695 HydrophobicContact CG2-CD2 4.04Å; L695-N697 WeakPolarHBondContact CB-OD1 3.28Å; L695-N697 PolarHBondContact O-N 3.12Å; L695-S698 WeakPolarHBondContact O-CA 3.4Å; L695-S698 PolarHBondContact O-N 3.48Å; L695-T699 PolarHBondContact N-O 2.75Å; L695-I701 HydrophobicContact CD1-CD1 3.54Å; L695-I701 HydrophobicContact CD1-CG1 4.32Å; L695-I701 HydrophobicContact CG-CD1 4.17Å
696	S	72.8	Confident	84.1	Confident	133 Å²	133	51.7 Å²	51.7	93%	0.93	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-33	-178.4	53.7	0	0	0	0	113.6	S698	S696-S698 PolarHBondContact O-N 3.02Å; S696-S698 VanDerWaalsContact O-N 3.12Å
697	N	72.3	Confident	83.9	Confident	105 Å²	105	51.8 Å²	51.8	56%	0.561	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	13.6	173	66.8	-1.7	0	0	0	113.9	L695 T699	L695-N697 WeakPolarHBondContact CB-OD1 3.28Å; L695-N697 PolarHBondContact O-N 3.12Å; N697-T699 WeakPolarHBondContact ND2-CG2 3.38Å; N697-T699 PolarHBondContact ND2-OG1 2.74Å; N697-T699 PolarHBondContact O-N 2.98Å; N697-T699 VanDerWaalsContact O-N 3.15Å; N697-T699 VanDerWaalsContact OD1-CB 3.28Å; N697-T699 WeakPolarHBondContact OD1-CB 3.1Å; N697-T699 WeakPolarHBondContact OD1-CG2 3.4Å; N697-T699 PolarHBondContact OD1-N 3.39Å; N697-T699 PolarHBondContact OD1-OG1 3.3Å
698	S	71.2	Confident	84	Confident	59 Å²	59	51.7 Å²	51.7	41%	0.413	29%	0.289	S	S	.	.	S	Bend	trans	60.9	13	-173.9	-67.1	0	0	0	0	115.7	R694 L695 S696	R694-S698 PolarHBondContact NH2-OG 2.95Å; L695-S698 WeakPolarHBondContact O-CA 3.4Å; L695-S698 PolarHBondContact O-N 3.48Å; S696-S698 PolarHBondContact O-N 3.02Å; S696-S698 VanDerWaalsContact O-N 3.12Å
699	T	79.1	Confident	84.2	Confident	62 Å²	62	51.6 Å²	51.6	38%	0.38	29%	0.289	S	S	.	.			trans	-73.8	133.5	170.2	61.3	0	0	0	0	110	R694 L695 N697	R694-T699 WeakPolarHBondContact CA-O 3.34Å; L695-T699 PolarHBondContact N-O 2.75Å; N697-T699 WeakPolarHBondContact ND2-CG2 3.38Å; N697-T699 PolarHBondContact ND2-OG1 2.74Å; N697-T699 PolarHBondContact O-N 2.98Å; N697-T699 VanDerWaalsContact O-N 3.15Å; N697-T699 VanDerWaalsContact OD1-CB 3.28Å; N697-T699 WeakPolarHBondContact OD1-CB 3.1Å; N697-T699 WeakPolarHBondContact OD1-CG2 3.4Å; N697-T699 PolarHBondContact OD1-N 3.39Å; N697-T699 PolarHBondContact OD1-OG1 3.3Å
700	V	80.7	Confident	84.3	Confident	71 Å²	71	51 Å²	51	43%	0.43	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	115.5	177.2	-178.8	0	0	0	0	108.4	R692 I693 R694	R692-V700 HydrophobicContact CB-CG1 3.84Å; R692-V700 HydrophobicContact CG-CG1 4.36Å; I693-V700 CarbonylContact O-C 3.52Å; I693-V700 VanDerWaalsContact O-CA 3.28Å; I693-V700 WeakPolarHBondContact O-CA 3.39Å; R694-V700 HydrophobicContact CB-CG2 4.27Å; R694-V700 HydrophobicContact CG-CG2 4.16Å
701	I	84	Confident	84.5	Confident	73 Å²	73	50.2 Å²	50.2	37%	0.374	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	123.2	176.8	-55.9	177.8	0	0	0	107.7	R692 I693 L695 T703	R692-I701 WeakPolarHBondContact CA-O 3.34Å; I693-I701 PolarHBondContact N-O 2.93Å; I693-I701 PolarHBondContact O-N 3.42Å; L695-I701 HydrophobicContact CD1-CD1 3.54Å; L695-I701 HydrophobicContact CD1-CG1 4.32Å; L695-I701 HydrophobicContact CG-CD1 4.17Å; I701-T703 HydrophobicContact CG2-CG2 4.45Å
702	S	85.9	Confident	84.9	Confident	86 Å²	86	49.9 Å²	49.9	60%	0.601	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.8	132.8	170.1	-63.4	0	0	0	0	108.9
703	T	81.3	Confident	85.3	Confident	25 Å²	25	48.7 Å²	48.7	15%	0.153	28%	0.276	C	S	.	.			trans	-120.4	158.4	176.3	70.7	0	0	0	0	109.5	C691 I693 I701 K705	C691-T703 WeakPolarHBondContact CB-O 3.15Å; C691-T703 PolarHBondContact O-N 2.79Å; I693-T703 HydrophobicContact CD1-CG2 3.63Å; I693-T703 HydrophobicContact CG1-CG2 3.96Å; I701-T703 HydrophobicContact CG2-CG2 4.45Å; T703-K705 PolarHBondContact O-N 2.93Å; T703-K705 PolarHBondContact OG1-N 3.5Å; T703-K705 PolarHBondContact OG1-O 3.28Å
704	N	77.8	Confident	86	Confident	164 Å²	164	48.9 Å²	48.9	88%	0.877	28%	0.276	S	S	*	.	S	Bend	trans	-82.8	5.1	173.2	-54.1	-4.2	0	0	0	111.2
705	K	84.5	Confident	86.7	Confident	84 Å²	84	45.3 Å²	45.3	37%	0.365	26%	0.263	S	S	.	.	S	Bend	trans	-112.7	152	-174.2	-76.2	173.8	170	-170.6	0	110.2	Y353 V354 T703	Y353-K705 PolarHBondContact O-NZ 2.85Å; V354-K705 WeakPolarHBondContact O-CD 3.49Å; V354-K705 VanDerWaalsContact O-CE 3.27Å; V354-K705 WeakPolarHBondContact O-CE 3.1Å; V354-K705 PolarHBondContact O-NZ 3.06Å; T703-K705 PolarHBondContact O-N 2.93Å; T703-K705 PolarHBondContact OG1-N 3.5Å; T703-K705 PolarHBondContact OG1-O 3.28Å
706	F	87.5	Confident	87.7	Confident	31 Å²	31	43 Å²	43	14%	0.136	25%	0.251	C	S	.	.			trans	-78.2	123.3	179.7	-58.4	-64.7	0	0	0	111.2	Y366 P373 K690 M709 Q820	Y366-F706 HydrophobicContact CD1-CB 4.26Å; Y366-F706 HydrophobicContact CE1-CB 4.41Å; Y366-F706 HydrophobicContact CE2-CD2 4.37Å; P373-F706 HydrophobicContact CB-CD2 4.06Å; P373-F706 HydrophobicContact CB-CE2 3.89Å; P373-F706 HydrophobicContact CB-CZ 4.44Å; P373-F706 HydrophobicContact CG-CD2 4.14Å; P373-F706 HydrophobicContact CG-CE2 3.67Å; P373-F706 HydrophobicContact CG-CZ 4.41Å; K690-F706 HydrophobicContact CD-CD1 4.27Å; K690-F706 HydrophobicContact CD-CE1 4.46Å; K690-F706 VanDerWaalsContact CE-CD1 3.45Å; K690-F706 VanDerWaalsContact CE-CE1 3.49Å; K690-F706 HydrophobicContact CG-CD1 4Å; K690-F706 CarbonylContact O-C 3.09Å; K690-F706 VanDerWaalsContact O-CA 3.32Å; K690-F706 WeakPolarHBondContact O-CA 3.37Å; F706-M709 HydrophobicContact CB-CE 4.39Å; F706-M709 HydrophobicContact CB-CG 3.53Å; F706-M709 HydrophobicContact CB-SD 3.67Å; F706-M709 HydrophobicContact CD1-SD 3.9Å; F706-M709 HydrophobicContact CG-CE 4.4Å; F706-M709 HydrophobicContact CG-CG 4.43Å; F706-M709 HydrophobicContact CG-SD 3.95Å; F706-Q820 HydrophobicContact CE1-CB 4.06Å; F706-Q820 HydrophobicContact CZ-CB 4.18Å
707	I	90.4	Very high	88.9	Confident	2 Å²	2	36.8 Å²	36.8	1%	0.01	21%	0.207	C	C	.	.			trans	-109.7	-72.2	-170.6	-55.7	-57.2	0	0	0	111	V354 R595 K690 I693	V354-I707 HydrophobicContact CB-CD1 4.4Å; V354-I707 HydrophobicContact CG1-CD1 3.42Å; V354-I707 VanDerWaalsContact CG1-CD1 3.42Å; V354-I707 HydrophobicContact CG2-CD1 4.05Å; R595-I707 VanDerWaalsContact CA-O 3.27Å; R595-I707 WeakPolarHBondContact CA-O 3.02Å; R595-I707 WeakPolarHBondContact CD-O 3.05Å; K690-I707 PolarHBondContact O-N 3.05Å; I693-I707 HydrophobicContact CD1-CD1 3.72Å; I693-I707 HydrophobicContact CD1-CG1 4.24Å; I693-I707 HydrophobicContact CG1-CB 4.25Å; I693-I707 HydrophobicContact CG1-CD1 3.57Å; I693-I707 HydrophobicContact CG1-CG1 3.53Å; I693-I707 HydrophobicContact CG1-CG2 3.76Å
708	T	94.6	Very high	90	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.006	18%	0.182	C	C	.	.			trans	-89.7	115.9	170.3	-57	0	0	0	0	108.4	F375 G594 R595 Y686 K690	F375-T708 WeakPolarHBondContact CE2-O 3.44Å; G594-T708 WeakPolarHBondContact O-CB 3.03Å; G594-T708 PolarHBondContact O-OG1 3.02Å; R595-T708 CarbonylContact O-C 3.49Å; R595-T708 VanDerWaalsContact O-CA 3.3Å; R595-T708 WeakPolarHBondContact O-CA 3.28Å; Y686-T708 HydrophobicContact CD1-CG2 4.11Å; Y686-T708 HydrophobicContact CG-CG2 4.24Å; K690-T708 VanDerWaalsContact CA-O 3.3Å; K690-T708 WeakPolarHBondContact CA-O 3.42Å
709	M	95.4	Very high	91	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.166	C	C	.	.			trans	-127.9	5.6	-171.4	-82.7	-65.3	-68.3	0	0	115	Y366 P373 I374 F375 I376 R595 K690 F706	Y366-M709 HydrophobicContact CD2-CE 4.25Å; Y366-M709 HydrophobicContact CG-CB 4.45Å; Y366-M709 HydrophobicContact CG-CE 4.31Å; Y366-M709 HydrophobicContact CG-CG 4.17Å; P373-M709 HydrophobicContact CB-CE 4.13Å; I374-M709 WeakPolarHBondContact O-CE 3.42Å; F375-M709 CarbonylContact C-O 3.52Å; F375-M709 WeakPolarHBondContact CA-O 3.07Å; F375-M709 HydrophobicContact CB-CE 4.35Å; F375-M709 HydrophobicContact CB-SD 4.44Å; F375-M709 HydrophobicContact CD2-SD 3.92Å; I376-M709 PolarHBondContact N-O 3.01Å; R595-M709 PolarHBondContact O-N 3.29Å; K690-M709 HydrophobicContact CD-SD 3.98Å; K690-M709 WeakPolarHBondContact CE-SD 3.46Å; K690-M709 HydrophobicContact CG-SD 3.59Å; K690-M709 VanDerWaalsContact CG-SD 3.59Å; F706-M709 HydrophobicContact CB-CE 4.39Å; F706-M709 HydrophobicContact CB-CG 3.53Å; F706-M709 HydrophobicContact CB-SD 3.67Å; F706-M709 HydrophobicContact CD1-SD 3.9Å; F706-M709 HydrophobicContact CG-CE 4.4Å; F706-M709 HydrophobicContact CG-CG 4.43Å; F706-M709 HydrophobicContact CG-SD 3.95Å
710	G	95.9	Very high	91.8	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	146.3	173.6	0	0	0	0	0	113.9	I376 I597	I376-G710 WeakPolarHBondContact O-CA 3.5Å; I597-G710 PolarHBondContact N-O 3.43Å
711	T	96.4	Very high	92.5	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	115.7	174.3	66.8	0	0	0	0	108.2	F375 I376 G378 I597 Y686 Y746	F375-T711 HydrophobicContact CE1-CG2 4.17Å; F375-T711 HydrophobicContact CZ-CG2 4.03Å; I376-T711 PolarHBondContact O-N 2.96Å; G378-T711 WeakPolarHBondContact CA-O 3.37Å; G378-T711 PolarHBondContact N-O 3.35Å; I597-T711 CarbonylContact O-C 3.57Å; I597-T711 WeakPolarHBondContact O-CA 3.34Å; Y686-T711 HydrophobicContact CD2-CG2 3.39Å; Y686-T711 HydrophobicContact CG-CG2 3.61Å; T711-Y746 PolarHBondContact O-OH 2.86Å; T711-Y746 VanDerWaalsContact O-OH 3.1Å; T711-Y746 PolarHBondContact OG1-OH 2.87Å
712	I	98.5	Very high	93.1	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	112.6	172.9	-48.2	179.1	0	0	0	106.3	I376 G378 A379 N380 L420 R422 W446 F596 I597 S598 E599 F600	I376-I712 HydrophobicContact CG2-CG1 4.1Å; G378-I712 WeakPolarHBondContact O-CA 3.47Å; A379-I712 VanDerWaalsContact C-CG2 3.44Å; N380-I712 VanDerWaalsContact ND2-CG2 3.31Å; N380-I712 WeakPolarHBondContact ND2-CG2 3.15Å; L420-I712 HydrophobicContact CD2-CD1 3.54Å; L420-I712 HydrophobicContact CD2-CG1 4.09Å; R422-I712 HydrophobicContact CB-CD1 4.15Å; R422-I712 HydrophobicContact CB-CG2 3.99Å; W446-I712 HydrophobicContact CE3-CD1 4.18Å; F596-I712 HydrophobicContact CE1-CD1 3.54Å; F596-I712 HydrophobicContact CE1-CG1 3.75Å; F596-I712 HydrophobicContact CZ-CD1 3.78Å; F596-I712 HydrophobicContact CZ-CG1 3.96Å; I597-I712 PolarHBondContact O-N 2.99Å; S598-I712 CarbonylContact C-O 3.56Å; S598-I712 VanDerWaalsContact C-O 3.29Å; S598-I712 WeakPolarHBondContact O-CB 3.37Å; S598-I712 VanDerWaalsContact O-O 3.1Å; E599-I712 WeakPolarHBondContact CA-O 3.38Å; E599-I712 PolarHBondContact N-O 3.12Å; F600-I712 VanDerWaalsContact CD1-O 3.32Å; F600-I712 WeakPolarHBondContact CD1-O 3.46Å; F600-I712 WeakPolarHBondContact CE1-O 3.5Å
713	Y	98.5	Very high	93.7	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	146.1	-179.7	70.1	-88.9	0	0	0	110.5	G378 A379 N380 I418 F600 Q715 T727 I742 Y746	G378-Y713 WeakPolarHBondContact O-CD1 3.23Å; G378-Y713 WeakPolarHBondContact O-CE1 3.38Å; G378-Y713 PolarHBondContact O-N 2.91Å; A379-Y713 HydrophobicContact CB-CD1 3.95Å; A379-Y713 HydrophobicContact CB-CE1 3.33Å; A379-Y713 HydrophobicContact CB-CE2 4.1Å; A379-Y713 VanDerWaalsContact CB-CZ 3.42Å; N380-Y713 PolarHBondContact N-O 2.9Å; N380-Y713 PolarHBondContact ND2-O 3.09Å; I418-Y713 HydrophobicContact CD1-CE1 4.12Å; F600-Y713 CarbonylContact O-C 3.58Å; F600-Y713 WeakPolarHBondContact O-CA 3.26Å; Y713-Q715 WeakPolarHBondContact CE2-O 3.43Å; Y713-T727 HydrophobicContact CD2-CG2 4.06Å; Y713-T727 HydrophobicContact CE2-CG2 3.34Å; Y713-T727 PolarHBondContact OH-OG1 3Å; Y713-I742 HydrophobicContact CD1-CD1 3.65Å; Y713-I742 HydrophobicContact CE1-CD1 3.35Å; Y713-I742 HydrophobicContact CE1-CG1 3.86Å; Y713-I742 HydrophobicContact CE1-CG2 4.29Å; Y713-I742 HydrophobicContact CE2-CD1 4.36Å; Y713-I742 HydrophobicContact CG-CD1 4.28Å; Y713-Y746 HydrophobicContact CD1-CE2 4.09Å; Y713-Y746 HydrophobicContact CE1-CE2 4.04Å
714	W	98.4	Very high	94.5	Very high	8 Å²	8	15.2 Å²	15.2	3%	0.03	8%	0.075	C	C	.	.	S	Bend	trans	-93.4	122.1	165.2	-171.4	-102.6	0	0	0	107.2	W208 N380 I382 W424 Y579 E599 F600 W725	W208-W714 AromaticContact CD1-CZ2 3.65Å; W208-W714 AromaticContact NE1-CZ2 3.48Å; N380-W714 HydrophobicContact CB-CD2 4.25Å; N380-W714 HydrophobicContact CB-CE3 3.21Å; N380-W714 HydrophobicContact CB-CZ3 3.49Å; N380-W714 VanDerWaalsContact CB-CZ3 3.49Å; I382-W714 HydrophobicContact CG2-CH2 3.56Å; I382-W714 HydrophobicContact CG2-CZ2 4.02Å; I382-W714 HydrophobicContact CG2-CZ3 4.4Å; W424-W714 HydrophobicContact CB-CH2 4.23Å; W424-W714 HydrophobicContact CB-CZ3 3.93Å; W424-W714 AromaticContact CD1-CH2 3.71Å; W424-W714 AromaticContact CD1-CZ3 3.4Å; W424-W714 VanDerWaalsContact CD1-CZ3 3.4Å; W424-W714 AromaticContact CD2-CH2 3.52Å; W424-W714 HydrophobicContact CD2-CH2 3.52Å; W424-W714 AromaticContact CD2-CZ3 3.99Å; W424-W714 HydrophobicContact CD2-CZ3 3.99Å; W424-W714 AromaticContact CE2-CH2 3.58Å; W424-W714 HydrophobicContact CE3-CH2 4.11Å; W424-W714 AromaticContact CG-CH2 3.58Å; W424-W714 HydrophobicContact CG-CH2 3.58Å; W424-W714 AromaticContact CG-CZ3 3.51Å; W424-W714 HydrophobicContact CG-CZ3 3.51Å; W424-W714 HydrophobicContact CZ2-CH2 4.16Å; W424-W714 AromaticContact NE1-CH2 3.7Å; W424-W714 AromaticContact NE1-CZ3 3.76Å; Y579-W714 HydrophobicContact CE1-CB 4.26Å; Y579-W714 WeakPolarHBondContact OH-CB 3.12Å; E599-W714 HydrophobicContact CB-CB 4.48Å; E599-W714 HydrophobicContact CG-CE3 4.5Å; F600-W714 PolarHBondContact O-N 2.78Å; W714-W725 AromaticContact CD1-CD2 3.77Å; W714-W725 AromaticContact CD1-CE3 3.99Å; W714-W725 AromaticContact CD1-CG 3.62Å; W714-W725 HydrophobicContact CG-CB 4.5Å; W714-W725 AromaticContact NE1-CE3 3.82Å; W714-W725 VanDerWaalsContact O-CB 3.22Å; W714-W725 WeakPolarHBondContact O-CB 3.25Å
715	Q	97.3	Very high	95.4	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	3%	0.034	C	C	.	.			cis	-134.5	160.3	-2.6	68.5	-167.8	80.3	0	0	111.6	Y713 N717 W725 S726 T727	Y713-Q715 WeakPolarHBondContact CE2-O 3.43Å; Q715-N717 PolarHBondContact NE2-O 3.14Å; Q715-W725 HydrophobicContact CG-CB 4.11Å; Q715-W725 PolarHBondContact N-O 3.48Å; Q715-S726 VanDerWaalsContact CG-CA 3.49Å; Q715-S726 CarbonylContact O-C 3.47Å; Q715-S726 WeakPolarHBondContact O-CA 2.83Å; Q715-T727 PolarHBondContact O-N 2.92Å; Q715-T727 VanDerWaalsContact O-N 3.15Å
716	F	98.5	Very high	96.1	Very high	0 Å²	0	3.6 Å²	3.6	0%	0	2%	0.017	C	C	.	.	S	Bend	trans	-69.9	-60.7	-175.9	-178.4	-116.5	0	0	0	112	A379 N380 W381 L409 A413 I418 I421 T727 I728 H738	A379-F716 HydrophobicContact CB-CB 3.72Å; A379-F716 HydrophobicContact CB-CD2 3.74Å; A379-F716 HydrophobicContact CB-CG 4.09Å; N380-F716 WeakPolarHBondContact O-CB 3.49Å; N380-F716 PolarHBondContact O-N 3.4Å; W381-F716 AromaticContact CE3-CD1 3.72Å; W381-F716 HydrophobicContact CE3-CD1 3.72Å; W381-F716 AromaticContact CE3-CE1 4Å; W381-F716 HydrophobicContact CE3-CE1 4Å; W381-F716 HydrophobicContact CZ3-CD1 4.04Å; W381-F716 AromaticContact CZ3-CE1 3.88Å; W381-F716 HydrophobicContact CZ3-CE1 3.88Å; L409-F716 HydrophobicContact CB-CE1 4.03Å; L409-F716 HydrophobicContact CD2-CE1 4.37Å; L409-F716 VanDerWaalsContact O-CZ 3.23Å; L409-F716 WeakPolarHBondContact O-CZ 3.14Å; A413-F716 HydrophobicContact CB-CE2 3.67Å; A413-F716 HydrophobicContact CB-CZ 3.64Å; I418-F716 HydrophobicContact CD1-CD2 3.85Å; I418-F716 HydrophobicContact CD1-CE2 3.73Å; I421-F716 HydrophobicContact CD1-CG 4.49Å; F716-T727 PolarHBondContact O-N 3.27Å; F716-T727 PolarHBondContact O-OG1 3.39Å; F716-I728 HydrophobicContact CE1-CD1 4.26Å; F716-I728 HydrophobicContact CE2-CD1 3.87Å; F716-I728 HydrophobicContact CZ-CD1 3.64Å; F716-I728 PolarHBondContact O-N 3.35Å; F716-H738 AromaticContact CE2-CE1 3.66Å
717	N	97.7	Very high	96.6	Very high	1 Å²	1	2.1 Å²	2.1	1%	0.005	1%	0.01	C	C	.	.	B	Isolated β-bridge	trans	-123.3	155.9	-171.2	60.3	-60.9	0	0	0	112.6	I382 L409 Q715 I728	I382-N717 WeakPolarHBondContact CD1-O 3.05Å; I382-N717 WeakPolarHBondContact CG1-O 3.49Å; I382-N717 PolarHBondContact N-OD1 2.6Å; I382-N717 PolarHBondContact O-ND2 2.9Å; I382-N717 PolarHBondContact O-OD1 3.33Å; L409-N717 HydrophobicContact CD1-CB 4.27Å; L409-N717 HydrophobicContact CD2-CB 4.23Å; Q715-N717 PolarHBondContact NE2-O 3.14Å; N717-I728 CarbonylContact C-O 3.29Å; N717-I728 WeakPolarHBondContact CA-O 3.49Å
718	D	96.4	Very high	96.9	Very high	8 Å²	8	2 Å²	2	4%	0.043	1%	0.01	C	C	.	.			trans	-104.7	158.8	163.5	-82.5	-29.1	0	0	0	111.5	S724 S726 I728 K735	D718-S724 VanDerWaalsContact OD1-CB 3.24Å; D718-S724 WeakPolarHBondContact OD1-CB 3.24Å; D718-S724 PolarHBondContact OD1-OG 2.92Å; D718-S724 PolarHBondContact OD2-OG 2.84Å; D718-S726 VanDerWaalsContact OD1-CB 3.27Å; D718-S726 WeakPolarHBondContact OD1-CB 3.5Å; D718-S726 PolarHBondContact OD1-OG 2.83Å; D718-S726 WeakPolarHBondContact OD2-CB 3.16Å; D718-S726 PolarHBondContact OD2-OG 2.83Å; D718-I728 PolarHBondContact N-O 3.5Å; D718-K735 IonicContact OD2-NZ 2.75Å
719	I	92.7	Very high	97	Very high	15 Å²	15	2 Å²	2	8%	0.077	1%	0.01	C	C	.	.	S	Bend	trans	-121.4	-4.7	167.4	53.7	176	0	0	0	113.9	W208 I382 P383 A384 Y386	W208-I719 HydrophobicContact CE3-CG1 4.41Å; W208-I719 HydrophobicContact CH2-CD1 3.96Å; W208-I719 HydrophobicContact CH2-CG1 4.38Å; W208-I719 HydrophobicContact CZ3-CD1 3.62Å; W208-I719 HydrophobicContact CZ3-CG1 3.6Å; I382-I719 HydrophobicContact CD1-CD1 4.44Å; I382-I719 HydrophobicContact CD1-CG1 4.01Å; I382-I719 HydrophobicContact CD1-CG2 4.45Å; P383-I719 WeakPolarHBondContact O-CG2 3.18Å; A384-I719 VanDerWaalsContact O-CG2 3.23Å; A384-I719 WeakPolarHBondContact O-CG2 3.5Å; Y386-I719 HydrophobicContact CD1-CD1 4.22Å; Y386-I719 HydrophobicContact CD2-CB 4.22Å; Y386-I719 HydrophobicContact CD2-CD1 3.47Å; Y386-I719 VanDerWaalsContact CD2-CD1 3.47Å; Y386-I719 HydrophobicContact CD2-CG1 3.86Å; Y386-I719 HydrophobicContact CE1-CD1 4.01Å; Y386-I719 HydrophobicContact CE2-CB 4.1Å; Y386-I719 HydrophobicContact CE2-CD1 3.21Å; Y386-I719 HydrophobicContact CE2-CG1 3.34Å; Y386-I719 HydrophobicContact CG-CD1 3.96Å; Y386-I719 VanDerWaalsContact CZ-CD1 3.49Å
720	W	94.8	Very high	97	Very high	0 Å²	0	2.4 Å²	2.4	0%	0	1%	0.013	C	C	.	.	S	Bend	trans	-140.7	147.9	176.2	-174.9	47.1	0	0	0	110	L210 Y386 R634 H636 A722	L210-W720 HydrophobicContact CB-CD2 3.98Å; L210-W720 HydrophobicContact CB-CE3 4.03Å; L210-W720 HydrophobicContact CB-CH2 4.14Å; L210-W720 HydrophobicContact CB-CZ2 4.1Å; L210-W720 HydrophobicContact CB-CZ3 4.13Å; L210-W720 HydrophobicContact CD2-CB 3.56Å; L210-W720 HydrophobicContact CD2-CD2 3.7Å; L210-W720 HydrophobicContact CD2-CE3 4.35Å; L210-W720 HydrophobicContact CD2-CG 3.34Å; L210-W720 HydrophobicContact CG-CD2 4.48Å; Y386-W720 HydrophobicContact CE2-CB 4.34Å; R634-W720 HydrophobicContact CB-CH2 3.96Å; R634-W720 HydrophobicContact CB-CZ2 4.35Å; R634-W720 HydrophobicContact CB-CZ3 4.29Å; R634-W720 HydrophobicContact CG-CH2 3.6Å; R634-W720 HydrophobicContact CG-CZ2 3.55Å; R634-W720 HydrophobicContact CG-CZ3 4.35Å; H636-W720 AromaticContact CE1-CZ3 3.61Å; H636-W720 AromaticContact NE2-CH2 3.74Å; H636-W720 AromaticContact NE2-CZ3 3.65Å; W720-A722 VanDerWaalsContact C-N 3.35Å; W720-A722 HydrophobicContact CD2-CB 4.17Å; W720-A722 HydrophobicContact CE3-CB 3.56Å; W720-A722 HydrophobicContact CZ3-CB 3.93Å; W720-A722 PolarHBondContact O-N 2.95Å
721	S	96.6	Very high	96.9	Very high	0 Å²	0	2.4 Å²	2.4	0%	0	1%	0.013	C	C	.	.	S	Bend	trans	-82.7	80.6	-178.1	-59.6	0	0	0	0	110.6	L394 A610 W611 S614 R634 S730	L394-S721 WeakPolarHBondContact CD1-OG 3.48Å; A610-S721 WeakPolarHBondContact O-CB 3.47Å; A610-S721 PolarHBondContact O-OG 2.98Å; W611-S721 WeakPolarHBondContact CZ3-O 3.22Å; S614-S721 VanDerWaalsContact CB-CB 3.48Å; S614-S721 WeakPolarHBondContact CB-OG 3.19Å; S614-S721 VanDerWaalsContact OG-CB 3.31Å; S614-S721 WeakPolarHBondContact OG-CB 3.28Å; R634-S721 WeakPolarHBondContact CD-O 3.42Å; R634-S721 PolarHBondContact NH1-O 3.36Å; S721-S730 PolarHBondContact OG-OG 3.49Å
722	A	96.5	Very high	96.7	Very high	0 Å²	0	2.7 Å²	2.7	0%	0	2%	0.015	C	C	.	.	S	Bend	trans	-130.4	162	179.1	0	0	0	0	0	111.7	P606 R634 W720 S724	P606-A722 WeakPolarHBondContact CD-O 3.48Å; P606-A722 WeakPolarHBondContact CG-O 3.3Å; R634-A722 HydrophobicContact CB-CB 4.06Å; R634-A722 WeakPolarHBondContact O-CB 3.28Å; W720-A722 VanDerWaalsContact C-N 3.35Å; W720-A722 HydrophobicContact CD2-CB 4.17Å; W720-A722 HydrophobicContact CE3-CB 3.56Å; W720-A722 HydrophobicContact CZ3-CB 3.93Å; W720-A722 PolarHBondContact O-N 2.95Å; A722-S724 PolarHBondContact O-N 3.3Å; A722-S724 VanDerWaalsContact O-N 3.16Å
723	P	97.5	Very high	96.6	Very high	5 Å²	5	2.9 Å²	2.9	3%	0.032	2%	0.017	C	C	.	.	S	Bend	trans	-58	116.3	163.1	-22.6	35.3	0	0	0	110.1	Q603 S604 I605 M631 Q635	Q603-P723 PolarHBondContact NE2-O 2.98Å; Q603-P723 VanDerWaalsContact NE2-O 3.16Å; S604-P723 WeakPolarHBondContact O-CA 3.27Å; I605-P723 HydrophobicContact CG2-CB 4.5Å; I605-P723 HydrophobicContact CG2-CG 4.29Å; M631-P723 HydrophobicContact CG-CG 4.49Å; M631-P723 HydrophobicContact SD-CG 3.47Å; M631-P723 WeakPolarHBondContact SD-CG 3.39Å; Q635-P723 HydrophobicContact CB-CG 4.22Å; Q635-P723 VanDerWaalsContact NE2-CB 3.28Å
724	S	97.3	Very high	96.5	Very high	0 Å²	0	3.1 Å²	3.1	0%	0	2%	0.017	C	C	.	.	B	Isolated β-bridge	trans	-149	172.3	-176.5	80.7	0	0	0	0	110.6	Q603 S604 D718 A722 S726	Q603-S724 CarbonylContact C-O 3.43Å; Q603-S724 WeakPolarHBondContact CA-O 3.1Å; S604-S724 PolarHBondContact N-O 2.95Å; S604-S724 PolarHBondContact O-N 3.4Å; D718-S724 VanDerWaalsContact OD1-CB 3.24Å; D718-S724 WeakPolarHBondContact OD1-CB 3.24Å; D718-S724 PolarHBondContact OD1-OG 2.92Å; D718-S724 PolarHBondContact OD2-OG 2.84Å; A722-S724 PolarHBondContact O-N 3.3Å; A722-S724 VanDerWaalsContact O-N 3.16Å; S724-S726 PolarHBondContact O-N 3.47Å; S724-S726 WeakPolarHBondContact OG-CB 3.38Å; S724-S726 PolarHBondContact OG-N 2.98Å; S724-S726 VanDerWaalsContact OG-N 3.09Å; S724-S726 PolarHBondContact OG-OG 3.37Å
725	W	98	Very high	96.4	Very high	4 Å²	4	2.8 Å²	2.8	2%	0.015	2%	0.016	C	C	.	.	S	Bend	trans	-78.3	-0.3	175.9	-61.6	-110.7	0	0	0	113.5	D207 W208 Y579 Y581 I602 Q603 H637 Q675 W714 Q715	D207-W725 HydrophobicContact CB-CH2 4.48Å; D207-W725 WeakPolarHBondContact OD2-CH2 3.35Å; W208-W725 HydrophobicContact CB-CE3 4.47Å; W208-W725 HydrophobicContact CB-CZ3 4.36Å; Y579-W725 AromaticContact CE1-NE1 3.91Å; Y581-W725 WeakPolarHBondContact OH-CZ2 3.44Å; Y581-W725 PolarHBondContact OH-NE1 3.02Å; I602-W725 VanDerWaalsContact N-CD1 3.26Å; Q603-W725 HydrophobicContact CG-CD2 3.66Å; Q603-W725 HydrophobicContact CG-CE3 3.92Å; Q603-W725 HydrophobicContact CG-CG 4.25Å; Q603-W725 HydrophobicContact CG-CH2 4.11Å; Q603-W725 HydrophobicContact CG-CZ2 3.86Å; Q603-W725 HydrophobicContact CG-CZ3 4.13Å; H637-W725 AromaticContact CD2-CH2 3.58Å; H637-W725 AromaticContact CD2-CZ2 3.61Å; Q675-W725 PolarHBondContact NE2-O 2.89Å; W714-W725 AromaticContact CD1-CD2 3.77Å; W714-W725 AromaticContact CD1-CE3 3.99Å; W714-W725 AromaticContact CD1-CG 3.62Å; W714-W725 HydrophobicContact CG-CB 4.5Å; W714-W725 AromaticContact NE1-CE3 3.82Å; W714-W725 VanDerWaalsContact O-CB 3.22Å; W714-W725 WeakPolarHBondContact O-CB 3.25Å; Q715-W725 HydrophobicContact CG-CB 4.11Å; Q715-W725 PolarHBondContact N-O 3.48Å
726	S	98.3	Very high	96.4	Very high	0 Å²	0	2.8 Å²	2.8	0%	0	2%	0.016	C	C	.	.			trans	-63.2	147.4	-172	80.4	0	0	0	0	111.6	Q675 Q715 D718 S724 I728 K735	Q675-S726 PolarHBondContact NE2-O 3.49Å; Q675-S726 PolarHBondContact OE1-O 3.28Å; Q715-S726 VanDerWaalsContact CG-CA 3.49Å; Q715-S726 CarbonylContact O-C 3.47Å; Q715-S726 WeakPolarHBondContact O-CA 2.83Å; D718-S726 VanDerWaalsContact OD1-CB 3.27Å; D718-S726 WeakPolarHBondContact OD1-CB 3.5Å; D718-S726 PolarHBondContact OD1-OG 2.83Å; D718-S726 WeakPolarHBondContact OD2-CB 3.16Å; D718-S726 PolarHBondContact OD2-OG 2.83Å; S724-S726 PolarHBondContact O-N 3.47Å; S724-S726 WeakPolarHBondContact OG-CB 3.38Å; S724-S726 PolarHBondContact OG-N 2.98Å; S724-S726 VanDerWaalsContact OG-N 3.09Å; S724-S726 PolarHBondContact OG-OG 3.37Å; S726-I728 WeakPolarHBondContact CB-O 3.35Å; S726-I728 PolarHBondContact OG-O 2.85Å; S726-K735 WeakPolarHBondContact O-CD 3.4Å; S726-K735 WeakPolarHBondContact O-CE 3.49Å; S726-K735 PolarHBondContact O-NZ 3.18Å; S726-K735 WeakPolarHBondContact OG-CE 3.09Å; S726-K735 PolarHBondContact OG-NZ 2.9Å
727	T	98.3	Very high	96.2	Very high	0 Å²	0	2.8 Å²	2.8	0%	0	2%	0.016	C	C	.	.	S	Bend	trans	-99	-18.9	169.2	61.8	0	0	0	0	112.1	L679 Y713 Q715 F716 K735 S737 H738 I742	L679-T727 HydrophobicContact CD1-CG2 3.9Å; Y713-T727 HydrophobicContact CD2-CG2 4.06Å; Y713-T727 HydrophobicContact CE2-CG2 3.34Å; Y713-T727 PolarHBondContact OH-OG1 3Å; Q715-T727 PolarHBondContact O-N 2.92Å; Q715-T727 VanDerWaalsContact O-N 3.15Å; F716-T727 PolarHBondContact O-N 3.27Å; F716-T727 PolarHBondContact O-OG1 3.39Å; T727-K735 WeakPolarHBondContact O-CB 3.47Å; T727-K735 PolarHBondContact O-N 3.21Å; T727-S737 WeakPolarHBondContact CG2-OG 3.26Å; T727-H738 WeakPolarHBondContact O-CB 3.01Å; T727-H738 PolarHBondContact OG1-ND1 3.43Å; T727-I742 HydrophobicContact CG2-CG1 4.22Å
728	I	98	Very high	96.2	Very high	0 Å²	0	2.7 Å²	2.7	0%	0	2%	0.016	C	C	.	.	B	Isolated β-bridge	trans	-118.3	123.1	170.1	-58.2	-178.5	0	0	0	107.7	L409 F716 N717 D718 S726 Q733	L409-I728 HydrophobicContact CD2-CD1 4.34Å; L409-I728 HydrophobicContact CD2-CG2 3.88Å; F716-I728 HydrophobicContact CE1-CD1 4.26Å; F716-I728 HydrophobicContact CE2-CD1 3.87Å; F716-I728 HydrophobicContact CZ-CD1 3.64Å; F716-I728 PolarHBondContact O-N 3.35Å; N717-I728 CarbonylContact C-O 3.29Å; N717-I728 WeakPolarHBondContact CA-O 3.49Å; D718-I728 PolarHBondContact N-O 3.5Å; S726-I728 WeakPolarHBondContact CB-O 3.35Å; S726-I728 PolarHBondContact OG-O 2.85Å; I728-Q733 WeakPolarHBondContact CA-O 3.33Å
729	D	96.2	Very high	96.1	Very high	2 Å²	2	2.8 Å²	2.8	1%	0.011	2%	0.016	C	C	.	.			trans	-80.3	178	-178.6	67.6	24.3	0	0	0	113.4	S607 A610 V731 G732 Q733	S607-D729 WeakPolarHBondContact CB-OD2 3.26Å; S607-D729 PolarHBondContact N-OD2 3.3Å; S607-D729 PolarHBondContact OG-OD2 3.08Å; A610-D729 HydrophobicContact CB-CB 4.02Å; A610-D729 WeakPolarHBondContact CB-OD2 3.08Å; D729-V731 PolarHBondContact O-N 3.3Å; D729-V731 VanDerWaalsContact O-N 3.08Å; D729-V731 WeakPolarHBondContact OD1-CG2 3.27Å; D729-V731 PolarHBondContact OD1-N 2.93Å; D729-V731 VanDerWaalsContact OD1-N 3.16Å; D729-G732 WeakPolarHBondContact O-CA 3.43Å; D729-G732 PolarHBondContact O-N 2.89Å; D729-G732 PolarHBondContact OD1-N 3.47Å; D729-Q733 PolarHBondContact N-O 2.68Å; D729-Q733 WeakPolarHBondContact OD1-CB 3.39Å; D729-Q733 PolarHBondContact OD1-N 3.49Å
730	S	94.7	Very high	96.1	Very high	7 Å²	7	2.3 Å²	2.3	5%	0.049	1%	0.014	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-13.1	-175.5	59.4	0	0	0	0	115.1	S721	S721-S730 PolarHBondContact OG-OG 3.49Å
731	V	94	Very high	96	Very high	0 Å²	0	2.3 Å²	2.3	0%	0	1%	0.014	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.1	11.9	174.2	-57	0	0	0	0	112	L394 M395 L609 A610 R613 D729 Q733	L394-V731 HydrophobicContact CB-CG1 3.61Å; L394-V731 WeakPolarHBondContact O-CG1 3.37Å; M395-V731 HydrophobicContact CG-CB 4.43Å; M395-V731 WeakPolarHBondContact CG-O 3.12Å; M395-V731 VanDerWaalsContact SD-C 3.52Å; L609-V731 HydrophobicContact CB-CG2 4.31Å; L609-V731 HydrophobicContact CD2-CG2 4.01Å; L609-V731 HydrophobicContact CG-CG2 4.04Å; A610-V731 HydrophobicContact CB-CG1 4.22Å; A610-V731 HydrophobicContact CB-CG2 3.87Å; R613-V731 HydrophobicContact CB-CG1 4.19Å; R613-V731 HydrophobicContact CG-CG1 4.4Å; D729-V731 PolarHBondContact O-N 3.3Å; D729-V731 VanDerWaalsContact O-N 3.08Å; D729-V731 WeakPolarHBondContact OD1-CG2 3.27Å; D729-V731 PolarHBondContact OD1-N 2.93Å; D729-V731 VanDerWaalsContact OD1-N 3.16Å; V731-Q733 HydrophobicContact CG2-CB 4.28Å; V731-Q733 HydrophobicContact CG2-CG 3.76Å; V731-Q733 PolarHBondContact O-N 3.37Å
732	G	93.2	Very high	95.9	Very high	6 Å²	6	2.3 Å²	2.3	6%	0.062	1%	0.014	C	C	.	.	S	Bend	trans	70.8	18.6	178.8	0	0	0	0	0	113.4	M395 D729	M395-G732 PolarHBondContact SD-N 2.96Å; M395-G732 VanDerWaalsContact SD-N 3.38Å; D729-G732 WeakPolarHBondContact O-CA 3.43Å; D729-G732 PolarHBondContact O-N 2.89Å; D729-G732 PolarHBondContact OD1-N 3.47Å
733	Q	94.8	Very high	95.7	Very high	5 Å²	5	4.5 Å²	4.5	2%	0.023	2%	0.023	C	C	.	.	P	Polyproline II helix	trans	-77.9	133.9	171	-71	-57.5	-54.9	0	0	109.5	L609 I728 D729 V731 K735 Y916	L609-Q733 HydrophobicContact CD2-CG 4Å; I728-Q733 WeakPolarHBondContact CA-O 3.33Å; D729-Q733 PolarHBondContact N-O 2.68Å; D729-Q733 WeakPolarHBondContact OD1-CB 3.39Å; D729-Q733 PolarHBondContact OD1-N 3.49Å; V731-Q733 HydrophobicContact CG2-CB 4.28Å; V731-Q733 HydrophobicContact CG2-CG 3.76Å; V731-Q733 PolarHBondContact O-N 3.37Å; Q733-K735 PolarHBondContact O-N 3.49Å; Q733-Y916 PolarHBondContact NE2-O 3.18Å; Q733-Y916 VanDerWaalsContact OE1-CE2 3.25Å; Q733-Y916 PolarHBondContact OE1-O 3.32Å; Q733-Y916 VanDerWaalsContact OE1-O 3.1Å
734	W	96.9	Very high	95.2	Very high	5 Å²	5	7.5 Å²	7.5	2%	0.019	4%	0.037	C	C	.	.	B	Isolated β-bridge	trans	-72.2	120.2	168.6	-73.2	19.4	0	0	0	108.8	S412 L415 H738 Y739 K743 P884 W917	S412-W734 PolarHBondContact OG-NE1 3.49Å; L415-W734 HydrophobicContact CB-CH2 4.34Å; W734-H738 HydrophobicContact CB-CB 4.02Å; W734-H738 HydrophobicContact CD2-CB 4.33Å; W734-H738 AromaticContact CD2-CD2 3.28Å; W734-H738 AromaticContact CE2-CD2 3.39Å; W734-H738 AromaticContact CE2-NE2 3.81Å; W734-H738 HydrophobicContact CE3-CB 4.45Å; W734-H738 AromaticContact CE3-CD2 3.47Å; W734-H738 VanDerWaalsContact CE3-CD2 3.47Å; W734-H738 HydrophobicContact CG-CB 4.17Å; W734-H738 AromaticContact CG-CD2 3.8Å; W734-H738 AromaticContact CH2-CD2 3.83Å; W734-H738 AromaticContact CZ2-CD2 3.68Å; W734-H738 AromaticContact CZ2-NE2 3.8Å; W734-H738 AromaticContact CZ3-CD2 3.74Å; W734-H738 AromaticContact NE1-CD2 3.93Å; W734-Y739 HydrophobicContact CB-CD2 3.81Å; W734-Y739 HydrophobicContact CB-CE1 4.45Å; W734-Y739 HydrophobicContact CB-CE2 3.34Å; W734-Y739 HydrophobicContact CD2-CE1 4.29Å; W734-Y739 AromaticContact CE3-CD1 3.55Å; W734-Y739 HydrophobicContact CE3-CD1 3.55Å; W734-Y739 HydrophobicContact CE3-CD2 4.35Å; W734-Y739 AromaticContact CE3-CE1 3.43Å; W734-Y739 HydrophobicContact CE3-CE1 3.43Å; W734-Y739 VanDerWaalsContact CE3-CE1 3.43Å; W734-Y739 HydrophobicContact CE3-CE2 4.29Å; W734-Y739 HydrophobicContact CE3-CG 4.01Å; W734-Y739 AromaticContact CE3-CZ 3.85Å; W734-Y739 HydrophobicContact CG-CE2 4.36Å; W734-Y739 HydrophobicContact CZ3-CD1 4.04Å; W734-Y739 HydrophobicContact CZ3-CE1 4.06Å; W734-Y739 WeakPolarHBondContact O-CE2 3.24Å; W734-K743 HydrophobicContact CH2-CD 4.26Å; W734-K743 HydrophobicContact CZ3-CB 4.49Å; W734-K743 HydrophobicContact CZ3-CD 3.79Å; W734-P884 HydrophobicContact CZ2-CG 3.84Å; W734-W917 AromaticContact CD2-CD1 3.85Å; W734-W917 AromaticContact CD2-NE1 3.24Å; W734-W917 AromaticContact CE2-NE1 3.47Å; W734-W917 HydrophobicContact CE3-CZ2 4.48Å; W734-W917 AromaticContact CE3-NE1 3.32Å; W734-W917 VanDerWaalsContact CE3-NE1 3.32Å; W734-W917 AromaticContact CG-CD1 3.99Å; W734-W917 AromaticContact CG-NE1 3.87Å; W734-W917 HydrophobicContact CH2-CZ2 4.09Å; W734-W917 AromaticContact CH2-NE1 3.88Å; W734-W917 AromaticContact CZ2-NE1 3.78Å; W734-W917 HydrophobicContact CZ3-CZ2 4.01Å; W734-W917 AromaticContact CZ3-NE1 3.65Å
735	K	97.5	Very high	94.7	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.04	C	C	.	.	P	Polyproline II helix	trans	-69.3	166.7	168.7	-61.3	-173.1	-168.7	167.6	0	110	Q672 D718 S726 T727 Q733 S737 H738 Y739	Q672-K735 HydrophobicContact CG-CB 4.24Å; Q672-K735 HydrophobicContact CG-CD 4.15Å; Q672-K735 HydrophobicContact CG-CG 4.42Å; Q672-K735 VanDerWaalsContact OE1-CB 3.31Å; D718-K735 IonicContact OD2-NZ 2.75Å; S726-K735 WeakPolarHBondContact O-CD 3.4Å; S726-K735 WeakPolarHBondContact O-CE 3.49Å; S726-K735 PolarHBondContact O-NZ 3.18Å; S726-K735 WeakPolarHBondContact OG-CE 3.09Å; S726-K735 PolarHBondContact OG-NZ 2.9Å; T727-K735 WeakPolarHBondContact O-CB 3.47Å; T727-K735 PolarHBondContact O-N 3.21Å; Q733-K735 PolarHBondContact O-N 3.49Å; K735-S737 PolarHBondContact O-N 3.48Å; K735-S737 VanDerWaalsContact O-N 3.12Å; K735-H738 PolarHBondContact O-N 3.48Å; K735-Y739 PolarHBondContact O-N 3.37Å
736	L	95.8	Very high	94.3	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-49.7	-41.3	177.1	-87.1	67.3	0	0	0	112.3	Y669 Q672 L673 L676 H738 Y739 S740 H905	Y669-L736 HydrophobicContact CD2-CD2 3.84Å; Y669-L736 HydrophobicContact CE2-CD2 3.92Å; Q672-L736 HydrophobicContact CB-CB 4.06Å; Q672-L736 HydrophobicContact CB-CD1 4.13Å; Q672-L736 HydrophobicContact CB-CG 4.48Å; L673-L736 HydrophobicContact CB-CD2 4.04Å; L676-L736 HydrophobicContact CD1-CB 4.06Å; L736-H738 PolarHBondContact O-N 3.01Å; L736-Y739 PolarHBondContact O-N 3.44Å; L736-S740 PolarHBondContact O-N 3.38Å; L736-H905 HydrophobicContact CD1-CB 4.25Å; L736-H905 WeakPolarHBondContact CD1-CD2 3.05Å; L736-H905 VanDerWaalsContact CD1-CE1 3.48Å; L736-H905 WeakPolarHBondContact CD1-CE1 3.43Å; L736-H905 VanDerWaalsContact CD1-CG 3.49Å; L736-H905 VanDerWaalsContact CD1-NE2 3.33Å; L736-H905 WeakPolarHBondContact CD1-NE2 3.41Å; L736-H905 HydrophobicContact CD2-CB 4.49Å; L736-H905 HydrophobicContact CG-CB 4.48Å
737	S	96	Very high	93.4	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-58.6	-40.4	178.1	49.8	0	0	0	0	112.9	Q675 T727 K735 Y739 A741 I742	Q675-S737 VanDerWaalsContact OE1-CB 3.29Å; Q675-S737 PolarHBondContact OE1-OG 3.21Å; T727-S737 WeakPolarHBondContact CG2-OG 3.26Å; K735-S737 PolarHBondContact O-N 3.48Å; K735-S737 VanDerWaalsContact O-N 3.12Å; S737-Y739 PolarHBondContact O-N 2.84Å; S737-A741 CarbonylContact O-C 3.6Å; S737-A741 VanDerWaalsContact O-CA 3.27Å; S737-A741 WeakPolarHBondContact O-CA 3.4Å; S737-A741 VanDerWaalsContact O-CB 3.23Å; S737-A741 WeakPolarHBondContact O-CB 3.2Å; S737-A741 PolarHBondContact O-N 3.4Å; S737-I742 PolarHBondContact O-N 2.84Å
738	H	97.1	Very high	91.9	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.065	C	C	.	.	I	π-helix	trans	-67.4	-39.1	178.7	-152.5	82.1	0	0	0	112.2	S416 F716 T727 W734 K735 L736 K743	S416-H738 VanDerWaalsContact CB-NE2 3.3Å; S416-H738 WeakPolarHBondContact CB-NE2 3.43Å; S416-H738 PolarHBondContact OG-NE2 2.99Å; F716-H738 AromaticContact CE2-CE1 3.66Å; T727-H738 WeakPolarHBondContact O-CB 3.01Å; T727-H738 PolarHBondContact OG1-ND1 3.43Å; W734-H738 HydrophobicContact CB-CB 4.02Å; W734-H738 HydrophobicContact CD2-CB 4.33Å; W734-H738 AromaticContact CD2-CD2 3.28Å; W734-H738 AromaticContact CE2-CD2 3.39Å; W734-H738 AromaticContact CE2-NE2 3.81Å; W734-H738 HydrophobicContact CE3-CB 4.45Å; W734-H738 AromaticContact CE3-CD2 3.47Å; W734-H738 VanDerWaalsContact CE3-CD2 3.47Å; W734-H738 HydrophobicContact CG-CB 4.17Å; W734-H738 AromaticContact CG-CD2 3.8Å; W734-H738 AromaticContact CH2-CD2 3.83Å; W734-H738 AromaticContact CZ2-CD2 3.68Å; W734-H738 AromaticContact CZ2-NE2 3.8Å; W734-H738 AromaticContact CZ3-CD2 3.74Å; W734-H738 AromaticContact NE1-CD2 3.93Å; K735-H738 PolarHBondContact O-N 3.48Å; L736-H738 PolarHBondContact O-N 3.01Å; H738-K743 WeakPolarHBondContact O-CB 3.44Å; H738-K743 PolarHBondContact O-N 3.49Å
739	Y	94.9	Very high	90.9	Very high	10 Å²	10	15.7 Å²	15.7	4%	0.039	8%	0.084	C	C	.	.	I	π-helix	trans	-68.1	-45.9	177	-75.9	-73.2	0	0	0	113.1	W734 K735 L736 S737 K743 E744 W917 F918 N921	W734-Y739 HydrophobicContact CB-CD2 3.81Å; W734-Y739 HydrophobicContact CB-CE1 4.45Å; W734-Y739 HydrophobicContact CB-CE2 3.34Å; W734-Y739 HydrophobicContact CD2-CE1 4.29Å; W734-Y739 AromaticContact CE3-CD1 3.55Å; W734-Y739 HydrophobicContact CE3-CD1 3.55Å; W734-Y739 HydrophobicContact CE3-CD2 4.35Å; W734-Y739 AromaticContact CE3-CE1 3.43Å; W734-Y739 HydrophobicContact CE3-CE1 3.43Å; W734-Y739 VanDerWaalsContact CE3-CE1 3.43Å; W734-Y739 HydrophobicContact CE3-CE2 4.29Å; W734-Y739 HydrophobicContact CE3-CG 4.01Å; W734-Y739 AromaticContact CE3-CZ 3.85Å; W734-Y739 HydrophobicContact CG-CE2 4.36Å; W734-Y739 HydrophobicContact CZ3-CD1 4.04Å; W734-Y739 HydrophobicContact CZ3-CE1 4.06Å; W734-Y739 WeakPolarHBondContact O-CE2 3.24Å; K735-Y739 PolarHBondContact O-N 3.37Å; L736-Y739 PolarHBondContact O-N 3.44Å; S737-Y739 PolarHBondContact O-N 2.84Å; Y739-K743 WeakPolarHBondContact O-CB 3.47Å; Y739-E744 PolarHBondContact O-N 2.94Å; Y739-W917 HydrophobicContact CE1-CZ2 4.48Å; Y739-W917 AromaticContact CE1-NE1 3.78Å; Y739-W917 AromaticContact CZ-NE1 3.91Å; Y739-W917 VanDerWaalsContact OH-CD1 3.24Å; Y739-W917 PolarHBondContact OH-NE1 3.2Å; Y739-F918 WeakPolarHBondContact CE1-O 3.34Å; Y739-F918 PolarHBondContact OH-N 2.9Å; Y739-F918 VanDerWaalsContact OH-N 3.16Å; Y739-F918 PolarHBondContact OH-O 3.32Å; Y739-N921 VanDerWaalsContact CB-O 3.23Å; Y739-N921 WeakPolarHBondContact CB-O 3.46Å; Y739-N921 HydrophobicContact CD1-CB 3.93Å; Y739-N921 HydrophobicContact CD2-CB 3.75Å; Y739-N921 HydrophobicContact CE1-CB 3.9Å; Y739-N921 HydrophobicContact CE2-CB 3.67Å; Y739-N921 HydrophobicContact CG-CB 3.86Å
740	S	91.7	Very high	90.1	Very high	5 Å²	5	21.5 Å²	21.5	4%	0.035	11%	0.109	C	C	.	.	I	π-helix	trans	-119.9	-15.2	-165.6	-93.4	0	0	0	0	115.4	L676 L736 E744 Y745 G922	L676-S740 VanDerWaalsContact CD1-CB 3.49Å; L736-S740 PolarHBondContact O-N 3.38Å; S740-E744 PolarHBondContact OG-OE2 3.15Å; S740-Y745 WeakPolarHBondContact O-CD2 3.15Å; S740-Y745 WeakPolarHBondContact O-CE2 3.41Å; S740-G922 WeakPolarHBondContact CB-O 3.4Å; S740-G922 PolarHBondContact OG-O 2.95Å; S740-G922 VanDerWaalsContact OG-O 3.12Å
741	A	92.3	Very high	89.4	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.127	C	C	.	.	I	π-helix	trans	-95.9	-35.4	167.7	0	0	0	0	0	111.7	L676 L679 R680 S737 Y745	L676-A741 HydrophobicContact CG-CB 4.22Å; L676-A741 WeakPolarHBondContact O-CB 3.35Å; L679-A741 HydrophobicContact CB-CB 3.84Å; R680-A741 HydrophobicContact CB-CB 4.34Å; S737-A741 CarbonylContact O-C 3.6Å; S737-A741 VanDerWaalsContact O-CA 3.27Å; S737-A741 WeakPolarHBondContact O-CA 3.4Å; S737-A741 VanDerWaalsContact O-CB 3.23Å; S737-A741 WeakPolarHBondContact O-CB 3.2Å; S737-A741 PolarHBondContact O-N 3.4Å; A741-Y745 WeakPolarHBondContact O-CB 3.16Å
742	I	95.2	Very high	89.1	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.13	C	C	.	.	I	π-helix	trans	-91.6	-71	-179.2	-52.2	-49	0	0	0	110	I418 I683 Y713 T727 S737 E744 Y745 Y746	I418-I742 HydrophobicContact CD1-CG2 3.79Å; I418-I742 HydrophobicContact CG1-CG2 3.75Å; I683-I742 HydrophobicContact CD1-CD1 3.81Å; Y713-I742 HydrophobicContact CD1-CD1 3.65Å; Y713-I742 HydrophobicContact CE1-CD1 3.35Å; Y713-I742 HydrophobicContact CE1-CG1 3.86Å; Y713-I742 HydrophobicContact CE1-CG2 4.29Å; Y713-I742 HydrophobicContact CE2-CD1 4.36Å; Y713-I742 HydrophobicContact CG-CD1 4.28Å; T727-I742 HydrophobicContact CG2-CG1 4.22Å; S737-I742 PolarHBondContact O-N 2.84Å; I742-E744 PolarHBondContact O-N 3.15Å; I742-Y745 PolarHBondContact O-N 2.83Å; I742-Y745 VanDerWaalsContact O-N 3.09Å; I742-Y746 HydrophobicContact CD1-CE2 4.38Å; I742-Y746 HydrophobicContact CG2-CD2 3.62Å; I742-Y746 HydrophobicContact CG2-CE2 4.17Å; I742-Y746 HydrophobicContact CG2-CG 4.3Å; I742-Y746 VanDerWaalsContact O-CB 3.28Å; I742-Y746 WeakPolarHBondContact O-CB 3.29Å; I742-Y746 PolarHBondContact O-N 3.16Å
743	K	92.7	Very high	88.9	Confident	46 Å²	46	27.7 Å²	27.7	20%	0.2	13%	0.132	C	C	.	.	I	π-helix	trans	-54.9	-47.4	-175.2	176.3	174.8	178	-178.8	0	112.9	S416 W734 H738 Y739 Y745 D747 S919	S416-K743 WeakPolarHBondContact O-CA 3.08Å; W734-K743 HydrophobicContact CH2-CD 4.26Å; W734-K743 HydrophobicContact CZ3-CB 4.49Å; W734-K743 HydrophobicContact CZ3-CD 3.79Å; H738-K743 WeakPolarHBondContact O-CB 3.44Å; H738-K743 PolarHBondContact O-N 3.49Å; Y739-K743 WeakPolarHBondContact O-CB 3.47Å; K743-Y745 VanDerWaalsContact C-N 3.33Å; K743-Y745 PolarHBondContact O-N 3.35Å; K743-D747 WeakPolarHBondContact O-CB 3.42Å; K743-D747 PolarHBondContact O-N 2.89Å; K743-D747 VanDerWaalsContact O-N 3.08Å; K743-S919 PolarHBondContact NZ-O 3Å
744	E	87.2	Confident	88.7	Confident	68 Å²	68	31.1 Å²	31.1	32%	0.318	15%	0.149	S	C	.	.	H	α-helix	trans	-67.2	-27.7	-178.6	-169.2	173.4	169.9	0	0	114.3	Y739 S740 I742 H924	Y739-E744 PolarHBondContact O-N 2.94Å; S740-E744 PolarHBondContact OG-OE2 3.15Å; I742-E744 PolarHBondContact O-N 3.15Å; E744-H924 IonicContact OE1-CE1 3.17Å; E744-H924 PolarHBondContact OE1-CE1 3.36Å; E744-H924 IonicContact OE1-ND1 2.77Å; E744-H924 PolarHBondContact OE1-ND1 3.22Å; E744-H924 IonicContact OE2-ND1 3.1Å
745	Y	86.5	Confident	88.5	Confident	17 Å²	17	30.9 Å²	30.9	7%	0.067	15%	0.149	C	C	.	.	H	α-helix	trans	-107.9	-24.3	-173.6	-67	-92.3	0	0	0	114.2	R680 N684 S740 A741 I742 K743 R753	R680-Y745 HydrophobicContact CB-CE2 4.33Å; R680-Y745 VanDerWaalsContact CD-CZ 3.48Å; R680-Y745 WeakPolarHBondContact CD-OH 3.45Å; R680-Y745 HydrophobicContact CG-CD1 4.36Å; R680-Y745 HydrophobicContact CG-CD2 4.23Å; R680-Y745 HydrophobicContact CG-CE1 3.9Å; R680-Y745 HydrophobicContact CG-CE2 3.71Å; R680-Y745 PolarHBondContact NE-OH 3.42Å; R680-Y745 PolarHBondContact NH1-OH 3.47Å; R680-Y745 VanDerWaalsContact NH1-OH 3.12Å; R680-Y745 PolarHBondContact NH2-OH 2.98Å; N684-Y745 WeakPolarHBondContact ND2-CE1 3.46Å; N684-Y745 WeakPolarHBondContact OD1-CD1 3.2Å; N684-Y745 WeakPolarHBondContact OD1-CE1 3.3Å; S740-Y745 WeakPolarHBondContact O-CD2 3.15Å; S740-Y745 WeakPolarHBondContact O-CE2 3.41Å; A741-Y745 WeakPolarHBondContact O-CB 3.16Å; I742-Y745 PolarHBondContact O-N 2.83Å; I742-Y745 VanDerWaalsContact O-N 3.09Å; K743-Y745 VanDerWaalsContact C-N 3.33Å; K743-Y745 PolarHBondContact O-N 3.35Å; Y745-R753 WeakPolarHBondContact O-CD 3.28Å; Y745-R753 PolarHBondContact O-NE 2.69Å
746	Y	88.6	Confident	88.2	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-90.7	-37.1	173.4	-75	-2.5	0	0	0	112.7	K377 G378 I418 I683 M687 T711 Y713 I742 L748	K377-Y746 HydrophobicContact CB-CD1 3.88Å; K377-Y746 HydrophobicContact CB-CD2 3.74Å; K377-Y746 HydrophobicContact CB-CE1 4.05Å; K377-Y746 HydrophobicContact CB-CE2 3.94Å; K377-Y746 HydrophobicContact CB-CG 3.71Å; K377-Y746 HydrophobicContact CD-CD1 4.2Å; K377-Y746 HydrophobicContact CD-CG 4.19Å; K377-Y746 VanDerWaalsContact CD-O 3.3Å; K377-Y746 WeakPolarHBondContact CD-O 3.46Å; K377-Y746 WeakPolarHBondContact CE-O 3.28Å; K377-Y746 HydrophobicContact CG-CD1 3.97Å; K377-Y746 HydrophobicContact CG-CE1 4.29Å; K377-Y746 HydrophobicContact CG-CG 4.17Å; K377-Y746 PolarHBondContact NZ-O 3.47Å; G378-Y746 PolarHBondContact O-OH 3.11Å; I418-Y746 HydrophobicContact CG1-CD2 3.72Å; I418-Y746 HydrophobicContact CG1-CE2 4.05Å; I683-Y746 HydrophobicContact CB-CE1 4.26Å; I683-Y746 HydrophobicContact CD1-CD1 4.27Å; I683-Y746 HydrophobicContact CD1-CE1 3.62Å; I683-Y746 HydrophobicContact CG1-CE1 3.7Å; I683-Y746 HydrophobicContact CG2-CD1 3.82Å; I683-Y746 HydrophobicContact CG2-CE1 3.55Å; M687-Y746 HydrophobicContact SD-CD1 4.48Å; T711-Y746 PolarHBondContact O-OH 2.86Å; T711-Y746 VanDerWaalsContact O-OH 3.1Å; T711-Y746 PolarHBondContact OG1-OH 2.87Å; Y713-Y746 HydrophobicContact CD1-CE2 4.09Å; Y713-Y746 HydrophobicContact CE1-CE2 4.04Å; I742-Y746 HydrophobicContact CD1-CE2 4.38Å; I742-Y746 HydrophobicContact CG2-CD2 3.62Å; I742-Y746 HydrophobicContact CG2-CE2 4.17Å; I742-Y746 HydrophobicContact CG2-CG 4.3Å; I742-Y746 VanDerWaalsContact O-CB 3.28Å; I742-Y746 WeakPolarHBondContact O-CB 3.29Å; I742-Y746 PolarHBondContact O-N 3.16Å; Y746-L748 PolarHBondContact O-N 3.12Å
747	D	80.2	Confident	87.9	Confident	86 Å²	86	36.2 Å²	36.2	46%	0.46	18%	0.176	S	C	.	.	S	Bend	trans	-74.9	88.7	176.1	-167.7	17.6	0	0	0	110	K743 S749	K743-D747 WeakPolarHBondContact O-CB 3.42Å; K743-D747 PolarHBondContact O-N 2.89Å; K743-D747 VanDerWaalsContact O-N 3.08Å; D747-S749 PolarHBondContact O-N 2.87Å
748	L	67.3	Low	87.4	Confident	17 Å²	17	40.2 Å²	40.2	9%	0.089	20%	0.196	C	C	.	.			trans	-73.4	118.1	177	-65.2	-179.8	0	0	0	108.8	M687 Y746 R753 N780	M687-L748 HydrophobicContact CE-CD1 4.07Å; M687-L748 HydrophobicContact CE-CD2 4.05Å; M687-L748 HydrophobicContact CE-CG 4.34Å; Y746-L748 PolarHBondContact O-N 3.12Å; L748-R753 HydrophobicContact CD2-CB 4Å; L748-R753 VanDerWaalsContact CD2-CD 3.47Å; L748-R753 HydrophobicContact CD2-CG 3.48Å; L748-R753 VanDerWaalsContact CD2-CG 3.48Å; L748-N780 HydrophobicContact CB-CB 4.02Å; L748-N780 HydrophobicContact CD1-CB 4.37Å; L748-N780 PolarHBondContact O-ND2 2.9Å
749	S	76.7	Confident	86.5	Confident	56 Å²	56	42 Å²	42	39%	0.392	21%	0.206	S	C	.	.	B	Isolated β-bridge	trans	-54.4	163.5	168.1	84.2	0	0	0	0	110.5	D747 W751 G752 N780	D747-S749 PolarHBondContact O-N 2.87Å; S749-W751 PolarHBondContact O-N 3.49Å; S749-W751 PolarHBondContact OG-N 2.94Å; S749-G752 PolarHBondContact O-N 3.47Å; S749-G752 PolarHBondContact OG-O 3.09Å; S749-N780 PolarHBondContact O-ND2 3.48Å
750	K	78.2	Confident	85.4	Confident	124 Å²	124	44.9 Å²	44.9	54%	0.539	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53	-19.5	172.9	67	178.5	-177.3	173.5	0	114.2
751	W	81.3	Confident	84	Confident	110 Å²	110	47.9 Å²	47.9	42%	0.417	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	1	178.8	-51.4	108.2	0	0	0	114	S749 W777 F788 F789	S749-W751 PolarHBondContact O-N 3.49Å; S749-W751 PolarHBondContact OG-N 2.94Å; W751-W777 PolarHBondContact O-NE1 3.33Å; W751-F788 HydrophobicContact CE3-CB 3.86Å; W751-F788 AromaticContact CH2-CD1 3.89Å; W751-F788 HydrophobicContact CH2-CD1 3.89Å; W751-F788 HydrophobicContact CZ2-CD1 4.48Å; W751-F788 HydrophobicContact CZ3-CB 3.85Å; W751-F788 AromaticContact CZ3-CD1 3.98Å; W751-F788 HydrophobicContact CZ3-CD1 3.98Å; W751-F788 HydrophobicContact CZ3-CG 4.39Å; W751-F789 WeakPolarHBondContact CZ3-O 3.47Å
752	G	87	Confident	81.8	Confident	7 Å²	7	53.5 Å²	53.5	7%	0.072	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	78.2	-154.5	-168	0	0	0	0	0	112.7	S749 I778	S749-G752 PolarHBondContact O-N 3.47Å; S749-G752 PolarHBondContact OG-O 3.09Å; G752-I778 CarbonylContact C-O 3.53Å; G752-I778 WeakPolarHBondContact CA-O 3.41Å
753	R	89.1	Confident	79.5	Confident	26 Å²	26	56.7 Å²	56.7	10%	0.098	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	163.5	179.2	72.4	179.5	-179.2	86.4	-8.3	112.4	N684 M687 Y745 L748 W777 I778	N684-R753 PolarHBondContact OD1-NH1 2.75Å; N684-R753 PolarHBondContact OD1-NH2 3.45Å; N684-R753 VanDerWaalsContact OD1-NH2 3.12Å; M687-R753 PolarHBondContact SD-NH2 2.94Å; Y745-R753 WeakPolarHBondContact O-CD 3.28Å; Y745-R753 PolarHBondContact O-NE 2.69Å; L748-R753 HydrophobicContact CD2-CB 4Å; L748-R753 VanDerWaalsContact CD2-CD 3.47Å; L748-R753 HydrophobicContact CD2-CG 3.48Å; L748-R753 VanDerWaalsContact CD2-CG 3.48Å; R753-W777 WeakPolarHBondContact O-CA 3.45Å; R753-I778 HydrophobicContact CG-CB 4.23Å; R753-I778 HydrophobicContact CG-CD1 4.32Å; R753-I778 PolarHBondContact N-O 2.92Å; R753-I778 PolarHBondContact O-N 3.39Å
754	I	91.6	Very high	77.1	Confident	76 Å²	76	61.9 Å²	61.9	39%	0.39	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	124	172.9	-60.1	169.5	0	0	0	108.4	I756 A775 D776 F793 I825	I754-I756 HydrophobicContact CG2-CG1 3.99Å; I754-A775 HydrophobicContact CG2-CB 3.89Å; I754-D776 WeakPolarHBondContact CA-O 3.42Å; I754-F793 HydrophobicContact CD1-CD1 4Å; I754-I825 HydrophobicContact CB-CD1 4.48Å; I754-I825 HydrophobicContact CD1-CD1 3.69Å; I754-I825 HydrophobicContact CG1-CD1 3.8Å; I754-I825 HydrophobicContact CG2-CD1 3.87Å
755	A	92.5	Very high	74.8	Confident	1 Å²	1	65.3 Å²	65.3	1%	0.008	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	128.8	171.6	0	0	0	0	0	109.2	N684 R688 A775 D776 I778	N684-A755 HydrophobicContact CB-CB 4.44Å; R688-A755 HydrophobicContact CG-CB 3.64Å; A755-A775 CarbonylContact O-C 3.59Å; A755-A775 VanDerWaalsContact O-CA 3.28Å; A755-A775 WeakPolarHBondContact O-CA 3.41Å; A755-D776 PolarHBondContact N-O 3.22Å; A755-D776 PolarHBondContact O-N 3.18Å; A755-I778 HydrophobicContact CB-CD1 3.64Å; A755-I778 HydrophobicContact CB-CG1 4.5Å
756	I	90.9	Very high	72.6	Confident	91 Å²	91	71.6 Å²	71.6	47%	0.467	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	135.6	-178.3	-55.9	173.6	0	0	0	108.6	I754 I773 E774 A775	I754-I756 HydrophobicContact CG2-CG1 3.99Å; I756-I773 HydrophobicContact CG2-CG2 3.91Å; I756-E774 CarbonylContact C-O 3.4Å; I756-E774 VanDerWaalsContact CA-O 3.3Å; I756-E774 WeakPolarHBondContact CA-O 3.36Å; I756-A775 HydrophobicContact CG1-CB 3.92Å
757	Q	89.5	Confident	70.6	Confident	21 Å²	21	79.6 Å²	79.6	10%	0.098	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	165.3	172.3	77.5	86.5	16.3	0	0	112	E588 R688 E774	E588-Q757 HydrophobicContact CG-CB 4.18Å; R688-Q757 VanDerWaalsContact NH1-CG 3.27Å; Q757-E774 HydrophobicContact CG-CB 4.22Å; Q757-E774 PolarHBondContact N-O 3.46Å; Q757-E774 PolarHBondContact NE2-OE2 3.32Å; Q757-E774 PolarHBondContact O-N 3.28Å
758	I	86.1	Confident	69.2	Low	84 Å²	84	80.9 Å²	80.9	43%	0.431	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	107.3	178.2	-53	-179.8	0	0	0	109.1	N760 I772 I773	I758-N760 PolarHBondContact O-N 3.41Å; I758-I772 CarbonylContact C-O 3.51Å; I758-I772 WeakPolarHBondContact CA-O 3.45Å; I758-I773 HydrophobicContact CG1-CG1 4.32Å
759	N	78	Confident	68.6	Low	37 Å²	37	83.6 Å²	83.6	20%	0.198	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	114.3	175.8	-165.2	-11.9	0	0	0	109.5	N761 I772	N759-N761 VanDerWaalsContact OD1-CB 3.28Å; N759-N761 WeakPolarHBondContact OD1-CB 3.23Å; N759-N761 PolarHBondContact OD1-N 3.04Å; N759-I772 HydrophobicContact CB-CB 4.34Å; N759-I772 PolarHBondContact N-O 2.82Å; N759-I772 PolarHBondContact O-N 3.47Å
760	N	71.4	Confident	68.2	Low	70 Å²	70	83.8 Å²	83.8	37%	0.374	43%	0.431	S	S	.	.			trans	-99.8	0.2	176.6	-70.7	-27.8	0	0	0	113.6	I758 N762 N763	I758-N760 PolarHBondContact O-N 3.41Å; N760-N762 PolarHBondContact O-N 3.46Å; N760-N763 PolarHBondContact O-N 2.95Å; N760-N763 VanDerWaalsContact O-N 3.1Å
761	N	60.9	Low	68.2	Low	69 Å²	69	78.1 Å²	78.1	37%	0.369	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-17.3	-173.8	-70.6	-6.3	0	0	0	114.2	N759 N763	N759-N761 VanDerWaalsContact OD1-CB 3.28Å; N759-N761 WeakPolarHBondContact OD1-CB 3.23Å; N759-N761 PolarHBondContact OD1-N 3.04Å; N761-N763 VanDerWaalsContact C-N 3.33Å; N761-N763 PolarHBondContact O-N 3.31Å
762	N	47.8	Very low	68.5	Low	117 Å²	117	74.8 Å²	74.8	63%	0.626	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	4.9	178.7	-73.2	-1.6	0	0	0	114.6	N760 N764	N760-N762 PolarHBondContact O-N 3.46Å; N762-N764 PolarHBondContact O-N 3.42Å
763	N	45.4	Very low	68.7	Low	67 Å²	67	75.2 Å²	75.2	36%	0.358	40%	0.397	S	S	.	.			trans	-94.8	34	-177.4	-77.7	-8.9	0	0	0	114.9	N760 N761 N765 N768	N760-N763 PolarHBondContact O-N 2.95Å; N760-N763 VanDerWaalsContact O-N 3.1Å; N761-N763 VanDerWaalsContact C-N 3.33Å; N761-N763 PolarHBondContact O-N 3.31Å; N763-N765 PolarHBondContact O-N 3.08Å; N763-N768 PolarHBondContact OD1-O 3.09Å
764	N	43.8	Very low	68.9	Low	156 Å²	156	75.2 Å²	75.2	83%	0.834	40%	0.398	S	S	*	.	S	Bend	trans	-69.9	-7.3	167.4	-81.9	-3	0	0	0	113.3	N762	N762-N764 PolarHBondContact O-N 3.42Å
765	N	38.7	Very low	69	Low	140 Å²	140	71.9 Å²	71.9	75%	0.749	38%	0.382	S	S	*	.	S	Bend	trans	-119.4	113.9	176.9	-76.2	-20.6	0	0	0	112.1	N763	N763-N765 PolarHBondContact O-N 3.08Å
766	N	39.3	Very low	69	Low	149 Å²	149	71.8 Å²	71.8	80%	0.797	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	31	110.6	156.2	-73.9	-19.9	0	0	0	119.5	N768	N766-N768 PolarHBondContact O-N 2.81Å
767	N	47.7	Very low	69.1	Low	167 Å²	167	67.7 Å²	67.7	89%	0.893	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.5	-2.7	148.6	-88.6	-16.1	0	0	0	121.8
768	N	49.5	Very low	69.2	Low	113 Å²	113	67 Å²	67	60%	0.604	36%	0.358	S	S	*	.			trans	-93.1	110.1	172.2	-80.9	-24.6	0	0	0	110	N763 N766 N770	N763-N768 PolarHBondContact OD1-O 3.09Å; N766-N768 PolarHBondContact O-N 2.81Å; N768-N770 PolarHBondContact O-N 3.16Å
769	N	55.7	Low	69.3	Low	75 Å²	75	63.5 Å²	63.5	40%	0.401	34%	0.34	S	S	.	.			trans	-64.4	48.1	175.5	-118.6	51.7	0	0	0	112.7	G771 K847	N769-G771 PolarHBondContact O-N 3.5Å; N769-K847 VanDerWaalsContact CG-CE 3.48Å; N769-K847 WeakPolarHBondContact ND2-CE 3.5Å; N769-K847 WeakPolarHBondContact OD1-CE 3.31Å; N769-K847 PolarHBondContact OD1-NZ 3.24Å; N769-K847 VanDerWaalsContact OD1-NZ 3.13Å
770	N	67	Low	69.4	Low	60 Å²	60	63.2 Å²	63.2	32%	0.321	34%	0.339	S	S	.	.			trans	-95.4	48.8	-173.7	-76.8	-7.2	0	0	0	112	N768	N768-N770 PolarHBondContact O-N 3.16Å
771	G	79.3	Confident	69.4	Low	4 Å²	4	61.3 Å²	61.3	4%	0.041	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-55.6	143.8	171	0	0	0	0	0	111.2	N769 L830	N769-G771 PolarHBondContact O-N 3.5Å; G771-L830 PolarHBondContact O-N 2.99Å
772	I	88.3	Confident	69.5	Low	40 Å²	40	59.3 Å²	59.3	21%	0.205	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	120.9	177.9	-63.2	176.6	0	0	0	108.4	I758 N759 E774 N827	I758-I772 CarbonylContact C-O 3.51Å; I758-I772 WeakPolarHBondContact CA-O 3.45Å; N759-I772 HydrophobicContact CB-CB 4.34Å; N759-I772 PolarHBondContact N-O 2.82Å; N759-I772 PolarHBondContact O-N 3.47Å; I772-E774 HydrophobicContact CG2-CG 4.16Å; I772-N827 WeakPolarHBondContact CG2-OD1 3.5Å
773	I	90.8	Very high	69.9	Low	16 Å²	16	55.8 Å²	55.8	8%	0.082	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	123	175	-61	173.3	0	0	0	108.6	I756 I758 F826 N827 K828 L830 L833	I756-I773 HydrophobicContact CG2-CG2 3.91Å; I758-I773 HydrophobicContact CG1-CG1 4.32Å; I773-F826 HydrophobicContact CB-CE1 4.33Å; I773-F826 HydrophobicContact CG2-CD1 4.22Å; I773-F826 HydrophobicContact CG2-CE1 4.16Å; I773-N827 WeakPolarHBondContact O-CA 3.47Å; I773-K828 PolarHBondContact N-O 2.7Å; I773-K828 PolarHBondContact O-N 2.84Å; I773-K828 VanDerWaalsContact O-N 3.08Å; I773-L830 HydrophobicContact CD1-CB 4.43Å; I773-L830 HydrophobicContact CD1-CD1 3.74Å; I773-L833 HydrophobicContact CD1-CB 4.25Å; I773-L833 HydrophobicContact CD1-CD2 3.26Å; I773-L833 HydrophobicContact CD1-CG 4.37Å
774	E	91.7	Very high	70.4	Confident	26 Å²	26	59.1 Å²	59.1	12%	0.121	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	130.2	178.5	-55.5	-169.2	145.7	0	0	109.1	R688 I756 Q757 I772 R824 F826	R688-E774 IonicContact CZ-OE2 2.71Å; R688-E774 IonicContact NH2-OE2 3.7Å; R688-E774 PolarHBondContact NH2-OE2 3.39Å; I756-E774 CarbonylContact C-O 3.4Å; I756-E774 VanDerWaalsContact CA-O 3.3Å; I756-E774 WeakPolarHBondContact CA-O 3.36Å; Q757-E774 HydrophobicContact CG-CB 4.22Å; Q757-E774 PolarHBondContact N-O 3.46Å; Q757-E774 PolarHBondContact NE2-OE2 3.32Å; Q757-E774 PolarHBondContact O-N 3.28Å; I772-E774 HydrophobicContact CG2-CG 4.16Å; E774-R824 VanDerWaalsContact CD-NH2 3.27Å; E774-R824 IonicContact OE1-CZ 2.6Å; E774-R824 IonicContact OE1-NH1 2.65Å; E774-R824 PolarHBondContact OE1-NH1 3.26Å; E774-R824 IonicContact OE1-NH2 3.15Å; E774-R824 IonicContact OE2-CZ 2.99Å; E774-R824 VanDerWaalsContact OE2-CZ 3.3Å; E774-R824 IonicContact OE2-NH1 2.66Å; E774-R824 PolarHBondContact OE2-NH1 2.97Å; E774-R824 IonicContact OE2-NH2 3.81Å; E774-R824 PolarHBondContact OE2-NH2 3Å; E774-F826 WeakPolarHBondContact CA-O 3.37Å
775	A	94.2	Very high	70.9	Confident	6 Å²	6	58.5 Å²	58.5	5%	0.05	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	125.2	167.6	0	0	0	0	0	110.2	I754 A755 I756 R824 I825 F826	I754-A775 HydrophobicContact CG2-CB 3.89Å; A755-A775 CarbonylContact O-C 3.59Å; A755-A775 VanDerWaalsContact O-CA 3.28Å; A755-A775 WeakPolarHBondContact O-CA 3.41Å; I756-A775 HydrophobicContact CG1-CB 3.92Å; A775-R824 WeakPolarHBondContact O-CD 3.42Å; A775-I825 HydrophobicContact CB-CD1 4.43Å; A775-I825 HydrophobicContact CB-CG1 4Å; A775-I825 WeakPolarHBondContact O-CG1 3.48Å; A775-I825 PolarHBondContact O-N 2.83Å; A775-F826 HydrophobicContact CB-CB 3.7Å; A775-F826 PolarHBondContact N-O 2.87Å; A775-F826 PolarHBondContact O-N 2.79Å; A775-F826 VanDerWaalsContact O-N 3.14Å
776	D	93.4	Very high	71.9	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	128.9	174.6	-70.4	-61.8	0	0	0	109.6	R688 R692 I754 A755 P822 I823 R824	R688-D776 HydrophobicContact CG-CB 4.09Å; R688-D776 IonicContact CZ-OD2 2.78Å; R688-D776 IonicContact NE-OD2 3.98Å; R688-D776 PolarHBondContact NE-OD2 3.36Å; R688-D776 IonicContact NH2-OD2 3.23Å; R688-D776 PolarHBondContact NH2-OD2 3.02Å; R692-D776 IonicContact CZ-OD1 2.82Å; R692-D776 IonicContact CZ-OD2 3.38Å; R692-D776 VanDerWaalsContact NH1-CG 3.34Å; R692-D776 IonicContact NH1-OD1 3.78Å; R692-D776 PolarHBondContact NH1-OD1 3.25Å; R692-D776 IonicContact NH1-OD2 3.49Å; R692-D776 PolarHBondContact NH1-OD2 3.25Å; R692-D776 IonicContact NH2-OD1 3.07Å; R692-D776 PolarHBondContact NH2-OD1 3.36Å; R692-D776 IonicContact NH2-OD2 2.69Å; I754-D776 WeakPolarHBondContact CA-O 3.42Å; A755-D776 PolarHBondContact N-O 3.22Å; A755-D776 PolarHBondContact O-N 3.18Å; D776-P822 HydrophobicContact CB-CB 4.35Å; D776-I823 CarbonylContact C-O 3.57Å; D776-I823 VanDerWaalsContact CA-O 3.24Å; D776-I823 WeakPolarHBondContact CA-O 3.4Å; D776-R824 WeakPolarHBondContact OD1-CA 3.46Å; D776-R824 IonicContact OD1-CZ 3.72Å; D776-R824 PolarHBondContact OD1-N 2.88Å; D776-R824 IonicContact OD1-NE 2.91Å; D776-R824 PolarHBondContact OD1-NE 3.14Å; D776-R824 IonicContact OD1-NH2 2.95Å; D776-R824 IonicContact OD2-CZ 3.19Å; D776-R824 IonicContact OD2-NE 2.7Å; D776-R824 PolarHBondContact OD2-NE 3.25Å; D776-R824 IonicContact OD2-NH2 3.78Å; D776-R824 PolarHBondContact OD2-NH2 3.14Å
777	W	93.5	Very high	72.9	Confident	5 Å²	5	51 Å²	51	2%	0.019	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	119.7	166.3	174.2	61.4	0	0	0	108.8	W751 R753 P779 F789 P790 F793 I815 I819 P822 I823 I825	W751-W777 PolarHBondContact O-NE1 3.33Å; R753-W777 WeakPolarHBondContact O-CA 3.45Å; W777-P779 HydrophobicContact CH2-CB 3.77Å; W777-P779 HydrophobicContact CZ2-CB 3.94Å; W777-P779 HydrophobicContact CZ3-CB 4.22Å; W777-F789 AromaticContact CH2-CD1 3.81Å; W777-F789 HydrophobicContact CH2-CD1 3.81Å; W777-F789 HydrophobicContact CH2-CE1 4.24Å; W777-P790 HydrophobicContact CD2-CG 4.4Å; W777-P790 VanDerWaalsContact CZ2-CD 3.49Å; W777-P790 HydrophobicContact CZ2-CG 3.99Å; W777-F793 HydrophobicContact CB-CE1 3.73Å; W777-F793 HydrophobicContact CB-CZ 3.82Å; W777-F793 AromaticContact CD1-CE1 3.7Å; W777-F793 HydrophobicContact CD2-CE1 4.16Å; W777-F793 AromaticContact CD2-CZ 3.81Å; W777-F793 HydrophobicContact CD2-CZ 3.81Å; W777-F793 HydrophobicContact CE3-CZ 4.2Å; W777-F793 AromaticContact CG-CE1 3.56Å; W777-F793 HydrophobicContact CG-CE1 3.56Å; W777-F793 AromaticContact CG-CZ 3.64Å; W777-F793 HydrophobicContact CG-CZ 3.64Å; W777-I815 HydrophobicContact CE3-CD1 4.41Å; W777-I815 HydrophobicContact CH2-CD1 4.44Å; W777-I815 HydrophobicContact CH2-CG2 4.36Å; W777-I815 HydrophobicContact CZ3-CD1 4.09Å; W777-I815 HydrophobicContact CZ3-CG2 3.87Å; W777-I819 HydrophobicContact CH2-CG2 4.31Å; W777-I819 HydrophobicContact CZ3-CG2 3.94Å; W777-P822 CarbonylContact O-C 3.55Å; W777-P822 VanDerWaalsContact O-CA 3.28Å; W777-P822 WeakPolarHBondContact O-CA 3.45Å; W777-I823 HydrophobicContact CE3-CB 4.4Å; W777-I823 HydrophobicContact CE3-CD1 3.8Å; W777-I823 HydrophobicContact CE3-CG1 4.19Å; W777-I823 HydrophobicContact CZ3-CD1 3.8Å; W777-I823 HydrophobicContact CZ3-CG1 4.49Å; W777-I823 PolarHBondContact N-O 3.16Å; W777-I823 PolarHBondContact O-N 3.37Å; W777-I825 HydrophobicContact CB-CD1 4.25Å; W777-I825 HydrophobicContact CB-CG1 4.45Å; W777-I825 HydrophobicContact CB-CG2 3.63Å
778	I	91.3	Very high	74.1	Confident	7 Å²	7	47 Å²	47	4%	0.036	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	110.6	177.4	-58.7	162.6	0	0	0	107	M687 R688 G752 R753 A755 P822	M687-I778 HydrophobicContact CB-CD1 3.83Å; M687-I778 HydrophobicContact CE-CG2 4.22Å; R688-I778 HydrophobicContact CG-CD1 4.03Å; R688-I778 HydrophobicContact CG-CG1 4.49Å; G752-I778 CarbonylContact C-O 3.53Å; G752-I778 WeakPolarHBondContact CA-O 3.41Å; R753-I778 HydrophobicContact CG-CB 4.23Å; R753-I778 HydrophobicContact CG-CD1 4.32Å; R753-I778 PolarHBondContact N-O 2.92Å; R753-I778 PolarHBondContact O-N 3.39Å; A755-I778 HydrophobicContact CB-CD1 3.64Å; A755-I778 HydrophobicContact CB-CG1 4.5Å; I778-P822 HydrophobicContact CG1-CB 4.11Å; I778-P822 HydrophobicContact CG1-CG 4.15Å
779	P	87.1	Confident	75.5	Confident	9 Å²	9	43.7 Å²	43.7	6%	0.058	23%	0.23	C	C	.	.			trans	-67	150.8	178.2	27.8	-33.7	0	0	0	111	W777	W777-P779 HydrophobicContact CH2-CB 3.77Å; W777-P779 HydrophobicContact CZ2-CB 3.94Å; W777-P779 HydrophobicContact CZ3-CB 4.22Å
780	N	81.6	Confident	77	Confident	32 Å²	32	41.2 Å²	41.2	17%	0.171	22%	0.218	C	C	.	.			trans	-71.6	161.1	164.9	-163.8	10.1	0	0	0	110.1	L748 S749 Q782	L748-N780 HydrophobicContact CB-CB 4.02Å; L748-N780 HydrophobicContact CD1-CB 4.37Å; L748-N780 PolarHBondContact O-ND2 2.9Å; S749-N780 PolarHBondContact O-ND2 3.48Å; N780-Q782 PolarHBondContact O-N 3.22Å; N780-Q782 VanDerWaalsContact O-N 3.12Å
781	I	71.6	Confident	77.8	Confident	30 Å²	30	46 Å²	46	15%	0.154	24%	0.243	C	C	.	.			trans	-62.3	114.8	171.6	-60.6	174.8	0	0	0	107.3	T314 L372 I374	T314-I781 HydrophobicContact CG2-CG2 4.32Å; L372-I781 HydrophobicContact CD2-CG2 3.7Å; L372-I781 HydrophobicContact CG-CG2 4.41Å; I374-I781 HydrophobicContact CD1-CD1 4.38Å; I374-I781 HydrophobicContact CG2-CD1 4.28Å
782	Q	62.5	Low	78.4	Confident	27 Å²	27	49.3 Å²	49.3	13%	0.126	26%	0.258	C	S	.	.			trans	-92.1	138.2	-175.4	-69	-172.2	-25.8	0	0	111.3	N780 N787 F788	N780-Q782 PolarHBondContact O-N 3.22Å; N780-Q782 VanDerWaalsContact O-N 3.12Å; Q782-N787 PolarHBondContact OE1-OD1 2.99Å; Q782-F788 PolarHBondContact NE2-O 3.25Å
783	N	56.5	Low	78.6	Confident	43 Å²	43	48 Å²	48	23%	0.23	25%	0.25	C	S	.	.			trans	-78	142.6	166.4	-174.1	-24	0	0	0	109.6	E315 N785 T786	E315-N783 VanDerWaalsContact OE1-CA 3.26Å; E315-N783 WeakPolarHBondContact OE1-CA 3.41Å; E315-N783 PolarHBondContact OE2-ND2 3.03Å; E315-N783 PolarHBondContact OE2-OD1 3.17Å; N783-N785 PolarHBondContact O-N 3.08Å; N783-N785 PolarHBondContact OD1-N 3.09Å; N783-N785 VanDerWaalsContact OD1-N 3.08Å; N783-T786 PolarHBondContact O-N 3.43Å
784	N	55.3	Low	78.7	Confident	137 Å²	137	51.8 Å²	51.8	73%	0.733	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.4	-28.6	172.2	-75.5	-13.2	0	0	0	113.4
785	N	53.4	Low	78.7	Confident	143 Å²	143	52.4 Å²	52.4	77%	0.765	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-15.9	-172.6	-70.7	-11.7	0	0	0	115.6	N783	N783-N785 PolarHBondContact O-N 3.08Å; N783-N785 PolarHBondContact OD1-N 3.09Å; N783-N785 VanDerWaalsContact OD1-N 3.08Å
786	T	59.8	Low	78.5	Confident	72 Å²	72	55 Å²	55	44%	0.442	29%	0.285	S	S	.	.			trans	-142.4	102.5	-178.2	58.7	0	0	0	0	112.5	N783 F788	N783-T786 PolarHBondContact O-N 3.43Å; T786-F788 HydrophobicContact CG2-CE2 4.45Å; T786-F788 PolarHBondContact O-N 2.95Å
787	N	61.5	Low	78.3	Confident	59 Å²	59	55.3 Å²	55.3	32%	0.316	29%	0.286	S	S	.	.			trans	-91	86.5	177.1	-84.5	-6.3	0	0	0	110.8	Q782 F789 F818	Q782-N787 PolarHBondContact OE1-OD1 2.99Å; N787-F789 HydrophobicContact CB-CD2 3.88Å; N787-F789 HydrophobicContact CB-CE2 3.43Å; N787-F789 VanDerWaalsContact CB-CE2 3.43Å; N787-F789 HydrophobicContact CB-CZ 4.16Å; N787-F789 PolarHBondContact O-N 3.36Å; N787-F818 WeakPolarHBondContact ND2-CD1 3.38Å; N787-F818 WeakPolarHBondContact ND2-CE1 3.2Å
788	F	72.6	Confident	77.7	Confident	84 Å²	84	58.7 Å²	58.7	37%	0.368	30%	0.3	S	S	.	.			trans	-79.8	96.5	170.3	-69.6	-72.4	0	0	0	109.9	W751 Q782 T786	W751-F788 HydrophobicContact CE3-CB 3.86Å; W751-F788 AromaticContact CH2-CD1 3.89Å; W751-F788 HydrophobicContact CH2-CD1 3.89Å; W751-F788 HydrophobicContact CZ2-CD1 4.48Å; W751-F788 HydrophobicContact CZ3-CB 3.85Å; W751-F788 AromaticContact CZ3-CD1 3.98Å; W751-F788 HydrophobicContact CZ3-CD1 3.98Å; W751-F788 HydrophobicContact CZ3-CG 4.39Å; Q782-F788 PolarHBondContact NE2-O 3.25Å; T786-F788 HydrophobicContact CG2-CE2 4.45Å; T786-F788 PolarHBondContact O-N 2.95Å
789	F	79.4	Confident	77	Confident	42 Å²	42	60 Å²	60	18%	0.184	31%	0.308	C	S	.	.			trans	-104	139.3	171.6	-64.5	-63.4	0	0	0	110.7	W751 W777 N787 N791 I815 I819	W751-F789 WeakPolarHBondContact CZ3-O 3.47Å; W777-F789 AromaticContact CH2-CD1 3.81Å; W777-F789 HydrophobicContact CH2-CD1 3.81Å; W777-F789 HydrophobicContact CH2-CE1 4.24Å; N787-F789 HydrophobicContact CB-CD2 3.88Å; N787-F789 HydrophobicContact CB-CE2 3.43Å; N787-F789 VanDerWaalsContact CB-CE2 3.43Å; N787-F789 HydrophobicContact CB-CZ 4.16Å; N787-F789 PolarHBondContact O-N 3.36Å; F789-N791 PolarHBondContact O-N 3.09Å; F789-I815 HydrophobicContact CB-CD1 4.48Å; F789-I815 HydrophobicContact CD1-CG2 3.68Å; F789-I815 HydrophobicContact CE1-CG2 4.05Å; F789-I815 HydrophobicContact CG-CG2 4.29Å; F789-I819 HydrophobicContact CE1-CG2 3.76Å
790	P	85.4	Confident	76.3	Confident	23 Å²	23	61.9 Å²	61.9	15%	0.149	32%	0.317	C	S	.	.			trans	-66.9	131.7	170.2	27.1	-30.8	0	0	0	109.7	W777 E792 F793 I815	W777-P790 HydrophobicContact CD2-CG 4.4Å; W777-P790 VanDerWaalsContact CZ2-CD 3.49Å; W777-P790 HydrophobicContact CZ2-CG 3.99Å; P790-E792 VanDerWaalsContact C-N 3.31Å; P790-F793 HydrophobicContact CB-CE1 4.27Å; P790-F793 HydrophobicContact CB-CZ 4.24Å; P790-F793 HydrophobicContact CG-CE1 3.72Å; P790-F793 HydrophobicContact CG-CE2 4.1Å; P790-F793 HydrophobicContact CG-CZ 3.39Å; P790-I815 HydrophobicContact CG-CD1 3.66Å; P790-I815 WeakPolarHBondContact O-CD1 3.24Å
791	N	85.4	Confident	76.1	Confident	160 Å²	160	67.5 Å²	67.5	86%	0.856	34%	0.336	S	S	*	.	S	Bend	trans	-72.1	-30.3	176.7	-65.8	4.6	0	0	0	111.9	F789	F789-N791 PolarHBondContact O-N 3.09Å
792	E	90.6	Very high	76.5	Confident	74 Å²	74	67.9 Å²	67.9	35%	0.346	34%	0.341	S	S	.	.			trans	-152.7	157	-179.9	60.3	178.2	-143.4	0	0	110.6	P790 Q794 I810	P790-E792 VanDerWaalsContact C-N 3.31Å; E792-Q794 PolarHBondContact OE1-NE2 3.45Å; E792-I810 HydrophobicContact CB-CG2 3.9Å; E792-I810 HydrophobicContact CG-CG2 4.4Å; E792-I810 WeakPolarHBondContact OE2-CG2 3.28Å
793	F	93	Very high	77.6	Confident	12 Å²	12	68.7 Å²	68.7	5%	0.053	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	142.8	167.7	-60.8	-86.5	0	0	0	108.8	I754 W777 P790 L811 I813 I815 I825	I754-F793 HydrophobicContact CD1-CD1 4Å; W777-F793 HydrophobicContact CB-CE1 3.73Å; W777-F793 HydrophobicContact CB-CZ 3.82Å; W777-F793 AromaticContact CD1-CE1 3.7Å; W777-F793 HydrophobicContact CD2-CE1 4.16Å; W777-F793 AromaticContact CD2-CZ 3.81Å; W777-F793 HydrophobicContact CD2-CZ 3.81Å; W777-F793 HydrophobicContact CE3-CZ 4.2Å; W777-F793 AromaticContact CG-CE1 3.56Å; W777-F793 HydrophobicContact CG-CE1 3.56Å; W777-F793 AromaticContact CG-CZ 3.64Å; W777-F793 HydrophobicContact CG-CZ 3.64Å; P790-F793 HydrophobicContact CB-CE1 4.27Å; P790-F793 HydrophobicContact CB-CZ 4.24Å; P790-F793 HydrophobicContact CG-CE1 3.72Å; P790-F793 HydrophobicContact CG-CE2 4.1Å; P790-F793 HydrophobicContact CG-CZ 3.39Å; F793-L811 HydrophobicContact CB-CB 4.13Å; F793-L811 PolarHBondContact N-O 3Å; F793-L811 WeakPolarHBondContact O-CA 3.17Å; F793-L811 WeakPolarHBondContact O-CB 3.28Å; F793-L811 PolarHBondContact O-N 2.88Å; F793-I813 HydrophobicContact CD2-CB 4.14Å; F793-I813 HydrophobicContact CD2-CD1 3.79Å; F793-I813 HydrophobicContact CD2-CG1 4.08Å; F793-I813 HydrophobicContact CE2-CB 4.2Å; F793-I813 HydrophobicContact CE2-CD1 4.32Å; F793-I813 HydrophobicContact CG-CD1 4.48Å; F793-I815 HydrophobicContact CE2-CD1 3.99Å; F793-I815 HydrophobicContact CZ-CD1 4.09Å; F793-I825 HydrophobicContact CB-CD1 4.38Å; F793-I825 HydrophobicContact CD1-CD1 3.6Å; F793-I825 HydrophobicContact CD1-CG2 4.45Å; F793-I825 HydrophobicContact CD2-CB 4.5Å; F793-I825 HydrophobicContact CD2-CG2 4.09Å; F793-I825 HydrophobicContact CE1-CD1 4Å; F793-I825 HydrophobicContact CE1-CG2 4.14Å; F793-I825 HydrophobicContact CE2-CG2 3.75Å; F793-I825 HydrophobicContact CG-CD1 3.99Å; F793-I825 HydrophobicContact CG-CG2 4.41Å; F793-I825 HydrophobicContact CZ-CG2 3.78Å
794	Q	92.7	Very high	79	Confident	97 Å²	97	72.8 Å²	72.8	45%	0.453	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	130.7	179.8	-66.5	178.8	2	0	0	110.1	E792 I796 H808	E792-Q794 PolarHBondContact OE1-NE2 3.45Å; Q794-I796 HydrophobicContact CB-CG1 4.29Å; Q794-H808 PolarHBondContact OE1-NE2 3.24Å
795	L	92	Very high	80.5	Confident	38 Å²	38	68.8 Å²	68.8	20%	0.199	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	113.8	167.2	176.4	62.6	0	0	0	108.1	H808 K809 L811 F826 L833 L836	L795-H808 WeakPolarHBondContact O-CA 3.38Å; L795-K809 PolarHBondContact N-O 3.28Å; L795-K809 PolarHBondContact O-N 3.2Å; L795-L811 HydrophobicContact CB-CD1 4.32Å; L795-F826 HydrophobicContact CD2-CE2 3.77Å; L795-F826 HydrophobicContact CD2-CZ 4.17Å; L795-L833 HydrophobicContact CD1-CD1 4.42Å; L795-L833 HydrophobicContact CD2-CD1 3.82Å; L795-L836 HydrophobicContact CD2-CD2 3.46Å; L795-L836 VanDerWaalsContact CD2-CD2 3.46Å; L795-L836 HydrophobicContact CG-CD2 4.41Å
796	I	90.3	Very high	82.2	Confident	62 Å²	62	64.6 Å²	64.6	32%	0.318	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	118.2	-179.9	-48.7	175	0	0	0	108.1	Q794 Y798 P805	Q794-I796 HydrophobicContact CB-CG1 4.29Å; I796-Y798 HydrophobicContact CB-CE2 3.9Å; I796-Y798 HydrophobicContact CG2-CD2 4.16Å; I796-Y798 HydrophobicContact CG2-CE2 3.39Å; I796-P805 HydrophobicContact CG2-CB 3.67Å; I796-P805 HydrophobicContact CG2-CG 3.7Å
797	C	88.3	Confident	83.7	Confident	5 Å²	5	63.1 Å²	63.1	3%	0.034	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	126.7	-178.1	-53.1	0	0	0	0	109.9	P805 T806 N807 C837 F839	C797-P805 CarbonylContact O-C 3.25Å; C797-P805 WeakPolarHBondContact O-CA 3.32Å; C797-T806 PolarHBondContact O-N 3.42Å; C797-T806 PolarHBondContact O-OG1 3.31Å; C797-N807 HydrophobicContact CB-CB 4.25Å; C797-N807 PolarHBondContact N-O 3.09Å; C797-C837 HydrophobicContact CB-CB 3.47Å; C797-C837 VanDerWaalsContact CB-CB 3.47Å; C797-C837 WeakPolarHBondContact CB-SG 3.27Å; C797-C837 WeakPolarHBondContact SG-CA 3.41Å; C797-C837 WeakPolarHBondContact SG-CB 3.32Å; C797-C837 CovalentContact SG-SG 2.04Å; C797-C837 PolarHBondContact SG-SG 3.23Å; C797-F839 HydrophobicContact CB-CE1 4.38Å; C797-F839 HydrophobicContact CB-CZ 3.97Å
798	Y	81.3	Confident	85.2	Confident	77 Å²	77	64.9 Å²	64.9	30%	0.302	32%	0.321	S	S	.	.			trans	-116.7	147.9	173.4	-64	-93	0	0	0	109.7	I796 F803 P805 F839	I796-Y798 HydrophobicContact CB-CE2 3.9Å; I796-Y798 HydrophobicContact CG2-CD2 4.16Å; I796-Y798 HydrophobicContact CG2-CE2 3.39Å; Y798-F803 WeakPolarHBondContact CE1-O 3.45Å; Y798-P805 HydrophobicContact CD1-CG 4.34Å; Y798-P805 HydrophobicContact CE1-CB 4.4Å; Y798-P805 HydrophobicContact CE1-CG 3.68Å; Y798-F839 WeakPolarHBondContact O-CZ 3.44Å
799	T	77.8	Confident	86.1	Confident	33 Å²	33	64.9 Å²	64.9	20%	0.202	32%	0.322	C	S	.	.			trans	-94.8	158.3	164	62.7	0	0	0	0	109.2	W801 S802 T806 F839	T799-W801 PolarHBondContact O-N 3.01Å; T799-W801 VanDerWaalsContact O-N 3.11Å; T799-S802 PolarHBondContact O-N 3.41Å; T799-S802 VanDerWaalsContact O-O 3.13Å; T799-T806 HydrophobicContact CG2-CG2 3.52Å; T799-F839 HydrophobicContact CG2-CD1 4.29Å; T799-F839 HydrophobicContact CG2-CE1 3.89Å
800	I	72.1	Confident	86.7	Confident	49 Å²	49	66.7 Å²	66.7	25%	0.251	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-7.4	174	63.6	-171.9	0	0	0	113.6	W852 P853	I800-W852 HydrophobicContact CB-CH2 4.39Å; I800-W852 HydrophobicContact CB-CZ2 4.42Å; I800-W852 HydrophobicContact CG2-CH2 3.61Å; I800-W852 HydrophobicContact CG2-CZ2 4.1Å; I800-W852 HydrophobicContact CG2-CZ3 4.13Å; I800-P853 HydrophobicContact CB-CG 4.15Å; I800-P853 HydrophobicContact CD1-CG 3.7Å; I800-P853 HydrophobicContact CG1-CG 3.67Å
801	W	75.9	Confident	87	Confident	150 Å²	150	67 Å²	67	57%	0.568	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	-20.2	-175.6	-54.3	106.5	0	0	0	113.5	T799 P853	T799-W801 PolarHBondContact O-N 3.01Å; T799-W801 VanDerWaalsContact O-N 3.11Å; W801-P853 HydrophobicContact CD2-CG 4.08Å; W801-P853 HydrophobicContact CE3-CB 3.75Å; W801-P853 HydrophobicContact CE3-CG 3.76Å; W801-P853 HydrophobicContact CH2-CB 3.55Å; W801-P853 HydrophobicContact CH2-CG 3.65Å; W801-P853 HydrophobicContact CZ2-CB 4.35Å; W801-P853 HydrophobicContact CZ2-CG 3.93Å; W801-P853 HydrophobicContact CZ3-CB 3.23Å; W801-P853 HydrophobicContact CZ3-CG 3.59Å
802	S	81.5	Confident	87.1	Confident	39 Å²	39	68 Å²	68	27%	0.273	33%	0.329	S	S	.	.			trans	-144.6	142.8	-168.8	-174.7	0	0	0	0	111.9	T799 I804 P900	T799-S802 PolarHBondContact O-N 3.41Å; T799-S802 VanDerWaalsContact O-O 3.13Å; S802-I804 WeakPolarHBondContact OG-CB 3.45Å; S802-I804 PolarHBondContact OG-N 3.01Å; S802-P900 WeakPolarHBondContact O-CG 3.44Å
803	F	84.8	Confident	87	Confident	44 Å²	44	66.3 Å²	66.3	19%	0.193	32%	0.322	C	S	.	.	S	Bend	trans	-77.8	-7.4	167.5	-62.8	-64.8	0	0	0	112.9	Y798 S899 P900 M926 K928 K929	Y798-F803 WeakPolarHBondContact CE1-O 3.45Å; F803-S899 VanDerWaalsContact CZ-O 3.28Å; F803-S899 WeakPolarHBondContact CZ-O 3.31Å; F803-P900 HydrophobicContact CD1-CG 3.86Å; F803-P900 HydrophobicContact CE1-CB 4.36Å; F803-P900 HydrophobicContact CE1-CG 3.96Å; F803-M926 HydrophobicContact CE1-CE 4.47Å; F803-M926 HydrophobicContact CZ-CE 4.14Å; F803-K928 VanDerWaalsContact CE1-C 3.45Å; F803-K928 WeakPolarHBondContact CE1-O 3.18Å; F803-K929 HydrophobicContact CD2-CB 4.4Å; F803-K929 HydrophobicContact CE2-CB 4.1Å
804	I	86.3	Confident	86.6	Confident	128 Å²	128	71.2 Å²	71.2	66%	0.656	36%	0.355	S	S	*	.	S	Bend	trans	-84.1	125.9	176.5	-57.8	171.8	0	0	0	108.4	S802	S802-I804 WeakPolarHBondContact OG-CB 3.45Å; S802-I804 PolarHBondContact OG-N 3.01Å
805	P	86.9	Confident	86.1	Confident	53 Å²	53	68.6 Å²	68.6	34%	0.344	34%	0.344	S	S	.	.			trans	-59.7	139.6	174.6	-22.1	31.9	0	0	0	112.2	I796 C797 Y798	I796-P805 HydrophobicContact CG2-CB 3.67Å; I796-P805 HydrophobicContact CG2-CG 3.7Å; C797-P805 CarbonylContact O-C 3.25Å; C797-P805 WeakPolarHBondContact O-CA 3.32Å; Y798-P805 HydrophobicContact CD1-CG 4.34Å; Y798-P805 HydrophobicContact CE1-CB 4.4Å; Y798-P805 HydrophobicContact CE1-CG 3.68Å
806	T	89	Confident	85.3	Confident	55 Å²	55	70.3 Å²	70.3	34%	0.337	36%	0.357	S	S	.	.	S	Bend	trans	-82.9	-27.5	171.4	54.6	0	0	0	0	112.6	C797 T799 C837	C797-T806 PolarHBondContact O-N 3.42Å; C797-T806 PolarHBondContact O-OG1 3.31Å; T799-T806 HydrophobicContact CG2-CG2 3.52Å; T806-C837 PolarHBondContact OG1-O 2.95Å
807	N	91.3	Very high	84.3	Confident	41 Å²	41	76 Å²	76	22%	0.219	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	150.8	173.4	-167.9	23	0	0	0	110.3	C797 L836	C797-N807 HydrophobicContact CB-CB 4.25Å; C797-N807 PolarHBondContact N-O 3.09Å; N807-L836 PolarHBondContact ND2-O 3.38Å
808	H	92.6	Very high	83.4	Confident	96 Å²	96	82.3 Å²	82.3	44%	0.444	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	123.2	172.7	178.8	-161.9	0	0	0	108.3	Q794 L795	Q794-H808 PolarHBondContact OE1-NE2 3.24Å; L795-H808 WeakPolarHBondContact O-CA 3.38Å
809	K	91.4	Very high	83.1	Confident	85 Å²	85	79.9 Å²	79.9	37%	0.37	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	131	178.6	-175.3	173	-176	169.9	0	111.1	L795 L811 L836	L795-K809 PolarHBondContact N-O 3.28Å; L795-K809 PolarHBondContact O-N 3.2Å; K809-L811 HydrophobicContact CD-CD2 4.2Å; K809-L811 HydrophobicContact CG-CD2 4.23Å; K809-L836 HydrophobicContact CD-CD1 3.78Å; K809-L836 HydrophobicContact CD-CD2 4.46Å; K809-L836 HydrophobicContact CD-CG 4.47Å
810	I	93.1	Very high	83.3	Confident	79 Å²	79	81 Å²	81	41%	0.405	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	131.8	170	-59.7	173.1	0	0	0	108.9	E792 K812	E792-I810 HydrophobicContact CB-CG2 3.9Å; E792-I810 HydrophobicContact CG-CG2 4.4Å; E792-I810 WeakPolarHBondContact OE2-CG2 3.28Å; I810-K812 HydrophobicContact CG2-CG 4.24Å
811	L	90.8	Very high	84.1	Confident	29 Å²	29	80.1 Å²	80.1	15%	0.152	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	105.1	175.3	-53.2	176	0	0	0	107.6	F793 L795 K809 I813 F826	F793-L811 HydrophobicContact CB-CB 4.13Å; F793-L811 PolarHBondContact N-O 3Å; F793-L811 WeakPolarHBondContact O-CA 3.17Å; F793-L811 WeakPolarHBondContact O-CB 3.28Å; F793-L811 PolarHBondContact O-N 2.88Å; L795-L811 HydrophobicContact CB-CD1 4.32Å; K809-L811 HydrophobicContact CD-CD2 4.2Å; K809-L811 HydrophobicContact CG-CD2 4.23Å; L811-I813 HydrophobicContact CB-CD1 4.21Å; L811-I813 HydrophobicContact CB-CG1 4.29Å; L811-F826 HydrophobicContact CD1-CD2 3.98Å
812	K	88	Confident	84.8	Confident	182 Å²	182	73.6 Å²	73.6	79%	0.791	38%	0.376	S	S	*	.			trans	-87.4	114.4	173.6	-65.8	-173.5	179.3	-176.9	0	108.6	I810	I810-K812 HydrophobicContact CG2-CG 4.24Å
813	I	88.3	Confident	85.3	Confident	38 Å²	38	73 Å²	73	20%	0.195	37%	0.37	C	S	.	.			trans	-127.8	123.2	-173.5	-53.1	-176.6	0	0	0	107.2	F793 L811 I815 I825	F793-I813 HydrophobicContact CD2-CB 4.14Å; F793-I813 HydrophobicContact CD2-CD1 3.79Å; F793-I813 HydrophobicContact CD2-CG1 4.08Å; F793-I813 HydrophobicContact CE2-CB 4.2Å; F793-I813 HydrophobicContact CE2-CD1 4.32Å; F793-I813 HydrophobicContact CG-CD1 4.48Å; L811-I813 HydrophobicContact CB-CD1 4.21Å; L811-I813 HydrophobicContact CB-CG1 4.29Å; I813-I815 PolarHBondContact O-N 3.32Å; I813-I825 HydrophobicContact CD1-CB 3.31Å; I813-I825 HydrophobicContact CD1-CG2 3.67Å; I813-I825 WeakPolarHBondContact CD1-O 3.36Å
814	P	84.4	Confident	85.6	Confident	116 Å²	116	74.3 Å²	74.3	75%	0.753	37%	0.373	S	S	*	.			trans	-66.3	125.6	178.5	27.2	-32.4	0	0	0	109.4
815	I	82.1	Confident	86	Confident	41 Å²	41	69 Å²	69	21%	0.21	35%	0.346	C	S	.	.			trans	-106.4	118.9	176.1	-58.1	177.8	0	0	0	107.7	W777 F789 P790 F793 I813 I819 I823	W777-I815 HydrophobicContact CE3-CD1 4.41Å; W777-I815 HydrophobicContact CH2-CD1 4.44Å; W777-I815 HydrophobicContact CH2-CG2 4.36Å; W777-I815 HydrophobicContact CZ3-CD1 4.09Å; W777-I815 HydrophobicContact CZ3-CG2 3.87Å; F789-I815 HydrophobicContact CB-CD1 4.48Å; F789-I815 HydrophobicContact CD1-CG2 3.68Å; F789-I815 HydrophobicContact CE1-CG2 4.05Å; F789-I815 HydrophobicContact CG-CG2 4.29Å; P790-I815 HydrophobicContact CG-CD1 3.66Å; P790-I815 WeakPolarHBondContact O-CD1 3.24Å; F793-I815 HydrophobicContact CE2-CD1 3.99Å; F793-I815 HydrophobicContact CZ-CD1 4.09Å; I813-I815 PolarHBondContact O-N 3.32Å; I815-I819 HydrophobicContact CG2-CG2 3.84Å; I815-I823 HydrophobicContact CG1-CD1 4.48Å; I815-I823 HydrophobicContact CG2-CD1 4.03Å
816	P	75.2	Confident	86.3	Confident	74 Å²	74	67.4 Å²	67.4	48%	0.481	33%	0.334	S	S	.	.			trans	-57.1	147.8	172.9	-23.3	33.2	0	0	0	111.7	F818 I819	P816-F818 PolarHBondContact O-N 3.12Å; P816-I819 HydrophobicContact CG-CD1 4.16Å
817	K	70	Confident	86.4	Confident	182 Å²	182	69.1 Å²	69.1	79%	0.791	34%	0.341	S	S	*	.	S	Bend	trans	-64.7	131.6	170.8	-68	-177	179.7	178.5	0	108.9
818	F	68.8	Low	86.4	Confident	137 Å²	137	70.9 Å²	70.9	60%	0.601	35%	0.347	S	S	*	.	S	Bend	trans	60.6	81.8	179.2	-52.9	-81.1	0	0	0	114	N787 P816	N787-F818 WeakPolarHBondContact ND2-CD1 3.38Å; N787-F818 WeakPolarHBondContact ND2-CE1 3.2Å; P816-F818 PolarHBondContact O-N 3.12Å
819	I	75.7	Confident	86.2	Confident	27 Å²	27	67.5 Å²	67.5	14%	0.138	33%	0.334	C	S	.	.			trans	-121.6	126.2	-179.2	-174.7	139.6	0	0	0	112	W777 F789 I815 P816 C821 I823	W777-I819 HydrophobicContact CH2-CG2 4.31Å; W777-I819 HydrophobicContact CZ3-CG2 3.94Å; F789-I819 HydrophobicContact CE1-CG2 3.76Å; I815-I819 HydrophobicContact CG2-CG2 3.84Å; P816-I819 HydrophobicContact CG-CD1 4.16Å; I819-C821 WeakPolarHBondContact CG1-O 3.39Å; I819-I823 HydrophobicContact CD1-CD1 3.49Å; I819-I823 VanDerWaalsContact CD1-CD1 3.49Å; I819-I823 HydrophobicContact CD1-CG1 3.51Å; I819-I823 HydrophobicContact CG1-CD1 4.15Å; I819-I823 HydrophobicContact CG1-CG1 4.17Å; I819-I823 HydrophobicContact CG2-CD1 4.19Å
820	Q	81.6	Confident	85.8	Confident	56 Å²	56	65.8 Å²	65.8	26%	0.262	33%	0.329	S	S	.	.			trans	-109.7	-7.9	175.5	-65	-167	2.4	0	0	113.6	K690 F706	K690-Q820 PolarHBondContact NZ-O 3.35Å; F706-Q820 HydrophobicContact CE1-CB 4.06Å; F706-Q820 HydrophobicContact CZ-CB 4.18Å
821	C	88.7	Confident	85.4	Confident	31 Å²	31	67.9 Å²	67.9	21%	0.209	34%	0.335	C	S	.	.	S	Bend	trans	-96.4	145.8	-178.7	-64.8	0	0	0	0	110.7	C691 I819	C691-C821 HydrophobicContact CB-CB 3.66Å; C691-C821 WeakPolarHBondContact CB-SG 3.03Å; C691-C821 VanDerWaalsContact SG-CA 3.54Å; C691-C821 WeakPolarHBondContact SG-CB 3.49Å; C691-C821 CovalentContact SG-SG 2.03Å; C691-C821 PolarHBondContact SG-SG 3.25Å; I819-C821 WeakPolarHBondContact CG1-O 3.39Å
822	P	91.1	Very high	85.3	Confident	12 Å²	12	70.2 Å²	70.2	8%	0.078	35%	0.347	C	S	.	.			trans	-59.5	136.8	173.7	-24.2	34	0	0	0	112.7	M687 K690 D776 W777 I778	M687-P822 WeakPolarHBondContact O-CG 3.49Å; K690-P822 HydrophobicContact CB-CG 4.29Å; D776-P822 HydrophobicContact CB-CB 4.35Å; W777-P822 CarbonylContact O-C 3.55Å; W777-P822 VanDerWaalsContact O-CA 3.28Å; W777-P822 WeakPolarHBondContact O-CA 3.45Å; I778-P822 HydrophobicContact CG1-CB 4.11Å; I778-P822 HydrophobicContact CG1-CG 4.15Å
823	I	91.1	Very high	85.3	Confident	26 Å²	26	62.8 Å²	62.8	13%	0.133	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	132.2	177.9	-54.4	178.3	0	0	0	109.5	D776 W777 I815 I819 I825	D776-I823 CarbonylContact C-O 3.57Å; D776-I823 VanDerWaalsContact CA-O 3.24Å; D776-I823 WeakPolarHBondContact CA-O 3.4Å; W777-I823 HydrophobicContact CE3-CB 4.4Å; W777-I823 HydrophobicContact CE3-CD1 3.8Å; W777-I823 HydrophobicContact CE3-CG1 4.19Å; W777-I823 HydrophobicContact CZ3-CD1 3.8Å; W777-I823 HydrophobicContact CZ3-CG1 4.49Å; W777-I823 PolarHBondContact N-O 3.16Å; W777-I823 PolarHBondContact O-N 3.37Å; I815-I823 HydrophobicContact CG1-CD1 4.48Å; I815-I823 HydrophobicContact CG2-CD1 4.03Å; I819-I823 HydrophobicContact CD1-CD1 3.49Å; I819-I823 VanDerWaalsContact CD1-CD1 3.49Å; I819-I823 HydrophobicContact CD1-CG1 3.51Å; I819-I823 HydrophobicContact CG1-CD1 4.15Å; I819-I823 HydrophobicContact CG1-CG1 4.17Å; I819-I823 HydrophobicContact CG2-CD1 4.19Å; I823-I825 PolarHBondContact O-N 2.65Å
824	R	91.8	Very high	85.2	Confident	72 Å²	72	62.3 Å²	62.3	27%	0.272	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	112.5	171	-175.3	60.6	55.8	101.9	-6.1	109.6	R688 E774 A775 D776 F826 N827	R688-R824 VanDerWaalsContact NH2-NH2 3.14Å; E774-R824 VanDerWaalsContact CD-NH2 3.27Å; E774-R824 IonicContact OE1-CZ 2.6Å; E774-R824 IonicContact OE1-NH1 2.65Å; E774-R824 PolarHBondContact OE1-NH1 3.26Å; E774-R824 IonicContact OE1-NH2 3.15Å; E774-R824 IonicContact OE2-CZ 2.99Å; E774-R824 VanDerWaalsContact OE2-CZ 3.3Å; E774-R824 IonicContact OE2-NH1 2.66Å; E774-R824 PolarHBondContact OE2-NH1 2.97Å; E774-R824 IonicContact OE2-NH2 3.81Å; E774-R824 PolarHBondContact OE2-NH2 3Å; A775-R824 WeakPolarHBondContact O-CD 3.42Å; D776-R824 WeakPolarHBondContact OD1-CA 3.46Å; D776-R824 IonicContact OD1-CZ 3.72Å; D776-R824 PolarHBondContact OD1-N 2.88Å; D776-R824 IonicContact OD1-NE 2.91Å; D776-R824 PolarHBondContact OD1-NE 3.14Å; D776-R824 IonicContact OD1-NH2 2.95Å; D776-R824 IonicContact OD2-CZ 3.19Å; D776-R824 IonicContact OD2-NE 2.7Å; D776-R824 PolarHBondContact OD2-NE 3.25Å; D776-R824 IonicContact OD2-NH2 3.78Å; D776-R824 PolarHBondContact OD2-NH2 3.14Å; R824-F826 WeakPolarHBondContact CD-O 3.44Å; R824-N827 HydrophobicContact CG-CB 4.34Å
825	I	94	Very high	85.4	Confident	17 Å²	17	64.9 Å²	64.9	9%	0.087	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	-20.6	-179.6	60.7	161.7	0	0	0	113.4	I754 A775 W777 F793 I813 I823	I754-I825 HydrophobicContact CB-CD1 4.48Å; I754-I825 HydrophobicContact CD1-CD1 3.69Å; I754-I825 HydrophobicContact CG1-CD1 3.8Å; I754-I825 HydrophobicContact CG2-CD1 3.87Å; A775-I825 HydrophobicContact CB-CD1 4.43Å; A775-I825 HydrophobicContact CB-CG1 4Å; A775-I825 WeakPolarHBondContact O-CG1 3.48Å; A775-I825 PolarHBondContact O-N 2.83Å; W777-I825 HydrophobicContact CB-CD1 4.25Å; W777-I825 HydrophobicContact CB-CG1 4.45Å; W777-I825 HydrophobicContact CB-CG2 3.63Å; F793-I825 HydrophobicContact CB-CD1 4.38Å; F793-I825 HydrophobicContact CD1-CD1 3.6Å; F793-I825 HydrophobicContact CD1-CG2 4.45Å; F793-I825 HydrophobicContact CD2-CB 4.5Å; F793-I825 HydrophobicContact CD2-CG2 4.09Å; F793-I825 HydrophobicContact CE1-CD1 4Å; F793-I825 HydrophobicContact CE1-CG2 4.14Å; F793-I825 HydrophobicContact CE2-CG2 3.75Å; F793-I825 HydrophobicContact CG-CD1 3.99Å; F793-I825 HydrophobicContact CG-CG2 4.41Å; F793-I825 HydrophobicContact CZ-CG2 3.78Å; I813-I825 HydrophobicContact CD1-CB 3.31Å; I813-I825 HydrophobicContact CD1-CG2 3.67Å; I813-I825 WeakPolarHBondContact CD1-O 3.36Å; I823-I825 PolarHBondContact O-N 2.65Å
826	F	92.4	Very high	85.7	Confident	20 Å²	20	64.2 Å²	64.2	9%	0.088	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	134.2	179.2	-171.3	-96.2	0	0	0	110.1	I773 E774 A775 L795 L811 R824 K828 L833	I773-F826 HydrophobicContact CB-CE1 4.33Å; I773-F826 HydrophobicContact CG2-CD1 4.22Å; I773-F826 HydrophobicContact CG2-CE1 4.16Å; E774-F826 WeakPolarHBondContact CA-O 3.37Å; A775-F826 HydrophobicContact CB-CB 3.7Å; A775-F826 PolarHBondContact N-O 2.87Å; A775-F826 PolarHBondContact O-N 2.79Å; A775-F826 VanDerWaalsContact O-N 3.14Å; L795-F826 HydrophobicContact CD2-CE2 3.77Å; L795-F826 HydrophobicContact CD2-CZ 4.17Å; L811-F826 HydrophobicContact CD1-CD2 3.98Å; R824-F826 WeakPolarHBondContact CD-O 3.44Å; F826-K828 HydrophobicContact CE1-CB 3.72Å; F826-K828 HydrophobicContact CE1-CG 4.11Å; F826-K828 HydrophobicContact CE2-CB 4.45Å; F826-K828 HydrophobicContact CE2-CD 3.78Å; F826-K828 HydrophobicContact CE2-CG 3.99Å; F826-K828 HydrophobicContact CZ-CB 3.64Å; F826-K828 HydrophobicContact CZ-CD 3.63Å; F826-K828 HydrophobicContact CZ-CG 3.66Å; F826-L833 HydrophobicContact CE1-CD1 4.37Å; F826-L833 HydrophobicContact CZ-CD1 3.8Å
827	N	91.8	Very high	86.3	Confident	91 Å²	91	60.9 Å²	60.9	49%	0.487	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	103.2	175.1	-174.7	-0.4	0	0	0	108.5	I772 I773 R824	I772-N827 WeakPolarHBondContact CG2-OD1 3.5Å; I773-N827 WeakPolarHBondContact O-CA 3.47Å; R824-N827 HydrophobicContact CG-CB 4.34Å
828	K	91.3	Very high	87	Confident	78 Å²	78	58.6 Å²	58.6	34%	0.339	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	150.4	178.6	-69.8	-165	171.6	-71.3	0	111.2	I773 F826 D832	I773-K828 PolarHBondContact N-O 2.7Å; I773-K828 PolarHBondContact O-N 2.84Å; I773-K828 VanDerWaalsContact O-N 3.08Å; F826-K828 HydrophobicContact CE1-CB 3.72Å; F826-K828 HydrophobicContact CE1-CG 4.11Å; F826-K828 HydrophobicContact CE2-CB 4.45Å; F826-K828 HydrophobicContact CE2-CD 3.78Å; F826-K828 HydrophobicContact CE2-CG 3.99Å; F826-K828 HydrophobicContact CZ-CB 3.64Å; F826-K828 HydrophobicContact CZ-CD 3.63Å; F826-K828 HydrophobicContact CZ-CG 3.66Å; K828-D832 HydrophobicContact CB-CB 4.26Å; K828-D832 HydrophobicContact CD-CB 4.37Å
829	S	89.5	Confident	87.6	Confident	25 Å²	25	54.6 Å²	54.6	18%	0.175	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	152.4	169.5	75.1	0	0	0	0	110.7	K831 D832 L833	S829-K831 PolarHBondContact O-N 3.37Å; S829-D832 PolarHBondContact O-N 3.19Å; S829-D832 VanDerWaalsContact O-N 3.11Å; S829-D832 PolarHBondContact OG-N 2.86Å; S829-D832 PolarHBondContact OG-OD2 2.81Å; S829-L833 PolarHBondContact O-N 3.41Å
830	L	83.2	Confident	87.2	Confident	49 Å²	49	59.2 Å²	59.2	26%	0.257	29%	0.288	S	S	.	.	H	α-helix	trans	-55.2	-35.7	172.7	-179.2	64.1	0	0	0	111.7	G771 I773 L833 N834	G771-L830 PolarHBondContact O-N 2.99Å; I773-L830 HydrophobicContact CD1-CB 4.43Å; I773-L830 HydrophobicContact CD1-CD1 3.74Å; L830-L833 PolarHBondContact O-N 3.29Å; L830-N834 WeakPolarHBondContact O-CB 3.3Å; L830-N834 PolarHBondContact O-N 2.77Å; L830-N834 PolarHBondContact O-ND2 2.73Å
831	K	84.5	Confident	85.8	Confident	122 Å²	122	61.5 Å²	61.5	53%	0.53	30%	0.295	S	S	.	.	H	α-helix	trans	-62.5	-45.7	176.4	-175.9	-178.7	177.6	-177.1	0	112.1	S829 N834 K835 Y841	S829-K831 PolarHBondContact O-N 3.37Å; K831-N834 PolarHBondContact O-N 2.91Å; K831-K835 PolarHBondContact O-N 2.74Å; K831-Y841 HydrophobicContact CB-CE2 4.4Å; K831-Y841 HydrophobicContact CG-CE2 4.22Å
832	D	88.4	Confident	84	Confident	78 Å²	78	70 Å²	70	42%	0.417	33%	0.328	S	S	.	.	H	α-helix	trans	-68	-37.8	178.1	-62.4	-42.1	0	0	0	111.8	K828 S829 K835 L836	K828-D832 HydrophobicContact CB-CB 4.26Å; K828-D832 HydrophobicContact CD-CB 4.37Å; S829-D832 PolarHBondContact O-N 3.19Å; S829-D832 VanDerWaalsContact O-N 3.11Å; S829-D832 PolarHBondContact OG-N 2.86Å; S829-D832 PolarHBondContact OG-OD2 2.81Å; D832-K835 PolarHBondContact O-N 2.86Å; D832-L836 VanDerWaalsContact O-CB 3.26Å; D832-L836 WeakPolarHBondContact O-CB 3.43Å; D832-L836 PolarHBondContact O-N 2.89Å
833	L	87.6	Confident	81.9	Confident	27 Å²	27	78.2 Å²	78.2	14%	0.141	36%	0.363	C	S	.	.	H	α-helix	trans	-63.7	-43.9	174.4	-178.4	65.3	0	0	0	111	I773 L795 F826 S829 L830 K835 L836 C837	I773-L833 HydrophobicContact CD1-CB 4.25Å; I773-L833 HydrophobicContact CD1-CD2 3.26Å; I773-L833 HydrophobicContact CD1-CG 4.37Å; L795-L833 HydrophobicContact CD1-CD1 4.42Å; L795-L833 HydrophobicContact CD2-CD1 3.82Å; F826-L833 HydrophobicContact CE1-CD1 4.37Å; F826-L833 HydrophobicContact CZ-CD1 3.8Å; S829-L833 PolarHBondContact O-N 3.41Å; L830-L833 PolarHBondContact O-N 3.29Å; L833-K835 PolarHBondContact O-N 3.31Å; L833-L836 CarbonylContact O-C 3.56Å; L833-L836 PolarHBondContact O-N 2.86Å; L833-L836 VanDerWaalsContact O-N 3.16Å; L833-C837 WeakPolarHBondContact O-CB 3.37Å; L833-C837 PolarHBondContact O-N 2.92Å
834	N	85.8	Confident	79.6	Confident	27 Å²	27	80.4 Å²	80.4	14%	0.144	38%	0.375	C	S	.	.	H	α-helix	trans	-60.5	-44.4	176.8	-74	-19.5	0	0	0	111.8	L830 K831 L836 C837 H838 F839 Y841	L830-N834 WeakPolarHBondContact O-CB 3.3Å; L830-N834 PolarHBondContact O-N 2.77Å; L830-N834 PolarHBondContact O-ND2 2.73Å; K831-N834 PolarHBondContact O-N 2.91Å; N834-L836 VanDerWaalsContact C-N 3.32Å; N834-L836 PolarHBondContact O-N 3.49Å; N834-C837 PolarHBondContact O-N 2.58Å; N834-H838 PolarHBondContact O-N 3.42Å; N834-H838 VanDerWaalsContact O-N 3.08Å; N834-F839 HydrophobicContact CB-CB 4.31Å; N834-F839 PolarHBondContact O-N 3.09Å; N834-Y841 HydrophobicContact CB-CD2 4.33Å; N834-Y841 HydrophobicContact CB-CE2 4.03Å; N834-Y841 VanDerWaalsContact ND2-CE2 3.29Å; N834-Y841 WeakPolarHBondContact ND2-CE2 3.43Å
835	K	87.8	Confident	77.2	Confident	171 Å²	171	84.3 Å²	84.3	74%	0.743	39%	0.394	S	S	*	.	H	α-helix	trans	-59.6	-44.9	174.1	-176.1	178.5	179.5	-179.7	0	111.1	K831 D832 L833 H838	K831-K835 PolarHBondContact O-N 2.74Å; D832-K835 PolarHBondContact O-N 2.86Å; L833-K835 PolarHBondContact O-N 3.31Å; K835-H838 PolarHBondContact O-N 2.84Å
836	L	88.6	Confident	74.8	Confident	27 Å²	27	87.6 Å²	87.6	14%	0.141	42%	0.416	C	S	.	.	H	α-helix	trans	-65.5	-39	179.7	-173.1	141.9	0	0	0	112	L795 N807 K809 D832 L833 N834 H838	L795-L836 HydrophobicContact CD2-CD2 3.46Å; L795-L836 VanDerWaalsContact CD2-CD2 3.46Å; L795-L836 HydrophobicContact CG-CD2 4.41Å; N807-L836 PolarHBondContact ND2-O 3.38Å; K809-L836 HydrophobicContact CD-CD1 3.78Å; K809-L836 HydrophobicContact CD-CD2 4.46Å; K809-L836 HydrophobicContact CD-CG 4.47Å; D832-L836 VanDerWaalsContact O-CB 3.26Å; D832-L836 WeakPolarHBondContact O-CB 3.43Å; D832-L836 PolarHBondContact O-N 2.89Å; L833-L836 CarbonylContact O-C 3.56Å; L833-L836 PolarHBondContact O-N 2.86Å; L833-L836 VanDerWaalsContact O-N 3.16Å; N834-L836 VanDerWaalsContact C-N 3.32Å; N834-L836 PolarHBondContact O-N 3.49Å; L836-H838 VanDerWaalsContact C-N 3.29Å; L836-H838 PolarHBondContact O-N 2.04Å
837	C	88.5	Confident	72.5	Confident	4 Å²	4	93.7 Å²	93.7	3%	0.027	44%	0.442	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	1.8	178.8	-70.4	0	0	0	0	114.3	C797 T806 L833 N834 F839	C797-C837 HydrophobicContact CB-CB 3.47Å; C797-C837 VanDerWaalsContact CB-CB 3.47Å; C797-C837 WeakPolarHBondContact CB-SG 3.27Å; C797-C837 WeakPolarHBondContact SG-CA 3.41Å; C797-C837 WeakPolarHBondContact SG-CB 3.32Å; C797-C837 CovalentContact SG-SG 2.04Å; C797-C837 PolarHBondContact SG-SG 3.23Å; T806-C837 PolarHBondContact OG1-O 2.95Å; L833-C837 WeakPolarHBondContact O-CB 3.37Å; L833-C837 PolarHBondContact O-N 2.92Å; N834-C837 PolarHBondContact O-N 2.58Å; C837-F839 VanDerWaalsContact C-N 3.26Å; C837-F839 HydrophobicContact CB-CD1 3.92Å; C837-F839 HydrophobicContact CB-CD2 3.6Å; C837-F839 HydrophobicContact CB-CE1 3.76Å; C837-F839 HydrophobicContact CB-CE2 3.43Å; C837-F839 VanDerWaalsContact CB-CE2 3.43Å; C837-F839 HydrophobicContact CB-CG 3.85Å; C837-F839 HydrophobicContact CB-CZ 3.52Å; C837-F839 WeakPolarHBondContact O-CD1 3.45Å; C837-F839 PolarHBondContact O-N 3.01Å
838	H	85.6	Confident	70.2	Confident	134 Å²	134	94.4 Å²	94.4	62%	0.62	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.7	33.4	-173.7	-51.6	-65.4	0	0	0	114	N834 K835 L836	N834-H838 PolarHBondContact O-N 3.42Å; N834-H838 VanDerWaalsContact O-N 3.08Å; K835-H838 PolarHBondContact O-N 2.84Å; L836-H838 VanDerWaalsContact C-N 3.29Å; L836-H838 PolarHBondContact O-N 2.04Å
839	F	80.1	Confident	68.4	Low	52 Å²	52	92.2 Å²	92.2	23%	0.228	44%	0.435	C	S	.	.			trans	-84	131.6	177.9	-61	-23.8	0	0	0	111.3	C797 Y798 T799 N834 C837	C797-F839 HydrophobicContact CB-CE1 4.38Å; C797-F839 HydrophobicContact CB-CZ 3.97Å; Y798-F839 WeakPolarHBondContact O-CZ 3.44Å; T799-F839 HydrophobicContact CG2-CD1 4.29Å; T799-F839 HydrophobicContact CG2-CE1 3.89Å; N834-F839 HydrophobicContact CB-CB 4.31Å; N834-F839 PolarHBondContact O-N 3.09Å; C837-F839 VanDerWaalsContact C-N 3.26Å; C837-F839 HydrophobicContact CB-CD1 3.92Å; C837-F839 HydrophobicContact CB-CD2 3.6Å; C837-F839 HydrophobicContact CB-CE1 3.76Å; C837-F839 HydrophobicContact CB-CE2 3.43Å; C837-F839 VanDerWaalsContact CB-CE2 3.43Å; C837-F839 HydrophobicContact CB-CG 3.85Å; C837-F839 HydrophobicContact CB-CZ 3.52Å; C837-F839 WeakPolarHBondContact O-CD1 3.45Å; C837-F839 PolarHBondContact O-N 3.01Å
840	N	67	Low	66.4	Low	124 Å²	124	96.7 Å²	96.7	66%	0.663	45%	0.451	S	S	*	.			trans	-88.8	109.9	-179.3	-99.1	-30	0	0	0	111	K842 K843	N840-K842 PolarHBondContact O-N 3.47Å; N840-K843 PolarHBondContact O-N 3.11Å; N840-K843 VanDerWaalsContact O-N 3.11Å
841	Y	53.4	Low	64.9	Low	105 Å²	105	102.4 Å²	102.4	41%	0.412	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.8	-27.2	-177.6	-111.9	-86.5	0	0	0	115.3	K831 N834	K831-Y841 HydrophobicContact CB-CE2 4.4Å; K831-Y841 HydrophobicContact CG-CE2 4.22Å; N834-Y841 HydrophobicContact CB-CD2 4.33Å; N834-Y841 HydrophobicContact CB-CE2 4.03Å; N834-Y841 VanDerWaalsContact ND2-CE2 3.29Å; N834-Y841 WeakPolarHBondContact ND2-CE2 3.43Å
842	K	51.1	Low	63.7	Low	208 Å²	208	99 Å²	99	90%	0.904	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-22.5	-176.1	-73.9	-172	178.1	-178.6	0	114.3	N840	N840-K842 PolarHBondContact O-N 3.47Å
843	K	46.2	Very low	62.3	Low	186 Å²	186	95.7 Å²	95.7	81%	0.809	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.1	-24.6	-175.9	-78.3	-174.8	176.2	179.7	0	114.3	N840	N840-K843 PolarHBondContact O-N 3.11Å; N840-K843 VanDerWaalsContact O-N 3.11Å
844	D	43	Very low	61.1	Low	71 Å²	71	104 Å²	104	38%	0.38	48%	0.475	S	S	.	.			trans	-114.8	58	-168.4	-58.1	-45.3	0	0	0	112.9	P846	D844-P846 WeakPolarHBondContact O-CD 3.44Å
845	K	41.9	Very low	60.1	Low	155 Å²	155	106.5 Å²	106.5	67%	0.674	49%	0.488	S	S	*	.			trans	-93.3	90.3	166	-74.9	-172.2	180	179.9	0	110.6	K847	K845-K847 VanDerWaalsContact C-N 3.31Å; K845-K847 PolarHBondContact O-N 3.07Å
846	P	43.9	Very low	59.3	Low	85 Å²	85	98.4 Å²	98.4	55%	0.552	45%	0.453	S	S	*	.			trans	-90.8	77.6	148.8	33.9	-25.1	0	0	0	106.7	D844 E848	D844-P846 WeakPolarHBondContact O-CD 3.44Å; P846-E848 WeakPolarHBondContact CA-O 3.47Å; P846-E848 WeakPolarHBondContact CB-O 3.23Å; P846-E848 PolarHBondContact O-N 3.11Å
847	K	42.6	Very low	58.7	Low	149 Å²	149	97.1 Å²	97.1	65%	0.648	45%	0.447	S	S	*	.	S	Bend	trans	-60.5	-23.3	155.1	-103.4	-167.9	174.7	-169	0	109.7	N769 K845	N769-K847 VanDerWaalsContact CG-CE 3.48Å; N769-K847 WeakPolarHBondContact ND2-CE 3.5Å; N769-K847 WeakPolarHBondContact OD1-CE 3.31Å; N769-K847 PolarHBondContact OD1-NZ 3.24Å; N769-K847 VanDerWaalsContact OD1-NZ 3.13Å; K845-K847 VanDerWaalsContact C-N 3.31Å; K845-K847 PolarHBondContact O-N 3.07Å
848	E	43.9	Very low	58.2	Low	106 Å²	106	103.1 Å²	103.1	50%	0.495	47%	0.472	S	S	.	.	S	Bend	trans	-137.5	146.7	-179.8	-66	158.4	-150.3	0	0	107.9	P846 K850	P846-E848 WeakPolarHBondContact CA-O 3.47Å; P846-E848 WeakPolarHBondContact CB-O 3.23Å; P846-E848 PolarHBondContact O-N 3.11Å; E848-K850 HydrophobicContact CB-CB 4.22Å; E848-K850 HydrophobicContact CB-CD 4.28Å; E848-K850 HydrophobicContact CB-CG 4.04Å; E848-K850 PolarHBondContact O-N 3.11Å; E848-K850 WeakPolarHBondContact OE2-CD 3.4Å; E848-K850 WeakPolarHBondContact OE2-CE 3.26Å; E848-K850 IonicContact OE2-NZ 3.12Å; E848-K850 PolarHBondContact OE2-NZ 2.84Å
849	I	52.9	Low	58.1	Low	32 Å²	32	100 Å²	100	16%	0.164	46%	0.456	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.1	-11.7	171.5	-70.6	174	0	0	0	113.5	W586 Y650 I651 K851 L957	W586-I849 HydrophobicContact CH2-CD1 3.96Å; W586-I849 HydrophobicContact CZ3-CD1 4.25Å; Y650-I849 WeakPolarHBondContact O-CD1 3.08Å; I651-I849 HydrophobicContact CG1-CD1 4.14Å; I849-K851 VanDerWaalsContact C-N 3.34Å; I849-K851 PolarHBondContact O-N 2.69Å; I849-L957 HydrophobicContact CB-CD2 4.16Å; I849-L957 HydrophobicContact CB-CG 4.5Å; I849-L957 HydrophobicContact CD1-CD1 3.89Å; I849-L957 HydrophobicContact CD1-CD2 3.98Å; I849-L957 HydrophobicContact CD1-CG 4.44Å; I849-L957 HydrophobicContact CG1-CD1 4.49Å; I849-L957 HydrophobicContact CG1-CD2 3.85Å; I849-L957 HydrophobicContact CG2-CD1 3.55Å; I849-L957 HydrophobicContact CG2-CD2 3.41Å; I849-L957 VanDerWaalsContact CG2-CD2 3.41Å; I849-L957 HydrophobicContact CG2-CG 3.32Å
850	K	48.3	Very low	58.5	Low	119 Å²	119	98.4 Å²	98.4	52%	0.517	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-18.8	-171.1	-68.1	-176.1	-162.6	157.6	0	116.6	T652 E848	T652-K850 VanDerWaalsContact OG1-CG 3.25Å; T652-K850 WeakPolarHBondContact OG1-CG 3.43Å; E848-K850 HydrophobicContact CB-CB 4.22Å; E848-K850 HydrophobicContact CB-CD 4.28Å; E848-K850 HydrophobicContact CB-CG 4.04Å; E848-K850 PolarHBondContact O-N 3.11Å; E848-K850 WeakPolarHBondContact OE2-CD 3.4Å; E848-K850 WeakPolarHBondContact OE2-CE 3.26Å; E848-K850 IonicContact OE2-NZ 3.12Å; E848-K850 PolarHBondContact OE2-NZ 2.84Å
851	K	51	Low	59.6	Low	168 Å²	168	98 Å²	98	73%	0.73	44%	0.441	S	S	*	.			trans	-115.7	76.2	-178.4	-70.3	-173.2	179.9	-178.2	0	111.9	I849	I849-K851 VanDerWaalsContact C-N 3.34Å; I849-K851 PolarHBondContact O-N 2.69Å
852	W	60.7	Low	61.6	Low	52 Å²	52	93.8 Å²	93.8	20%	0.197	43%	0.426	C	S	.	.			trans	-97	153.7	175.1	-150.3	-110.9	0	0	0	110.7	I800 K854 S856 L902 A958	I800-W852 HydrophobicContact CB-CH2 4.39Å; I800-W852 HydrophobicContact CB-CZ2 4.42Å; I800-W852 HydrophobicContact CG2-CH2 3.61Å; I800-W852 HydrophobicContact CG2-CZ2 4.1Å; I800-W852 HydrophobicContact CG2-CZ3 4.13Å; W852-K854 PolarHBondContact O-N 3.44Å; W852-S856 PolarHBondContact NE1-OG 3.41Å; W852-S856 VanDerWaalsContact NE1-OG 3.16Å; W852-L902 HydrophobicContact CH2-CB 4.24Å; W852-L902 HydrophobicContact CH2-CD1 3.13Å; W852-L902 HydrophobicContact CH2-CG 3.37Å; W852-L902 HydrophobicContact CZ2-CB 4.28Å; W852-L902 HydrophobicContact CZ2-CD1 3.97Å; W852-L902 HydrophobicContact CZ2-CG 3.69Å; W852-L902 HydrophobicContact CZ3-CD1 3.63Å; W852-L902 HydrophobicContact CZ3-CG 4.3Å; W852-A958 HydrophobicContact CG-CB 4.31Å
853	P	59.5	Low	63.6	Low	7 Å²	7	88.1 Å²	88.1	5%	0.045	40%	0.401	C	S	.	.			trans	-50.2	136.5	175.9	-32.8	39.9	0	0	0	112.6	I800 W801 N855 S856	I800-P853 HydrophobicContact CB-CG 4.15Å; I800-P853 HydrophobicContact CD1-CG 3.7Å; I800-P853 HydrophobicContact CG1-CG 3.67Å; W801-P853 HydrophobicContact CD2-CG 4.08Å; W801-P853 HydrophobicContact CE3-CB 3.75Å; W801-P853 HydrophobicContact CE3-CG 3.76Å; W801-P853 HydrophobicContact CH2-CB 3.55Å; W801-P853 HydrophobicContact CH2-CG 3.65Å; W801-P853 HydrophobicContact CZ2-CB 4.35Å; W801-P853 HydrophobicContact CZ2-CG 3.93Å; W801-P853 HydrophobicContact CZ3-CB 3.23Å; W801-P853 HydrophobicContact CZ3-CG 3.59Å; P853-N855 PolarHBondContact O-N 3.29Å; P853-S856 WeakPolarHBondContact CB-OG 3.35Å; P853-S856 WeakPolarHBondContact CG-OG 3.4Å; P853-S856 PolarHBondContact O-N 3.26Å
854	K	62.3	Low	65.9	Low	202 Å²	202	81.3 Å²	81.3	88%	0.878	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-26.1	173.5	-73.6	-172.8	177.4	-177.3	0	113.3	W852	W852-K854 PolarHBondContact O-N 3.44Å
855	N	63.4	Low	68.5	Low	80 Å²	80	78.8 Å²	78.8	43%	0.428	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-16.5	-177.9	-76.1	-16.2	0	0	0	114.4	P853 K858 Y859	P853-N855 PolarHBondContact O-N 3.29Å; N855-K858 WeakPolarHBondContact O-CB 3.41Å; N855-K858 PolarHBondContact O-N 3.21Å; N855-Y859 HydrophobicContact CB-CD2 4.44Å; N855-Y859 HydrophobicContact CB-CE2 3.92Å; N855-Y859 WeakPolarHBondContact O-CD2 3.43Å
856	S	71.4	Confident	70.9	Confident	1 Å²	1	77.6 Å²	77.6	1%	0.007	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	147.5	179.6	-73.1	0	0	0	0	110.5	W852 P853 K858 S899 M962	W852-S856 PolarHBondContact NE1-OG 3.41Å; W852-S856 VanDerWaalsContact NE1-OG 3.16Å; P853-S856 WeakPolarHBondContact CB-OG 3.35Å; P853-S856 WeakPolarHBondContact CG-OG 3.4Å; P853-S856 PolarHBondContact O-N 3.26Å; S856-K858 PolarHBondContact O-N 3.08Å; S856-S899 PolarHBondContact OG-OG 3.49Å; S856-M962 WeakPolarHBondContact O-CE 3.36Å
857	G	76.1	Confident	73.2	Confident	0 Å²	0	77 Å²	77	0%	0	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.4	-35.7	-168.3	0	0	0	0	0	113.4	Y859 L860 E901	G857-Y859 VanDerWaalsContact C-N 3.28Å; G857-Y859 PolarHBondContact O-N 3.31Å; G857-L860 WeakPolarHBondContact O-CB 3.42Å; G857-L860 PolarHBondContact O-N 3.08Å; G857-L860 VanDerWaalsContact O-N 3.15Å; G857-E901 VanDerWaalsContact N-CD 3.3Å; G857-E901 PolarHBondContact N-OE1 3.25Å; G857-E901 PolarHBondContact N-OE2 2.69Å; G857-E901 VanDerWaalsContact N-OE2 3.15Å
858	K	77.7	Confident	75.3	Confident	130 Å²	130	71.1 Å²	71.1	57%	0.565	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-33.7	-174.7	-174.7	176.9	-180	176.2	0	113.6	N855 S856 M962	N855-K858 WeakPolarHBondContact O-CB 3.41Å; N855-K858 PolarHBondContact O-N 3.21Å; S856-K858 PolarHBondContact O-N 3.08Å; K858-M962 HydrophobicContact CB-CE 4.24Å
859	Y	82.8	Confident	77.1	Confident	69 Å²	69	74.1 Å²	74.1	27%	0.271	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	-0.4	-178.5	-58.3	-69.2	0	0	0	113.5	N855 G857 K861 K898	N855-Y859 HydrophobicContact CB-CD2 4.44Å; N855-Y859 HydrophobicContact CB-CE2 3.92Å; N855-Y859 WeakPolarHBondContact O-CD2 3.43Å; G857-Y859 VanDerWaalsContact C-N 3.28Å; G857-Y859 PolarHBondContact O-N 3.31Å; Y859-K861 PolarHBondContact O-N 3.29Å; Y859-K898 HydrophobicContact CD1-CD 3.63Å; Y859-K898 HydrophobicContact CD1-CG 4.19Å; Y859-K898 HydrophobicContact CD2-CB 3.8Å; Y859-K898 HydrophobicContact CD2-CD 3.92Å; Y859-K898 HydrophobicContact CD2-CG 4.13Å; Y859-K898 HydrophobicContact CE1-CD 3.89Å; Y859-K898 HydrophobicContact CE2-CB 4.5Å; Y859-K898 HydrophobicContact CE2-CD 4.15Å; Y859-K898 HydrophobicContact CG-CB 3.93Å; Y859-K898 HydrophobicContact CG-CD 3.64Å; Y859-K898 HydrophobicContact CG-CG 3.78Å
860	L	88.8	Confident	77.8	Confident	17 Å²	17	76.7 Å²	76.7	9%	0.089	36%	0.356	C	S	.	.			trans	-73	112.6	179.6	-178.2	59.1	0	0	0	109.1	G857 E896 E901 I904 I954	G857-L860 WeakPolarHBondContact O-CB 3.42Å; G857-L860 PolarHBondContact O-N 3.08Å; G857-L860 VanDerWaalsContact O-N 3.15Å; L860-E896 CarbonylContact C-O 3.36Å; L860-E896 VanDerWaalsContact CA-O 3.3Å; L860-E896 WeakPolarHBondContact CA-O 3.46Å; L860-E901 HydrophobicContact CB-CG 4.49Å; L860-E901 HydrophobicContact CD1-CG 4.31Å; L860-E901 HydrophobicContact CD2-CG 4.21Å; L860-I904 HydrophobicContact CD2-CG1 4.48Å; L860-I904 HydrophobicContact CD2-CG2 4.38Å; L860-I954 HydrophobicContact CD1-CG2 4.38Å; L860-I954 HydrophobicContact CD2-CB 4.4Å; L860-I954 HydrophobicContact CD2-CG2 3.43Å; L860-I954 VanDerWaalsContact CD2-CG2 3.43Å; L860-I954 HydrophobicContact CG-CB 4.46Å; L860-I954 HydrophobicContact CG-CD1 4.37Å; L860-I954 HydrophobicContact CG-CG2 3.79Å
861	K	91.7	Very high	78.4	Confident	115 Å²	115	76.6 Å²	76.6	50%	0.5	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	163.7	-176	66.6	-178.3	179.6	174.9	0	112.2	Y859 K863 I895 E896	Y859-K861 PolarHBondContact O-N 3.29Å; K861-K863 PolarHBondContact O-N 3.32Å; K861-I895 CarbonylContact O-C 3.56Å; K861-I895 WeakPolarHBondContact O-CA 3.15Å; K861-E896 WeakPolarHBondContact CE-OE2 3.33Å; K861-E896 HydrophobicContact CG-CB 4.5Å; K861-E896 PolarHBondContact N-O 2.96Å; K861-E896 IonicContact NZ-OE2 3.55Å; K861-E896 PolarHBondContact NZ-OE2 3.03Å; K861-E896 PolarHBondContact O-N 2.73Å
862	I	93.6	Very high	78.8	Confident	17 Å²	17	79 Å²	79	9%	0.087	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	107.1	167.3	-53.3	173.8	0	0	0	108.2	I865 I952 I954	I862-I865 HydrophobicContact CG2-CD1 3.97Å; I862-I865 HydrophobicContact CG2-CG1 3.54Å; I862-I952 HydrophobicContact CD1-CB 3.49Å; I862-I952 VanDerWaalsContact CD1-CB 3.49Å; I862-I952 HydrophobicContact CD1-CD1 4.1Å; I862-I952 HydrophobicContact CD1-CG1 4.42Å; I862-I952 HydrophobicContact CD1-CG2 3.48Å; I862-I952 VanDerWaalsContact CD1-CG2 3.48Å; I862-I954 HydrophobicContact CG1-CD1 3.8Å; I862-I954 HydrophobicContact CG1-CG1 4.41Å
863	K	94.4	Very high	79.3	Confident	89 Å²	89	80.6 Å²	80.6	39%	0.387	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	-47.7	177.2	-179.2	-179.4	172.5	-172.8	0	111	K861 I894 E896 E930	K861-K863 PolarHBondContact O-N 3.32Å; K863-I894 WeakPolarHBondContact CA-O 3.44Å; K863-I894 HydrophobicContact CB-CB 4.35Å; K863-I894 HydrophobicContact CB-CG2 4.2Å; K863-I894 WeakPolarHBondContact CB-O 3.37Å; K863-I894 HydrophobicContact CD-CG2 4.08Å; K863-I894 PolarHBondContact N-O 3.18Å; K863-E896 HydrophobicContact CB-CB 4Å; K863-E896 HydrophobicContact CD-CB 4.44Å; K863-E930 HydrophobicContact CD-CG 4.29Å; K863-E930 IonicContact NZ-OE1 3.74Å; K863-E930 PolarHBondContact NZ-OE1 3.31Å; K863-E930 IonicContact NZ-OE2 3.61Å; K863-E930 PolarHBondContact NZ-OE2 3.01Å
864	S	95.2	Very high	80.3	Confident	44 Å²	44	86.8 Å²	86.8	31%	0.308	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	151.6	-178.7	60.8	0	0	0	0	112.2	L893 I894	S864-L893 WeakPolarHBondContact O-CA 3.12Å; S864-I894 PolarHBondContact N-O 3.37Å; S864-I894 PolarHBondContact O-N 3.19Å; S864-I894 WeakPolarHBondContact OG-CB 3.36Å
865	I	95.6	Very high	81.2	Confident	17 Å²	17	82.5 Å²	82.5	9%	0.087	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	133.1	169.4	-55.7	-176.5	0	0	0	107.5	I862 Y891 E892 L893 I945 L948 K949 I952	I862-I865 HydrophobicContact CG2-CD1 3.97Å; I862-I865 HydrophobicContact CG2-CG1 3.54Å; I865-Y891 HydrophobicContact CG2-CD1 4.13Å; I865-E892 CarbonylContact C-O 3.6Å; I865-E892 VanDerWaalsContact CA-O 3.3Å; I865-E892 WeakPolarHBondContact CA-O 3.39Å; I865-L893 HydrophobicContact CD1-CD2 4.24Å; I865-L893 HydrophobicContact CG1-CD2 4.24Å; I865-L893 HydrophobicContact CG1-CG 4.11Å; I865-L893 HydrophobicContact CG2-CG 4.49Å; I865-I945 HydrophobicContact CB-CG2 3.94Å; I865-I945 HydrophobicContact CG2-CG2 4.21Å; I865-L948 HydrophobicContact CD1-CB 4.22Å; I865-K949 HydrophobicContact CD1-CB 3.89Å; I865-K949 HydrophobicContact CD1-CG 4.35Å; I865-I952 HydrophobicContact CD1-CD1 3.79Å
866	K	93.5	Very high	82.1	Confident	131 Å²	131	79.2 Å²	79.2	57%	0.57	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138	127.8	177.6	177.6	179.8	176.6	-178.6	0	110.2	Y891 E892	K866-Y891 CarbonylContact O-C 3.42Å; K866-Y891 WeakPolarHBondContact O-CA 3.26Å; K866-E892 PolarHBondContact N-O 2.92Å; K866-E892 PolarHBondContact O-N 3.23Å
867	Q	91.1	Very high	82.6	Confident	71 Å²	71	83.4 Å²	83.4	33%	0.332	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	131.7	171.6	-167.1	177.6	0.4	0	0	110.6	Y891	Q867-Y891 HydrophobicContact CB-CD1 3.78Å; Q867-Y891 HydrophobicContact CB-CE1 3.74Å; Q867-Y891 HydrophobicContact CG-CD1 4.09Å; Q867-Y891 HydrophobicContact CG-CE1 3.81Å
868	L	88.4	Confident	83.1	Confident	26 Å²	26	90.8 Å²	90.8	14%	0.136	43%	0.433	C	S	.	.	P	Polyproline II helix	trans	-79.5	125.2	170.3	-59.3	-175.7	0	0	0	108.7	F876 I879 I890 E892 Y934	L868-F876 HydrophobicContact CB-CD2 4.37Å; L868-F876 HydrophobicContact CB-CE2 4.22Å; L868-I879 HydrophobicContact CD1-CD1 4.12Å; L868-I879 HydrophobicContact CD1-CG2 4.41Å; L868-I890 HydrophobicContact CB-CB 4.42Å; L868-I890 HydrophobicContact CD1-CB 4.37Å; L868-I890 HydrophobicContact CD1-CG2 3.83Å; L868-I890 HydrophobicContact CG-CG2 4.47Å; L868-I890 PolarHBondContact N-O 3.46Å; L868-E892 HydrophobicContact CD2-CB 4.15Å; L868-Y934 HydrophobicContact CD1-CD1 3.98Å; L868-Y934 HydrophobicContact CD1-CE1 3.96Å
869	K	80.4	Confident	83.4	Confident	169 Å²	169	84.9 Å²	84.9	74%	0.735	41%	0.407	S	S	*	.	P	Polyproline II helix	trans	-81.9	139	175.5	-66.3	-174.9	177.7	-176.4	0	109.8	I871	K869-I871 HydrophobicContact CB-CG1 4.36Å; K869-I871 PolarHBondContact O-N 3.16Å
870	S	68.5	Low	83.4	Confident	86 Å²	86	83 Å²	83	60%	0.601	40%	0.401	S	S	*	.			trans	-66.8	85.3	168.4	-175.9	0	0	0	0	108.8
871	I	59.8	Low	83.3	Confident	117 Å²	117	89 Å²	89	60%	0.6	43%	0.426	S	S	*	.			trans	-91.4	143.2	163.6	-57	171.9	0	0	0	104.6	K869 N873	K869-I871 HydrophobicContact CB-CG1 4.36Å; K869-I871 PolarHBondContact O-N 3.16Å; I871-N873 HydrophobicContact CB-CB 4.41Å; I871-N873 HydrophobicContact CG2-CB 4.36Å; I871-N873 PolarHBondContact O-N 3.12Å
872	K	61.2	Low	83.1	Confident	220 Å²	220	87.3 Å²	87.3	96%	0.957	42%	0.421	S	S	*	.	S	Bend	trans	-61.5	61.6	171.5	-71.5	-175.9	177.5	179.9	0	111.3
873	N	70	Confident	83	Confident	84 Å²	84	86.5 Å²	86.5	45%	0.449	42%	0.417	S	S	.	.			trans	-119.5	127.4	-175.4	-173.8	-18.1	0	0	0	107.2	I871 F875 F876 L877	I871-N873 HydrophobicContact CB-CB 4.41Å; I871-N873 HydrophobicContact CG2-CB 4.36Å; I871-N873 PolarHBondContact O-N 3.12Å; N873-F875 PolarHBondContact O-N 3.06Å; N873-F875 PolarHBondContact OD1-N 2.99Å; N873-F875 VanDerWaalsContact OD1-N 3.09Å; N873-F876 PolarHBondContact O-N 3.39Å; N873-L877 PolarHBondContact O-N 3.32Å
874	N	79.7	Confident	82.8	Confident	137 Å²	137	82.5 Å²	82.5	73%	0.733	40%	0.4	S	S	*	.	H	α-helix	trans	-51.4	-28.2	176.7	-74.3	-22.9	0	0	0	112.7	K878	N874-K878 WeakPolarHBondContact O-CB 3.42Å; N874-K878 PolarHBondContact O-N 3.05Å
875	F	82.3	Confident	82.5	Confident	112 Å²	112	81.3 Å²	81.3	49%	0.491	39%	0.389	S	S	.	.	H	α-helix	trans	-62.8	-45.8	174.6	-175.4	-109.4	0	0	0	113.2	N873 L877 K878 I879	N873-F875 PolarHBondContact O-N 3.06Å; N873-F875 PolarHBondContact OD1-N 2.99Å; N873-F875 VanDerWaalsContact OD1-N 3.09Å; F875-L877 PolarHBondContact O-N 2.72Å; F875-K878 PolarHBondContact O-N 3.36Å; F875-I879 HydrophobicContact CD1-CD1 3.78Å; F875-I879 HydrophobicContact CE1-CD1 3.18Å; F875-I879 HydrophobicContact CE1-CG1 4.24Å; F875-I879 HydrophobicContact CE2-CD1 4Å; F875-I879 HydrophobicContact CE2-CG1 4.38Å; F875-I879 HydrophobicContact CG-CD1 4.42Å; F875-I879 HydrophobicContact CZ-CD1 3.33Å; F875-I879 HydrophobicContact CZ-CG1 4.18Å; F875-I879 WeakPolarHBondContact O-CG1 3.28Å; F875-I879 PolarHBondContact O-N 3.37Å
876	F	82.5	Confident	81.9	Confident	12 Å²	12	86.2 Å²	86.2	5%	0.053	42%	0.415	C	S	.	.	H	α-helix	trans	-63.7	-43.8	179.2	-175.8	-91.5	0	0	0	110.8	L868 N873 K878 I879 Q880 I890	L868-F876 HydrophobicContact CB-CD2 4.37Å; L868-F876 HydrophobicContact CB-CE2 4.22Å; N873-F876 PolarHBondContact O-N 3.39Å; F876-K878 VanDerWaalsContact C-N 3.31Å; F876-K878 PolarHBondContact O-N 3Å; F876-I879 PolarHBondContact O-N 3.36Å; F876-Q880 VanDerWaalsContact O-CB 3.29Å; F876-Q880 WeakPolarHBondContact O-CB 3.28Å; F876-Q880 PolarHBondContact O-N 2.93Å; F876-I890 HydrophobicContact CE2-CD1 3.86Å; F876-I890 HydrophobicContact CE2-CG1 4.43Å; F876-I890 HydrophobicContact CZ-CD1 3.84Å; F876-I890 HydrophobicContact CZ-CG1 4.44Å
877	L	82.6	Confident	81.5	Confident	88 Å²	88	80.4 Å²	80.4	46%	0.461	39%	0.391	S	S	.	.	H	α-helix	trans	-61.1	-39.4	176	-69.4	172	0	0	0	112.3	N873 F875 K881	N873-L877 PolarHBondContact O-N 3.32Å; F875-L877 PolarHBondContact O-N 2.72Å; L877-K881 WeakPolarHBondContact O-CG 3.49Å; L877-K881 PolarHBondContact O-N 2.86Å
878	K	84.8	Confident	81.1	Confident	156 Å²	156	81.5 Å²	81.5	68%	0.678	40%	0.399	S	S	*	.	H	α-helix	trans	-64.7	-45.6	175.8	-175.1	176.3	179.6	177.5	0	111.6	N874 F875 F876 K881	N874-K878 WeakPolarHBondContact O-CB 3.42Å; N874-K878 PolarHBondContact O-N 3.05Å; F875-K878 PolarHBondContact O-N 3.36Å; F876-K878 VanDerWaalsContact C-N 3.31Å; F876-K878 PolarHBondContact O-N 3Å; K878-K881 PolarHBondContact O-N 2.96Å
879	I	84.4	Confident	81.2	Confident	6 Å²	6	81.6 Å²	81.6	3%	0.031	40%	0.398	C	S	.	.	H	α-helix	trans	-62.7	-47.4	176.6	-73.1	-175.3	0	0	0	110.7	L868 F875 F876 K881 M882 I890 Y934 Y936	L868-I879 HydrophobicContact CD1-CD1 4.12Å; L868-I879 HydrophobicContact CD1-CG2 4.41Å; F875-I879 HydrophobicContact CD1-CD1 3.78Å; F875-I879 HydrophobicContact CE1-CD1 3.18Å; F875-I879 HydrophobicContact CE1-CG1 4.24Å; F875-I879 HydrophobicContact CE2-CD1 4Å; F875-I879 HydrophobicContact CE2-CG1 4.38Å; F875-I879 HydrophobicContact CG-CD1 4.42Å; F875-I879 HydrophobicContact CZ-CD1 3.33Å; F875-I879 HydrophobicContact CZ-CG1 4.18Å; F875-I879 WeakPolarHBondContact O-CG1 3.28Å; F875-I879 PolarHBondContact O-N 3.37Å; F876-I879 PolarHBondContact O-N 3.36Å; I879-K881 PolarHBondContact O-N 2.7Å; I879-K881 VanDerWaalsContact O-N 3.15Å; I879-M882 VanDerWaalsContact O-CB 3.25Å; I879-M882 WeakPolarHBondContact O-CB 3.45Å; I879-M882 WeakPolarHBondContact O-CG 3.17Å; I879-M882 PolarHBondContact O-N 2.68Å; I879-I890 HydrophobicContact CG2-CD1 4.05Å; I879-I890 HydrophobicContact CG2-CG2 4Å; I879-Y934 HydrophobicContact CD1-CE1 4.11Å; I879-Y934 HydrophobicContact CD1-CE2 4.49Å; I879-Y936 HydrophobicContact CG2-CE1 4.05Å; I879-Y936 WeakPolarHBondContact CG2-OH 3.45Å; I879-Y936 WeakPolarHBondContact O-CE1 3.43Å; I879-Y936 PolarHBondContact O-OH 3Å; I879-Y936 VanDerWaalsContact O-OH 3.04Å
880	Q	83.6	Confident	81.8	Confident	29 Å²	29	73.6 Å²	73.6	14%	0.136	36%	0.363	C	S	.	.	H	α-helix	trans	-56.8	-34.1	-179.8	-173.5	177.2	51.4	0	0	112.4	F876 M882 L886 T887 N888 I890	F876-Q880 VanDerWaalsContact O-CB 3.29Å; F876-Q880 WeakPolarHBondContact O-CB 3.28Å; F876-Q880 PolarHBondContact O-N 2.93Å; Q880-M882 VanDerWaalsContact C-N 3.26Å; Q880-M882 PolarHBondContact O-N 3.38Å; Q880-L886 HydrophobicContact CG-CD2 4.42Å; Q880-T887 PolarHBondContact NE2-O 3.15Å; Q880-N888 PolarHBondContact NE2-OD1 3.05Å; Q880-N888 VanDerWaalsContact NE2-OD1 3.13Å; Q880-I890 HydrophobicContact CB-CD1 4.12Å
881	K	85.4	Confident	83	Confident	143 Å²	143	69.5 Å²	69.5	62%	0.622	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-14.6	177.4	-73.2	178.5	-179.1	-174.6	0	114.2	R411 L877 K878 I879 A883	R411-K881 PolarHBondContact NH2-O 2.91Å; L877-K881 WeakPolarHBondContact O-CG 3.49Å; L877-K881 PolarHBondContact O-N 2.86Å; K878-K881 PolarHBondContact O-N 2.96Å; I879-K881 PolarHBondContact O-N 2.7Å; I879-K881 VanDerWaalsContact O-N 3.15Å; K881-A883 VanDerWaalsContact C-N 3.32Å; K881-A883 PolarHBondContact O-N 2.84Å
882	M	87.8	Confident	84.7	Confident	79 Å²	79	65.2 Å²	65.2	39%	0.389	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-21.4	-178.4	-61.1	179.9	67.3	0	0	113.8	I879 Q880 W917	I879-M882 VanDerWaalsContact O-CB 3.25Å; I879-M882 WeakPolarHBondContact O-CB 3.45Å; I879-M882 WeakPolarHBondContact O-CG 3.17Å; I879-M882 PolarHBondContact O-N 2.68Å; Q880-M882 VanDerWaalsContact C-N 3.26Å; Q880-M882 PolarHBondContact O-N 3.38Å; M882-W917 WeakPolarHBondContact O-CH2 3.28Å
883	A	91.4	Very high	86.3	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.266	C	S	.	.	S	Bend	trans	-86.6	154.1	-179.7	0	0	0	0	0	111.9	R411 K881 F885 W917 Y936	R411-A883 PolarHBondContact NE-O 2.81Å; R411-A883 PolarHBondContact NH2-O 2.84Å; R411-A883 VanDerWaalsContact NH2-O 3.15Å; K881-A883 VanDerWaalsContact C-N 3.32Å; K881-A883 PolarHBondContact O-N 2.84Å; A883-F885 WeakPolarHBondContact CB-O 3.07Å; A883-F885 PolarHBondContact O-N 3.19Å; A883-F885 VanDerWaalsContact O-N 3.17Å; A883-W917 HydrophobicContact CB-CE3 3.84Å; A883-W917 HydrophobicContact CB-CZ3 4.08Å; A883-Y936 HydrophobicContact CB-CD1 3.54Å; A883-Y936 HydrophobicContact CB-CD2 4.38Å; A883-Y936 HydrophobicContact CB-CE1 3.91Å; A883-Y936 HydrophobicContact CB-CG 3.8Å
884	P	90.6	Very high	87.6	Confident	5 Å²	5	52 Å²	52	3%	0.032	25%	0.251	C	S	.	.	S	Bend	trans	-66.1	-9.6	173.8	-21.8	33.6	0	0	0	115	R408 R411 S412 L415 W734 W917	R408-P884 HydrophobicContact CG-CB 4.42Å; R411-P884 WeakPolarHBondContact CD-O 3.07Å; S412-P884 VanDerWaalsContact OG-CB 3.28Å; S412-P884 WeakPolarHBondContact OG-CB 3.48Å; L415-P884 HydrophobicContact CD1-CB 4.37Å; L415-P884 HydrophobicContact CD1-CG 4.11Å; W734-P884 HydrophobicContact CZ2-CG 3.84Å; P884-W917 HydrophobicContact CG-CD2 4.47Å; P884-W917 HydrophobicContact CG-CG 4.35Å
885	F	88	Confident	88.3	Confident	19 Å²	19	45.4 Å²	45.4	8%	0.083	22%	0.217	C	C	.	.	S	Bend	trans	-138.9	154.1	178.8	50.9	-94.6	0	0	0	110.1	A883 T887 W917	A883-F885 WeakPolarHBondContact CB-O 3.07Å; A883-F885 PolarHBondContact O-N 3.19Å; A883-F885 VanDerWaalsContact O-N 3.17Å; F885-T887 HydrophobicContact CD2-CG2 4.2Å; F885-T887 HydrophobicContact CE2-CG2 3.98Å; F885-W917 HydrophobicContact CE1-CB 3.72Å; F885-W917 HydrophobicContact CZ-CB 3.8Å
886	L	83	Confident	88.9	Confident	121 Å²	121	41.2 Å²	41.2	63%	0.634	20%	0.199	S	C	*	.			trans	-78.6	134	175	-63.9	176.7	0	0	0	109.7	Q880	Q880-L886 HydrophobicContact CG-CD2 4.42Å
887	T	86.2	Confident	89.2	Confident	8 Å²	8	40.7 Å²	40.7	5%	0.049	20%	0.196	C	C	.	.			trans	-152.5	150.4	175.1	179	0	0	0	0	111.6	Q880 F885 F889 I890 Y936 L937	Q880-T887 PolarHBondContact NE2-O 3.15Å; F885-T887 HydrophobicContact CD2-CG2 4.2Å; F885-T887 HydrophobicContact CE2-CG2 3.98Å; T887-F889 PolarHBondContact OG1-N 3.4Å; T887-I890 HydrophobicContact CG2-CG1 4.2Å; T887-Y936 HydrophobicContact CG2-CD1 3.84Å; T887-Y936 HydrophobicContact CG2-CG 4.36Å; T887-L937 WeakPolarHBondContact CB-O 3.3Å; T887-L937 PolarHBondContact OG1-O 3.35Å
888	N	83.5	Confident	89.4	Confident	94 Å²	94	42.7 Å²	42.7	50%	0.503	20%	0.201	S	C	.	.	S	Bend	trans	-96.5	-7.2	169.2	-65.5	-34.1	0	0	0	112.5	Q880 I890	Q880-N888 PolarHBondContact NE2-OD1 3.05Å; Q880-N888 VanDerWaalsContact NE2-OD1 3.13Å; N888-I890 PolarHBondContact O-N 3.18Å
889	F	89.9	Confident	89.2	Confident	29 Å²	29	35.6 Å²	35.6	13%	0.127	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	76.2	-177.1	-57.6	-76.1	0	0	0	110.1	T887 Y891 L937 G939 T942	T887-F889 PolarHBondContact OG1-N 3.4Å; F889-Y891 HydrophobicContact CB-CE2 4.12Å; F889-L937 HydrophobicContact CB-CB 4.02Å; F889-L937 PolarHBondContact O-N 2.91Å; F889-G939 WeakPolarHBondContact CD2-O 3.38Å; F889-G939 WeakPolarHBondContact CE2-O 3.4Å; F889-T942 HydrophobicContact CD1-CG2 4.29Å; F889-T942 HydrophobicContact CE1-CG2 3.54Å; F889-T942 HydrophobicContact CZ-CG2 4.39Å
890	I	92.5	Very high	89.2	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	127	-179.8	-47.7	176.1	0	0	0	108.7	L868 F876 I879 Q880 T887 N888 L935 Y936	L868-I890 HydrophobicContact CB-CB 4.42Å; L868-I890 HydrophobicContact CD1-CB 4.37Å; L868-I890 HydrophobicContact CD1-CG2 3.83Å; L868-I890 HydrophobicContact CG-CG2 4.47Å; L868-I890 PolarHBondContact N-O 3.46Å; F876-I890 HydrophobicContact CE2-CD1 3.86Å; F876-I890 HydrophobicContact CE2-CG1 4.43Å; F876-I890 HydrophobicContact CZ-CD1 3.84Å; F876-I890 HydrophobicContact CZ-CG1 4.44Å; I879-I890 HydrophobicContact CG2-CD1 4.05Å; I879-I890 HydrophobicContact CG2-CG2 4Å; Q880-I890 HydrophobicContact CB-CD1 4.12Å; T887-I890 HydrophobicContact CG2-CG1 4.2Å; N888-I890 PolarHBondContact O-N 3.18Å; I890-L935 CarbonylContact C-O 3.57Å; I890-L935 WeakPolarHBondContact CA-O 3.3Å; I890-Y936 HydrophobicContact CB-CD1 4.5Å; I890-Y936 HydrophobicContact CD1-CD1 4.03Å; I890-Y936 HydrophobicContact CD1-CE1 3.79Å; I890-Y936 HydrophobicContact CG1-CD1 3.79Å; I890-Y936 HydrophobicContact CG1-CE1 4Å; I890-Y936 HydrophobicContact CG2-CD1 4.09Å; I890-Y936 HydrophobicContact CG2-CE1 3.88Å
891	Y	93.9	Very high	89.2	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	136.6	178.6	-56.6	-100.4	0	0	0	109.4	I865 K866 Q867 F889 Y934 L935 L937 L948	I865-Y891 HydrophobicContact CG2-CD1 4.13Å; K866-Y891 CarbonylContact O-C 3.42Å; K866-Y891 WeakPolarHBondContact O-CA 3.26Å; Q867-Y891 HydrophobicContact CB-CD1 3.78Å; Q867-Y891 HydrophobicContact CB-CE1 3.74Å; Q867-Y891 HydrophobicContact CG-CD1 4.09Å; Q867-Y891 HydrophobicContact CG-CE1 3.81Å; F889-Y891 HydrophobicContact CB-CE2 4.12Å; Y891-Y934 CarbonylContact O-C 3.59Å; Y891-Y934 VanDerWaalsContact O-CA 3.26Å; Y891-Y934 WeakPolarHBondContact O-CA 3.48Å; Y891-L935 HydrophobicContact CD2-CD2 4.43Å; Y891-L935 HydrophobicContact CD2-CG 4.47Å; Y891-L935 PolarHBondContact N-O 3.46Å; Y891-L935 PolarHBondContact O-N 2.98Å; Y891-L937 HydrophobicContact CD2-CD1 4.27Å; Y891-L937 HydrophobicContact CD2-CG 4.29Å; Y891-L937 HydrophobicContact CE2-CD1 3.52Å; Y891-L937 HydrophobicContact CE2-CG 3.9Å; Y891-L948 HydrophobicContact CD1-CD1 3.78Å; Y891-L948 HydrophobicContact CD2-CD1 4.2Å; Y891-L948 HydrophobicContact CE1-CD1 3.58Å; Y891-L948 HydrophobicContact CE2-CD1 4.04Å; Y891-L948 HydrophobicContact CG-CD1 4.09Å
892	E	94.9	Very high	89.2	Confident	27 Å²	27	29.6 Å²	29.6	13%	0.126	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	127.8	167	175.7	173.2	101.2	0	0	109.5	I865 K866 L868 R932 Y934	I865-E892 CarbonylContact C-O 3.6Å; I865-E892 VanDerWaalsContact CA-O 3.3Å; I865-E892 WeakPolarHBondContact CA-O 3.39Å; K866-E892 PolarHBondContact N-O 2.92Å; K866-E892 PolarHBondContact O-N 3.23Å; L868-E892 HydrophobicContact CD2-CB 4.15Å; E892-R932 HydrophobicContact CG-CG 4.03Å; E892-R932 IonicContact OE1-CZ 3.35Å; E892-R932 IonicContact OE1-NH1 3.9Å; E892-R932 PolarHBondContact OE1-NH1 3.06Å; E892-R932 WeakPolarHBondContact OE2-CD 3.48Å; E892-R932 IonicContact OE2-CZ 3.83Å; E892-R932 IonicContact OE2-NE 3.61Å; E892-R932 IonicContact OE2-NH1 3.72Å; E892-R932 PolarHBondContact OE2-NH1 3.5Å; E892-Y934 HydrophobicContact CB-CD1 4.15Å; E892-Y934 HydrophobicContact CB-CE1 4.09Å; E892-Y934 HydrophobicContact CG-CE1 4.18Å
893	L	95.9	Very high	89.3	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	138.5	176	-65.6	86.9	0	0	0	109.3	S864 I865 L906 F918 R932 I933 L935 I952	S864-L893 WeakPolarHBondContact O-CA 3.12Å; I865-L893 HydrophobicContact CD1-CD2 4.24Å; I865-L893 HydrophobicContact CG1-CD2 4.24Å; I865-L893 HydrophobicContact CG1-CG 4.11Å; I865-L893 HydrophobicContact CG2-CG 4.49Å; L893-L906 HydrophobicContact CD2-CD2 4.48Å; L893-F918 HydrophobicContact CD2-CE1 4.4Å; L893-R932 CarbonylContact O-C 3.56Å; L893-R932 WeakPolarHBondContact O-CA 3.46Å; L893-I933 HydrophobicContact CB-CB 4.48Å; L893-I933 PolarHBondContact N-O 2.59Å; L893-I933 PolarHBondContact O-N 2.75Å; L893-L935 HydrophobicContact CD1-CB 3.29Å; L893-L935 HydrophobicContact CD1-CD2 4.29Å; L893-L935 HydrophobicContact CD1-CG 4.44Å; L893-I952 HydrophobicContact CD2-CD1 3.69Å
894	I	96.4	Very high	89.3	Confident	26 Å²	26	26.9 Å²	26.9	13%	0.133	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	117.1	166	-56.6	-179.5	0	0	0	107	K863 S864 E930 K931	K863-I894 WeakPolarHBondContact CA-O 3.44Å; K863-I894 HydrophobicContact CB-CB 4.35Å; K863-I894 HydrophobicContact CB-CG2 4.2Å; K863-I894 WeakPolarHBondContact CB-O 3.37Å; K863-I894 HydrophobicContact CD-CG2 4.08Å; K863-I894 PolarHBondContact N-O 3.18Å; S864-I894 PolarHBondContact N-O 3.37Å; S864-I894 PolarHBondContact O-N 3.19Å; S864-I894 WeakPolarHBondContact OG-CB 3.36Å; I894-E930 HydrophobicContact CG2-CB 3.95Å; I894-E930 HydrophobicContact CG2-CG 4.08Å; I894-K931 WeakPolarHBondContact CA-O 3.5Å
895	I	95	Very high	89.5	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	144.1	167.4	60.5	168.7	0	0	0	109.3	K861 I904 L906 F923 M926 E930 K931 I933 I954	K861-I895 CarbonylContact O-C 3.56Å; K861-I895 WeakPolarHBondContact O-CA 3.15Å; I895-I904 HydrophobicContact CD1-CG2 4.25Å; I895-L906 HydrophobicContact CG2-CD2 4.12Å; I895-F923 HydrophobicContact CD1-CE1 4.41Å; I895-F923 HydrophobicContact CD1-CZ 3.86Å; I895-M926 HydrophobicContact CD1-SD 3.99Å; I895-M926 HydrophobicContact CG1-SD 4.25Å; I895-E930 CarbonylContact O-C 3.6Å; I895-E930 VanDerWaalsContact O-CA 3.26Å; I895-E930 WeakPolarHBondContact O-CA 3.36Å; I895-K931 HydrophobicContact CD1-CB 4.12Å; I895-K931 HydrophobicContact CG1-CB 3.8Å; I895-K931 WeakPolarHBondContact CG1-O 3.32Å; I895-K931 PolarHBondContact N-O 3.09Å; I895-K931 PolarHBondContact O-N 3.05Å; I895-I933 HydrophobicContact CD1-CD1 3.84Å; I895-I933 HydrophobicContact CG1-CD1 4.22Å; I895-I933 HydrophobicContact CG2-CD1 4.45Å; I895-I954 HydrophobicContact CG2-CD1 3.98Å
896	E	94.2	Very high	89.9	Confident	24 Å²	24	26.3 Å²	26.3	11%	0.112	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	141.3	179.8	-179	-175.5	-153.9	0	0	109.7	L860 K861 K863 K929 E930	L860-E896 CarbonylContact C-O 3.36Å; L860-E896 VanDerWaalsContact CA-O 3.3Å; L860-E896 WeakPolarHBondContact CA-O 3.46Å; K861-E896 WeakPolarHBondContact CE-OE2 3.33Å; K861-E896 HydrophobicContact CG-CB 4.5Å; K861-E896 PolarHBondContact N-O 2.96Å; K861-E896 IonicContact NZ-OE2 3.55Å; K861-E896 PolarHBondContact NZ-OE2 3.03Å; K861-E896 PolarHBondContact O-N 2.73Å; K863-E896 HydrophobicContact CB-CB 4Å; K863-E896 HydrophobicContact CD-CB 4.44Å; E896-K929 VanDerWaalsContact CA-O 3.29Å; E896-K929 WeakPolarHBondContact CA-O 3.46Å; E896-K929 HydrophobicContact CG-CG 4.33Å; E896-K929 WeakPolarHBondContact OE1-CE 3.36Å; E896-K929 IonicContact OE1-NZ 3.61Å; E896-K929 PolarHBondContact OE1-NZ 3.27Å; E896-E930 HydrophobicContact CB-CG 4.24Å; E896-E930 HydrophobicContact CG-CG 4.24Å
897	S	90.2	Very high	90.4	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.102	C	C	.	.			trans	-141.5	159.3	160.5	-170.3	0	0	0	0	110	S899 E901 K929	S897-S899 WeakPolarHBondContact CB-O 3.39Å; S897-S899 PolarHBondContact OG-N 3.49Å; S897-S899 PolarHBondContact OG-O 2.95Å; S897-E901 PolarHBondContact OG-OE1 2.64Å; S897-K929 PolarHBondContact N-O 3.22Å; S897-K929 WeakPolarHBondContact O-CG 3.25Å
898	K	86.3	Confident	90.8	Very high	130 Å²	130	20.5 Å²	20.5	57%	0.565	10%	0.1	S	C	*	.	S	Bend	trans	-90.7	-9.8	176.5	-65.6	-173.5	-174.5	178.2	0	113.4	Y859	Y859-K898 HydrophobicContact CD1-CD 3.63Å; Y859-K898 HydrophobicContact CD1-CG 4.19Å; Y859-K898 HydrophobicContact CD2-CB 3.8Å; Y859-K898 HydrophobicContact CD2-CD 3.92Å; Y859-K898 HydrophobicContact CD2-CG 4.13Å; Y859-K898 HydrophobicContact CE1-CD 3.89Å; Y859-K898 HydrophobicContact CE2-CB 4.5Å; Y859-K898 HydrophobicContact CE2-CD 4.15Å; Y859-K898 HydrophobicContact CG-CB 3.93Å; Y859-K898 HydrophobicContact CG-CD 3.64Å; Y859-K898 HydrophobicContact CG-CG 3.78Å
899	S	80.3	Confident	91.4	Very high	8 Å²	8	16.3 Å²	16.3	6%	0.056	8%	0.077	C	C	.	.	S	Bend	trans	-137.9	158.5	177.1	49.2	0	0	0	0	110.2	F803 S856 S897 E901	F803-S899 VanDerWaalsContact CZ-O 3.28Å; F803-S899 WeakPolarHBondContact CZ-O 3.31Å; S856-S899 PolarHBondContact OG-OG 3.49Å; S897-S899 WeakPolarHBondContact CB-O 3.39Å; S897-S899 PolarHBondContact OG-N 3.49Å; S897-S899 PolarHBondContact OG-O 2.95Å; S899-E901 PolarHBondContact O-N 3.4Å
900	P	83.2	Confident	91.7	Very high	7 Å²	7	15.1 Å²	15.1	5%	0.045	7%	0.072	C	C	.	.			trans	-51.3	138.7	167.5	-27.6	35.6	0	0	0	112.3	S802 F803 L925	S802-P900 WeakPolarHBondContact O-CG 3.44Å; F803-P900 HydrophobicContact CD1-CG 3.86Å; F803-P900 HydrophobicContact CE1-CB 4.36Å; F803-P900 HydrophobicContact CE1-CG 3.96Å; P900-L925 HydrophobicContact CB-CD1 4.24Å
901	E	85.6	Confident	91.7	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	148.7	176.5	-60.2	-60.8	166.5	0	0	109.4	G857 L860 S897 S899 I904 L925 M926	G857-E901 VanDerWaalsContact N-CD 3.3Å; G857-E901 PolarHBondContact N-OE1 3.25Å; G857-E901 PolarHBondContact N-OE2 2.69Å; G857-E901 VanDerWaalsContact N-OE2 3.15Å; L860-E901 HydrophobicContact CB-CG 4.49Å; L860-E901 HydrophobicContact CD1-CG 4.31Å; L860-E901 HydrophobicContact CD2-CG 4.21Å; S897-E901 PolarHBondContact OG-OE1 2.64Å; S899-E901 PolarHBondContact O-N 3.4Å; E901-I904 HydrophobicContact CB-CD1 3.66Å; E901-I904 HydrophobicContact CB-CG1 3.8Å; E901-I904 VanDerWaalsContact O-CD1 3.23Å; E901-I904 WeakPolarHBondContact O-CD1 3.33Å; E901-L925 WeakPolarHBondContact O-CA 3.46Å; E901-M926 HydrophobicContact CB-CB 4.42Å; E901-M926 HydrophobicContact CG-CE 4.42Å; E901-M926 PolarHBondContact O-N 3.17Å
902	L	85	Confident	91.7	Very high	45 Å²	45	22.2 Å²	22.2	24%	0.236	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	145	177.2	-64.8	-173	0	0	0	112.6	W852 I904 H924 L925 S956 L957	W852-L902 HydrophobicContact CH2-CB 4.24Å; W852-L902 HydrophobicContact CH2-CD1 3.13Å; W852-L902 HydrophobicContact CH2-CG 3.37Å; W852-L902 HydrophobicContact CZ2-CB 4.28Å; W852-L902 HydrophobicContact CZ2-CD1 3.97Å; W852-L902 HydrophobicContact CZ2-CG 3.69Å; W852-L902 HydrophobicContact CZ3-CD1 3.63Å; W852-L902 HydrophobicContact CZ3-CG 4.3Å; L902-I904 PolarHBondContact O-N 3.08Å; L902-H924 CarbonylContact C-O 3.58Å; L902-H924 WeakPolarHBondContact CA-O 3.47Å; L902-H924 WeakPolarHBondContact CD2-O 3.45Å; L902-L925 HydrophobicContact CD2-CB 4.16Å; L902-L925 HydrophobicContact CD2-CD1 3.65Å; L902-L925 HydrophobicContact CD2-CG 4.49Å; L902-S956 WeakPolarHBondContact O-CB 3.39Å; L902-L957 PolarHBondContact O-N 3.47Å
903	F	89.2	Confident	91.5	Very high	21 Å²	21	24.5 Å²	24.5	9%	0.092	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	51.9	53.1	177.2	-59.3	-72	0	0	0	112.5	Y669 L673 L676 M677 H905 F923 H924 L957	Y669-F903 WeakPolarHBondContact CE2-O 3.38Å; Y669-F903 VanDerWaalsContact OH-CB 3.31Å; Y669-F903 WeakPolarHBondContact OH-CB 3.48Å; Y669-F903 PolarHBondContact OH-O 2.78Å; L673-F903 HydrophobicContact CD1-CB 4.04Å; L673-F903 HydrophobicContact CD1-CD1 3.28Å; L673-F903 HydrophobicContact CD1-CD2 4.16Å; L673-F903 HydrophobicContact CD1-CE1 3.63Å; L673-F903 HydrophobicContact CD1-CE2 4.45Å; L673-F903 HydrophobicContact CD1-CG 3.56Å; L673-F903 HydrophobicContact CD1-CZ 4.2Å; L673-F903 HydrophobicContact CD2-CB 4.21Å; L673-F903 HydrophobicContact CD2-CD2 4.24Å; L673-F903 HydrophobicContact CD2-CG 4.14Å; L676-F903 HydrophobicContact CD2-CE1 4.48Å; M677-F903 HydrophobicContact SD-CE1 3.81Å; M677-F903 HydrophobicContact SD-CZ 3.72Å; F903-H905 PolarHBondContact O-N 2.91Å; F903-F923 CarbonylContact C-O 3.59Å; F903-F923 WeakPolarHBondContact CA-O 3.38Å; F903-F923 PolarHBondContact N-O 2.95Å; F903-H924 HydrophobicContact CD1-CB 4.49Å; F903-H924 HydrophobicContact CE1-CB 4.25Å; F903-H924 PolarHBondContact N-O 3.49Å; F903-L957 HydrophobicContact CD2-CD2 4.3Å
904	I	92.1	Very high	91.3	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	122.6	-178.3	-57.4	74.6	0	0	0	108.9	L860 I895 E901 L902 L906 G922 F923 M926 I954	L860-I904 HydrophobicContact CD2-CG1 4.48Å; L860-I904 HydrophobicContact CD2-CG2 4.38Å; I895-I904 HydrophobicContact CD1-CG2 4.25Å; E901-I904 HydrophobicContact CB-CD1 3.66Å; E901-I904 HydrophobicContact CB-CG1 3.8Å; E901-I904 VanDerWaalsContact O-CD1 3.23Å; E901-I904 WeakPolarHBondContact O-CD1 3.33Å; L902-I904 PolarHBondContact O-N 3.08Å; I904-L906 HydrophobicContact CG2-CD1 4.2Å; I904-G922 CarbonylContact O-C 3.28Å; I904-G922 WeakPolarHBondContact O-CA 3.01Å; I904-G922 PolarHBondContact O-N 3.23Å; I904-F923 HydrophobicContact CB-CD2 4.49Å; I904-F923 HydrophobicContact CB-CE1 3.9Å; I904-F923 HydrophobicContact CB-CE2 3.89Å; I904-F923 HydrophobicContact CB-CZ 3.54Å; I904-F923 HydrophobicContact CD1-CD2 4.03Å; I904-F923 HydrophobicContact CD1-CE2 3.47Å; I904-F923 VanDerWaalsContact CD1-CE2 3.47Å; I904-F923 HydrophobicContact CD1-CZ 4Å; I904-F923 HydrophobicContact CG1-CE2 3.92Å; I904-F923 HydrophobicContact CG1-CZ 3.9Å; I904-F923 HydrophobicContact CG2-CE1 4.17Å; I904-F923 HydrophobicContact CG2-CZ 3.95Å; I904-F923 PolarHBondContact N-O 3.28Å; I904-F923 PolarHBondContact O-N 2.78Å; I904-M926 HydrophobicContact CD1-CB 3.93Å; I904-I954 HydrophobicContact CG2-CG2 3.64Å
905	H	94.4	Very high	91.1	Very high	13 Å²	13	24.4 Å²	24.4	6%	0.06	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	122.5	176.5	-179.2	-127.8	0	0	0	111	Y669 L736 F903 N921 I954 E955	Y669-H905 HydrophobicContact CD2-CB 3.65Å; Y669-H905 AromaticContact CD2-ND1 3.98Å; Y669-H905 HydrophobicContact CE2-CB 3.66Å; L736-H905 HydrophobicContact CD1-CB 4.25Å; L736-H905 WeakPolarHBondContact CD1-CD2 3.05Å; L736-H905 VanDerWaalsContact CD1-CE1 3.48Å; L736-H905 WeakPolarHBondContact CD1-CE1 3.43Å; L736-H905 VanDerWaalsContact CD1-CG 3.49Å; L736-H905 VanDerWaalsContact CD1-NE2 3.33Å; L736-H905 WeakPolarHBondContact CD1-NE2 3.41Å; L736-H905 HydrophobicContact CD2-CB 4.49Å; L736-H905 HydrophobicContact CG-CB 4.48Å; F903-H905 PolarHBondContact O-N 2.91Å; H905-N921 WeakPolarHBondContact CA-OD1 3.43Å; H905-N921 PolarHBondContact CD2-ND2 3.08Å; H905-N921 VanDerWaalsContact CD2-ND2 3.3Å; H905-N921 PolarHBondContact CD2-OD1 3.43Å; H905-N921 PolarHBondContact NE2-ND2 3.37Å; H905-I954 WeakPolarHBondContact O-CA 3.35Å; H905-E955 PolarHBondContact N-O 2.75Å; H905-E955 PolarHBondContact O-N 2.83Å
906	L	95.3	Very high	91	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	134.3	171.7	-64.4	87.2	0	0	0	109.1	L893 I895 I904 F918 N921 I933 I952 W953 I954	L893-L906 HydrophobicContact CD2-CD2 4.48Å; I895-L906 HydrophobicContact CG2-CD2 4.12Å; I904-L906 HydrophobicContact CG2-CD1 4.2Å; L906-F918 HydrophobicContact CB-CD2 4.29Å; L906-F918 HydrophobicContact CB-CE1 4.1Å; L906-F918 HydrophobicContact CB-CE2 3.82Å; L906-F918 HydrophobicContact CB-CZ 3.72Å; L906-F918 HydrophobicContact CD2-CE1 4.03Å; L906-F918 HydrophobicContact CD2-CZ 4.39Å; L906-N921 PolarHBondContact N-OD1 3.21Å; L906-N921 PolarHBondContact O-ND2 3.01Å; L906-I933 HydrophobicContact CD1-CD1 3.59Å; L906-I933 HydrophobicContact CD2-CD1 4.15Å; L906-I952 HydrophobicContact CD2-CG2 4.32Å; L906-W953 CarbonylContact C-O 3.44Å; L906-W953 WeakPolarHBondContact CA-O 3.49Å; L906-I954 HydrophobicContact CG-CG1 4.39Å
907	N	94.3	Very high	91.1	Very high	6 Å²	6	23.9 Å²	23.9	3%	0.032	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	149.5	176.3	-156.5	-37.6	0	0	0	108.7	P608 Y916 I952 W953	P608-N907 WeakPolarHBondContact CD-ND2 3.5Å; P608-N907 WeakPolarHBondContact CG-ND2 3.48Å; N907-Y916 PolarHBondContact OD1-OH 3.01Å; N907-I952 CarbonylContact O-C 3.51Å; N907-I952 WeakPolarHBondContact O-CA 3.4Å; N907-W953 PolarHBondContact N-O 2.87Å; N907-W953 PolarHBondContact O-N 3.02Å
908	I	95.3	Very high	91.3	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.005	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	130.3	168.6	-64.9	166.6	0	0	0	107.6	L912 Y916 F918 L935 L937 I952	I908-L912 HydrophobicContact CG2-CD1 3.91Å; I908-Y916 HydrophobicContact CB-CD1 3.86Å; I908-Y916 HydrophobicContact CB-CE1 3.59Å; I908-Y916 HydrophobicContact CD1-CD1 3.57Å; I908-Y916 HydrophobicContact CD1-CD2 4Å; I908-Y916 HydrophobicContact CD1-CE1 4.15Å; I908-Y916 HydrophobicContact CD1-CG 3.5Å; I908-Y916 VanDerWaalsContact CD1-CG 3.5Å; I908-Y916 HydrophobicContact CG1-CD1 4.1Å; I908-Y916 HydrophobicContact CG1-CD2 4.5Å; I908-Y916 HydrophobicContact CG1-CE1 4.16Å; I908-Y916 HydrophobicContact CG1-CG 4.28Å; I908-Y916 PolarHBondContact N-OH 2.94Å; I908-F918 HydrophobicContact CD1-CZ 4.37Å; I908-F918 HydrophobicContact CG1-CZ 4.27Å; I908-L935 HydrophobicContact CD1-CD1 3.79Å; I908-L935 HydrophobicContact CD1-CD2 4.09Å; I908-L937 HydrophobicContact CD1-CD2 4.18Å; I908-I952 HydrophobicContact CG1-CG1 3.78Å
909	D	95.2	Very high	91.7	Very high	5 Å²	5	18 Å²	18	3%	0.027	9%	0.086	C	C	.	.			trans	-47.4	121.8	174.4	-178	-22.2	0	0	0	111.4	R911 L912 Y951 W953	D909-R911 VanDerWaalsContact CG-NE 3.29Å; D909-R911 PolarHBondContact O-N 3.22Å; D909-R911 VanDerWaalsContact O-N 3.1Å; D909-R911 VanDerWaalsContact OD1-CB 3.24Å; D909-R911 WeakPolarHBondContact OD1-CB 3.26Å; D909-R911 VanDerWaalsContact OD1-CG 3.3Å; D909-R911 WeakPolarHBondContact OD1-CG 3.36Å; D909-R911 IonicContact OD1-CZ 3.31Å; D909-R911 PolarHBondContact OD1-N 2.79Å; D909-R911 IonicContact OD1-NE 3.47Å; D909-R911 PolarHBondContact OD1-NE 3.35Å; D909-R911 IonicContact OD1-NH2 3.31Å; D909-R911 IonicContact OD2-CZ 3.84Å; D909-R911 IonicContact OD2-NE 3.29Å; D909-R911 PolarHBondContact OD2-NE 2.89Å; D909-R911 IonicContact OD2-NH2 3.41Å; D909-R911 PolarHBondContact OD2-NH2 3.39Å; D909-L912 PolarHBondContact O-N 3.08Å; D909-L912 VanDerWaalsContact O-N 3.16Å; D909-Y951 HydrophobicContact CB-CD1 3.65Å; D909-Y951 HydrophobicContact CB-CG 4.3Å; D909-Y951 WeakPolarHBondContact CB-O 3.02Å; D909-Y951 PolarHBondContact N-O 2.97Å; D909-Y951 WeakPolarHBondContact OD2-CD1 3.46Å; D909-W953 HydrophobicContact CB-CD2 4.42Å; D909-W953 HydrophobicContact CB-CH2 3.81Å; D909-W953 HydrophobicContact CB-CZ2 3.35Å; D909-W953 HydrophobicContact CB-CZ3 4.48Å; D909-W953 WeakPolarHBondContact OD2-CZ2 3.49Å
910	P	95.6	Very high	92.2	Very high	4 Å²	4	20.9 Å²	20.9	3%	0.026	10%	0.101	C	C	.	.	G	3₁₀ helix	trans	-67.5	-13.2	-173.6	30	-37.8	0	0	0	113.6	P608 L609 A612 W624 I661 L912 N913	P608-P910 HydrophobicContact CB-CB 4.38Å; P608-P910 HydrophobicContact CB-CG 3.89Å; P608-P910 WeakPolarHBondContact O-CB 3.38Å; L609-P910 HydrophobicContact CD1-CB 4.45Å; A612-P910 HydrophobicContact CB-CB 3.64Å; A612-P910 HydrophobicContact CB-CG 4.29Å; W624-P910 HydrophobicContact CH2-CG 3.89Å; I661-P910 HydrophobicContact CG2-CG 3.5Å; I661-P910 VanDerWaalsContact CG2-CG 3.5Å; P910-L912 PolarHBondContact O-N 2.77Å; P910-N913 WeakPolarHBondContact O-CA 2.94Å; P910-N913 PolarHBondContact O-N 3.37Å
911	R	94.1	Very high	92.7	Very high	113 Å²	113	20.8 Å²	20.8	43%	0.426	10%	0.1	S	C	.	.	G	3₁₀ helix	trans	-61.5	-25.8	173.3	-67.4	174.3	-77.1	-142	-3.2	112.8	I618 D659 I661 D909 N913	I618-R911 HydrophobicContact CD1-CG 4.1Å; D659-R911 IonicContact OD1-NH1 2.73Å; D659-R911 IonicContact OD2-CZ 2.6Å; D659-R911 VanDerWaalsContact OD2-CZ 3.32Å; D659-R911 IonicContact OD2-NH1 2.91Å; D659-R911 PolarHBondContact OD2-NH1 2.84Å; D659-R911 IonicContact OD2-NH2 3.61Å; D659-R911 PolarHBondContact OD2-NH2 3.46Å; I661-R911 HydrophobicContact CD1-CG 3.75Å; D909-R911 VanDerWaalsContact CG-NE 3.29Å; D909-R911 PolarHBondContact O-N 3.22Å; D909-R911 VanDerWaalsContact O-N 3.1Å; D909-R911 VanDerWaalsContact OD1-CB 3.24Å; D909-R911 WeakPolarHBondContact OD1-CB 3.26Å; D909-R911 VanDerWaalsContact OD1-CG 3.3Å; D909-R911 WeakPolarHBondContact OD1-CG 3.36Å; D909-R911 IonicContact OD1-CZ 3.31Å; D909-R911 PolarHBondContact OD1-N 2.79Å; D909-R911 IonicContact OD1-NE 3.47Å; D909-R911 PolarHBondContact OD1-NE 3.35Å; D909-R911 IonicContact OD1-NH2 3.31Å; D909-R911 IonicContact OD2-CZ 3.84Å; D909-R911 IonicContact OD2-NE 3.29Å; D909-R911 PolarHBondContact OD2-NE 2.89Å; D909-R911 IonicContact OD2-NH2 3.41Å; D909-R911 PolarHBondContact OD2-NH2 3.39Å; R911-N913 PolarHBondContact O-N 2.74Å
912	L	92.6	Very high	92.8	Very high	36 Å²	36	20.8 Å²	20.8	19%	0.188	10%	0.1	C	C	.	.	G	3₁₀ helix	trans	-73.5	-16.2	173.1	-66.1	-176.4	0	0	0	113.2	I908 D909 P910 L914 I943 L947 Y951	I908-L912 HydrophobicContact CG2-CD1 3.91Å; D909-L912 PolarHBondContact O-N 3.08Å; D909-L912 VanDerWaalsContact O-N 3.16Å; P910-L912 PolarHBondContact O-N 2.77Å; L912-L914 HydrophobicContact CB-CD1 4.02Å; L912-L914 HydrophobicContact CB-CG 3.91Å; L912-L914 HydrophobicContact CD1-CD1 4Å; L912-L914 PolarHBondContact O-N 3.26Å; L912-I943 HydrophobicContact CD1-CD1 3.73Å; L912-I943 HydrophobicContact CD2-CD1 4.38Å; L912-L947 HydrophobicContact CD2-CD2 4.13Å; L912-L947 HydrophobicContact CD2-CG 4.33Å; L912-Y951 HydrophobicContact CD1-CD1 3.79Å; L912-Y951 HydrophobicContact CD1-CD2 4.39Å; L912-Y951 HydrophobicContact CD1-CG 3.6Å; L912-Y951 HydrophobicContact CD2-CD1 3.64Å; L912-Y951 HydrophobicContact CD2-CD2 4.4Å; L912-Y951 HydrophobicContact CD2-CE1 3.73Å; L912-Y951 HydrophobicContact CD2-CE2 4.5Å; L912-Y951 HydrophobicContact CD2-CG 3.99Å; L912-Y951 HydrophobicContact CG-CD1 3.41Å; L912-Y951 VanDerWaalsContact CG-CD1 3.41Å; L912-Y951 HydrophobicContact CG-CE1 3.98Å; L912-Y951 HydrophobicContact CG-CG 3.78Å
913	N	91.6	Very high	92.9	Very high	75 Å²	75	19 Å²	19	40%	0.401	9%	0.09	S	C	.	.			trans	49.2	44.2	-177.4	-170.7	22.8	0	0	0	113.2	R613 P910 R911	R613-N913 VanDerWaalsContact CZ-OD1 3.28Å; R613-N913 PolarHBondContact NE-OD1 2.93Å; R613-N913 PolarHBondContact NH2-OD1 3.24Å; P910-N913 WeakPolarHBondContact O-CA 2.94Å; P910-N913 PolarHBondContact O-N 3.37Å; R911-N913 PolarHBondContact O-N 2.74Å
914	L	91.4	Very high	92.7	Very high	19 Å²	19	21.5 Å²	21.5	10%	0.099	10%	0.102	C	C	.	.			trans	-98.7	132.4	178.8	-66.5	176.5	0	0	0	110.6	L609 L912 Y916 L937 I943 L948	L609-L914 WeakPolarHBondContact CD2-O 3.43Å; L912-L914 HydrophobicContact CB-CD1 4.02Å; L912-L914 HydrophobicContact CB-CG 3.91Å; L912-L914 HydrophobicContact CD1-CD1 4Å; L912-L914 PolarHBondContact O-N 3.26Å; L914-Y916 VanDerWaalsContact O-CD1 3.28Å; L914-Y916 WeakPolarHBondContact O-CD1 3.38Å; L914-L937 HydrophobicContact CD1-CD1 4.36Å; L914-I943 HydrophobicContact CD1-CD1 3.68Å; L914-L948 HydrophobicContact CD1-CD2 4.39Å
915	E	91.5	Very high	92.4	Very high	6 Å²	6	23.9 Å²	23.9	3%	0.028	11%	0.114	C	C	.	.			trans	-82.2	126.7	162.9	-88.3	173	-135.9	0	0	110	H396 R408 R613 L937 S938	H396-E915 WeakPolarHBondContact CB-OE1 3.49Å; H396-E915 IonicContact CD2-OE1 2.93Å; H396-E915 IonicContact CG-OE1 3.06Å; H396-E915 PolarHBondContact N-OE1 3.18Å; R408-E915 IonicContact CZ-OE2 3.66Å; R408-E915 IonicContact NH1-OE2 3.1Å; R408-E915 PolarHBondContact NH1-OE2 3.26Å; R408-E915 IonicContact NH2-OE2 3.96Å; R613-E915 IonicContact CZ-OE1 3.17Å; R613-E915 IonicContact NH1-OE1 2.67Å; R613-E915 PolarHBondContact NH1-OE1 3.18Å; R613-E915 IonicContact NH2-OE1 3.97Å; E915-L937 WeakPolarHBondContact O-CA 3.28Å; E915-S938 PolarHBondContact O-N 3.32Å
916	Y	93.9	Very high	92	Very high	8 Å²	8	23.3 Å²	23.3	3%	0.031	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	168.9	-176.3	61.7	-92	0	0	0	113.1	L609 Q733 N907 I908 L914 F918 L935 Y936	L609-Y916 HydrophobicContact CD2-CE1 4.32Å; Q733-Y916 PolarHBondContact NE2-O 3.18Å; Q733-Y916 VanDerWaalsContact OE1-CE2 3.25Å; Q733-Y916 PolarHBondContact OE1-O 3.32Å; Q733-Y916 VanDerWaalsContact OE1-O 3.1Å; N907-Y916 PolarHBondContact OD1-OH 3.01Å; I908-Y916 HydrophobicContact CB-CD1 3.86Å; I908-Y916 HydrophobicContact CB-CE1 3.59Å; I908-Y916 HydrophobicContact CD1-CD1 3.57Å; I908-Y916 HydrophobicContact CD1-CD2 4Å; I908-Y916 HydrophobicContact CD1-CE1 4.15Å; I908-Y916 HydrophobicContact CD1-CG 3.5Å; I908-Y916 VanDerWaalsContact CD1-CG 3.5Å; I908-Y916 HydrophobicContact CG1-CD1 4.1Å; I908-Y916 HydrophobicContact CG1-CD2 4.5Å; I908-Y916 HydrophobicContact CG1-CE1 4.16Å; I908-Y916 HydrophobicContact CG1-CG 4.28Å; I908-Y916 PolarHBondContact N-OH 2.94Å; L914-Y916 VanDerWaalsContact O-CD1 3.28Å; L914-Y916 WeakPolarHBondContact O-CD1 3.38Å; Y916-F918 AromaticContact CD2-CD2 3.88Å; Y916-F918 HydrophobicContact CD2-CD2 3.88Å; Y916-F918 AromaticContact CD2-CE2 3.57Å; Y916-F918 HydrophobicContact CD2-CE2 3.57Å; Y916-F918 HydrophobicContact CD2-CZ 4.38Å; Y916-F918 AromaticContact CE2-CD2 3.96Å; Y916-F918 HydrophobicContact CE2-CD2 3.96Å; Y916-F918 AromaticContact CE2-CE2 3.51Å; Y916-F918 HydrophobicContact CE2-CE2 3.51Å; Y916-L935 HydrophobicContact CD2-CD1 4.43Å; Y916-L935 HydrophobicContact CG-CD1 4.4Å; Y916-Y936 CarbonylContact C-O 3.54Å; Y916-Y936 WeakPolarHBondContact CA-O 3.43Å
917	W	95	Very high	91.3	Very high	4 Å²	4	26.7 Å²	26.7	2%	0.015	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	142.4	168.1	-179.2	87.5	0	0	0	109.1	W734 Y739 M882 A883 P884 F885 Y936	W734-W917 AromaticContact CD2-CD1 3.85Å; W734-W917 AromaticContact CD2-NE1 3.24Å; W734-W917 AromaticContact CE2-NE1 3.47Å; W734-W917 HydrophobicContact CE3-CZ2 4.48Å; W734-W917 AromaticContact CE3-NE1 3.32Å; W734-W917 VanDerWaalsContact CE3-NE1 3.32Å; W734-W917 AromaticContact CG-CD1 3.99Å; W734-W917 AromaticContact CG-NE1 3.87Å; W734-W917 HydrophobicContact CH2-CZ2 4.09Å; W734-W917 AromaticContact CH2-NE1 3.88Å; W734-W917 AromaticContact CZ2-NE1 3.78Å; W734-W917 HydrophobicContact CZ3-CZ2 4.01Å; W734-W917 AromaticContact CZ3-NE1 3.65Å; Y739-W917 HydrophobicContact CE1-CZ2 4.48Å; Y739-W917 AromaticContact CE1-NE1 3.78Å; Y739-W917 AromaticContact CZ-NE1 3.91Å; Y739-W917 VanDerWaalsContact OH-CD1 3.24Å; Y739-W917 PolarHBondContact OH-NE1 3.2Å; M882-W917 WeakPolarHBondContact O-CH2 3.28Å; A883-W917 HydrophobicContact CB-CE3 3.84Å; A883-W917 HydrophobicContact CB-CZ3 4.08Å; P884-W917 HydrophobicContact CG-CD2 4.47Å; P884-W917 HydrophobicContact CG-CG 4.35Å; F885-W917 HydrophobicContact CE1-CB 3.72Å; F885-W917 HydrophobicContact CZ-CB 3.8Å; W917-Y936 AromaticContact CE3-CD2 3.41Å; W917-Y936 HydrophobicContact CE3-CD2 3.41Å; W917-Y936 VanDerWaalsContact CE3-CD2 3.41Å; W917-Y936 AromaticContact CE3-CE2 3.73Å; W917-Y936 HydrophobicContact CE3-CE2 3.73Å; W917-Y936 HydrophobicContact CE3-CG 4.05Å; W917-Y936 AromaticContact CZ3-CD2 3.74Å; W917-Y936 HydrophobicContact CZ3-CD2 3.74Å; W917-Y936 AromaticContact CZ3-CE2 3.52Å; W917-Y936 HydrophobicContact CZ3-CE2 3.52Å; W917-Y936 PolarHBondContact N-O 2.9Å; W917-Y936 PolarHBondContact O-N 3.16Å
918	F	95.6	Very high	91	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	141.2	178	-71.2	-77.8	0	0	0	109.7	Y739 L893 L906 I908 Y916 I920 N921 I933 Y934 L935	Y739-F918 WeakPolarHBondContact CE1-O 3.34Å; Y739-F918 PolarHBondContact OH-N 2.9Å; Y739-F918 VanDerWaalsContact OH-N 3.16Å; Y739-F918 PolarHBondContact OH-O 3.32Å; L893-F918 HydrophobicContact CD2-CE1 4.4Å; L906-F918 HydrophobicContact CB-CD2 4.29Å; L906-F918 HydrophobicContact CB-CE1 4.1Å; L906-F918 HydrophobicContact CB-CE2 3.82Å; L906-F918 HydrophobicContact CB-CZ 3.72Å; L906-F918 HydrophobicContact CD2-CE1 4.03Å; L906-F918 HydrophobicContact CD2-CZ 4.39Å; I908-F918 HydrophobicContact CD1-CZ 4.37Å; I908-F918 HydrophobicContact CG1-CZ 4.27Å; Y916-F918 AromaticContact CD2-CD2 3.88Å; Y916-F918 HydrophobicContact CD2-CD2 3.88Å; Y916-F918 AromaticContact CD2-CE2 3.57Å; Y916-F918 HydrophobicContact CD2-CE2 3.57Å; Y916-F918 HydrophobicContact CD2-CZ 4.38Å; Y916-F918 AromaticContact CE2-CD2 3.96Å; Y916-F918 HydrophobicContact CE2-CD2 3.96Å; Y916-F918 AromaticContact CE2-CE2 3.51Å; Y916-F918 HydrophobicContact CE2-CE2 3.51Å; F918-I920 PolarHBondContact O-N 3.33Å; F918-N921 HydrophobicContact CB-CB 3.99Å; F918-N921 WeakPolarHBondContact CD2-ND2 3.42Å; F918-I933 HydrophobicContact CB-CG2 4.22Å; F918-I933 HydrophobicContact CD1-CG2 3.9Å; F918-Y934 CarbonylContact C-O 3.52Å; F918-Y934 WeakPolarHBondContact CA-O 3.13Å; F918-L935 HydrophobicContact CD1-CB 4.05Å; F918-L935 HydrophobicContact CD1-CD1 4.03Å; F918-L935 HydrophobicContact CE1-CB 3.94Å; F918-L935 HydrophobicContact CE1-CD1 3.69Å; F918-L935 HydrophobicContact CE1-CD2 4.42Å; F918-L935 HydrophobicContact CE1-CG 4.23Å; F918-L935 HydrophobicContact CE2-CD1 4.43Å; F918-L935 HydrophobicContact CZ-CD1 3.9Å
919	S	93.7	Very high	90.8	Very high	6 Å²	6	37.9 Å²	37.9	4%	0.042	18%	0.178	C	C	.	.	S	Bend	trans	-60.6	-33.3	178.9	60.2	0	0	0	0	113.6	K743 Y934	K743-S919 PolarHBondContact NZ-O 3Å; S919-Y934 PolarHBondContact N-O 2.89Å; S919-Y934 PolarHBondContact OG-N 3.45Å
920	I	92.2	Very high	90.8	Very high	70 Å²	70	41 Å²	41	36%	0.359	19%	0.192	S	C	.	.	S	Bend	trans	-143.8	129.6	177.8	-53.9	173.7	0	0	0	106	F918 F923 I933	F918-I920 PolarHBondContact O-N 3.33Å; I920-F923 HydrophobicContact CG2-CB 4.1Å; I920-F923 HydrophobicContact CG2-CD1 3.67Å; I920-F923 HydrophobicContact CG2-CE1 4.44Å; I920-F923 HydrophobicContact CG2-CG 4.1Å; I920-I933 WeakPolarHBondContact O-CG2 3.49Å
921	N	93.8	Very high	90.7	Very high	4 Å²	4	43.1 Å²	43.1	2%	0.021	20%	0.201	C	C	.	.			trans	-151.7	166.8	176.2	-157.1	4.3	0	0	0	109.9	Y739 H905 L906 F918 F923	Y739-N921 VanDerWaalsContact CB-O 3.23Å; Y739-N921 WeakPolarHBondContact CB-O 3.46Å; Y739-N921 HydrophobicContact CD1-CB 3.93Å; Y739-N921 HydrophobicContact CD2-CB 3.75Å; Y739-N921 HydrophobicContact CE1-CB 3.9Å; Y739-N921 HydrophobicContact CE2-CB 3.67Å; Y739-N921 HydrophobicContact CG-CB 3.86Å; H905-N921 WeakPolarHBondContact CA-OD1 3.43Å; H905-N921 PolarHBondContact CD2-ND2 3.08Å; H905-N921 VanDerWaalsContact CD2-ND2 3.3Å; H905-N921 PolarHBondContact CD2-OD1 3.43Å; H905-N921 PolarHBondContact NE2-ND2 3.37Å; L906-N921 PolarHBondContact N-OD1 3.21Å; L906-N921 PolarHBondContact O-ND2 3.01Å; F918-N921 HydrophobicContact CB-CB 3.99Å; F918-N921 WeakPolarHBondContact CD2-ND2 3.42Å; N921-F923 PolarHBondContact O-N 3.41Å
922	G	87.3	Confident	90.8	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.205	C	C	.	.	S	Bend	trans	58.2	20.3	176.1	0	0	0	0	0	114.9	S740 I904	S740-G922 WeakPolarHBondContact CB-O 3.4Å; S740-G922 PolarHBondContact OG-O 2.95Å; S740-G922 VanDerWaalsContact OG-O 3.12Å; I904-G922 CarbonylContact O-C 3.28Å; I904-G922 WeakPolarHBondContact O-CA 3.01Å; I904-G922 PolarHBondContact O-N 3.23Å
923	F	87.1	Confident	90.9	Very high	7 Å²	7	42.3 Å²	42.3	3%	0.031	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	145.4	-166.8	59.5	-91.1	0	0	0	112	I895 F903 I904 I920 N921 L925 M926 K931 I933	I895-F923 HydrophobicContact CD1-CE1 4.41Å; I895-F923 HydrophobicContact CD1-CZ 3.86Å; F903-F923 CarbonylContact C-O 3.59Å; F903-F923 WeakPolarHBondContact CA-O 3.38Å; F903-F923 PolarHBondContact N-O 2.95Å; I904-F923 HydrophobicContact CB-CD2 4.49Å; I904-F923 HydrophobicContact CB-CE1 3.9Å; I904-F923 HydrophobicContact CB-CE2 3.89Å; I904-F923 HydrophobicContact CB-CZ 3.54Å; I904-F923 HydrophobicContact CD1-CD2 4.03Å; I904-F923 HydrophobicContact CD1-CE2 3.47Å; I904-F923 VanDerWaalsContact CD1-CE2 3.47Å; I904-F923 HydrophobicContact CD1-CZ 4Å; I904-F923 HydrophobicContact CG1-CE2 3.92Å; I904-F923 HydrophobicContact CG1-CZ 3.9Å; I904-F923 HydrophobicContact CG2-CE1 4.17Å; I904-F923 HydrophobicContact CG2-CZ 3.95Å; I904-F923 PolarHBondContact N-O 3.28Å; I904-F923 PolarHBondContact O-N 2.78Å; I920-F923 HydrophobicContact CG2-CB 4.1Å; I920-F923 HydrophobicContact CG2-CD1 3.67Å; I920-F923 HydrophobicContact CG2-CE1 4.44Å; I920-F923 HydrophobicContact CG2-CG 4.1Å; N921-F923 PolarHBondContact O-N 3.41Å; F923-L925 VanDerWaalsContact CD2-O 3.3Å; F923-L925 WeakPolarHBondContact CD2-O 3.31Å; F923-L925 PolarHBondContact O-N 3.13Å; F923-M926 HydrophobicContact CE2-CB 4.13Å; F923-K931 HydrophobicContact CD2-CD 4.45Å; F923-K931 HydrophobicContact CE1-CD 4.24Å; F923-K931 HydrophobicContact CE2-CD 3.7Å; F923-K931 HydrophobicContact CZ-CD 3.59Å; F923-I933 HydrophobicContact CE1-CD1 4.1Å
924	H	84.6	Confident	91.1	Very high	75 Å²	75	40.3 Å²	40.3	35%	0.347	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	-36.7	-168.4	66.5	-87.8	0	0	0	114.6	E744 L902 F903	E744-H924 IonicContact OE1-CE1 3.17Å; E744-H924 PolarHBondContact OE1-CE1 3.36Å; E744-H924 IonicContact OE1-ND1 2.77Å; E744-H924 PolarHBondContact OE1-ND1 3.22Å; E744-H924 IonicContact OE2-ND1 3.1Å; L902-H924 CarbonylContact C-O 3.58Å; L902-H924 WeakPolarHBondContact CA-O 3.47Å; L902-H924 WeakPolarHBondContact CD2-O 3.45Å; F903-H924 HydrophobicContact CD1-CB 4.49Å; F903-H924 HydrophobicContact CE1-CB 4.25Å; F903-H924 PolarHBondContact N-O 3.49Å
925	L	85.5	Confident	91.3	Very high	49 Å²	49	39.4 Å²	39.4	26%	0.257	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	137.5	-174.2	176.4	66	0	0	0	113.1	P900 E901 L902 F923 N927	P900-L925 HydrophobicContact CB-CD1 4.24Å; E901-L925 WeakPolarHBondContact O-CA 3.46Å; L902-L925 HydrophobicContact CD2-CB 4.16Å; L902-L925 HydrophobicContact CD2-CD1 3.65Å; L902-L925 HydrophobicContact CD2-CG 4.49Å; F923-L925 VanDerWaalsContact CD2-O 3.3Å; F923-L925 WeakPolarHBondContact CD2-O 3.31Å; F923-L925 PolarHBondContact O-N 3.13Å; L925-N927 HydrophobicContact CD2-CB 4.13Å; L925-N927 HydrophobicContact CG-CB 4.27Å
926	M	86.3	Confident	91.4	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	107.6	159.6	-160.1	176	73.5	0	0	110	F803 I895 E901 I904 F923 K928 K931	F803-M926 HydrophobicContact CE1-CE 4.47Å; F803-M926 HydrophobicContact CZ-CE 4.14Å; I895-M926 HydrophobicContact CD1-SD 3.99Å; I895-M926 HydrophobicContact CG1-SD 4.25Å; E901-M926 HydrophobicContact CB-CB 4.42Å; E901-M926 HydrophobicContact CG-CE 4.42Å; E901-M926 PolarHBondContact O-N 3.17Å; I904-M926 HydrophobicContact CD1-CB 3.93Å; F923-M926 HydrophobicContact CE2-CB 4.13Å; M926-K928 WeakPolarHBondContact CE-O 3.38Å; M926-K928 WeakPolarHBondContact CG-O 3.37Å; M926-K931 HydrophobicContact CG-CB 4.35Å; M926-K931 HydrophobicContact CG-CD 4.4Å; M926-K931 HydrophobicContact SD-CB 4.29Å
927	N	80.7	Confident	91.4	Very high	72 Å²	72	38.9 Å²	38.9	39%	0.385	18%	0.176	S	C	.	.			trans	-98.9	4.9	-175.1	66.6	-14.1	0	0	0	114.2	L925	L925-N927 HydrophobicContact CD2-CB 4.13Å; L925-N927 HydrophobicContact CG-CB 4.27Å
928	K	87.8	Confident	91	Very high	136 Å²	136	39.5 Å²	39.5	59%	0.591	18%	0.181	S	C	*	.	S	Bend	trans	-138.6	158.2	177.8	-66.7	-177	-178.8	-176.6	0	109	F803 M926 E930	F803-K928 VanDerWaalsContact CE1-C 3.45Å; F803-K928 WeakPolarHBondContact CE1-O 3.18Å; M926-K928 WeakPolarHBondContact CE-O 3.38Å; M926-K928 WeakPolarHBondContact CG-O 3.37Å; K928-E930 PolarHBondContact O-N 2.95Å
929	K	90.8	Very high	90.2	Very high	106 Å²	106	40.6 Å²	40.6	46%	0.461	19%	0.192	S	C	.	.	S	Bend	trans	-55.5	-38.9	177.8	-172.1	-177.8	173.6	-167.4	0	112.9	F803 E896 S897	F803-K929 HydrophobicContact CD2-CB 4.4Å; F803-K929 HydrophobicContact CE2-CB 4.1Å; E896-K929 VanDerWaalsContact CA-O 3.29Å; E896-K929 WeakPolarHBondContact CA-O 3.46Å; E896-K929 HydrophobicContact CG-CG 4.33Å; E896-K929 WeakPolarHBondContact OE1-CE 3.36Å; E896-K929 IonicContact OE1-NZ 3.61Å; E896-K929 PolarHBondContact OE1-NZ 3.27Å; S897-K929 PolarHBondContact N-O 3.22Å; S897-K929 WeakPolarHBondContact O-CG 3.25Å
930	E	94.8	Very high	89	Confident	69 Å²	69	47.6 Å²	47.6	32%	0.322	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	143.1	-178.1	-70.9	174.3	-149.3	0	0	111.1	K863 I894 I895 E896 K928	K863-E930 HydrophobicContact CD-CG 4.29Å; K863-E930 IonicContact NZ-OE1 3.74Å; K863-E930 PolarHBondContact NZ-OE1 3.31Å; K863-E930 IonicContact NZ-OE2 3.61Å; K863-E930 PolarHBondContact NZ-OE2 3.01Å; I894-E930 HydrophobicContact CG2-CB 3.95Å; I894-E930 HydrophobicContact CG2-CG 4.08Å; I895-E930 CarbonylContact O-C 3.6Å; I895-E930 VanDerWaalsContact O-CA 3.26Å; I895-E930 WeakPolarHBondContact O-CA 3.36Å; E896-E930 HydrophobicContact CB-CG 4.24Å; E896-E930 HydrophobicContact CG-CG 4.24Å; K928-E930 PolarHBondContact O-N 2.95Å
931	K	94.7	Very high	88.1	Confident	49 Å²	49	52.1 Å²	52.1	21%	0.213	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	131.8	174.6	-165.6	168.5	-175.6	175	0	110.4	I894 I895 F923 M926	I894-K931 WeakPolarHBondContact CA-O 3.5Å; I895-K931 HydrophobicContact CD1-CB 4.12Å; I895-K931 HydrophobicContact CG1-CB 3.8Å; I895-K931 WeakPolarHBondContact CG1-O 3.32Å; I895-K931 PolarHBondContact N-O 3.09Å; I895-K931 PolarHBondContact O-N 3.05Å; F923-K931 HydrophobicContact CD2-CD 4.45Å; F923-K931 HydrophobicContact CE1-CD 4.24Å; F923-K931 HydrophobicContact CE2-CD 3.7Å; F923-K931 HydrophobicContact CZ-CD 3.59Å; M926-K931 HydrophobicContact CG-CB 4.35Å; M926-K931 HydrophobicContact CG-CD 4.4Å; M926-K931 HydrophobicContact SD-CB 4.29Å
932	R	95.1	Very high	87.2	Confident	132 Å²	132	57.1 Å²	57.1	50%	0.498	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	133.3	177.3	-172.2	-178.2	-58.2	-132	-3	110.1	E892 L893 Y934	E892-R932 HydrophobicContact CG-CG 4.03Å; E892-R932 IonicContact OE1-CZ 3.35Å; E892-R932 IonicContact OE1-NH1 3.9Å; E892-R932 PolarHBondContact OE1-NH1 3.06Å; E892-R932 WeakPolarHBondContact OE2-CD 3.48Å; E892-R932 IonicContact OE2-CZ 3.83Å; E892-R932 IonicContact OE2-NE 3.61Å; E892-R932 IonicContact OE2-NH1 3.72Å; E892-R932 PolarHBondContact OE2-NH1 3.5Å; L893-R932 CarbonylContact O-C 3.56Å; L893-R932 WeakPolarHBondContact O-CA 3.46Å; R932-Y934 WeakPolarHBondContact CD-OH 3.32Å
933	I	95.3	Very high	87.2	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	142.5	178.5	-57.5	176.5	0	0	0	107.9	L893 I895 L906 F918 I920 F923	L893-I933 HydrophobicContact CB-CB 4.48Å; L893-I933 PolarHBondContact N-O 2.59Å; L893-I933 PolarHBondContact O-N 2.75Å; I895-I933 HydrophobicContact CD1-CD1 3.84Å; I895-I933 HydrophobicContact CG1-CD1 4.22Å; I895-I933 HydrophobicContact CG2-CD1 4.45Å; L906-I933 HydrophobicContact CD1-CD1 3.59Å; L906-I933 HydrophobicContact CD2-CD1 4.15Å; F918-I933 HydrophobicContact CB-CG2 4.22Å; F918-I933 HydrophobicContact CD1-CG2 3.9Å; I920-I933 WeakPolarHBondContact O-CG2 3.49Å; F923-I933 HydrophobicContact CE1-CD1 4.1Å
934	Y	95.4	Very high	87.3	Confident	34 Å²	34	61 Å²	61	13%	0.133	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	131.6	171.8	-58.6	-77.4	0	0	0	110.2	L868 I879 Y891 E892 F918 S919 R932	L868-Y934 HydrophobicContact CD1-CD1 3.98Å; L868-Y934 HydrophobicContact CD1-CE1 3.96Å; I879-Y934 HydrophobicContact CD1-CE1 4.11Å; I879-Y934 HydrophobicContact CD1-CE2 4.49Å; Y891-Y934 CarbonylContact O-C 3.59Å; Y891-Y934 VanDerWaalsContact O-CA 3.26Å; Y891-Y934 WeakPolarHBondContact O-CA 3.48Å; E892-Y934 HydrophobicContact CB-CD1 4.15Å; E892-Y934 HydrophobicContact CB-CE1 4.09Å; E892-Y934 HydrophobicContact CG-CE1 4.18Å; F918-Y934 CarbonylContact C-O 3.52Å; F918-Y934 WeakPolarHBondContact CA-O 3.13Å; S919-Y934 PolarHBondContact N-O 2.89Å; S919-Y934 PolarHBondContact OG-N 3.45Å; R932-Y934 WeakPolarHBondContact CD-OH 3.32Å
935	L	95.4	Very high	87.6	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	131.6	172.9	167.3	63.8	0	0	0	109	I890 Y891 L893 I908 Y916 F918 L937 L948 I952	I890-L935 CarbonylContact C-O 3.57Å; I890-L935 WeakPolarHBondContact CA-O 3.3Å; Y891-L935 HydrophobicContact CD2-CD2 4.43Å; Y891-L935 HydrophobicContact CD2-CG 4.47Å; Y891-L935 PolarHBondContact N-O 3.46Å; Y891-L935 PolarHBondContact O-N 2.98Å; L893-L935 HydrophobicContact CD1-CB 3.29Å; L893-L935 HydrophobicContact CD1-CD2 4.29Å; L893-L935 HydrophobicContact CD1-CG 4.44Å; I908-L935 HydrophobicContact CD1-CD1 3.79Å; I908-L935 HydrophobicContact CD1-CD2 4.09Å; Y916-L935 HydrophobicContact CD2-CD1 4.43Å; Y916-L935 HydrophobicContact CG-CD1 4.4Å; F918-L935 HydrophobicContact CD1-CB 4.05Å; F918-L935 HydrophobicContact CD1-CD1 4.03Å; F918-L935 HydrophobicContact CE1-CB 3.94Å; F918-L935 HydrophobicContact CE1-CD1 3.69Å; F918-L935 HydrophobicContact CE1-CD2 4.42Å; F918-L935 HydrophobicContact CE1-CG 4.23Å; F918-L935 HydrophobicContact CE2-CD1 4.43Å; F918-L935 HydrophobicContact CZ-CD1 3.9Å; L935-L937 HydrophobicContact CD1-CD2 3.79Å; L935-L937 HydrophobicContact CD2-CD2 4.1Å; L935-L937 HydrophobicContact CG-CD2 3.93Å; L935-L937 HydrophobicContact CG-CG 4.39Å; L935-L948 HydrophobicContact CD2-CD2 4.24Å; L935-I952 HydrophobicContact CD2-CD1 4.26Å
936	Y	94.4	Very high	87.9	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	122.2	178.8	-61.9	-105.4	0	0	0	107.3	I879 A883 T887 I890 Y916 W917	I879-Y936 HydrophobicContact CG2-CE1 4.05Å; I879-Y936 WeakPolarHBondContact CG2-OH 3.45Å; I879-Y936 WeakPolarHBondContact O-CE1 3.43Å; I879-Y936 PolarHBondContact O-OH 3Å; I879-Y936 VanDerWaalsContact O-OH 3.04Å; A883-Y936 HydrophobicContact CB-CD1 3.54Å; A883-Y936 HydrophobicContact CB-CD2 4.38Å; A883-Y936 HydrophobicContact CB-CE1 3.91Å; A883-Y936 HydrophobicContact CB-CG 3.8Å; T887-Y936 HydrophobicContact CG2-CD1 3.84Å; T887-Y936 HydrophobicContact CG2-CG 4.36Å; I890-Y936 HydrophobicContact CB-CD1 4.5Å; I890-Y936 HydrophobicContact CD1-CD1 4.03Å; I890-Y936 HydrophobicContact CD1-CE1 3.79Å; I890-Y936 HydrophobicContact CG1-CD1 3.79Å; I890-Y936 HydrophobicContact CG1-CE1 4Å; I890-Y936 HydrophobicContact CG2-CD1 4.09Å; I890-Y936 HydrophobicContact CG2-CE1 3.88Å; Y916-Y936 CarbonylContact C-O 3.54Å; Y916-Y936 WeakPolarHBondContact CA-O 3.43Å; W917-Y936 AromaticContact CE3-CD2 3.41Å; W917-Y936 HydrophobicContact CE3-CD2 3.41Å; W917-Y936 VanDerWaalsContact CE3-CD2 3.41Å; W917-Y936 AromaticContact CE3-CE2 3.73Å; W917-Y936 HydrophobicContact CE3-CE2 3.73Å; W917-Y936 HydrophobicContact CE3-CG 4.05Å; W917-Y936 AromaticContact CZ3-CD2 3.74Å; W917-Y936 HydrophobicContact CZ3-CD2 3.74Å; W917-Y936 AromaticContact CZ3-CE2 3.52Å; W917-Y936 HydrophobicContact CZ3-CE2 3.52Å; W917-Y936 PolarHBondContact N-O 2.9Å; W917-Y936 PolarHBondContact O-N 3.16Å
937	L	92.8	Very high	88.1	Confident	3 Å²	3	67.2 Å²	67.2	2%	0.016	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	132.4	175	-57.1	-176.3	0	0	0	109.7	T887 F889 Y891 I908 L914 E915 L935 I943 L948	T887-L937 WeakPolarHBondContact CB-O 3.3Å; T887-L937 PolarHBondContact OG1-O 3.35Å; F889-L937 HydrophobicContact CB-CB 4.02Å; F889-L937 PolarHBondContact O-N 2.91Å; Y891-L937 HydrophobicContact CD2-CD1 4.27Å; Y891-L937 HydrophobicContact CD2-CG 4.29Å; Y891-L937 HydrophobicContact CE2-CD1 3.52Å; Y891-L937 HydrophobicContact CE2-CG 3.9Å; I908-L937 HydrophobicContact CD1-CD2 4.18Å; L914-L937 HydrophobicContact CD1-CD1 4.36Å; E915-L937 WeakPolarHBondContact O-CA 3.28Å; L935-L937 HydrophobicContact CD1-CD2 3.79Å; L935-L937 HydrophobicContact CD2-CD2 4.1Å; L935-L937 HydrophobicContact CG-CD2 3.93Å; L935-L937 HydrophobicContact CG-CG 4.39Å; L937-I943 HydrophobicContact CD1-CG2 3.55Å; L937-L948 HydrophobicContact CD1-CD1 4.48Å; L937-L948 HydrophobicContact CD1-CD2 4.34Å
938	S	87.3	Confident	88.6	Confident	17 Å²	17	63.8 Å²	63.8	12%	0.119	32%	0.32	C	S	.	.			trans	-78.5	153.4	172.9	-174.8	0	0	0	0	110.9	E915	E915-S938 PolarHBondContact O-N 3.32Å
939	G	78.9	Confident	88.8	Confident	22 Å²	22	62.3 Å²	62.3	23%	0.227	31%	0.313	C	S	.	.	S	Bend	trans	86.2	-167.4	176.9	0	0	0	0	0	114.9	F889	F889-G939 WeakPolarHBondContact CD2-O 3.38Å; F889-G939 WeakPolarHBondContact CE2-O 3.4Å
940	N	69.3	Low	88.8	Confident	153 Å²	153	61 Å²	61	82%	0.818	32%	0.317	S	S	*	.	S	Bend	trans	-108.7	5.9	-171.3	-71.6	-11.9	0	0	0	114.7
941	K	71.9	Confident	88.7	Confident	166 Å²	166	61.2 Å²	61.2	72%	0.722	32%	0.316	S	S	*	.			trans	-84.5	119.7	-177.6	-70.2	-176.1	179.1	179.6	0	110.5
942	T	75.9	Confident	88.7	Confident	109 Å²	109	59.5 Å²	59.5	67%	0.669	31%	0.309	S	S	*	.			trans	-71.7	144.2	162.4	45.9	0	0	0	0	109.4	F889	F889-T942 HydrophobicContact CD1-CG2 4.29Å; F889-T942 HydrophobicContact CE1-CG2 3.54Å; F889-T942 HydrophobicContact CZ-CG2 4.39Å
943	I	86.4	Confident	88.5	Confident	21 Å²	21	53.9 Å²	53.9	11%	0.108	29%	0.288	C	S	.	.			trans	-130.8	140.3	173.2	-177.7	163.7	0	0	0	107.8	L912 L914 L937 L947 L948	L912-I943 HydrophobicContact CD1-CD1 3.73Å; L912-I943 HydrophobicContact CD2-CD1 4.38Å; L914-I943 HydrophobicContact CD1-CD1 3.68Å; L937-I943 HydrophobicContact CD1-CG2 3.55Å; I943-L947 HydrophobicContact CD1-CB 4.36Å; I943-L947 HydrophobicContact CD1-CD2 3.79Å; I943-L947 HydrophobicContact CD1-CG 4.09Å; I943-L947 HydrophobicContact CG1-CB 4.11Å; I943-L947 HydrophobicContact CG1-CD2 3.88Å; I943-L947 HydrophobicContact CG1-CG 4.28Å; I943-L948 HydrophobicContact CB-CG 4.36Å; I943-L948 HydrophobicContact CD1-CD2 4.01Å; I943-L948 HydrophobicContact CD1-CG 4.08Å; I943-L948 HydrophobicContact CG1-CD2 4.46Å; I943-L948 HydrophobicContact CG1-CG 4.04Å; I943-L948 HydrophobicContact CG2-CD1 3.5Å; I943-L948 HydrophobicContact CG2-CD2 3.78Å; I943-L948 HydrophobicContact CG2-CG 3.47Å; I943-L948 VanDerWaalsContact CG2-CG 3.47Å
944	S	90.5	Very high	88.3	Confident	67 Å²	67	55 Å²	55	47%	0.469	29%	0.293	S	S	.	.			trans	-66.2	146.9	178.8	71	0	0	0	0	110.3	D946 L947 L948	S944-D946 PolarHBondContact O-N 2.66Å; S944-L947 PolarHBondContact O-N 2.97Å; S944-L947 WeakPolarHBondContact OG-CB 3.44Å; S944-L947 PolarHBondContact OG-N 3.11Å; S944-L948 PolarHBondContact O-N 3.4Å
945	I	91.3	Very high	88.1	Confident	64 Å²	64	53.6 Å²	53.6	33%	0.328	29%	0.288	S	S	.	.	H	α-helix	trans	-61.1	-38.5	179.3	-71.8	172.8	0	0	0	110.8	I865 L948 K949	I865-I945 HydrophobicContact CB-CG2 3.94Å; I865-I945 HydrophobicContact CG2-CG2 4.21Å; I945-L948 PolarHBondContact O-N 3.15Å; I945-K949 WeakPolarHBondContact O-CB 3.28Å; I945-K949 PolarHBondContact O-N 3.03Å
946	D	91.1	Very high	87.7	Confident	129 Å²	129	53.6 Å²	53.6	69%	0.69	29%	0.288	S	S	*	.	H	α-helix	trans	-65.7	-39.9	179	-62.5	-39.3	0	0	0	111.9	S944 K949 S950	S944-D946 PolarHBondContact O-N 2.66Å; D946-K949 PolarHBondContact O-N 3.37Å; D946-S950 PolarHBondContact O-N 2.9Å; D946-S950 VanDerWaalsContact O-N 3.16Å; D946-S950 PolarHBondContact O-OG 3.43Å
947	L	91.2	Very high	87.2	Confident	63 Å²	63	54 Å²	54	33%	0.33	29%	0.29	S	S	.	.	H	α-helix	trans	-67.5	-42.6	175.2	-167.8	68.9	0	0	0	111.2	L912 I943 S944 K949 S950 Y951	L912-L947 HydrophobicContact CD2-CD2 4.13Å; L912-L947 HydrophobicContact CD2-CG 4.33Å; I943-L947 HydrophobicContact CD1-CB 4.36Å; I943-L947 HydrophobicContact CD1-CD2 3.79Å; I943-L947 HydrophobicContact CD1-CG 4.09Å; I943-L947 HydrophobicContact CG1-CB 4.11Å; I943-L947 HydrophobicContact CG1-CD2 3.88Å; I943-L947 HydrophobicContact CG1-CG 4.28Å; S944-L947 PolarHBondContact O-N 2.97Å; S944-L947 WeakPolarHBondContact OG-CB 3.44Å; S944-L947 PolarHBondContact OG-N 3.11Å; L947-K949 VanDerWaalsContact C-N 3.28Å; L947-K949 PolarHBondContact O-N 3.38Å; L947-S950 PolarHBondContact O-N 2.89Å; L947-S950 PolarHBondContact O-OG 3.07Å; L947-S950 VanDerWaalsContact O-OG 3.1Å; L947-Y951 HydrophobicContact CD1-CD2 3.73Å; L947-Y951 HydrophobicContact CD1-CE2 3.28Å; L947-Y951 HydrophobicContact CG-CD2 4.1Å; L947-Y951 HydrophobicContact CG-CE2 4.1Å; L947-Y951 WeakPolarHBondContact O-CD2 3.29Å; L947-Y951 PolarHBondContact O-N 3.22Å
948	L	91.2	Very high	86.6	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-58.4	-43.1	173.3	-83.3	174.6	0	0	0	111.9	I865 Y891 L914 L935 L937 I943 S944 I945 S950 Y951 I952	I865-L948 HydrophobicContact CD1-CB 4.22Å; Y891-L948 HydrophobicContact CD1-CD1 3.78Å; Y891-L948 HydrophobicContact CD2-CD1 4.2Å; Y891-L948 HydrophobicContact CE1-CD1 3.58Å; Y891-L948 HydrophobicContact CE2-CD1 4.04Å; Y891-L948 HydrophobicContact CG-CD1 4.09Å; L914-L948 HydrophobicContact CD1-CD2 4.39Å; L935-L948 HydrophobicContact CD2-CD2 4.24Å; L937-L948 HydrophobicContact CD1-CD1 4.48Å; L937-L948 HydrophobicContact CD1-CD2 4.34Å; I943-L948 HydrophobicContact CB-CG 4.36Å; I943-L948 HydrophobicContact CD1-CD2 4.01Å; I943-L948 HydrophobicContact CD1-CG 4.08Å; I943-L948 HydrophobicContact CG1-CD2 4.46Å; I943-L948 HydrophobicContact CG1-CG 4.04Å; I943-L948 HydrophobicContact CG2-CD1 3.5Å; I943-L948 HydrophobicContact CG2-CD2 3.78Å; I943-L948 HydrophobicContact CG2-CG 3.47Å; I943-L948 VanDerWaalsContact CG2-CG 3.47Å; S944-L948 PolarHBondContact O-N 3.4Å; I945-L948 PolarHBondContact O-N 3.15Å; L948-S950 VanDerWaalsContact C-N 3.31Å; L948-S950 PolarHBondContact O-N 3.34Å; L948-Y951 PolarHBondContact O-N 3.12Å; L948-I952 HydrophobicContact CB-CD1 4.47Å; L948-I952 WeakPolarHBondContact O-CD1 3.13Å; L948-I952 VanDerWaalsContact O-CG1 3.25Å; L948-I952 WeakPolarHBondContact O-CG1 3.37Å; L948-I952 PolarHBondContact O-N 2.91Å; L948-I952 VanDerWaalsContact O-N 3.1Å
949	K	91.4	Very high	86.4	Confident	104 Å²	104	53.5 Å²	53.5	45%	0.452	29%	0.288	S	S	.	.	H	α-helix	trans	-63.9	-35.5	-177.7	-169.7	177.4	178.8	-177.8	0	112.5	I865 I945 D946 L947	I865-K949 HydrophobicContact CD1-CB 3.89Å; I865-K949 HydrophobicContact CD1-CG 4.35Å; I945-K949 WeakPolarHBondContact O-CB 3.28Å; I945-K949 PolarHBondContact O-N 3.03Å; D946-K949 PolarHBondContact O-N 3.37Å; L947-K949 VanDerWaalsContact C-N 3.28Å; L947-K949 PolarHBondContact O-N 3.38Å
950	S	89.8	Confident	86.6	Confident	79 Å²	79	52.6 Å²	52.6	55%	0.552	28%	0.278	S	S	*	.	H	α-helix	trans	-81.1	-20	179.4	53	0	0	0	0	114.2	D946 L947 L948	D946-S950 PolarHBondContact O-N 2.9Å; D946-S950 VanDerWaalsContact O-N 3.16Å; D946-S950 PolarHBondContact O-OG 3.43Å; L947-S950 PolarHBondContact O-N 2.89Å; L947-S950 PolarHBondContact O-OG 3.07Å; L947-S950 VanDerWaalsContact O-OG 3.1Å; L948-S950 VanDerWaalsContact C-N 3.31Å; L948-S950 PolarHBondContact O-N 3.34Å
951	Y	93	Very high	86.8	Confident	74 Å²	74	49.5 Å²	49.5	29%	0.29	26%	0.261	S	S	.	.	H	α-helix	trans	-106	-5.7	-176.5	-76.5	-108	0	0	0	114.3	D909 L912 L947 L948	D909-Y951 HydrophobicContact CB-CD1 3.65Å; D909-Y951 HydrophobicContact CB-CG 4.3Å; D909-Y951 WeakPolarHBondContact CB-O 3.02Å; D909-Y951 PolarHBondContact N-O 2.97Å; D909-Y951 WeakPolarHBondContact OD2-CD1 3.46Å; L912-Y951 HydrophobicContact CD1-CD1 3.79Å; L912-Y951 HydrophobicContact CD1-CD2 4.39Å; L912-Y951 HydrophobicContact CD1-CG 3.6Å; L912-Y951 HydrophobicContact CD2-CD1 3.64Å; L912-Y951 HydrophobicContact CD2-CD2 4.4Å; L912-Y951 HydrophobicContact CD2-CE1 3.73Å; L912-Y951 HydrophobicContact CD2-CE2 4.5Å; L912-Y951 HydrophobicContact CD2-CG 3.99Å; L912-Y951 HydrophobicContact CG-CD1 3.41Å; L912-Y951 VanDerWaalsContact CG-CD1 3.41Å; L912-Y951 HydrophobicContact CG-CE1 3.98Å; L912-Y951 HydrophobicContact CG-CG 3.78Å; L947-Y951 HydrophobicContact CD1-CD2 3.73Å; L947-Y951 HydrophobicContact CD1-CE2 3.28Å; L947-Y951 HydrophobicContact CG-CD2 4.1Å; L947-Y951 HydrophobicContact CG-CE2 4.1Å; L947-Y951 WeakPolarHBondContact O-CD2 3.29Å; L947-Y951 PolarHBondContact O-N 3.22Å; L948-Y951 PolarHBondContact O-N 3.12Å
952	I	94.6	Very high	86.7	Confident	13 Å²	13	43.5 Å²	43.5	7%	0.067	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	124.4	169.6	-65.6	158.7	0	0	0	109.4	I862 I865 L893 L906 N907 I908 L935 L948	I862-I952 HydrophobicContact CD1-CB 3.49Å; I862-I952 VanDerWaalsContact CD1-CB 3.49Å; I862-I952 HydrophobicContact CD1-CD1 4.1Å; I862-I952 HydrophobicContact CD1-CG1 4.42Å; I862-I952 HydrophobicContact CD1-CG2 3.48Å; I862-I952 VanDerWaalsContact CD1-CG2 3.48Å; I865-I952 HydrophobicContact CD1-CD1 3.79Å; L893-I952 HydrophobicContact CD2-CD1 3.69Å; L906-I952 HydrophobicContact CD2-CG2 4.32Å; N907-I952 CarbonylContact O-C 3.51Å; N907-I952 WeakPolarHBondContact O-CA 3.4Å; I908-I952 HydrophobicContact CG1-CG1 3.78Å; L935-I952 HydrophobicContact CD2-CD1 4.26Å; L948-I952 HydrophobicContact CB-CD1 4.47Å; L948-I952 WeakPolarHBondContact O-CD1 3.13Å; L948-I952 VanDerWaalsContact O-CG1 3.25Å; L948-I952 WeakPolarHBondContact O-CG1 3.37Å; L948-I952 PolarHBondContact O-N 2.91Å; L948-I952 VanDerWaalsContact O-N 3.1Å
953	W	90.7	Very high	85.9	Confident	14 Å²	14	46 Å²	46	5%	0.053	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	141.4	175.1	-56.7	-20.7	0	0	0	110.2	I661 R662 S665 L906 N907 D909	I661-W953 HydrophobicContact CB-CH2 4.39Å; I661-W953 HydrophobicContact CG2-CH2 3.71Å; I661-W953 HydrophobicContact CG2-CZ3 4.16Å; R662-W953 HydrophobicContact CG-CH2 4.29Å; R662-W953 HydrophobicContact CG-CZ2 4.2Å; R662-W953 VanDerWaalsContact NH1-CB 3.32Å; S665-W953 VanDerWaalsContact OG-CZ3 3.28Å; S665-W953 WeakPolarHBondContact OG-CZ3 3.13Å; L906-W953 CarbonylContact C-O 3.44Å; L906-W953 WeakPolarHBondContact CA-O 3.49Å; N907-W953 PolarHBondContact N-O 2.87Å; N907-W953 PolarHBondContact O-N 3.02Å; D909-W953 HydrophobicContact CB-CD2 4.42Å; D909-W953 HydrophobicContact CB-CH2 3.81Å; D909-W953 HydrophobicContact CB-CZ2 3.35Å; D909-W953 HydrophobicContact CB-CZ3 4.48Å; D909-W953 WeakPolarHBondContact OD2-CZ2 3.49Å
954	I	91.8	Very high	84.4	Confident	22 Å²	22	53.5 Å²	53.5	11%	0.113	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	117.1	171.2	-50.1	176.8	0	0	0	107.9	L860 I862 I895 I904 H905 L906	L860-I954 HydrophobicContact CD1-CG2 4.38Å; L860-I954 HydrophobicContact CD2-CB 4.4Å; L860-I954 HydrophobicContact CD2-CG2 3.43Å; L860-I954 VanDerWaalsContact CD2-CG2 3.43Å; L860-I954 HydrophobicContact CG-CB 4.46Å; L860-I954 HydrophobicContact CG-CD1 4.37Å; L860-I954 HydrophobicContact CG-CG2 3.79Å; I862-I954 HydrophobicContact CG1-CD1 3.8Å; I862-I954 HydrophobicContact CG1-CG1 4.41Å; I895-I954 HydrophobicContact CG2-CD1 3.98Å; I904-I954 HydrophobicContact CG2-CG2 3.64Å; H905-I954 WeakPolarHBondContact O-CA 3.35Å; L906-I954 HydrophobicContact CG-CG1 4.39Å
955	E	90.3	Very high	82.4	Confident	5 Å²	5	55.9 Å²	55.9	2%	0.023	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	146.7	167.7	-61.7	-59.5	163.3	0	0	109.6	R662 Y669 H905 T959	R662-E955 IonicContact NH1-OE1 2.58Å; R662-E955 PolarHBondContact NH1-OE1 2.95Å; Y669-E955 HydrophobicContact CD2-CB 3.86Å; Y669-E955 HydrophobicContact CE2-CB 4.12Å; Y669-E955 HydrophobicContact CG-CB 4.09Å; H905-E955 PolarHBondContact N-O 2.75Å; H905-E955 PolarHBondContact O-N 2.83Å; E955-T959 WeakPolarHBondContact CA-OG1 3.15Å; E955-T959 PolarHBondContact OE2-OG1 3.44Å
956	S	88.9	Confident	81.9	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.276	C	S	.	.			trans	-147.5	172.9	169.2	68.2	0	0	0	0	108.2	Y669 L902 A958 T959	Y669-S956 VanDerWaalsContact OH-C 3.23Å; L902-S956 WeakPolarHBondContact O-CB 3.39Å; S956-A958 PolarHBondContact O-N 3.34Å; S956-A958 VanDerWaalsContact O-N 3.16Å; S956-A958 PolarHBondContact OG-N 2.73Å; S956-T959 PolarHBondContact N-OG1 3.44Å; S956-T959 PolarHBondContact O-N 2.82Å; S956-T959 VanDerWaalsContact O-N 3.11Å; S956-T959 PolarHBondContact O-OG1 2.71Å; S956-T959 WeakPolarHBondContact OG-CG2 3.13Å; S956-T959 PolarHBondContact OG-N 3.42Å
957	L	83.4	Confident	81.4	Confident	8 Å²	8	51.6 Å²	51.6	4%	0.042	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-33.7	176.3	-156.9	64.7	0	0	0	112.8	Y669 L673 I849 L902 F903 L960	Y669-L957 PolarHBondContact OH-N 3.14Å; Y669-L957 VanDerWaalsContact OH-N 3.12Å; L673-L957 HydrophobicContact CD2-CD1 4.03Å; I849-L957 HydrophobicContact CB-CD2 4.16Å; I849-L957 HydrophobicContact CB-CG 4.5Å; I849-L957 HydrophobicContact CD1-CD1 3.89Å; I849-L957 HydrophobicContact CD1-CD2 3.98Å; I849-L957 HydrophobicContact CD1-CG 4.44Å; I849-L957 HydrophobicContact CG1-CD1 4.49Å; I849-L957 HydrophobicContact CG1-CD2 3.85Å; I849-L957 HydrophobicContact CG2-CD1 3.55Å; I849-L957 HydrophobicContact CG2-CD2 3.41Å; I849-L957 VanDerWaalsContact CG2-CD2 3.41Å; I849-L957 HydrophobicContact CG2-CG 3.32Å; L902-L957 PolarHBondContact O-N 3.47Å; F903-L957 HydrophobicContact CD2-CD2 4.3Å; L957-L960 HydrophobicContact CD1-CD1 4.13Å
958	A	80.2	Confident	80.9	Confident	9 Å²	9	50.9 Å²	50.9	7%	0.074	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-33.8	179	0	0	0	0	0	113.2	W852 S956 L960	W852-A958 HydrophobicContact CG-CB 4.31Å; S956-A958 PolarHBondContact O-N 3.34Å; S956-A958 VanDerWaalsContact O-N 3.16Å; S956-A958 PolarHBondContact OG-N 2.73Å; A958-L960 PolarHBondContact O-N 3.47Å
959	T	83.2	Confident	80.3	Confident	2 Å²	2	53.9 Å²	53.9	1%	0.012	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-74.1	-18.3	-175.4	64.1	0	0	0	0	111.4	R666 E955 S956 N961 M962 L965	R666-T959 PolarHBondContact NH2-O 3.1Å; E955-T959 WeakPolarHBondContact CA-OG1 3.15Å; E955-T959 PolarHBondContact OE2-OG1 3.44Å; S956-T959 PolarHBondContact N-OG1 3.44Å; S956-T959 PolarHBondContact O-N 2.82Å; S956-T959 VanDerWaalsContact O-N 3.11Å; S956-T959 PolarHBondContact O-OG1 2.71Å; S956-T959 WeakPolarHBondContact OG-CG2 3.13Å; S956-T959 PolarHBondContact OG-N 3.42Å; T959-N961 PolarHBondContact O-N 3.11Å; T959-N961 VanDerWaalsContact O-N 3.15Å; T959-M962 PolarHBondContact O-N 3.13Å; T959-L965 VanDerWaalsContact CB-CD1 3.45Å; T959-L965 HydrophobicContact CG2-CD1 3.47Å; T959-L965 VanDerWaalsContact CG2-CD1 3.47Å
960	L	82.2	Confident	79.6	Confident	3 Å²	3	50.8 Å²	50.8	2%	0.016	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-59.6	-24.5	-178.8	-69.1	-173.3	0	0	0	115.2	I651 P654 A655 R666 Y669 I670 L957 A958	I651-L960 HydrophobicContact CG2-CD1 3.52Å; P654-L960 HydrophobicContact CB-CD2 4.26Å; A655-L960 PolarHBondContact N-O 2.98Å; R666-L960 PolarHBondContact NH2-O 2.92Å; Y669-L960 HydrophobicContact CD1-CD2 3.75Å; Y669-L960 HydrophobicContact CD1-CG 4.44Å; Y669-L960 HydrophobicContact CE1-CD1 4.05Å; Y669-L960 HydrophobicContact CE1-CD2 3.88Å; Y669-L960 HydrophobicContact CE1-CG 4.07Å; I670-L960 HydrophobicContact CG2-CD1 3.93Å; I670-L960 HydrophobicContact CG2-CD2 3.94Å; L957-L960 HydrophobicContact CD1-CD1 4.13Å; A958-L960 PolarHBondContact O-N 3.47Å
961	N	74.2	Confident	78.9	Confident	88 Å²	88	48.9 Å²	48.9	47%	0.471	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-98.5	-4.8	176.5	-68	-26.7	0	0	0	113.3	T959	T959-N961 PolarHBondContact O-N 3.11Å; T959-N961 VanDerWaalsContact O-N 3.15Å
962	M	69.9	Low	77.9	Confident	39 Å²	39	47.1 Å²	47.1	19%	0.192	23%	0.229	C	C	.	.			trans	-83.2	129.3	-178.6	-61.7	-175.4	172.5	0	0	110.6	R657 R666 S856 K858 T959 L965	R657-M962 PolarHBondContact NE-O 2.94Å; R657-M962 PolarHBondContact NH2-O 2.85Å; R666-M962 PolarHBondContact NH1-O 2.73Å; R666-M962 PolarHBondContact NH2-O 3.27Å; S856-M962 WeakPolarHBondContact O-CE 3.36Å; K858-M962 HydrophobicContact CB-CE 4.24Å; T959-M962 PolarHBondContact O-N 3.13Å; M962-L965 HydrophobicContact CB-CD1 4.06Å; M962-L965 HydrophobicContact CB-CG 4.11Å; M962-L965 HydrophobicContact SD-CD1 3.86Å; M962-L965 HydrophobicContact SD-CD2 3.67Å; M962-L965 HydrophobicContact SD-CG 3.68Å
963	K	59.4	Low	76.6	Confident	163 Å²	163	49.8 Å²	49.8	71%	0.709	24%	0.242	S	C	*	.	S	Bend	trans	-83.1	-30.3	172.9	-72	-172.6	177	-175	0	112.3	A655 R657	A655-K963 HydrophobicContact CB-CG 4.2Å; R657-K963 VanDerWaalsContact CD-O 3.26Å; R657-K963 WeakPolarHBondContact CD-O 3.23Å; R657-K963 PolarHBondContact NE-O 2.91Å; R657-K963 PolarHBondContact NH1-O 2.71Å
964	E	53.7	Low	75.4	Confident	177 Å²	177	52.8 Å²	52.8	83%	0.827	26%	0.258	S	S	*	.			trans	-131.1	132.5	178.2	-70.7	177.6	175.6	0	0	108.9	R657	R657-E964 VanDerWaalsContact NH1-CA 3.29Å
965	L	48	Very low	73.9	Confident	117 Å²	117	55.5 Å²	55.5	61%	0.613	27%	0.271	S	S	*	.			trans	-137.7	0	173.7	-98.6	160.8	0	0	0	108.3	T959 M962	T959-L965 VanDerWaalsContact CB-CD1 3.45Å; T959-L965 HydrophobicContact CG2-CD1 3.47Å; T959-L965 VanDerWaalsContact CG2-CD1 3.47Å; M962-L965 HydrophobicContact CB-CD1 4.06Å; M962-L965 HydrophobicContact CB-CG 4.11Å; M962-L965 HydrophobicContact SD-CD1 3.86Å; M962-L965 HydrophobicContact SD-CD2 3.67Å; M962-L965 HydrophobicContact SD-CG 3.68Å

Retrieved 965 of 965 residues in 916.8 ms (Link to these results)

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