A0A077ZFB2_TRITR Loading...

AAA 10 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZFB2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,014 aa.

						>A0A077ZFB2_TRITR|A0A077ZFB2
MNINRIIFAIEDCISTLSRYSVSAFFPDYCDLHTVIGLDQQDRERRPWLKAPYIATTKQGYYLSVFEISGALKEMDENPDQTAPGTLESLIAALAERMNTAWKNSGHKISFVFERDPERGRDEIEAMLLPQRKSIARTGILLQDVLDEKVTTLTPWLVRERCWLTVWSSEELLSRTDRKNHQTRVRKLAEHAPPARFAQDPWRWTLSALKIRHDALLDTLEQALTHDSDGLLIRLMDIHEVGREIRRQLERNSTPAVWQPHLPEDARPAGWRQGGDTSVFHAPSLNLQLFTTQPETHGSLIQAGELWHGMVAITLPPQNLRTFNQLVRDVPRAIPWRIRMDLMPDGMKALGVKKTLLTYSSFIPPLRPMYDSVMMLNDINKHDPVCIMTIVATTWGNSREVCTRNQALLKSALEGWGVCGTTTTFGDPRRAWVNTVLAASHSSGPIPLYPPLSHALSLFPLNRAGSVWRGQGNLMMHTEDGSAWEVALASSQQNKHTELTPGAPGLGKSVLINALSEIQIASAQKNLPFIAYIDKGFSAQGLVQLIRDSLPEQRKDEAVGIILSNDPDHTRNLFDVMYGARKPVTPEKNFMVSVLCALCVDTGTGQPCNPGDTRQIISSLVDLAFREYGENNPRLYRAGTEPLVDLALEESGIAEQHDAGWWNAATWFEIRDMLHIAGNIPAAQRAHYQAMPLLAEMSALLGQPSIRDVFGTVQRDNSEERLLDYIRRALDQGHSDYPMMSGCTRFMLSPDTRVVAVDLNNVAGDKTPAGRLRTGIMYLLAGQIAGGDFVLPQYQEEIRKNLDPRYHEVIFRRIEQLDQEVKTKVYDELHNAKGINFIWEALDTQELEQRKFGIRTVLSTQLLQHYPPAVLKSANTLWLLRYRPDEIPFLRDNFGVPEVTLRRFLKMPEGAAPDGSGVPVLAVFRVKNGTLARILKFTLGPLELWALNSSPKDSALRRALTQEVGSLRARQILAEHFPRGSATSLIEHRARTHDSENVIHELAAELIRKQGYNL
					

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(Predicted Aligned Error values between residue pairs)

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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	47.5	Very low	64.2	Low	209 Å²	209	116.3 Å²	116.3	100%	1.03	58%	0.575	S	S	*	*				0	112.6	0	-150.3	158.4	88.3	0	0	106.7	I3 I6	M1-I3 PolarHBondContact O-N 3.19Å; M1-I3 VanDerWaalsContact O-N 3.13Å; M1-I6 HydrophobicContact CE-CD1 3.34Å; M1-I6 HydrophobicContact CE-CG1 4.25Å; M1-I6 HydrophobicContact CG-CD1 4.23Å
2	N	55.2	Low	64.3	Low	109 Å²	109	115.5 Å²	115.5	58%	0.583	58%	0.575	S	S	*	*			trans	-70.3	110.8	-167.3	-156.1	-14	0	0	0	108.9	N4 R5	N2-N4 PolarHBondContact O-N 3.45Å; N2-R5 WeakPolarHBondContact O-CB 3.46Å; N2-R5 PolarHBondContact O-N 2.9Å
3	I	67.1	Low	64.3	Low	120 Å²	120	111.8 Å²	111.8	62%	0.615	57%	0.565	S	S	*	*	H	α-helix	trans	-49.5	-35.8	-177.5	-77.9	164.9	0	0	0	111	M1 R5 I6 I7	M1-I3 PolarHBondContact O-N 3.19Å; M1-I3 VanDerWaalsContact O-N 3.13Å; I3-R5 PolarHBondContact O-N 3.21Å; I3-I6 PolarHBondContact O-N 3.05Å; I3-I7 HydrophobicContact CG2-CD1 3.64Å; I3-I7 HydrophobicContact CG2-CG1 4.27Å; I3-I7 WeakPolarHBondContact O-CG1 3.44Å; I3-I7 PolarHBondContact O-N 3.21Å
4	N	64.8	Low	64.1	Low	96 Å²	96	111.4 Å²	111.4	51%	0.513	56%	0.564	S	S	.	*	H	α-helix	trans	-60	-39.1	175.7	-68.5	-11.1	0	0	0	113.2	N2 I6 I7 F8	N2-N4 PolarHBondContact O-N 3.45Å; N4-I6 VanDerWaalsContact C-N 3.34Å; N4-I6 PolarHBondContact O-N 3.18Å; N4-I7 PolarHBondContact O-N 2.96Å; N4-F8 HydrophobicContact CB-CD2 4.39Å; N4-F8 HydrophobicContact CB-CE2 4.39Å; N4-F8 WeakPolarHBondContact O-CB 3.33Å; N4-F8 WeakPolarHBondContact O-CD2 3.2Å; N4-F8 WeakPolarHBondContact O-CG 3.48Å; N4-F8 PolarHBondContact O-N 3.02Å
5	R	64.4	Low	63.3	Low	204 Å²	204	105.9 Å²	105.9	77%	0.77	54%	0.54	S	S	*	.	H	α-helix	trans	-66.8	-34.6	177.2	-93.5	-173.4	173.3	178	-1.4	112.6	N2 I3 A9	N2-R5 WeakPolarHBondContact O-CB 3.46Å; N2-R5 PolarHBondContact O-N 2.9Å; I3-R5 PolarHBondContact O-N 3.21Å; R5-A9 VanDerWaalsContact O-CB 3.26Å; R5-A9 WeakPolarHBondContact O-CB 3.29Å; R5-A9 PolarHBondContact O-N 3.35Å
6	I	70.1	Confident	62.4	Low	68 Å²	68	103.4 Å²	103.4	35%	0.349	53%	0.532	S	S	.	.	H	α-helix	trans	-72.7	-43.7	178	-60.3	170.2	0	0	0	109.6	M1 I3 N4 A9 I10	M1-I6 HydrophobicContact CE-CD1 3.34Å; M1-I6 HydrophobicContact CE-CG1 4.25Å; M1-I6 HydrophobicContact CG-CD1 4.23Å; I3-I6 PolarHBondContact O-N 3.05Å; N4-I6 VanDerWaalsContact C-N 3.34Å; N4-I6 PolarHBondContact O-N 3.18Å; I6-A9 PolarHBondContact O-N 2.83Å; I6-I10 HydrophobicContact CG2-CD1 3.75Å; I6-I10 HydrophobicContact CG2-CG1 4.37Å; I6-I10 WeakPolarHBondContact O-CB 3.46Å; I6-I10 VanDerWaalsContact O-CG1 3.24Å; I6-I10 WeakPolarHBondContact O-CG1 3.43Å; I6-I10 PolarHBondContact O-N 3.38Å
7	I	69.8	Low	61.6	Low	80 Å²	80	103.2 Å²	103.2	41%	0.41	53%	0.531	S	S	.	.	H	α-helix	trans	-60.9	-48.5	175.1	-66.8	172.7	0	0	0	110.2	I3 N4 A9 I10 E11	I3-I7 HydrophobicContact CG2-CD1 3.64Å; I3-I7 HydrophobicContact CG2-CG1 4.27Å; I3-I7 WeakPolarHBondContact O-CG1 3.44Å; I3-I7 PolarHBondContact O-N 3.21Å; N4-I7 PolarHBondContact O-N 2.96Å; I7-A9 VanDerWaalsContact C-N 3.34Å; I7-A9 PolarHBondContact O-N 3.22Å; I7-I10 PolarHBondContact O-N 3.17Å; I7-E11 HydrophobicContact CG2-CG 4.32Å; I7-E11 WeakPolarHBondContact O-CB 3.29Å; I7-E11 WeakPolarHBondContact O-CG 3.3Å; I7-E11 PolarHBondContact O-N 3.32Å
8	F	66.7	Low	61	Low	131 Å²	131	100.5 Å²	100.5	58%	0.575	52%	0.523	S	S	*	.	H	α-helix	trans	-60.7	-40.5	176.5	-81.3	-60	0	0	0	112.6	N4 E11 D12	N4-F8 HydrophobicContact CB-CD2 4.39Å; N4-F8 HydrophobicContact CB-CE2 4.39Å; N4-F8 WeakPolarHBondContact O-CB 3.33Å; N4-F8 WeakPolarHBondContact O-CD2 3.2Å; N4-F8 WeakPolarHBondContact O-CG 3.48Å; N4-F8 PolarHBondContact O-N 3.02Å; F8-E11 PolarHBondContact O-N 3.06Å; F8-D12 VanDerWaalsContact O-CB 3.31Å; F8-D12 WeakPolarHBondContact O-CB 3.4Å; F8-D12 PolarHBondContact O-N 3Å
9	A	67.1	Low	60.1	Low	59 Å²	59	102.7 Å²	102.7	49%	0.488	52%	0.523	S	S	.	.	H	α-helix	trans	-68.4	-35.8	176.8	0	0	0	0	0	112.5	R5 I6 I7 C13	R5-A9 VanDerWaalsContact O-CB 3.26Å; R5-A9 WeakPolarHBondContact O-CB 3.29Å; R5-A9 PolarHBondContact O-N 3.35Å; I6-A9 PolarHBondContact O-N 2.83Å; I7-A9 VanDerWaalsContact C-N 3.34Å; I7-A9 PolarHBondContact O-N 3.22Å; A9-C13 WeakPolarHBondContact O-CB 3.21Å; A9-C13 PolarHBondContact O-N 3.2Å
10	I	71.2	Confident	59.5	Low	92 Å²	92	107.2 Å²	107.2	47%	0.472	54%	0.535	S	S	.	.	H	α-helix	trans	-69.4	-43.5	174.2	-70.3	170.1	0	0	0	110.1	I6 I7 C13 I14	I6-I10 HydrophobicContact CG2-CD1 3.75Å; I6-I10 HydrophobicContact CG2-CG1 4.37Å; I6-I10 WeakPolarHBondContact O-CB 3.46Å; I6-I10 VanDerWaalsContact O-CG1 3.24Å; I6-I10 WeakPolarHBondContact O-CG1 3.43Å; I6-I10 PolarHBondContact O-N 3.38Å; I7-I10 PolarHBondContact O-N 3.17Å; I10-C13 PolarHBondContact O-N 3.46Å; I10-I14 HydrophobicContact CG2-CD1 3.63Å; I10-I14 HydrophobicContact CG2-CG1 4.3Å; I10-I14 WeakPolarHBondContact O-CB 3.31Å; I10-I14 VanDerWaalsContact O-CG1 3.22Å; I10-I14 WeakPolarHBondContact O-CG1 3.21Å; I10-I14 PolarHBondContact O-N 2.85Å
11	E	62.5	Low	58.8	Low	111 Å²	111	106.1 Å²	106.1	52%	0.519	54%	0.538	S	S	.	.	H	α-helix	trans	-63.1	-43.7	175	-77.1	-177.5	163.9	0	0	111.6	I7 F8 I14 S15	I7-E11 HydrophobicContact CG2-CG 4.32Å; I7-E11 WeakPolarHBondContact O-CB 3.29Å; I7-E11 WeakPolarHBondContact O-CG 3.3Å; I7-E11 PolarHBondContact O-N 3.32Å; F8-E11 PolarHBondContact O-N 3.06Å; E11-I14 PolarHBondContact O-N 2.97Å; E11-S15 WeakPolarHBondContact O-CA 3.35Å; E11-S15 WeakPolarHBondContact O-CB 3.38Å; E11-S15 PolarHBondContact O-N 2.92Å
12	D	65.6	Low	58.8	Low	107 Å²	107	99 Å²	99	57%	0.572	51%	0.506	S	S	*	.	H	α-helix	trans	-65.4	-39.2	174.4	-92.8	-12.5	0	0	0	111.2	F8 S15 T16	F8-D12 VanDerWaalsContact O-CB 3.31Å; F8-D12 WeakPolarHBondContact O-CB 3.4Å; F8-D12 PolarHBondContact O-N 3Å; D12-S15 PolarHBondContact O-N 2.96Å; D12-T16 WeakPolarHBondContact O-CB 3.44Å; D12-T16 PolarHBondContact O-N 3.46Å; D12-T16 PolarHBondContact O-OG1 3.07Å
13	C	64.2	Low	58.4	Low	67 Å²	67	99.1 Å²	99.1	45%	0.453	52%	0.515	S	S	.	.	H	α-helix	trans	-67.9	-42.5	176.7	-168.2	0	0	0	0	111.4	A9 I10 T16 L17	A9-C13 WeakPolarHBondContact O-CB 3.21Å; A9-C13 PolarHBondContact O-N 3.2Å; I10-C13 PolarHBondContact O-N 3.46Å; C13-T16 PolarHBondContact O-N 2.62Å; C13-L17 WeakPolarHBondContact O-CA 3.27Å; C13-L17 WeakPolarHBondContact O-CB 3.3Å; C13-L17 VanDerWaalsContact O-CG 3.28Å; C13-L17 WeakPolarHBondContact O-CG 3.26Å; C13-L17 PolarHBondContact O-N 2.9Å
14	I	61.8	Low	58.2	Low	106 Å²	106	95 Å²	95	54%	0.544	50%	0.499	S	S	.	.	H	α-helix	trans	-67.8	-39.4	174.9	-69	169.7	0	0	0	110.9	I10 E11 S18	I10-I14 HydrophobicContact CG2-CD1 3.63Å; I10-I14 HydrophobicContact CG2-CG1 4.3Å; I10-I14 WeakPolarHBondContact O-CB 3.31Å; I10-I14 VanDerWaalsContact O-CG1 3.22Å; I10-I14 WeakPolarHBondContact O-CG1 3.21Å; I10-I14 PolarHBondContact O-N 2.85Å; E11-I14 PolarHBondContact O-N 2.97Å; I14-S18 WeakPolarHBondContact O-CB 3.47Å; I14-S18 PolarHBondContact O-N 3.23Å; I14-S18 PolarHBondContact O-OG 3.22Å
15	S	50.9	Low	58.9	Low	29 Å²	29	96.3 Å²	96.3	20%	0.203	50%	0.501	C	S	.	.	H	α-helix	trans	-64.1	-44.4	174.1	179.5	0	0	0	0	110.9	E11 D12 S18 R19	E11-S15 WeakPolarHBondContact O-CA 3.35Å; E11-S15 WeakPolarHBondContact O-CB 3.38Å; E11-S15 PolarHBondContact O-N 2.92Å; D12-S15 PolarHBondContact O-N 2.96Å; S15-S18 WeakPolarHBondContact CA-OG 3.4Å; S15-S18 PolarHBondContact O-OG 2.92Å; S15-R19 VanDerWaalsContact O-CB 3.22Å; S15-R19 WeakPolarHBondContact O-CB 3.35Å; S15-R19 WeakPolarHBondContact O-CG 3.26Å; S15-R19 PolarHBondContact O-N 3.39Å
16	T	49.9	Very low	60.1	Low	67 Å²	67	87.2 Å²	87.2	41%	0.411	47%	0.467	S	S	.	.	H	α-helix	trans	-70.5	-44.7	178.3	-55.5	0	0	0	0	111	D12 C13 R19 Y20	D12-T16 WeakPolarHBondContact O-CB 3.44Å; D12-T16 PolarHBondContact O-N 3.46Å; D12-T16 PolarHBondContact O-OG1 3.07Å; C13-T16 PolarHBondContact O-N 2.62Å; T16-R19 PolarHBondContact O-N 3.32Å; T16-Y20 HydrophobicContact CG2-CD2 3.64Å; T16-Y20 HydrophobicContact CG2-CE2 3.96Å; T16-Y20 WeakPolarHBondContact O-CB 3.46Å; T16-Y20 WeakPolarHBondContact O-CD2 3.42Å; T16-Y20 PolarHBondContact O-N 2.87Å
17	L	49.1	Very low	61.1	Low	99 Å²	99	84.4 Å²	84.4	52%	0.518	45%	0.453	S	S	.	.	H	α-helix	trans	-62.1	-47.6	173.8	-79.4	163.3	0	0	0	110.2	C13 R19 Y20 S21	C13-L17 WeakPolarHBondContact O-CA 3.27Å; C13-L17 WeakPolarHBondContact O-CB 3.3Å; C13-L17 VanDerWaalsContact O-CG 3.28Å; C13-L17 WeakPolarHBondContact O-CG 3.26Å; C13-L17 PolarHBondContact O-N 2.9Å; L17-R19 VanDerWaalsContact C-N 3.3Å; L17-R19 PolarHBondContact O-N 3.12Å; L17-Y20 PolarHBondContact O-N 3.42Å; L17-S21 WeakPolarHBondContact O-CA 3.29Å; L17-S21 WeakPolarHBondContact O-CB 3.4Å; L17-S21 PolarHBondContact O-N 3.18Å; L17-S21 PolarHBondContact O-OG 3.05Å
18	S	49.4	Very low	62	Low	55 Å²	55	84.5 Å²	84.5	39%	0.385	45%	0.454	S	S	.	.	H	α-helix	trans	-62	-36.7	175.6	66	0	0	0	0	112.7	I14 S15 V22	I14-S18 WeakPolarHBondContact O-CB 3.47Å; I14-S18 PolarHBondContact O-N 3.23Å; I14-S18 PolarHBondContact O-OG 3.22Å; S15-S18 WeakPolarHBondContact CA-OG 3.4Å; S15-S18 PolarHBondContact O-OG 2.92Å; S18-V22 WeakPolarHBondContact O-CG2 3.49Å
19	R	44.5	Very low	63.2	Low	142 Å²	142	78.8 Å²	78.8	54%	0.536	43%	0.429	S	S	.	.	H	α-helix	trans	-67.6	-39.8	175.5	-78.7	174.7	-173.3	168.8	5.3	113.3	S15 T16 L17	S15-R19 VanDerWaalsContact O-CB 3.22Å; S15-R19 WeakPolarHBondContact O-CB 3.35Å; S15-R19 WeakPolarHBondContact O-CG 3.26Å; S15-R19 PolarHBondContact O-N 3.39Å; T16-R19 PolarHBondContact O-N 3.32Å; L17-R19 VanDerWaalsContact C-N 3.3Å; L17-R19 PolarHBondContact O-N 3.12Å
20	Y	48	Very low	64.5	Low	193 Å²	193	76 Å²	76	76%	0.757	41%	0.406	S	S	*	.	H	α-helix	trans	-100.7	-30.8	-173.5	-78.6	-79.7	0	0	0	114.9	T16 L17 V22	T16-Y20 HydrophobicContact CG2-CD2 3.64Å; T16-Y20 HydrophobicContact CG2-CE2 3.96Å; T16-Y20 WeakPolarHBondContact O-CB 3.46Å; T16-Y20 WeakPolarHBondContact O-CD2 3.42Å; T16-Y20 PolarHBondContact O-N 2.87Å; L17-Y20 PolarHBondContact O-N 3.42Å; Y20-V22 VanDerWaalsContact C-N 3.31Å
21	S	45.9	Very low	65.5	Low	84 Å²	84	72.7 Å²	72.7	59%	0.587	39%	0.389	S	S	*	.	H	α-helix	trans	-78.6	-14.9	179.7	69	0	0	0	0	113.4	L17	L17-S21 WeakPolarHBondContact O-CA 3.29Å; L17-S21 WeakPolarHBondContact O-CB 3.4Å; L17-S21 PolarHBondContact O-N 3.18Å; L17-S21 PolarHBondContact O-OG 3.05Å
22	V	46.7	Very low	67	Low	61 Å²	61	67.6 Å²	67.6	37%	0.37	37%	0.365	S	S	.	.			trans	-107	64.5	177.5	-165.4	0	0	0	0	109.2	S18 Y20 A24 R429	S18-V22 WeakPolarHBondContact O-CG2 3.49Å; Y20-V22 VanDerWaalsContact C-N 3.31Å; V22-A24 HydrophobicContact CG1-CB 3.59Å; V22-A24 PolarHBondContact O-N 3Å; V22-R429 PolarHBondContact O-NH2 2.94Å
23	S	47.2	Very low	68.4	Low	110 Å²	110	63.4 Å²	63.4	77%	0.769	34%	0.342	S	S	*	.			trans	-71.6	62.5	152.5	72.5	0	0	0	0	108	F25	S23-F25 PolarHBondContact O-N 3.45Å
24	A	62.2	Low	69.8	Low	35 Å²	35	60.2 Å²	60.2	29%	0.289	32%	0.321	S	S	.	.			trans	-64.2	133.9	176.5	0	0	0	0	0	108.6	V22 F26 Y29	V22-A24 HydrophobicContact CG1-CB 3.59Å; V22-A24 PolarHBondContact O-N 3Å; A24-F26 PolarHBondContact O-N 3.09Å; A24-Y29 HydrophobicContact CB-CE2 3.82Å
25	F	80.5	Confident	71.5	Confident	123 Å²	123	55.3 Å²	55.3	54%	0.539	30%	0.296	S	S	.	.			trans	-54.7	121.8	170.5	-178.7	-125.2	0	0	0	108.9	S23 P27 D28 L287	S23-F25 PolarHBondContact O-N 3.45Å; F25-P27 VanDerWaalsContact C-CD 3.48Å; F25-P27 VanDerWaalsContact C-N 3.32Å; F25-P27 HydrophobicContact CD1-CB 3.89Å; F25-P27 HydrophobicContact CD1-CG 3.88Å; F25-P27 HydrophobicContact CD2-CG 4.42Å; F25-P27 HydrophobicContact CE1-CB 3.56Å; F25-P27 HydrophobicContact CE1-CG 3.4Å; F25-P27 HydrophobicContact CE2-CG 3.98Å; F25-P27 HydrophobicContact CG-CG 4.37Å; F25-P27 HydrophobicContact CZ-CB 4.15Å; F25-P27 HydrophobicContact CZ-CG 3.46Å; F25-P27 VanDerWaalsContact CZ-CG 3.46Å; F25-D28 WeakPolarHBondContact O-CB 3.36Å; F25-D28 PolarHBondContact O-N 3.45Å; F25-L287 HydrophobicContact CE1-CD2 3.74Å; F25-L287 HydrophobicContact CZ-CD2 4.12Å
26	F	88.8	Confident	73.5	Confident	13 Å²	13	54.3 Å²	54.3	6%	0.057	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-56.9	-36.7	-170.1	-174.6	-118.6	0	0	0	114.3	A24 D28 Y29 L249 F290 T292 P294 W432 V433	A24-F26 PolarHBondContact O-N 3.09Å; F26-D28 PolarHBondContact O-N 2.76Å; F26-Y29 AromaticContact CD2-CD2 3.89Å; F26-Y29 HydrophobicContact CD2-CD2 3.89Å; F26-Y29 HydrophobicContact CD2-CE2 4.44Å; F26-Y29 HydrophobicContact CD2-CG 4.29Å; F26-Y29 HydrophobicContact CE2-CD2 4.48Å; F26-Y29 HydrophobicContact CE2-CG 4.44Å; F26-Y29 WeakPolarHBondContact O-CB 3.4Å; F26-Y29 WeakPolarHBondContact O-CD2 3.47Å; F26-Y29 PolarHBondContact O-N 2.74Å; F26-L249 HydrophobicContact CZ-CD2 4.41Å; F26-F290 HydrophobicContact CD1-CB 4.03Å; F26-F290 AromaticContact CD1-CD1 3.67Å; F26-F290 HydrophobicContact CD1-CD1 3.67Å; F26-F290 HydrophobicContact CD1-CG 4.28Å; F26-F290 HydrophobicContact CD2-CD1 4.41Å; F26-F290 HydrophobicContact CE1-CB 4.15Å; F26-F290 AromaticContact CE1-CD1 3.29Å; F26-F290 HydrophobicContact CE1-CD1 3.29Å; F26-F290 AromaticContact CE1-CE1 3.89Å; F26-F290 HydrophobicContact CE1-CE1 3.89Å; F26-F290 AromaticContact CE1-CG 3.99Å; F26-F290 HydrophobicContact CE1-CG 3.99Å; F26-F290 HydrophobicContact CE2-CD1 4.06Å; F26-F290 HydrophobicContact CE2-CE1 4.12Å; F26-F290 HydrophobicContact CG-CD1 4.23Å; F26-F290 AromaticContact CZ-CD1 3.49Å; F26-F290 HydrophobicContact CZ-CD1 3.49Å; F26-F290 VanDerWaalsContact CZ-CD1 3.49Å; F26-F290 AromaticContact CZ-CE1 3.6Å; F26-F290 HydrophobicContact CZ-CE1 3.6Å; F26-T292 WeakPolarHBondContact CD1-O 3.34Å; F26-P294 HydrophobicContact CD1-CG 4.07Å; F26-P294 HydrophobicContact CD2-CG 3.51Å; F26-P294 HydrophobicContact CE1-CG 3.97Å; F26-P294 HydrophobicContact CE2-CG 3.44Å; F26-P294 VanDerWaalsContact CE2-CG 3.44Å; F26-P294 HydrophobicContact CG-CG 3.84Å; F26-P294 HydrophobicContact CZ-CG 3.69Å; F26-W432 HydrophobicContact CE1-CZ3 4.46Å; F26-W432 HydrophobicContact CE2-CE3 4.5Å; F26-W432 HydrophobicContact CE2-CZ3 4.2Å; F26-W432 HydrophobicContact CZ-CE3 4.24Å; F26-W432 AromaticContact CZ-CZ3 3.61Å; F26-W432 HydrophobicContact CZ-CZ3 3.61Å; F26-V433 HydrophobicContact CE2-CG2 3.95Å; F26-V433 HydrophobicContact CZ-CG2 4.15Å
27	P	90.3	Very high	75.6	Confident	9 Å²	9	52.7 Å²	52.7	6%	0.058	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-57.2	-18.4	172.2	-29.6	36.6	0	0	0	116.4	F25 Y29 C30 N286 L287 F290	F25-P27 VanDerWaalsContact C-CD 3.48Å; F25-P27 VanDerWaalsContact C-N 3.32Å; F25-P27 HydrophobicContact CD1-CB 3.89Å; F25-P27 HydrophobicContact CD1-CG 3.88Å; F25-P27 HydrophobicContact CD2-CG 4.42Å; F25-P27 HydrophobicContact CE1-CB 3.56Å; F25-P27 HydrophobicContact CE1-CG 3.4Å; F25-P27 HydrophobicContact CE2-CG 3.98Å; F25-P27 HydrophobicContact CG-CG 4.37Å; F25-P27 HydrophobicContact CZ-CB 4.15Å; F25-P27 HydrophobicContact CZ-CG 3.46Å; F25-P27 VanDerWaalsContact CZ-CG 3.46Å; P27-Y29 PolarHBondContact O-N 3.25Å; P27-C30 PolarHBondContact O-N 3.08Å; P27-N286 WeakPolarHBondContact O-CB 3.1Å; P27-N286 PolarHBondContact O-ND2 3.19Å; P27-N286 VanDerWaalsContact O-ND2 3.07Å; P27-L287 HydrophobicContact CB-CD2 3.9Å; P27-L287 HydrophobicContact CG-CD2 4.23Å; P27-F290 HydrophobicContact CB-CB 4.31Å; P27-F290 HydrophobicContact CG-CB 4.32Å; P27-F290 WeakPolarHBondContact CG-O 3.43Å
28	D	89.2	Confident	77.7	Confident	82 Å²	82	49.1 Å²	49.1	44%	0.439	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-77.9	-9.4	175.5	-71	-36.5	0	0	0	113.2	F25 F26 K58	F25-D28 WeakPolarHBondContact O-CB 3.36Å; F25-D28 PolarHBondContact O-N 3.45Å; F26-D28 PolarHBondContact O-N 2.76Å; D28-K58 IonicContact OD1-NZ 3.76Å; D28-K58 PolarHBondContact OD1-NZ 3Å
29	Y	91.8	Very high	79.6	Confident	11 Å²	11	49.3 Å²	49.3	4%	0.043	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-74.7	-18.6	169.7	-74.3	-99.8	0	0	0	112.7	A24 F26 P27 D427 R429 R430 V433	A24-Y29 HydrophobicContact CB-CE2 3.82Å; F26-Y29 AromaticContact CD2-CD2 3.89Å; F26-Y29 HydrophobicContact CD2-CD2 3.89Å; F26-Y29 HydrophobicContact CD2-CE2 4.44Å; F26-Y29 HydrophobicContact CD2-CG 4.29Å; F26-Y29 HydrophobicContact CE2-CD2 4.48Å; F26-Y29 HydrophobicContact CE2-CG 4.44Å; F26-Y29 WeakPolarHBondContact O-CB 3.4Å; F26-Y29 WeakPolarHBondContact O-CD2 3.47Å; F26-Y29 PolarHBondContact O-N 2.74Å; P27-Y29 PolarHBondContact O-N 3.25Å; Y29-D427 WeakPolarHBondContact CE1-OD2 3.43Å; Y29-D427 VanDerWaalsContact CZ-OD2 3.3Å; Y29-D427 PolarHBondContact OH-OD2 3Å; Y29-R429 HydrophobicContact CD1-CB 4.32Å; Y29-R429 HydrophobicContact CE1-CB 3.73Å; Y29-R429 PolarHBondContact OH-NE 2.84Å; Y29-R429 PolarHBondContact OH-NH2 3.13Å; Y29-R430 HydrophobicContact CD1-CB 4.33Å; Y29-R430 HydrophobicContact CE1-CB 3.95Å; Y29-R430 PolarHBondContact O-NH1 3.48Å; Y29-V433 HydrophobicContact CD1-CG2 4.39Å; Y29-V433 HydrophobicContact CG-CG2 4.49Å
30	C	93.9	Very high	81.8	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.269	C	S	.	.			trans	-97.3	122.9	173.8	-176	0	0	0	0	110.6	P27 L32 N286 F290 A439	P27-C30 PolarHBondContact O-N 3.08Å; C30-L32 VanDerWaalsContact C-N 3.33Å; C30-N286 HydrophobicContact CB-CB 3.75Å; C30-N286 WeakPolarHBondContact O-CB 3.5Å; C30-F290 HydrophobicContact CB-CD1 3.99Å; C30-F290 HydrophobicContact CB-CD2 3.42Å; C30-F290 VanDerWaalsContact CB-CD2 3.42Å; C30-F290 HydrophobicContact CB-CE1 3.97Å; C30-F290 HydrophobicContact CB-CE2 3.4Å; C30-F290 HydrophobicContact CB-CG 3.76Å; C30-F290 HydrophobicContact CB-CZ 3.71Å; C30-A439 VanDerWaalsContact CA-O 3.3Å; C30-A439 WeakPolarHBondContact CA-O 3.31Å; C30-A439 PolarHBondContact SG-O 2.79Å; C30-A439 VanDerWaalsContact SG-O 3.37Å
31	D	92.1	Very high	83.8	Confident	23 Å²	23	45.9 Å²	45.9	12%	0.123	26%	0.259	C	S	.	.			trans	-84.5	-13.6	-176.6	-60.4	-27.5	0	0	0	112.1	H33 T57 K58 A439 S440 H441	D31-H33 PolarHBondContact O-N 3.13Å; D31-T57 HydrophobicContact CB-CG2 3.87Å; D31-T57 CarbonylContact O-C 3.57Å; D31-T57 WeakPolarHBondContact O-CA 3.28Å; D31-T57 WeakPolarHBondContact O-CB 3.4Å; D31-K58 PolarHBondContact O-N 3.41Å; D31-A439 PolarHBondContact N-O 3.04Å; D31-S440 PolarHBondContact OD2-OG 3.42Å; D31-H441 PolarHBondContact OD2-N 2.79Å
32	L	95	Very high	86.1	Confident	3 Å²	3	42.1 Å²	42.1	2%	0.016	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	129.4	-174.8	-58.9	-174.7	0	0	0	111.6	C30 A55 T57 L63 I245 L285 N286 L289	C30-L32 VanDerWaalsContact C-N 3.33Å; L32-A55 HydrophobicContact CD2-CB 4.42Å; L32-T57 HydrophobicContact CD2-CG2 4.5Å; L32-L63 HydrophobicContact CD1-CD2 4.45Å; L32-L63 HydrophobicContact CD2-CD2 3.33Å; L32-I245 HydrophobicContact CD1-CD1 3.49Å; L32-I245 VanDerWaalsContact CD1-CD1 3.49Å; L32-L285 HydrophobicContact CB-CB 3.98Å; L32-L285 HydrophobicContact CB-CD1 4.41Å; L32-N286 WeakPolarHBondContact O-CB 3.34Å; L32-N286 PolarHBondContact O-N 3Å; L32-N286 PolarHBondContact O-OD1 3.41Å; L32-L289 HydrophobicContact CD1-CD1 3.82Å
33	H	93.9	Very high	88.2	Confident	19 Å²	19	46.6 Å²	46.6	9%	0.088	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	-55.5	-173.3	-170	66.4	0	0	0	112.9	D31 T56 K58 A198 Q199 W204 S284 L285	D31-H33 PolarHBondContact O-N 3.13Å; H33-T56 PolarHBondContact N-O 3.48Å; H33-K58 HydrophobicContact CB-CG 4.16Å; H33-A198 PolarHBondContact NE2-O 3.35Å; H33-Q199 WeakPolarHBondContact O-CG 3.48Å; H33-W204 AromaticContact CD2-CE2 3.9Å; H33-W204 AromaticContact CD2-CH2 3Å; H33-W204 WeakPolarHBondContact CD2-CH2 3.31Å; H33-W204 AromaticContact CD2-CZ2 3.27Å; H33-W204 WeakPolarHBondContact CD2-CZ2 3.34Å; H33-W204 AromaticContact CD2-CZ3 3.36Å; H33-W204 WeakPolarHBondContact CD2-CZ3 3.47Å; H33-W204 AromaticContact NE2-CH2 2.98Å; H33-W204 WeakPolarHBondContact NE2-CH2 3.25Å; H33-W204 AromaticContact NE2-CZ2 3.58Å; H33-W204 AromaticContact NE2-CZ3 3.59Å; H33-S284 WeakPolarHBondContact O-CA 3.24Å; H33-L285 PolarHBondContact O-N 3.42Å
34	T	95	Very high	90.4	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	-169.4	-177.3	-171.8	0	0	0	0	111.1	A55 T56 Q199 P201 W204	T34-A55 CarbonylContact O-C 3.38Å; T34-A55 WeakPolarHBondContact O-CA 3.41Å; T34-T56 WeakPolarHBondContact CG2-OG1 3.49Å; T34-T56 PolarHBondContact N-O 2.93Å; T34-T56 PolarHBondContact O-N 3.42Å; T34-Q199 WeakPolarHBondContact OG1-CB 3.4Å; T34-Q199 PolarHBondContact OG1-OE1 3.35Å; T34-P201 WeakPolarHBondContact OG1-CG 3.45Å; T34-W204 HydrophobicContact CG2-CD2 3.94Å; T34-W204 HydrophobicContact CG2-CE3 3.25Å; T34-W204 HydrophobicContact CG2-CZ3 3.66Å
35	V	96.3	Very high	91.6	Very high	3 Å²	3	51.2 Å²	51.2	2%	0.018	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	161.2	177.9	-59	0	0	0	0	112.6	P52 I54 P201 I238 L262 P263 L285	V35-P52 HydrophobicContact CB-CB 3.96Å; V35-P52 HydrophobicContact CG2-CB 4Å; V35-P52 HydrophobicContact CG2-CG 4.02Å; V35-I54 CarbonylContact C-O 3.17Å; V35-I54 VanDerWaalsContact CA-O 3.22Å; V35-I54 WeakPolarHBondContact CA-O 3.4Å; V35-I54 WeakPolarHBondContact CB-O 3.47Å; V35-P201 WeakPolarHBondContact O-CB 3.38Å; V35-I238 HydrophobicContact CG1-CB 3.98Å; V35-I238 HydrophobicContact CG1-CG1 3.9Å; V35-I238 HydrophobicContact CG1-CG2 3.69Å; V35-L262 HydrophobicContact CG1-CD2 3.82Å; V35-L262 HydrophobicContact CG2-CB 4.49Å; V35-P263 VanDerWaalsContact CG2-CD 3.43Å; V35-P263 HydrophobicContact CG2-CG 3.92Å; V35-L285 HydrophobicContact CG1-CD1 4.08Å
36	I	94.7	Very high	92.2	Very high	9 Å²	9	45.7 Å²	45.7	5%	0.046	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	120	166.2	-54.1	-57.2	0	0	0	108.3	P52 I54 T56 Y62	I36-P52 WeakPolarHBondContact O-CB 3.38Å; I36-I54 HydrophobicContact CB-CB 4.09Å; I36-I54 HydrophobicContact CB-CG2 4.25Å; I36-I54 HydrophobicContact CG1-CB 4.32Å; I36-I54 HydrophobicContact CG1-CG2 3.91Å; I36-I54 PolarHBondContact N-O 2.93Å; I36-T56 HydrophobicContact CD1-CG2 3.65Å; I36-T56 HydrophobicContact CG1-CG2 3.69Å; I36-Y62 HydrophobicContact CD1-CE1 4.25Å; I36-Y62 WeakPolarHBondContact CD1-OH 3.31Å; I36-Y62 HydrophobicContact CG1-CE1 4.21Å; I36-Y62 HydrophobicContact CG1-CE2 4.05Å
37	G	92.3	Very high	92.3	Very high	32 Å²	32	49.6 Å²	49.6	33%	0.33	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-61.4	156.4	179.8	0	0	0	0	0	113.3	D39	G37-D39 PolarHBondContact O-N 2.89Å
38	L	92.9	Very high	92.3	Very high	25 Å²	25	56.2 Å²	56.2	13%	0.131	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-71.3	120.4	178.8	-60.9	176.9	0	0	0	110.8	D42 Y53	L38-D42 HydrophobicContact CB-CB 4.3Å; L38-D42 HydrophobicContact CD2-CB 4.11Å; L38-Y53 HydrophobicContact CD2-CD1 3.69Å; L38-Y53 HydrophobicContact CD2-CE1 4.03Å
39	D	91	Very high	92.4	Very high	59 Å²	59	53.3 Å²	53.3	32%	0.316	25%	0.252	S	S	.	.			trans	-84.1	178	172.1	68	37.4	0	0	0	112.1	G37 Q41 D42 R43 K210	G37-D39 PolarHBondContact O-N 2.89Å; D39-Q41 VanDerWaalsContact C-N 3.29Å; D39-Q41 PolarHBondContact O-N 2.9Å; D39-Q41 WeakPolarHBondContact OD1-CA 3.41Å; D39-Q41 VanDerWaalsContact OD1-CB 3.3Å; D39-Q41 WeakPolarHBondContact OD1-CB 3.37Å; D39-Q41 PolarHBondContact OD1-N 3.4Å; D39-D42 VanDerWaalsContact CG-OD2 3.31Å; D39-D42 PolarHBondContact N-OD2 2.93Å; D39-D42 PolarHBondContact O-N 3.19Å; D39-D42 VanDerWaalsContact OD1-CG 3.24Å; D39-D42 PolarHBondContact OD1-N 3.23Å; D39-R43 WeakPolarHBondContact O-CG 3.25Å; D39-R43 PolarHBondContact O-N 2.75Å; D39-R43 VanDerWaalsContact O-N 3.16Å; D39-K210 VanDerWaalsContact OD2-CE 3.28Å; D39-K210 WeakPolarHBondContact OD2-CE 3.4Å; D39-K210 IonicContact OD2-NZ 3.67Å; D39-K210 PolarHBondContact OD2-NZ 3.41Å; D39-K210 VanDerWaalsContact OD2-NZ 3.17Å
40	Q	90.8	Very high	92.3	Very high	142 Å²	142	62.1 Å²	62.1	66%	0.664	29%	0.291	S	S	*	.	H	α-helix	trans	-62.9	-38	179.6	-179.4	176.3	-10.6	0	0	111.9	D42 R43 E44	Q40-D42 VanDerWaalsContact C-N 3.31Å; Q40-D42 PolarHBondContact O-N 2.79Å; Q40-R43 PolarHBondContact O-N 2.94Å; Q40-E44 WeakPolarHBondContact CG-OE1 3.44Å; Q40-E44 PolarHBondContact NE2-OE1 3.44Å; Q40-E44 WeakPolarHBondContact O-CG 2.95Å; Q40-E44 PolarHBondContact O-N 3.45Å
41	Q	90.4	Very high	92.3	Very high	120 Å²	120	62.3 Å²	62.3	56%	0.561	29%	0.293	S	S	*	.	H	α-helix	trans	-66.5	-37.2	179.2	-173.3	-179.8	2.4	0	0	110.7	D39 E44 R45	D39-Q41 VanDerWaalsContact C-N 3.29Å; D39-Q41 PolarHBondContact O-N 2.9Å; D39-Q41 WeakPolarHBondContact OD1-CA 3.41Å; D39-Q41 VanDerWaalsContact OD1-CB 3.3Å; D39-Q41 WeakPolarHBondContact OD1-CB 3.37Å; D39-Q41 PolarHBondContact OD1-N 3.4Å; Q41-E44 PolarHBondContact O-N 3.24Å; Q41-R45 WeakPolarHBondContact O-CB 3.36Å; Q41-R45 PolarHBondContact O-N 3.27Å
42	D	93.4	Very high	92.5	Very high	6 Å²	6	61.4 Å²	61.4	3%	0.032	29%	0.288	C	S	.	.	H	α-helix	trans	-62.5	-43.3	174.5	-63.5	-34.3	0	0	0	111.5	L38 D39 Q40 E44 R45 R46 Y53 K210	L38-D42 HydrophobicContact CB-CB 4.3Å; L38-D42 HydrophobicContact CD2-CB 4.11Å; D39-D42 VanDerWaalsContact CG-OD2 3.31Å; D39-D42 PolarHBondContact N-OD2 2.93Å; D39-D42 PolarHBondContact O-N 3.19Å; D39-D42 VanDerWaalsContact OD1-CG 3.24Å; D39-D42 PolarHBondContact OD1-N 3.23Å; Q40-D42 VanDerWaalsContact C-N 3.31Å; Q40-D42 PolarHBondContact O-N 2.79Å; D42-E44 VanDerWaalsContact C-N 3.35Å; D42-R45 PolarHBondContact O-N 3.13Å; D42-R46 CarbonylContact O-C 3.53Å; D42-R46 WeakPolarHBondContact O-CA 3.38Å; D42-R46 WeakPolarHBondContact O-CB 3.25Å; D42-R46 PolarHBondContact O-N 3.46Å; D42-Y53 HydrophobicContact CB-CE1 4.34Å; D42-Y53 PolarHBondContact OD1-OH 3.47Å; D42-Y53 VanDerWaalsContact OD1-OH 3.12Å; D42-K210 VanDerWaalsContact CG-NZ 3.3Å; D42-K210 IonicContact OD1-NZ 3.72Å; D42-K210 PolarHBondContact OD1-NZ 3.41Å; D42-K210 VanDerWaalsContact OD2-CE 3.23Å; D42-K210 WeakPolarHBondContact OD2-CE 3.49Å; D42-K210 IonicContact OD2-NZ 3.99Å; D42-K210 PolarHBondContact OD2-NZ 3.49Å
43	R	91.3	Very high	92.6	Very high	154 Å²	154	61.4 Å²	61.4	58%	0.581	29%	0.288	S	S	*	.	H	α-helix	trans	-66.5	-36.7	178.6	-68.6	173.9	-174.4	-102.1	-1.5	112.4	D39 Q40 P47	D39-R43 WeakPolarHBondContact O-CG 3.25Å; D39-R43 PolarHBondContact O-N 2.75Å; D39-R43 VanDerWaalsContact O-N 3.16Å; Q40-R43 PolarHBondContact O-N 2.94Å; R43-P47 WeakPolarHBondContact O-CA 3.38Å
44	E	92	Very high	92.8	Very high	135 Å²	135	60.5 Å²	60.5	63%	0.631	28%	0.284	S	S	*	.	H	α-helix	trans	-71.8	-41.9	175.7	-72.7	171.5	-170.5	0	0	111.7	Q40 Q41 D42	Q40-E44 WeakPolarHBondContact CG-OE1 3.44Å; Q40-E44 PolarHBondContact NE2-OE1 3.44Å; Q40-E44 WeakPolarHBondContact O-CG 2.95Å; Q40-E44 PolarHBondContact O-N 3.45Å; Q41-E44 PolarHBondContact O-N 3.24Å; D42-E44 VanDerWaalsContact C-N 3.35Å
45	R	88.8	Confident	92.9	Very high	108 Å²	108	60.6 Å²	60.6	41%	0.408	28%	0.284	S	S	.	.	H	α-helix	trans	-80.9	-34.5	-174.6	-168.9	178.8	-168.6	175.6	12.2	113.6	Q41 D42 P47 D218	Q41-R45 WeakPolarHBondContact O-CB 3.36Å; Q41-R45 PolarHBondContact O-N 3.27Å; D42-R45 PolarHBondContact O-N 3.13Å; R45-P47 VanDerWaalsContact C-CD 3.48Å; R45-D218 IonicContact CZ-OD1 3.16Å; R45-D218 IonicContact CZ-OD2 2.7Å; R45-D218 IonicContact NE-OD1 2.71Å; R45-D218 VanDerWaalsContact NH1-CG 3.3Å; R45-D218 IonicContact NH1-OD1 3.96Å; R45-D218 PolarHBondContact NH1-OD1 3.07Å; R45-D218 VanDerWaalsContact NH1-OD1 3.16Å; R45-D218 IonicContact NH1-OD2 2.92Å; R45-D218 PolarHBondContact NH1-OD2 3.37Å; R45-D218 IonicContact NH2-OD1 3.57Å; R45-D218 PolarHBondContact NH2-OD1 3.05Å; R45-D218 IonicContact NH2-OD2 3.04Å; R45-D218 PolarHBondContact NH2-OD2 3.22Å
46	R	91.5	Very high	92.9	Very high	6 Å²	6	60.4 Å²	60.4	2%	0.023	28%	0.283	C	S	.	.			trans	-132.9	61.7	-172.4	-60.1	-179	175.6	158.9	1.9	110.7	D42 W48 L49 Y53 D214 D218 L235	D42-R46 CarbonylContact O-C 3.53Å; D42-R46 WeakPolarHBondContact O-CA 3.38Å; D42-R46 WeakPolarHBondContact O-CB 3.25Å; D42-R46 PolarHBondContact O-N 3.46Å; R46-W48 HydrophobicContact CB-CH2 4.3Å; R46-W48 HydrophobicContact CB-CZ2 4.09Å; R46-W48 HydrophobicContact CG-CH2 4.16Å; R46-W48 HydrophobicContact CG-CZ2 4.01Å; R46-W48 PolarHBondContact O-N 3.27Å; R46-L49 HydrophobicContact CB-CD1 3.66Å; R46-L49 HydrophobicContact CB-CG 4.04Å; R46-L49 HydrophobicContact CG-CD1 4.35Å; R46-L49 PolarHBondContact O-N 3.01Å; R46-L49 VanDerWaalsContact O-N 3.08Å; R46-Y53 PolarHBondContact NH1-OH 2.94Å; R46-D214 IonicContact NH1-OD1 2.7Å; R46-D218 IonicContact NH2-OD1 3.75Å; R46-L235 VanDerWaalsContact CZ-CD2 3.47Å
47	P	91.5	Very high	92.8	Very high	96 Å²	96	60 Å²	60	62%	0.623	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-16.1	-172.8	26.4	-36.8	0	0	0	114.5	R43 R45 L49	R43-P47 WeakPolarHBondContact O-CA 3.38Å; R45-P47 VanDerWaalsContact C-CD 3.48Å; P47-L49 VanDerWaalsContact C-N 3.34Å
48	W	90.4	Very high	92.5	Very high	148 Å²	148	63.2 Å²	63.2	56%	0.561	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-14.7	177.2	61.1	85.6	0	0	0	113.7	R46	R46-W48 HydrophobicContact CB-CH2 4.3Å; R46-W48 HydrophobicContact CB-CZ2 4.09Å; R46-W48 HydrophobicContact CG-CH2 4.16Å; R46-W48 HydrophobicContact CG-CZ2 4.01Å; R46-W48 PolarHBondContact O-N 3.27Å
49	L	91.9	Very high	92.3	Very high	20 Å²	20	68.3 Å²	68.3	11%	0.105	31%	0.309	C	S	.	.			trans	-74.7	126.4	177.4	-69.9	176.6	0	0	0	110.5	R46 P47 Y53 L235	R46-L49 HydrophobicContact CB-CD1 3.66Å; R46-L49 HydrophobicContact CB-CG 4.04Å; R46-L49 HydrophobicContact CG-CD1 4.35Å; R46-L49 PolarHBondContact O-N 3.01Å; R46-L49 VanDerWaalsContact O-N 3.08Å; P47-L49 VanDerWaalsContact C-N 3.34Å; L49-Y53 HydrophobicContact CD1-CD1 3.6Å; L49-Y53 HydrophobicContact CD1-CE1 4.4Å; L49-Y53 HydrophobicContact CD1-CG 4Å; L49-L235 HydrophobicContact CD1-CD2 4.17Å
50	K	88.8	Confident	92.3	Very high	196 Å²	196	65.7 Å²	65.7	85%	0.852	30%	0.296	S	S	*	.			trans	-94.8	-18.6	178.4	-65.3	179.6	-179.3	176.2	0	113.4
51	A	94.7	Very high	92.5	Very high	5 Å²	5	60.9 Å²	60.9	4%	0.041	27%	0.272	C	S	.	.	S	Bend	trans	-143.2	164.9	-174.9	0	0	0	0	0	110.2	D237 H239 L262	A51-D237 HydrophobicContact CB-CB 4.05Å; A51-H239 WeakPolarHBondContact CB-ND1 3.24Å; A51-L262 HydrophobicContact CB-CD1 4.27Å
52	P	96.3	Very high	92.8	Very high	3 Å²	3	55.2 Å²	55.2	2%	0.019	25%	0.246	C	C	.	.			trans	-48.1	141.2	173.6	-32.9	39.4	0	0	0	113.4	V35 I36 I238 L262	V35-P52 HydrophobicContact CB-CB 3.96Å; V35-P52 HydrophobicContact CG2-CB 4Å; V35-P52 HydrophobicContact CG2-CG 4.02Å; I36-P52 WeakPolarHBondContact O-CB 3.38Å; P52-I238 WeakPolarHBondContact O-CG1 3.27Å; P52-I238 PolarHBondContact O-N 2.98Å; P52-L262 HydrophobicContact CG-CD1 4.29Å
53	Y	96.9	Very high	93	Very high	3 Å²	3	55 Å²	55	1%	0.012	24%	0.244	C	C	.	.			trans	-108.9	-11.5	177.2	68.9	-85.8	0	0	0	113.6	L38 D42 R46 L49 S64 K210 D214 L217 L235 I238	L38-Y53 HydrophobicContact CD2-CD1 3.69Å; L38-Y53 HydrophobicContact CD2-CE1 4.03Å; D42-Y53 HydrophobicContact CB-CE1 4.34Å; D42-Y53 PolarHBondContact OD1-OH 3.47Å; D42-Y53 VanDerWaalsContact OD1-OH 3.12Å; R46-Y53 PolarHBondContact NH1-OH 2.94Å; L49-Y53 HydrophobicContact CD1-CD1 3.6Å; L49-Y53 HydrophobicContact CD1-CE1 4.4Å; L49-Y53 HydrophobicContact CD1-CG 4Å; Y53-S64 WeakPolarHBondContact CD2-OG 3.39Å; Y53-S64 PolarHBondContact O-OG 2.82Å; Y53-K210 PolarHBondContact OH-NZ 2.81Å; Y53-D214 VanDerWaalsContact OH-CG 3.24Å; Y53-D214 PolarHBondContact OH-OD1 3.02Å; Y53-D214 PolarHBondContact OH-OD2 3.22Å; Y53-L217 HydrophobicContact CD2-CD1 4.29Å; Y53-L217 HydrophobicContact CE2-CD1 3.83Å; Y53-L235 HydrophobicContact CD2-CD1 4.44Å; Y53-L235 HydrophobicContact CD2-CD2 3.74Å; Y53-L235 HydrophobicContact CD2-CG 4.47Å; Y53-L235 HydrophobicContact CE2-CD2 4.38Å; Y53-L235 HydrophobicContact CG-CD2 3.89Å; Y53-I238 WeakPolarHBondContact O-CD1 3.27Å
54	I	97.6	Very high	93.3	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	119.8	178.2	-54.6	-179.5	0	0	0	109.5	V35 I36 Y62 L63 K210	V35-I54 CarbonylContact C-O 3.17Å; V35-I54 VanDerWaalsContact CA-O 3.22Å; V35-I54 WeakPolarHBondContact CA-O 3.4Å; V35-I54 WeakPolarHBondContact CB-O 3.47Å; I36-I54 HydrophobicContact CB-CB 4.09Å; I36-I54 HydrophobicContact CB-CG2 4.25Å; I36-I54 HydrophobicContact CG1-CB 4.32Å; I36-I54 HydrophobicContact CG1-CG2 3.91Å; I36-I54 PolarHBondContact N-O 2.93Å; I54-Y62 HydrophobicContact CD1-CD2 4.38Å; I54-Y62 HydrophobicContact CG2-CD2 3.83Å; I54-Y62 HydrophobicContact CG2-CE2 4.4Å; I54-Y62 HydrophobicContact CG2-CG 3.93Å; I54-L63 CarbonylContact C-O 3.56Å; I54-L63 VanDerWaalsContact CA-O 3.31Å; I54-L63 WeakPolarHBondContact CA-O 3.33Å; I54-K210 HydrophobicContact CD1-CG 4.02Å
55	A	97.1	Very high	93.6	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.008	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	156.8	164.4	0	0	0	0	0	110.6	L32 T34 L63 I238 L285	L32-A55 HydrophobicContact CD2-CB 4.42Å; T34-A55 CarbonylContact O-C 3.38Å; T34-A55 WeakPolarHBondContact O-CA 3.41Å; A55-L63 HydrophobicContact CB-CB 4.39Å; A55-L63 HydrophobicContact CB-CD2 4.04Å; A55-L63 HydrophobicContact CB-CG 4.49Å; A55-L63 PolarHBondContact N-O 3.39Å; A55-L63 WeakPolarHBondContact O-CB 3.3Å; A55-L63 PolarHBondContact O-N 3.01Å; A55-I238 HydrophobicContact CB-CD1 3.71Å; A55-I238 HydrophobicContact CB-CG1 4.14Å; A55-I238 HydrophobicContact CB-CG2 4.44Å; A55-L285 HydrophobicContact CB-CD1 4.38Å
56	T	96.3	Very high	94	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	143.9	176.6	71.2	0	0	0	0	111.9	H33 T34 I36 Y61 Y62 W204	H33-T56 PolarHBondContact N-O 3.48Å; T34-T56 WeakPolarHBondContact CG2-OG1 3.49Å; T34-T56 PolarHBondContact N-O 2.93Å; T34-T56 PolarHBondContact O-N 3.42Å; I36-T56 HydrophobicContact CD1-CG2 3.65Å; I36-T56 HydrophobicContact CG1-CG2 3.69Å; T56-Y61 CarbonylContact C-O 3.53Å; T56-Y61 WeakPolarHBondContact CA-O 3.37Å; T56-Y62 HydrophobicContact CG2-CD1 3.82Å; T56-Y62 HydrophobicContact CG2-CE1 3.71Å; T56-W204 HydrophobicContact CG2-CB 3.96Å
57	T	93.7	Very high	94.3	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	165.5	173.7	69.7	0	0	0	0	112.5	D31 L32 Q59 G60 Y61 W167 W204	D31-T57 HydrophobicContact CB-CG2 3.87Å; D31-T57 CarbonylContact O-C 3.57Å; D31-T57 WeakPolarHBondContact O-CA 3.28Å; D31-T57 WeakPolarHBondContact O-CB 3.4Å; L32-T57 HydrophobicContact CD2-CG2 4.5Å; T57-Q59 PolarHBondContact O-N 3.14Å; T57-Q59 VanDerWaalsContact O-N 3.13Å; T57-Q59 PolarHBondContact OG1-N 3.36Å; T57-G60 PolarHBondContact O-N 3.07Å; T57-G60 PolarHBondContact OG1-N 2.9Å; T57-Y61 PolarHBondContact N-O 3.06Å; T57-Y61 WeakPolarHBondContact OG1-CB 3.4Å; T57-Y61 PolarHBondContact OG1-N 3.26Å; T57-Y61 VanDerWaalsContact OG1-N 3.08Å; T57-W167 HydrophobicContact CG2-CE3 4.39Å; T57-W167 HydrophobicContact CG2-CZ3 3.65Å; T57-W204 PolarHBondContact O-NE1 2.91Å
58	K	86.2	Confident	94.5	Very high	100 Å²	100	32.4 Å²	32.4	44%	0.435	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-29.6	169.6	-68.8	-177.5	-176.5	172.7	0	112.8	D28 D31 H33	D28-K58 IonicContact OD1-NZ 3.76Å; D28-K58 PolarHBondContact OD1-NZ 3Å; D31-K58 PolarHBondContact O-N 3.41Å; H33-K58 HydrophobicContact CB-CG 4.16Å
59	Q	87.5	Confident	94.6	Very high	132 Å²	132	26.8 Å²	26.8	62%	0.617	13%	0.125	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88	2.5	178.5	-66	179.6	-4.8	0	0	113.8	T57 Y61	T57-Q59 PolarHBondContact O-N 3.14Å; T57-Q59 VanDerWaalsContact O-N 3.13Å; T57-Q59 PolarHBondContact OG1-N 3.36Å; Q59-Y61 HydrophobicContact CB-CD2 3.77Å; Q59-Y61 HydrophobicContact CB-CE2 3.82Å
60	G	90.6	Very high	94.7	Very high	4 Å²	4	25.9 Å²	25.9	4%	0.041	12%	0.121	C	C	.	.			trans	82.6	15.1	177.7	0	0	0	0	0	115.6	T57	T57-G60 PolarHBondContact O-N 3.07Å; T57-G60 PolarHBondContact OG1-N 2.9Å
61	Y	95	Very high	94.9	Very high	41 Å²	41	16.6 Å²	16.6	16%	0.161	8%	0.081	C	C	.	.			trans	-73	136.8	171.7	-70.6	-108.2	0	0	0	110	T56 T57 Q59 S168 H441	T56-Y61 CarbonylContact C-O 3.53Å; T56-Y61 WeakPolarHBondContact CA-O 3.37Å; T57-Y61 PolarHBondContact N-O 3.06Å; T57-Y61 WeakPolarHBondContact OG1-CB 3.4Å; T57-Y61 PolarHBondContact OG1-N 3.26Å; T57-Y61 VanDerWaalsContact OG1-N 3.08Å; Q59-Y61 HydrophobicContact CB-CD2 3.77Å; Q59-Y61 HydrophobicContact CB-CE2 3.82Å; Y61-S168 CarbonylContact C-O 3.59Å; Y61-S168 WeakPolarHBondContact CA-O 3.38Å; Y61-H441 AromaticContact CD1-CD2 3.46Å; Y61-H441 VanDerWaalsContact CD1-CD2 3.46Å; Y61-H441 WeakPolarHBondContact CD1-CD2 3.38Å; Y61-H441 AromaticContact CD1-CG 3.97Å; Y61-H441 AromaticContact CD1-NE2 3.69Å; Y61-H441 AromaticContact CE1-CD2 3.41Å; Y61-H441 VanDerWaalsContact CE1-CD2 3.41Å; Y61-H441 WeakPolarHBondContact CE1-CD2 3.27Å; Y61-H441 AromaticContact CE1-CE1 3.43Å; Y61-H441 VanDerWaalsContact CE1-CE1 3.43Å; Y61-H441 WeakPolarHBondContact CE1-CE1 3.44Å; Y61-H441 AromaticContact CE1-CG 3.9Å; Y61-H441 AromaticContact CE1-ND1 3.89Å; Y61-H441 AromaticContact CE1-NE2 3.1Å; Y61-H441 WeakPolarHBondContact CE1-NE2 3.45Å; Y61-H441 AromaticContact CZ-CE1 3.46Å; Y61-H441 VanDerWaalsContact CZ-CE1 3.46Å; Y61-H441 AromaticContact CZ-ND1 3.74Å; Y61-H441 AromaticContact CZ-NE2 3.67Å; Y61-H441 PolarHBondContact OH-CE1 3.39Å
62	Y	97.3	Very high	94.8	Very high	1 Å²	1	16.5 Å²	16.5	0%	0.004	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	139.6	169.7	-79.5	22.8	0	0	0	109.1	I36 I54 T56 W167 S168 W204 T205 L206 L209 K210 H213	I36-Y62 HydrophobicContact CD1-CE1 4.25Å; I36-Y62 WeakPolarHBondContact CD1-OH 3.31Å; I36-Y62 HydrophobicContact CG1-CE1 4.21Å; I36-Y62 HydrophobicContact CG1-CE2 4.05Å; I54-Y62 HydrophobicContact CD1-CD2 4.38Å; I54-Y62 HydrophobicContact CG2-CD2 3.83Å; I54-Y62 HydrophobicContact CG2-CE2 4.4Å; I54-Y62 HydrophobicContact CG2-CG 3.93Å; T56-Y62 HydrophobicContact CG2-CD1 3.82Å; T56-Y62 HydrophobicContact CG2-CE1 3.71Å; Y62-W167 CarbonylContact O-C 3.54Å; Y62-W167 VanDerWaalsContact O-CA 3.25Å; Y62-W167 WeakPolarHBondContact O-CA 3.26Å; Y62-S168 PolarHBondContact N-O 2.97Å; Y62-S168 PolarHBondContact O-N 3.34Å; Y62-W204 VanDerWaalsContact CE1-O 3.26Å; Y62-W204 WeakPolarHBondContact CE1-O 3.33Å; Y62-W204 PolarHBondContact OH-O 3.43Å; Y62-T205 WeakPolarHBondContact OH-CA 3.34Å; Y62-L206 PolarHBondContact OH-N 3.48Å; Y62-L209 HydrophobicContact CD1-CD2 3.61Å; Y62-L209 HydrophobicContact CD1-CG 4.26Å; Y62-L209 HydrophobicContact CD2-CD2 4.28Å; Y62-L209 HydrophobicContact CD2-CG 4.02Å; Y62-L209 HydrophobicContact CE1-CD2 3.91Å; Y62-L209 HydrophobicContact CE2-CB 4.34Å; Y62-L209 HydrophobicContact CE2-CG 4.31Å; Y62-L209 HydrophobicContact CG-CD2 3.84Å; Y62-L209 HydrophobicContact CG-CG 4Å; Y62-K210 HydrophobicContact CE2-CB 3.94Å; Y62-H213 HydrophobicContact CD2-CB 4.35Å
63	L	97.1	Very high	94.5	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	129.8	-174	165.5	72.5	0	0	0	109.4	L32 I54 A55 V65 T165 V166 W167 A438	L32-L63 HydrophobicContact CD1-CD2 4.45Å; L32-L63 HydrophobicContact CD2-CD2 3.33Å; I54-L63 CarbonylContact C-O 3.56Å; I54-L63 VanDerWaalsContact CA-O 3.31Å; I54-L63 WeakPolarHBondContact CA-O 3.33Å; A55-L63 HydrophobicContact CB-CB 4.39Å; A55-L63 HydrophobicContact CB-CD2 4.04Å; A55-L63 HydrophobicContact CB-CG 4.49Å; A55-L63 PolarHBondContact N-O 3.39Å; A55-L63 WeakPolarHBondContact O-CB 3.3Å; A55-L63 PolarHBondContact O-N 3.01Å; L63-V65 HydrophobicContact CD1-CG2 4.42Å; L63-T165 HydrophobicContact CD1-CG2 3Å; L63-T165 HydrophobicContact CG-CG2 4.43Å; L63-V166 WeakPolarHBondContact CA-O 3.48Å; L63-W167 HydrophobicContact CB-CE3 3.97Å; L63-W167 HydrophobicContact CB-CZ3 3.95Å; L63-W167 HydrophobicContact CD1-CD2 3.81Å; L63-W167 HydrophobicContact CD1-CE3 3.87Å; L63-W167 HydrophobicContact CD1-CH2 3.8Å; L63-W167 HydrophobicContact CD1-CZ2 3.73Å; L63-W167 HydrophobicContact CD1-CZ3 3.85Å; L63-W167 HydrophobicContact CD2-CH2 3.98Å; L63-W167 HydrophobicContact CD2-CZ3 4.06Å; L63-W167 HydrophobicContact CG-CE3 4.42Å; L63-W167 HydrophobicContact CG-CH2 4.36Å; L63-W167 HydrophobicContact CG-CZ3 4.18Å; L63-A438 HydrophobicContact CD1-CB 4.21Å; L63-A438 HydrophobicContact CD2-CB 3.83Å
64	S	98.3	Very high	94.1	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	156.7	165.4	-64	0	0	0	0	110	Y53 V166 H213	Y53-S64 WeakPolarHBondContact CD2-OG 3.39Å; Y53-S64 PolarHBondContact O-OG 2.82Å; S64-V166 PolarHBondContact N-O 3.33Å; S64-V166 PolarHBondContact O-N 3.43Å; S64-H213 WeakPolarHBondContact CB-NE2 3.45Å; S64-H213 PolarHBondContact OG-NE2 3.36Å
65	V	98.4	Very high	93.7	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	127.9	-177.4	-177.9	0	0	0	0	110.3	L63 W163 L164 T165 M236 V241 L437 A438	L63-V65 HydrophobicContact CD1-CG2 4.42Å; V65-W163 HydrophobicContact CG1-CB 4.09Å; V65-W163 HydrophobicContact CG1-CG 4.47Å; V65-L164 WeakPolarHBondContact CA-O 3.01Å; V65-T165 HydrophobicContact CG2-CG2 4.23Å; V65-M236 HydrophobicContact CB-SD 4.36Å; V65-M236 HydrophobicContact CG1-SD 3.71Å; V65-M236 WeakPolarHBondContact O-CB 3.36Å; V65-M236 PolarHBondContact O-N 3.27Å; V65-V241 HydrophobicContact CB-CG2 3.64Å; V65-V241 HydrophobicContact CG1-CG2 4.31Å; V65-V241 HydrophobicContact CG2-CG1 3.88Å; V65-V241 HydrophobicContact CG2-CG2 3.72Å; V65-L437 HydrophobicContact CG1-CD1 3.96Å; V65-L437 HydrophobicContact CG2-CD1 4.48Å; V65-A438 HydrophobicContact CG2-CB 4.04Å
66	F	98	Very high	93.4	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	131.7	163.2	-66.4	-77.2	0	0	0	109.8	W163 L164 V166 L217 E221 R234 L235	F66-W163 CarbonylContact O-C 3.59Å; F66-W163 VanDerWaalsContact O-CA 3.28Å; F66-W163 WeakPolarHBondContact O-CA 3.36Å; F66-L164 HydrophobicContact CB-CB 4.3Å; F66-L164 HydrophobicContact CD2-CD2 4.4Å; F66-L164 PolarHBondContact N-O 2.88Å; F66-L164 PolarHBondContact O-N 3.43Å; F66-V166 HydrophobicContact CD2-CG2 4.27Å; F66-V166 HydrophobicContact CE2-CG2 4.27Å; F66-L217 HydrophobicContact CD2-CD2 4.48Å; F66-L217 HydrophobicContact CE2-CB 4.41Å; F66-L217 HydrophobicContact CE2-CD2 3.56Å; F66-L217 HydrophobicContact CZ-CB 4.11Å; F66-L217 HydrophobicContact CZ-CD2 3.96Å; F66-E221 HydrophobicContact CE1-CB 4.41Å; F66-E221 HydrophobicContact CZ-CB 4.19Å; F66-R234 CarbonylContact C-O 3.57Å; F66-R234 VanDerWaalsContact CA-O 3.31Å; F66-R234 WeakPolarHBondContact CA-O 3.35Å; F66-L235 HydrophobicContact CD1-CB 4.02Å; F66-L235 HydrophobicContact CD1-CD1 4.09Å; F66-L235 HydrophobicContact CE1-CB 3.91Å; F66-L235 HydrophobicContact CE1-CD1 3.92Å; F66-L235 HydrophobicContact CE1-CG 4.48Å; F66-L235 HydrophobicContact CZ-CD1 4.25Å
67	E	96.8	Very high	93.1	Very high	23 Å²	23	21.5 Å²	21.5	11%	0.107	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	132.1	157.8	-177.5	179.8	-167.9	0	0	108.5	I233 R234 M236 R469	E67-I233 CarbonylContact O-C 3.55Å; E67-I233 VanDerWaalsContact O-CA 3.31Å; E67-I233 WeakPolarHBondContact O-CA 3.47Å; E67-R234 PolarHBondContact N-O 2.85Å; E67-R234 PolarHBondContact O-N 2.97Å; E67-R234 IonicContact OE2-CZ 3.64Å; E67-R234 IonicContact OE2-NE 3.36Å; E67-R234 PolarHBondContact OE2-NE 2.81Å; E67-R234 IonicContact OE2-NH2 2.75Å; E67-R234 PolarHBondContact OE2-NH2 3.29Å; E67-M236 HydrophobicContact CB-CG 3.86Å; E67-M236 HydrophobicContact CB-SD 3.86Å; E67-R469 IonicContact OE1-CZ 2.65Å; E67-R469 IonicContact OE1-NE 3.21Å; E67-R469 IonicContact OE1-NH1 2.88Å; E67-R469 PolarHBondContact OE1-NH1 3.16Å
68	I	95.8	Very high	92.8	Very high	2 Å²	2	24.5 Å²	24.5	1%	0.01	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	111.8	175.4	-58.1	-179.4	0	0	0	107.3	G70 F111 C162 L164 L231 I233	I68-G70 VanDerWaalsContact C-N 3.35Å; I68-F111 HydrophobicContact CD1-CD1 4.19Å; I68-F111 HydrophobicContact CD1-CE1 3.31Å; I68-F111 HydrophobicContact CD1-CZ 3.86Å; I68-C162 HydrophobicContact CB-CB 4.07Å; I68-C162 PolarHBondContact N-O 2.94Å; I68-C162 WeakPolarHBondContact O-CB 3.39Å; I68-L164 HydrophobicContact CD1-CB 3.66Å; I68-L164 HydrophobicContact CG1-CB 4.35Å; I68-L231 HydrophobicContact CD1-CD1 4.5Å; I68-L231 HydrophobicContact CG2-CB 4.49Å; I68-L231 HydrophobicContact CG2-CD1 4.1Å; I68-I233 HydrophobicContact CB-CG2 4.46Å; I68-I233 HydrophobicContact CD1-CG2 4.48Å; I68-I233 HydrophobicContact CG1-CG2 3.86Å; I68-I233 HydrophobicContact CG2-CG2 4.35Å
69	S	93.1	Very high	92.7	Very high	30 Å²	30	24 Å²	24	21%	0.21	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	-32.7	175.4	-65.5	0	0	0	0	111.1	L232 G465	S69-L232 PolarHBondContact N-O 2.69Å; S69-G465 WeakPolarHBondContact O-CA 3.39Å
70	G	93.5	Very high	92.6	Very high	2 Å²	2	24.1 Å²	24.1	2%	0.021	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	135.2	-174.5	178.1	0	0	0	0	0	111.9	I68 L232	I68-G70 VanDerWaalsContact C-N 3.35Å; G70-L232 WeakPolarHBondContact O-CB 3.34Å; G70-L232 PolarHBondContact O-N 2.83Å
71	A	93.3	Very high	92.2	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	146.6	178.9	0	0	0	0	0	112.1	K73 M75 L231 R463 G465 R933	A71-K73 WeakPolarHBondContact CB-O 3.33Å; A71-M75 HydrophobicContact CB-CE 3.76Å; A71-L231 HydrophobicContact CB-CD2 3.85Å; A71-R463 PolarHBondContact N-O 2.94Å; A71-G465 PolarHBondContact O-N 3.41Å; A71-R933 PolarHBondContact O-NH2 3.16Å
72	L	91.4	Very high	91.6	Very high	4 Å²	4	31.2 Å²	31.2	2%	0.021	17%	0.173	C	C	.	.	S	Bend	trans	-59.3	-47	174.2	-75.8	168.7	0	0	0	111.4	G230 L232 N928 L931 A932	L72-G230 PolarHBondContact N-O 3.46Å; L72-G230 VanDerWaalsContact N-O 3.12Å; L72-L232 HydrophobicContact CD2-CD1 4.27Å; L72-L232 HydrophobicContact CD2-CD2 3.61Å; L72-L232 HydrophobicContact CD2-CG 4Å; L72-L232 HydrophobicContact CG-CD2 4.17Å; L72-L232 HydrophobicContact CG-CG 4.32Å; L72-N928 WeakPolarHBondContact CD1-O 3.4Å; L72-L931 HydrophobicContact CD2-CD1 3.64Å; L72-L931 HydrophobicContact CD2-CG 3.76Å; L72-L931 VanDerWaalsContact O-CA 3.25Å; L72-L931 WeakPolarHBondContact O-CA 3.36Å; L72-A932 PolarHBondContact O-N 3.34Å
73	K	90.5	Very high	90.9	Very high	15 Å²	15	33.4 Å²	33.4	7%	0.065	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-124.7	167.6	-179	-55.1	175	-164.3	155.8	0	110	A71 D229 G895 P897 T930 A932 R933	A71-K73 WeakPolarHBondContact CB-O 3.33Å; K73-D229 IonicContact NZ-OD1 3.36Å; K73-D229 PolarHBondContact NZ-OD1 3.02Å; K73-G895 PolarHBondContact NZ-O 3.28Å; K73-P897 HydrophobicContact CB-CG 4.13Å; K73-P897 HydrophobicContact CD-CG 4.26Å; K73-T930 WeakPolarHBondContact CE-O 3.47Å; K73-T930 WeakPolarHBondContact CG-O 3.21Å; K73-A932 HydrophobicContact CG-CB 4.25Å; K73-R933 PolarHBondContact O-NH2 3.49Å; K73-R933 VanDerWaalsContact O-NH2 3.09Å
74	E	88.5	Confident	90.1	Very high	13 Å²	13	38.9 Å²	38.9	6%	0.061	23%	0.226	C	C	.	.			trans	-85	112.7	167.6	-171.1	172.7	174.8	0	0	110.9	P897 R903 R933	E74-P897 WeakPolarHBondContact O-CB 3.32Å; E74-P897 VanDerWaalsContact O-CG 3.29Å; E74-P897 WeakPolarHBondContact O-CG 3.45Å; E74-R903 IonicContact OE1-CZ 2.91Å; E74-R903 VanDerWaalsContact OE1-CZ 3.23Å; E74-R903 IonicContact OE1-NH1 3.37Å; E74-R903 PolarHBondContact OE1-NH1 3.28Å; E74-R903 IonicContact OE1-NH2 3.78Å; E74-R903 PolarHBondContact OE1-NH2 3.45Å; E74-R903 IonicContact OE2-CZ 3.91Å; E74-R903 IonicContact OE2-NH1 3.79Å; E74-R903 PolarHBondContact OE2-NH1 3.47Å; E74-R903 IonicContact OE2-NH2 2.88Å; E74-R903 PolarHBondContact OE2-NH2 2.83Å; E74-R933 VanDerWaalsContact CA-NH1 3.3Å; E74-R933 VanDerWaalsContact CB-NH1 3.28Å
75	M	89.8	Confident	89.2	Confident	5 Å²	5	39.8 Å²	39.8	3%	0.025	24%	0.235	C	C	.	.			trans	-75.6	148.3	176.6	-66.1	174	-97.5	0	0	110.8	A71 E77 G85 L87 L90 L461 N462	A71-M75 HydrophobicContact CB-CE 3.76Å; M75-E77 PolarHBondContact O-N 3.27Å; M75-G85 WeakPolarHBondContact CA-O 3.36Å; M75-L87 HydrophobicContact CB-CB 4.18Å; M75-L87 HydrophobicContact SD-CD1 4.43Å; M75-L90 HydrophobicContact CE-CD2 3.67Å; M75-L90 HydrophobicContact SD-CB 4.06Å; M75-L90 HydrophobicContact SD-CD2 3.79Å; M75-L461 WeakPolarHBondContact CE-O 3.41Å; M75-N462 HydrophobicContact CE-CB 4.33Å; M75-N462 PolarHBondContact N-OD1 3.48Å; M75-N462 PolarHBondContact O-ND2 3.12Å
76	D	89.6	Confident	88.7	Confident	44 Å²	44	40.2 Å²	40.2	24%	0.235	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-64.5	129.1	170.3	-164.3	-16.1	0	0	0	110	N78 T86 L87 V899	D76-N78 WeakPolarHBondContact OD1-CB 3.41Å; D76-N78 PolarHBondContact OD1-N 3.38Å; D76-T86 HydrophobicContact CB-CG2 4.14Å; D76-L87 WeakPolarHBondContact O-CB 3.41Å; D76-L87 PolarHBondContact O-N 3Å; D76-V899 HydrophobicContact CB-CB 4.43Å; D76-V899 HydrophobicContact CB-CG1 4.06Å
77	E	91	Very high	88.4	Confident	36 Å²	36	40.8 Å²	40.8	17%	0.168	24%	0.241	C	C	.	.			trans	-95.1	1.5	-177.5	-66.8	-167.8	171.2	0	0	112.7	M75 P79 L87 T322 N324 N462	M75-E77 PolarHBondContact O-N 3.27Å; E77-P79 VanDerWaalsContact O-CD 3.31Å; E77-P79 WeakPolarHBondContact O-CD 3.44Å; E77-L87 HydrophobicContact CG-CD2 4.35Å; E77-T322 HydrophobicContact CB-CG2 3.82Å; E77-T322 HydrophobicContact CG-CG2 3.99Å; E77-T322 PolarHBondContact OE2-OG1 3.29Å; E77-N324 VanDerWaalsContact OE1-CB 3.28Å; E77-N324 WeakPolarHBondContact OE1-CB 3.41Å; E77-N324 PolarHBondContact OE1-ND2 3.06Å; E77-N462 WeakPolarHBondContact CG-ND2 3.32Å; E77-N462 PolarHBondContact OE1-ND2 2.61Å
78	N	88	Confident	88.2	Confident	63 Å²	63	42.5 Å²	42.5	34%	0.337	25%	0.249	S	C	.	.			trans	-68.3	116.8	173.5	-174.7	-1.9	0	0	0	110.5	D76 D80 Q81	D76-N78 WeakPolarHBondContact OD1-CB 3.41Å; D76-N78 PolarHBondContact OD1-N 3.38Å; N78-D80 PolarHBondContact O-N 3.11Å; N78-D80 PolarHBondContact OD1-N 3.27Å; N78-Q81 HydrophobicContact CB-CB 4.44Å; N78-Q81 HydrophobicContact CB-CG 4.07Å; N78-Q81 PolarHBondContact O-N 2.87Å; N78-Q81 VanDerWaalsContact O-N 3.13Å
79	P	83.7	Confident	87.9	Confident	90 Å²	90	43.4 Å²	43.4	58%	0.584	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-21.3	179.9	27.4	-36.2	0	0	0	113.6	E77 Q81	E77-P79 VanDerWaalsContact O-CD 3.31Å; E77-P79 WeakPolarHBondContact O-CD 3.44Å; P79-Q81 PolarHBondContact O-N 2.83Å
80	D	85.5	Confident	87.8	Confident	134 Å²	134	42.1 Å²	42.1	72%	0.717	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-9.4	178.2	-61.5	-33.3	0	0	0	112.9	N78	N78-D80 PolarHBondContact O-N 3.11Å; N78-D80 PolarHBondContact OD1-N 3.27Å
81	Q	82.4	Confident	87.7	Confident	88 Å²	88	42.2 Å²	42.2	41%	0.411	25%	0.246	S	C	.	.			trans	-104.3	112.1	-176.4	-67.5	-69.3	-32.1	0	0	111.1	N78 P79 T86 E88	N78-Q81 HydrophobicContact CB-CB 4.44Å; N78-Q81 HydrophobicContact CB-CG 4.07Å; N78-Q81 PolarHBondContact O-N 2.87Å; N78-Q81 VanDerWaalsContact O-N 3.13Å; P79-Q81 PolarHBondContact O-N 2.83Å; Q81-T86 HydrophobicContact CB-CG2 3.75Å; Q81-T86 VanDerWaalsContact O-CB 3.26Å; Q81-T86 WeakPolarHBondContact O-CB 3.46Å; Q81-T86 WeakPolarHBondContact O-CG2 3.38Å; Q81-T86 PolarHBondContact O-OG1 3.1Å; Q81-E88 WeakPolarHBondContact O-CB 3.26Å
82	T	81.6	Confident	87.6	Confident	106 Å²	106	44.6 Å²	44.6	65%	0.65	27%	0.266	S	S	*	.			trans	-108.1	7.7	-178.4	55.9	0	0	0	0	113.9	E88	T82-E88 HydrophobicContact CG2-CG 3.99Å
83	A	83.3	Confident	87.4	Confident	46 Å²	46	45.2 Å²	45.2	38%	0.38	27%	0.272	S	S	.	.	S	Bend	trans	-67.5	157	179.5	0	0	0	0	0	112.1	G85 T86 S89	A83-G85 PolarHBondContact O-N 3.35Å; A83-T86 HydrophobicContact CB-CG2 4.38Å; A83-T86 WeakPolarHBondContact O-CB 3.39Å; A83-T86 WeakPolarHBondContact O-CG2 3.16Å; A83-T86 PolarHBondContact O-N 3.22Å; A83-T86 VanDerWaalsContact O-N 3.17Å; A83-T86 PolarHBondContact O-OG1 3.29Å; A83-T86 VanDerWaalsContact O-OG1 3.05Å; A83-S89 WeakPolarHBondContact O-CB 3.48Å
84	P	79	Confident	87.5	Confident	115 Å²	115	44.5 Å²	44.5	75%	0.747	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	136.7	170.6	-26.4	35	0	0	0	111.9
85	G	79.2	Confident	87.6	Confident	19 Å²	19	44.7 Å²	44.7	20%	0.196	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	89.1	1.6	-175.7	0	0	0	0	0	115.2	M75 A83	M75-G85 WeakPolarHBondContact CA-O 3.36Å; A83-G85 PolarHBondContact O-N 3.35Å
86	T	88.9	Confident	87.6	Confident	9 Å²	9	51.6 Å²	51.6	6%	0.055	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-93.8	157.1	170.6	76.5	0	0	0	0	111.2	D76 Q81 A83 E88 S89 L90	D76-T86 HydrophobicContact CB-CG2 4.14Å; Q81-T86 HydrophobicContact CB-CG2 3.75Å; Q81-T86 VanDerWaalsContact O-CB 3.26Å; Q81-T86 WeakPolarHBondContact O-CB 3.46Å; Q81-T86 WeakPolarHBondContact O-CG2 3.38Å; Q81-T86 PolarHBondContact O-OG1 3.1Å; A83-T86 HydrophobicContact CB-CG2 4.38Å; A83-T86 WeakPolarHBondContact O-CB 3.39Å; A83-T86 WeakPolarHBondContact O-CG2 3.16Å; A83-T86 PolarHBondContact O-N 3.22Å; A83-T86 VanDerWaalsContact O-N 3.17Å; A83-T86 PolarHBondContact O-OG1 3.29Å; A83-T86 VanDerWaalsContact O-OG1 3.05Å; T86-E88 VanDerWaalsContact C-N 3.26Å; T86-E88 PolarHBondContact O-N 3.3Å; T86-S89 PolarHBondContact O-N 3.19Å; T86-S89 PolarHBondContact OG1-N 2.8Å; T86-S89 VanDerWaalsContact OG1-N 3.12Å; T86-L90 PolarHBondContact O-N 3.24Å
87	L	91.6	Very high	87.6	Confident	13 Å²	13	54.7 Å²	54.7	7%	0.068	31%	0.313	C	S	.	.	H	α-helix	trans	-64.7	-36.6	176.9	177.2	58.7	0	0	0	110.6	M75 D76 E77 S89 L90 I91 T322 L461 N462	M75-L87 HydrophobicContact CB-CB 4.18Å; M75-L87 HydrophobicContact SD-CD1 4.43Å; D76-L87 WeakPolarHBondContact O-CB 3.41Å; D76-L87 PolarHBondContact O-N 3Å; E77-L87 HydrophobicContact CG-CD2 4.35Å; L87-S89 VanDerWaalsContact C-N 3.32Å; L87-S89 PolarHBondContact O-N 3.17Å; L87-L90 PolarHBondContact O-N 3.3Å; L87-I91 HydrophobicContact CD1-CD1 4.22Å; L87-I91 HydrophobicContact CD1-CG1 4.38Å; L87-I91 HydrophobicContact CD2-CD1 4.45Å; L87-I91 HydrophobicContact CG-CD1 3.79Å; L87-I91 HydrophobicContact CG-CG1 4.43Å; L87-I91 VanDerWaalsContact O-CG1 3.32Å; L87-I91 WeakPolarHBondContact O-CG1 3.06Å; L87-I91 PolarHBondContact O-N 3.19Å; L87-T322 HydrophobicContact CD2-CG2 3.84Å; L87-L461 HydrophobicContact CD1-CB 3.94Å; L87-N462 HydrophobicContact CD1-CB 4.39Å
88	E	91.9	Very high	87.5	Confident	59 Å²	59	53.1 Å²	53.1	28%	0.276	31%	0.306	S	S	.	.	H	α-helix	trans	-64.4	-36.6	177.8	-167.2	57.2	-148.7	0	0	112	Q81 T82 T86 L90 I91 A92	Q81-E88 WeakPolarHBondContact O-CB 3.26Å; T82-E88 HydrophobicContact CG2-CG 3.99Å; T86-E88 VanDerWaalsContact C-N 3.26Å; T86-E88 PolarHBondContact O-N 3.3Å; E88-L90 VanDerWaalsContact C-N 3.34Å; E88-L90 PolarHBondContact O-N 2.62Å; E88-I91 PolarHBondContact O-N 3.02Å; E88-A92 WeakPolarHBondContact O-CB 3.38Å; E88-A92 PolarHBondContact O-N 3.45Å
89	S	89.6	Confident	87.4	Confident	21 Å²	21	52 Å²	52	15%	0.147	30%	0.3	C	S	.	.	H	α-helix	trans	-61.1	-42.8	174	174.6	0	0	0	0	111.9	A83 T86 L87 A93	A83-S89 WeakPolarHBondContact O-CB 3.48Å; T86-S89 PolarHBondContact O-N 3.19Å; T86-S89 PolarHBondContact OG1-N 2.8Å; T86-S89 VanDerWaalsContact OG1-N 3.12Å; L87-S89 VanDerWaalsContact C-N 3.32Å; L87-S89 PolarHBondContact O-N 3.17Å; S89-A93 WeakPolarHBondContact O-CB 3.38Å; S89-A93 PolarHBondContact O-N 2.61Å; S89-A93 VanDerWaalsContact O-N 3.08Å
90	L	91.3	Very high	87.4	Confident	3 Å²	3	52.7 Å²	52.7	2%	0.016	30%	0.303	C	S	.	.	H	α-helix	trans	-66.2	-42.8	175.6	178.5	62.8	0	0	0	111.7	M75 T86 L87 E88 A93 L94 H226 L461	M75-L90 HydrophobicContact CE-CD2 3.67Å; M75-L90 HydrophobicContact SD-CB 4.06Å; M75-L90 HydrophobicContact SD-CD2 3.79Å; T86-L90 PolarHBondContact O-N 3.24Å; L87-L90 PolarHBondContact O-N 3.3Å; E88-L90 VanDerWaalsContact C-N 3.34Å; E88-L90 PolarHBondContact O-N 2.62Å; L90-A93 PolarHBondContact O-N 3.29Å; L90-L94 HydrophobicContact CD1-CD1 4.17Å; L90-L94 HydrophobicContact CD1-CG 4.3Å; L90-L94 HydrophobicContact CG-CD1 3.95Å; L90-L94 WeakPolarHBondContact O-CB 3.16Å; L90-L94 VanDerWaalsContact O-CG 3.29Å; L90-L94 WeakPolarHBondContact O-CG 3.44Å; L90-L94 PolarHBondContact O-N 3.11Å; L90-H226 HydrophobicContact CD1-CB 3.52Å; L90-L461 HydrophobicContact CD2-CB 4.17Å
91	I	92.6	Very high	87.4	Confident	3 Å²	3	47.6 Å²	47.6	2%	0.015	28%	0.279	C	S	.	.	H	α-helix	trans	-61.5	-46.7	177.7	-69.8	161.6	0	0	0	110.6	L87 E88 A93 L94 A95 L456 L461	L87-I91 HydrophobicContact CD1-CD1 4.22Å; L87-I91 HydrophobicContact CD1-CG1 4.38Å; L87-I91 HydrophobicContact CD2-CD1 4.45Å; L87-I91 HydrophobicContact CG-CD1 3.79Å; L87-I91 HydrophobicContact CG-CG1 4.43Å; L87-I91 VanDerWaalsContact O-CG1 3.32Å; L87-I91 WeakPolarHBondContact O-CG1 3.06Å; L87-I91 PolarHBondContact O-N 3.19Å; E88-I91 PolarHBondContact O-N 3.02Å; I91-A93 PolarHBondContact O-N 2.98Å; I91-L94 PolarHBondContact O-N 3.3Å; I91-A95 VanDerWaalsContact O-CB 3.3Å; I91-A95 WeakPolarHBondContact O-CB 3.19Å; I91-A95 PolarHBondContact O-N 3.04Å; I91-L456 HydrophobicContact CG2-CB 4.1Å; I91-L461 HydrophobicContact CG1-CD1 4.27Å
92	A	89.8	Confident	87.6	Confident	51 Å²	51	43.5 Å²	43.5	42%	0.421	26%	0.26	S	S	.	.	H	α-helix	trans	-60.8	-45.1	178.8	0	0	0	0	0	111.5	E88 A95 E96	E88-A92 WeakPolarHBondContact O-CB 3.38Å; E88-A92 PolarHBondContact O-N 3.45Å; A92-A95 PolarHBondContact O-N 3.42Å; A92-E96 WeakPolarHBondContact O-CB 3.26Å; A92-E96 PolarHBondContact O-N 3.28Å
93	A	88.3	Confident	87.6	Confident	16 Å²	16	43.4 Å²	43.4	13%	0.132	25%	0.25	C	S	.	.	H	α-helix	trans	-65.1	-39.6	177.3	0	0	0	0	0	112.8	S89 L90 I91 R97 H226	S89-A93 WeakPolarHBondContact O-CB 3.38Å; S89-A93 PolarHBondContact O-N 2.61Å; S89-A93 VanDerWaalsContact O-N 3.08Å; L90-A93 PolarHBondContact O-N 3.29Å; I91-A93 PolarHBondContact O-N 2.98Å; A93-R97 WeakPolarHBondContact O-CB 3.22Å; A93-R97 WeakPolarHBondContact O-CG 3.24Å; A93-R97 PolarHBondContact O-N 2.81Å; A93-R97 VanDerWaalsContact O-N 3.09Å; A93-H226 WeakPolarHBondContact CB-CD2 3.22Å; A93-H226 WeakPolarHBondContact CB-NE2 3.42Å
94	L	91.6	Very high	87.5	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.005	26%	0.258	C	S	.	.	H	α-helix	trans	-63.6	-48.8	173.5	-76.4	166.8	0	0	0	111	L90 I91 E96 R97 M98 A223 L224 L456 L461	L90-L94 HydrophobicContact CD1-CD1 4.17Å; L90-L94 HydrophobicContact CD1-CG 4.3Å; L90-L94 HydrophobicContact CG-CD1 3.95Å; L90-L94 WeakPolarHBondContact O-CB 3.16Å; L90-L94 VanDerWaalsContact O-CG 3.29Å; L90-L94 WeakPolarHBondContact O-CG 3.44Å; L90-L94 PolarHBondContact O-N 3.11Å; I91-L94 PolarHBondContact O-N 3.3Å; L94-E96 VanDerWaalsContact C-N 3.33Å; L94-E96 PolarHBondContact O-N 3.08Å; L94-R97 PolarHBondContact O-N 3.42Å; L94-M98 HydrophobicContact CB-SD 4.31Å; L94-M98 HydrophobicContact CD2-SD 4.4Å; L94-M98 WeakPolarHBondContact O-CB 3.34Å; L94-M98 WeakPolarHBondContact O-CG 3.4Å; L94-M98 PolarHBondContact O-N 3.19Å; L94-A223 HydrophobicContact CD2-CB 3.64Å; L94-L224 HydrophobicContact CD1-CD2 4.04Å; L94-L224 HydrophobicContact CD2-CD2 3.63Å; L94-L224 HydrophobicContact CD2-CG 3.96Å; L94-L456 HydrophobicContact CB-CD1 3.85Å; L94-L461 HydrophobicContact CD1-CD1 3.75Å; L94-L461 HydrophobicContact CD1-CD2 4.42Å
95	A	91.4	Very high	87.9	Confident	16 Å²	16	42.1 Å²	42.1	13%	0.132	23%	0.233	C	C	.	.	H	α-helix	trans	-59.1	-44.4	179.4	0	0	0	0	0	111.3	I91 A92 M98 N99 L456	I91-A95 VanDerWaalsContact O-CB 3.3Å; I91-A95 WeakPolarHBondContact O-CB 3.19Å; I91-A95 PolarHBondContact O-N 3.04Å; A92-A95 PolarHBondContact O-N 3.42Å; A95-M98 PolarHBondContact O-N 3.3Å; A95-N99 WeakPolarHBondContact O-CA 3.34Å; A95-N99 WeakPolarHBondContact O-CB 3.33Å; A95-N99 PolarHBondContact O-N 3.29Å; A95-L456 HydrophobicContact CB-CD1 3.91Å
96	E	89.5	Confident	88.4	Confident	151 Å²	151	41.6 Å²	41.6	71%	0.706	23%	0.228	S	C	*	.	H	α-helix	trans	-61.4	-50.6	177.7	-174.4	-180	-175.7	0	0	111.8	A92 L94 M98 N99	A92-E96 WeakPolarHBondContact O-CB 3.26Å; A92-E96 PolarHBondContact O-N 3.28Å; L94-E96 VanDerWaalsContact C-N 3.33Å; L94-E96 PolarHBondContact O-N 3.08Å; E96-M98 VanDerWaalsContact C-N 3.33Å; E96-M98 PolarHBondContact O-N 3.04Å; E96-N99 WeakPolarHBondContact O-CB 3.33Å; E96-N99 PolarHBondContact O-N 3.48Å
97	R	88.6	Confident	88.7	Confident	108 Å²	108	42.2 Å²	42.2	41%	0.408	23%	0.23	S	C	.	.	H	α-helix	trans	-67.2	-34.1	-179.3	-70.6	-178.9	-177	-152.8	9.6	112.7	A93 L94 Q222 A223	A93-R97 WeakPolarHBondContact O-CB 3.22Å; A93-R97 WeakPolarHBondContact O-CG 3.24Å; A93-R97 PolarHBondContact O-N 2.81Å; A93-R97 VanDerWaalsContact O-N 3.09Å; L94-R97 PolarHBondContact O-N 3.42Å; R97-Q222 VanDerWaalsContact NH1-C 3.31Å; R97-Q222 PolarHBondContact NH1-O 3.41Å; R97-A223 HydrophobicContact CB-CB 4.19Å; R97-A223 VanDerWaalsContact CD-CB 3.46Å; R97-A223 HydrophobicContact CG-CB 4.46Å
98	M	89.2	Confident	88.8	Confident	3 Å²	3	41.7 Å²	41.7	2%	0.015	23%	0.227	C	C	.	.	H	α-helix	trans	-83.1	-18.3	179.7	-69	170.4	72.1	0	0	112.9	L94 A95 E96 T100 A101 W102 I109 L220 L452 L456	L94-M98 HydrophobicContact CB-SD 4.31Å; L94-M98 HydrophobicContact CD2-SD 4.4Å; L94-M98 WeakPolarHBondContact O-CB 3.34Å; L94-M98 WeakPolarHBondContact O-CG 3.4Å; L94-M98 PolarHBondContact O-N 3.19Å; A95-M98 PolarHBondContact O-N 3.3Å; E96-M98 VanDerWaalsContact C-N 3.33Å; E96-M98 PolarHBondContact O-N 3.04Å; M98-T100 VanDerWaalsContact C-N 3.32Å; M98-T100 PolarHBondContact O-N 3.26Å; M98-T100 VanDerWaalsContact O-N 3.15Å; M98-A101 PolarHBondContact O-N 2.92Å; M98-W102 HydrophobicContact CB-CD2 4.22Å; M98-W102 HydrophobicContact CB-CE3 3.58Å; M98-W102 HydrophobicContact CB-CZ3 3.93Å; M98-W102 HydrophobicContact CE-CD2 3.8Å; M98-W102 HydrophobicContact CE-CE3 3.73Å; M98-W102 HydrophobicContact CE-CH2 3.19Å; M98-W102 HydrophobicContact CE-CZ2 3.23Å; M98-W102 HydrophobicContact CE-CZ3 3.42Å; M98-W102 VanDerWaalsContact CE-CZ3 3.42Å; M98-W102 HydrophobicContact CG-CE3 4.02Å; M98-W102 HydrophobicContact CG-CH2 4.47Å; M98-W102 HydrophobicContact CG-CZ3 3.81Å; M98-W102 PolarHBondContact O-N 3.27Å; M98-W102 HydrophobicContact SD-CZ3 4.45Å; M98-I109 HydrophobicContact CE-CD1 3.67Å; M98-L220 HydrophobicContact CE-CD2 4.2Å; M98-L220 HydrophobicContact CG-CD2 4.28Å; M98-L220 HydrophobicContact SD-CD2 4.11Å; M98-L452 HydrophobicContact CB-CD2 4.04Å; M98-L452 HydrophobicContact CE-CD1 4.42Å; M98-L456 HydrophobicContact CE-CD2 4.16Å; M98-L456 HydrophobicContact SD-CD1 4.43Å; M98-L456 HydrophobicContact SD-CD2 3.98Å
99	N	87.1	Confident	89	Confident	40 Å²	40	39 Å²	39	21%	0.214	22%	0.215	C	C	.	.	H	α-helix	trans	-49	-48.4	-171.9	-168.3	10.9	0	0	0	113.3	A95 E96 W102 K103 P384	A95-N99 WeakPolarHBondContact O-CA 3.34Å; A95-N99 WeakPolarHBondContact O-CB 3.33Å; A95-N99 PolarHBondContact O-N 3.29Å; E96-N99 WeakPolarHBondContact O-CB 3.33Å; E96-N99 PolarHBondContact O-N 3.48Å; N99-W102 PolarHBondContact O-N 2.97Å; N99-K103 WeakPolarHBondContact O-CG 3.5Å; N99-K103 PolarHBondContact O-N 3.46Å; N99-K103 VanDerWaalsContact OD1-CE 3.28Å; N99-K103 WeakPolarHBondContact OD1-CE 3.3Å; N99-P384 VanDerWaalsContact OD1-CD 3.27Å; N99-P384 WeakPolarHBondContact OD1-CD 3.4Å; N99-P384 WeakPolarHBondContact OD1-CG 3.28Å
100	T	83.6	Confident	89.4	Confident	105 Å²	105	38 Å²	38	64%	0.644	21%	0.208	S	C	*	.	H	α-helix	trans	-68.1	-41.8	-179.1	-58.3	0	0	0	0	112.6	M98 W102	M98-T100 VanDerWaalsContact C-N 3.32Å; M98-T100 PolarHBondContact O-N 3.26Å; M98-T100 VanDerWaalsContact O-N 3.15Å; T100-W102 VanDerWaalsContact C-N 3.34Å
101	A	84.2	Confident	89.6	Confident	27 Å²	27	38.1 Å²	38.1	22%	0.223	21%	0.208	C	C	.	.	H	α-helix	trans	-70.8	-31.5	-179.8	0	0	0	0	0	111.9	M98 K103 L216	M98-A101 PolarHBondContact O-N 2.92Å; A101-K103 VanDerWaalsContact C-N 3.34Å; A101-K103 PolarHBondContact O-N 3.42Å; A101-L216 HydrophobicContact CB-CD1 4.49Å
102	W	87.8	Confident	89.9	Confident	1 Å²	1	38 Å²	38	0%	0.004	21%	0.208	C	C	.	.	H	α-helix	trans	-84.4	-3	-179.2	-94.2	-106.3	0	0	0	115	M98 N99 T100 I109 L216 L220 P344 L452	M98-W102 HydrophobicContact CB-CD2 4.22Å; M98-W102 HydrophobicContact CB-CE3 3.58Å; M98-W102 HydrophobicContact CB-CZ3 3.93Å; M98-W102 HydrophobicContact CE-CD2 3.8Å; M98-W102 HydrophobicContact CE-CE3 3.73Å; M98-W102 HydrophobicContact CE-CH2 3.19Å; M98-W102 HydrophobicContact CE-CZ2 3.23Å; M98-W102 HydrophobicContact CE-CZ3 3.42Å; M98-W102 VanDerWaalsContact CE-CZ3 3.42Å; M98-W102 HydrophobicContact CG-CE3 4.02Å; M98-W102 HydrophobicContact CG-CH2 4.47Å; M98-W102 HydrophobicContact CG-CZ3 3.81Å; M98-W102 PolarHBondContact O-N 3.27Å; M98-W102 HydrophobicContact SD-CZ3 4.45Å; N99-W102 PolarHBondContact O-N 2.97Å; T100-W102 VanDerWaalsContact C-N 3.34Å; W102-I109 HydrophobicContact CH2-CD1 4.21Å; W102-I109 HydrophobicContact CH2-CG2 3.75Å; W102-I109 HydrophobicContact CZ2-CB 4.32Å; W102-I109 HydrophobicContact CZ2-CD1 3.69Å; W102-I109 HydrophobicContact CZ2-CG1 3.8Å; W102-I109 HydrophobicContact CZ2-CG2 3.73Å; W102-L216 HydrophobicContact CH2-CD1 4.22Å; W102-L216 HydrophobicContact CZ3-CD1 3.89Å; W102-L220 HydrophobicContact CH2-CD2 4.31Å; W102-P344 WeakPolarHBondContact O-CB 3.34Å; W102-L452 HydrophobicContact CB-CD2 4.15Å; W102-L452 HydrophobicContact CG-CD1 4.22Å; W102-L452 HydrophobicContact CG-CD2 4.37Å
103	K	80.3	Confident	90.3	Very high	105 Å²	105	35.7 Å²	35.7	46%	0.457	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-17.2	171.2	-79	174.7	-176.2	177.9	0	114.2	N99 A101 P384	N99-K103 WeakPolarHBondContact O-CG 3.5Å; N99-K103 PolarHBondContact O-N 3.46Å; N99-K103 VanDerWaalsContact OD1-CE 3.28Å; N99-K103 WeakPolarHBondContact OD1-CE 3.3Å; A101-K103 VanDerWaalsContact C-N 3.34Å; A101-K103 PolarHBondContact O-N 3.42Å; K103-P384 HydrophobicContact CG-CG 4.27Å
104	N	82.2	Confident	90.8	Very high	102 Å²	102	35.1 Å²	35.1	55%	0.545	18%	0.183	S	C	.	.	S	Bend	trans	-120.2	135.2	-174.6	-63.9	-58.7	0	0	0	111.1	P344	N104-P344 WeakPolarHBondContact O-CB 3.06Å; N104-P344 WeakPolarHBondContact O-CG 3.37Å
105	S	86.8	Confident	91	Very high	31 Å²	31	35.4 Å²	35.4	22%	0.217	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	145.6	168.1	-59.7	0	0	0	0	111.9	E171 D345 K348	S105-E171 WeakPolarHBondContact CB-OE2 3.26Å; S105-D345 WeakPolarHBondContact CB-OD2 3.45Å; S105-D345 PolarHBondContact N-OD2 2.95Å; S105-D345 PolarHBondContact OG-OD2 3.4Å; S105-K348 PolarHBondContact OG-NZ 3.39Å
106	G	90.6	Very high	91.2	Very high	8 Å²	8	34.6 Å²	34.6	8%	0.082	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	129	-16.1	169.1	0	0	0	0	0	115	S168 S169	G106-S168 CarbonylContact O-C 3.52Å; G106-S168 WeakPolarHBondContact O-CA 3.25Å; G106-S169 WeakPolarHBondContact CA-OG 3.37Å; G106-S169 PolarHBondContact O-N 3.06Å; G106-S169 PolarHBondContact O-OG 3.28Å
107	H	94.3	Very high	91.5	Very high	23 Å²	23	28.6 Å²	28.6	11%	0.106	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	153.9	170.6	-66.6	-60.2	0	0	0	111.8	W167 S168 L172 L216 P344	H107-W167 VanDerWaalsContact CA-O 3.32Å; H107-W167 WeakPolarHBondContact CA-O 3.17Å; H107-S168 PolarHBondContact CE1-OG 2.72Å; H107-S168 PolarHBondContact ND1-OG 3.37Å; H107-S168 VanDerWaalsContact ND1-OG 3.09Å; H107-L172 WeakPolarHBondContact CE1-CD1 3.4Å; H107-L216 HydrophobicContact CB-CD2 3.98Å; H107-L216 VanDerWaalsContact ND1-CD2 3.26Å; H107-L216 WeakPolarHBondContact ND1-CD2 3.41Å; H107-P344 WeakPolarHBondContact O-CD 3.28Å
108	K	95.1	Very high	91.8	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.009	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	143.2	166.4	176.2	-178.1	77.2	144.6	0	108.4	W167 D341 M343 H441	K108-W167 HydrophobicContact CB-CB 4.06Å; K108-W167 HydrophobicContact CB-CG 4.36Å; K108-W167 VanDerWaalsContact CE-NE1 3.33Å; K108-W167 PolarHBondContact N-O 2.83Å; K108-W167 PolarHBondContact O-N 2.89Å; K108-D341 HydrophobicContact CD-CB 4.43Å; K108-D341 IonicContact NZ-OD1 3.24Å; K108-M343 HydrophobicContact CB-CG 3.89Å; K108-M343 HydrophobicContact CD-CG 3.66Å; K108-M343 HydrophobicContact CD-SD 3.88Å; K108-M343 HydrophobicContact CG-CG 3.48Å; K108-M343 VanDerWaalsContact CG-CG 3.48Å; K108-M343 HydrophobicContact CG-SD 4.38Å; K108-H441 WeakPolarHBondContact CE-O 3.38Å; K108-H441 PolarHBondContact NZ-O 3.21Å
109	I	96.1	Very high	92	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.01	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	149.8	165.8	67.6	178.8	0	0	0	110.9	M98 W102 L164 T165 V166 L220 D341 L342 F459	M98-I109 HydrophobicContact CE-CD1 3.67Å; W102-I109 HydrophobicContact CH2-CD1 4.21Å; W102-I109 HydrophobicContact CH2-CG2 3.75Å; W102-I109 HydrophobicContact CZ2-CB 4.32Å; W102-I109 HydrophobicContact CZ2-CD1 3.69Å; W102-I109 HydrophobicContact CZ2-CG1 3.8Å; W102-I109 HydrophobicContact CZ2-CG2 3.73Å; I109-L164 HydrophobicContact CB-CD1 3.86Å; I109-L164 HydrophobicContact CD1-CD1 4.32Å; I109-L164 HydrophobicContact CG1-CD1 4.42Å; I109-L164 HydrophobicContact CG2-CD1 4.47Å; I109-T165 CarbonylContact C-O 3.55Å; I109-T165 WeakPolarHBondContact CA-O 3.46Å; I109-V166 HydrophobicContact CG2-CG2 4.34Å; I109-L220 HydrophobicContact CG2-CD1 4.04Å; I109-D341 WeakPolarHBondContact O-CA 3.46Å; I109-L342 HydrophobicContact CD1-CD2 4.17Å; I109-L342 HydrophobicContact CG1-CB 3.9Å; I109-L342 HydrophobicContact CG1-CD2 4.39Å; I109-L342 PolarHBondContact N-O 3.4Å; I109-L342 PolarHBondContact O-N 3.29Å; I109-F459 HydrophobicContact CD1-CE2 3.97Å; I109-F459 HydrophobicContact CD1-CZ 4.3Å
110	S	96.7	Very high	92.3	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.007	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	112.8	177.4	-44.2	0	0	0	0	109.7	T165 W167 M340 D341	S110-T165 PolarHBondContact N-O 2.71Å; S110-T165 PolarHBondContact O-N 2.74Å; S110-W167 PolarHBondContact OG-NE1 2.87Å; S110-M340 CarbonylContact C-O 3.55Å; S110-M340 WeakPolarHBondContact CA-O 3.44Å; S110-D341 WeakPolarHBondContact CB-OD1 3.3Å; S110-D341 PolarHBondContact OG-OD1 3.26Å
111	F	97	Very high	92.8	Very high	5 Å²	5	29 Å²	29	2%	0.022	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	127.5	166.6	-92	-89.4	0	0	0	109	I68 W163 L164 R339 M340 F459 P460 L461	I68-F111 HydrophobicContact CD1-CD1 4.19Å; I68-F111 HydrophobicContact CD1-CE1 3.31Å; I68-F111 HydrophobicContact CD1-CZ 3.86Å; F111-W163 WeakPolarHBondContact CA-O 3.47Å; F111-L164 HydrophobicContact CD2-CD1 3.64Å; F111-L164 HydrophobicContact CE1-CB 4.42Å; F111-L164 HydrophobicContact CE2-CD1 3.55Å; F111-L164 HydrophobicContact CE2-CD2 4.37Å; F111-L164 HydrophobicContact CE2-CG 4.42Å; F111-L164 HydrophobicContact CG-CD1 4.23Å; F111-L164 HydrophobicContact CZ-CB 4.42Å; F111-L164 HydrophobicContact CZ-CD1 4.07Å; F111-L164 HydrophobicContact CZ-CD2 4.28Å; F111-R339 CarbonylContact O-C 3.59Å; F111-R339 VanDerWaalsContact O-CA 3.3Å; F111-R339 WeakPolarHBondContact O-CA 3.23Å; F111-M340 PolarHBondContact N-O 2.62Å; F111-M340 PolarHBondContact O-N 3.23Å; F111-F459 HydrophobicContact CB-CD1 3.91Å; F111-F459 HydrophobicContact CB-CE1 4.03Å; F111-F459 HydrophobicContact CD2-CB 4.14Å; F111-F459 AromaticContact CD2-CD1 3.53Å; F111-F459 HydrophobicContact CD2-CD1 3.53Å; F111-F459 AromaticContact CD2-CD2 3.39Å; F111-F459 HydrophobicContact CD2-CD2 3.39Å; F111-F459 AromaticContact CD2-CE1 3.62Å; F111-F459 HydrophobicContact CD2-CE1 3.62Å; F111-F459 AromaticContact CD2-CE2 3.46Å; F111-F459 HydrophobicContact CD2-CE2 3.46Å; F111-F459 VanDerWaalsContact CD2-CE2 3.46Å; F111-F459 AromaticContact CD2-CG 3.42Å; F111-F459 HydrophobicContact CD2-CG 3.42Å; F111-F459 VanDerWaalsContact CD2-CG 3.42Å; F111-F459 AromaticContact CD2-CZ 3.58Å; F111-F459 HydrophobicContact CD2-CZ 3.58Å; F111-F459 HydrophobicContact CE2-CB 4.15Å; F111-F459 HydrophobicContact CE2-CD1 4.26Å; F111-F459 AromaticContact CE2-CD2 3.29Å; F111-F459 HydrophobicContact CE2-CD2 3.29Å; F111-F459 HydrophobicContact CE2-CE1 4.49Å; F111-F459 AromaticContact CE2-CE2 3.57Å; F111-F459 HydrophobicContact CE2-CE2 3.57Å; F111-F459 AromaticContact CE2-CG 3.67Å; F111-F459 HydrophobicContact CE2-CG 3.67Å; F111-F459 HydrophobicContact CE2-CZ 4.18Å; F111-F459 HydrophobicContact CG-CB 4.39Å; F111-F459 AromaticContact CG-CD1 3.87Å; F111-F459 HydrophobicContact CG-CD1 3.87Å; F111-F459 HydrophobicContact CG-CD2 4.37Å; F111-F459 HydrophobicContact CG-CE1 4.17Å; F111-F459 AromaticContact CG-CG 3.98Å; F111-F459 HydrophobicContact CG-CG 3.98Å; F111-F459 HydrophobicContact CZ-CB 4.39Å; F111-F459 HydrophobicContact CZ-CD2 4.2Å; F111-F459 HydrophobicContact CZ-CG 4.39Å; F111-P460 HydrophobicContact CD1-CG 3.7Å; F111-P460 HydrophobicContact CE1-CG 4.16Å; F111-L461 HydrophobicContact CE1-CD2 4.39Å; F111-L461 HydrophobicContact CZ-CD2 3.89Å
112	V	97.9	Very high	93.2	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	124.1	171.7	-177.7	0	0	0	0	108	C162 W163 R337 I338 R339 L437	V112-C162 CarbonylContact O-C 3.51Å; V112-C162 WeakPolarHBondContact O-CA 3.44Å; V112-W163 HydrophobicContact CB-CE3 4.14Å; V112-W163 HydrophobicContact CG1-CE3 3.96Å; V112-W163 HydrophobicContact CG1-CZ3 4.28Å; V112-W163 PolarHBondContact N-O 2.7Å; V112-W163 PolarHBondContact O-N 2.92Å; V112-R337 HydrophobicContact CG1-CG 3.88Å; V112-I338 CarbonylContact C-O 3.46Å; V112-I338 WeakPolarHBondContact CA-O 3.48Å; V112-R339 HydrophobicContact CG2-CB 4Å; V112-R339 HydrophobicContact CG2-CG 3.85Å; V112-L437 HydrophobicContact CG2-CD1 4.46Å
113	F	98.2	Very high	93.5	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.009	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	131.9	179.3	176	-94.4	0	0	0	109.5	R115 E160 R161 C162 F323 V327 W336 R337 I338 P460 R463	F113-R115 HydrophobicContact CD1-CG 4.26Å; F113-R115 HydrophobicContact CE1-CG 3.31Å; F113-R115 HydrophobicContact CZ-CG 3.53Å; F113-E160 HydrophobicContact CD2-CG 4.37Å; F113-E160 HydrophobicContact CE2-CG 3.36Å; F113-E160 WeakPolarHBondContact CE2-OE1 3.29Å; F113-E160 HydrophobicContact CZ-CG 3.57Å; F113-E160 WeakPolarHBondContact CZ-OE2 3.41Å; F113-R161 CarbonylContact C-O 3.54Å; F113-R161 WeakPolarHBondContact CA-O 3.39Å; F113-C162 HydrophobicContact CD2-CB 4.11Å; F113-F323 HydrophobicContact CB-CE1 4.49Å; F113-F323 HydrophobicContact CB-CZ 4.06Å; F113-F323 AromaticContact CD1-CE1 3.56Å; F113-F323 HydrophobicContact CD1-CE1 3.56Å; F113-F323 AromaticContact CD1-CZ 3.37Å; F113-F323 HydrophobicContact CD1-CZ 3.37Å; F113-F323 HydrophobicContact CD2-CE1 4.05Å; F113-F323 HydrophobicContact CD2-CZ 4.41Å; F113-F323 AromaticContact CE1-CE1 3.53Å; F113-F323 HydrophobicContact CE1-CE1 3.53Å; F113-F323 AromaticContact CE1-CZ 3.75Å; F113-F323 HydrophobicContact CE1-CZ 3.75Å; F113-F323 HydrophobicContact CE2-CE1 4.07Å; F113-F323 AromaticContact CG-CE1 3.78Å; F113-F323 HydrophobicContact CG-CE1 3.78Å; F113-F323 AromaticContact CG-CZ 3.7Å; F113-F323 HydrophobicContact CG-CZ 3.7Å; F113-F323 AromaticContact CZ-CE1 3.81Å; F113-F323 HydrophobicContact CZ-CE1 3.81Å; F113-F323 HydrophobicContact CZ-CZ 4.45Å; F113-V327 HydrophobicContact CE1-CG2 4.01Å; F113-V327 HydrophobicContact CZ-CG2 4.06Å; F113-W336 AromaticContact CD1-CH2 3.8Å; F113-W336 HydrophobicContact CD1-CH2 3.8Å; F113-W336 HydrophobicContact CD1-CZ2 4.14Å; F113-W336 HydrophobicContact CD1-CZ3 4.2Å; F113-W336 AromaticContact CE1-CH2 3.76Å; F113-W336 HydrophobicContact CE1-CH2 3.76Å; F113-W336 AromaticContact CE1-CZ2 3.68Å; F113-W336 HydrophobicContact CE1-CZ2 3.68Å; F113-R337 CarbonylContact O-C 3.58Å; F113-R337 VanDerWaalsContact O-CA 3.22Å; F113-R337 WeakPolarHBondContact O-CA 3.36Å; F113-R337 WeakPolarHBondContact O-CG 3.38Å; F113-I338 HydrophobicContact CB-CG2 3.86Å; F113-I338 HydrophobicContact CD1-CG2 4.25Å; F113-I338 PolarHBondContact N-O 3.5Å; F113-I338 PolarHBondContact O-N 2.8Å; F113-P460 HydrophobicContact CB-CG 4.43Å; F113-P460 HydrophobicContact CD2-CB 4.18Å; F113-R463 HydrophobicContact CE2-CG 3.95Å
114	E	97.9	Very high	94.2	Very high	5 Å²	5	26.4 Å²	26.4	2%	0.023	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	133.4	-177.5	-175.6	176.7	102.6	0	0	110.4	R159 E160 R161 W163 W336 R337 W395	E114-R159 IonicContact OE1-CZ 3.23Å; E114-R159 IonicContact OE1-NH2 2.68Å; E114-R159 PolarHBondContact OE1-NH2 2.87Å; E114-E160 CarbonylContact O-C 3.52Å; E114-E160 WeakPolarHBondContact O-CA 3.26Å; E114-R161 PolarHBondContact N-O 3.13Å; E114-R161 PolarHBondContact O-N 3.37Å; E114-W163 HydrophobicContact CB-CH2 4.35Å; E114-W163 HydrophobicContact CB-CZ3 3.9Å; E114-W336 WeakPolarHBondContact CA-O 3.35Å; E114-R337 HydrophobicContact CB-CB 4.21Å; E114-R337 HydrophobicContact CB-CG 4.1Å; E114-R337 HydrophobicContact CG-CB 4.14Å; E114-R337 HydrophobicContact CG-CG 4.46Å; E114-R337 WeakPolarHBondContact OE2-CD 3.39Å; E114-R337 IonicContact OE2-CZ 3.18Å; E114-R337 IonicContact OE2-NH1 3.33Å; E114-R337 PolarHBondContact OE2-NH1 3.4Å; E114-W395 HydrophobicContact CG-CH2 3.97Å
115	R	97.4	Very high	94.8	Very high	6 Å²	6	24.7 Å²	24.7	2%	0.023	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	127.7	167.9	-59.3	-169.6	89	-147.7	-6	109.6	F113 V158 R159 E160 V327 P335 W336 D480	F113-R115 HydrophobicContact CD1-CG 4.26Å; F113-R115 HydrophobicContact CE1-CG 3.31Å; F113-R115 HydrophobicContact CZ-CG 3.53Å; R115-V158 HydrophobicContact CB-CG1 3.87Å; R115-R159 CarbonylContact C-O 3.48Å; R115-R159 WeakPolarHBondContact CA-O 3.36Å; R115-E160 HydrophobicContact CG-CG 4.32Å; R115-E160 IonicContact CZ-OE2 3.52Å; R115-E160 IonicContact NE-OE2 2.62Å; R115-E160 PolarHBondContact NE-OE2 2.89Å; R115-E160 IonicContact NH2-OE2 2.72Å; R115-V327 VanDerWaalsContact CZ-CG1 3.49Å; R115-P335 CarbonylContact O-C 3.49Å; R115-P335 WeakPolarHBondContact O-CA 3.32Å; R115-W336 HydrophobicContact CG-CZ2 4.31Å; R115-W336 PolarHBondContact N-O 3.02Å; R115-W336 PolarHBondContact O-N 3.42Å; R115-D480 PolarHBondContact NH2-O 3.21Å
116	D	96	Very high	95.1	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	98	-179.3	-167.9	-17.1	0	0	0	110.6	E118 R119 R159 R251 W395	D116-E118 VanDerWaalsContact C-N 3.29Å; D116-E118 PolarHBondContact O-N 3.38Å; D116-E118 WeakPolarHBondContact OD1-CB 3.36Å; D116-E118 PolarHBondContact OD1-N 2.99Å; D116-E118 VanDerWaalsContact OD1-N 3.17Å; D116-R119 HydrophobicContact CB-CB 4.17Å; D116-R119 HydrophobicContact CB-CG 4.18Å; D116-R119 VanDerWaalsContact CG-CG 3.45Å; D116-R119 PolarHBondContact O-N 3.33Å; D116-R119 PolarHBondContact OD1-N 3.08Å; D116-R119 WeakPolarHBondContact OD2-CG 3.25Å; D116-R159 HydrophobicContact CB-CB 4.39Å; D116-R159 PolarHBondContact N-O 2.92Å; D116-R159 WeakPolarHBondContact O-CB 3.46Å; D116-R159 PolarHBondContact O-N 3.35Å; D116-R159 IonicContact OD2-NH2 3.04Å; D116-R251 VanDerWaalsContact CG-NH2 3.3Å; D116-R251 IonicContact OD1-CZ 2.67Å; D116-R251 IonicContact OD1-NH2 2.86Å; D116-R251 PolarHBondContact OD1-NH2 3.01Å; D116-R251 IonicContact OD2-CZ 2.71Å; D116-R251 VanDerWaalsContact OD2-CZ 3.24Å; D116-R251 IonicContact OD2-NE 3.9Å; D116-R251 PolarHBondContact OD2-NE 3.37Å; D116-R251 IonicContact OD2-NH2 3.82Å; D116-R251 PolarHBondContact OD2-NH2 2.8Å; D116-W395 HydrophobicContact CB-CZ2 4.4Å
117	P	95.7	Very high	95.3	Very high	25 Å²	25	26.6 Å²	26.6	16%	0.162	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-66.4	-29.8	179	26.6	-35.1	0	0	0	112.9	R119 G120 V158 R332	P117-R119 PolarHBondContact O-N 3Å; P117-G120 PolarHBondContact O-N 2.56Å; P117-V158 HydrophobicContact CB-CG2 4.21Å; P117-R332 WeakPolarHBondContact CB-O 3.5Å; P117-R332 WeakPolarHBondContact CG-O 3.32Å
118	E	93.7	Very high	95.4	Very high	87 Å²	87	25.6 Å²	25.6	41%	0.407	13%	0.127	S	C	.	.	G	3₁₀ helix	trans	-69.5	-17	178.5	-69.9	173.8	-170.5	0	0	112.1	D116 R251	D116-E118 VanDerWaalsContact C-N 3.29Å; D116-E118 PolarHBondContact O-N 3.38Å; D116-E118 WeakPolarHBondContact OD1-CB 3.36Å; D116-E118 PolarHBondContact OD1-N 2.99Å; D116-E118 VanDerWaalsContact OD1-N 3.17Å; E118-R251 IonicContact OE2-CZ 3.07Å; E118-R251 IonicContact OE2-NH1 2.7Å; E118-R251 PolarHBondContact OE2-NH1 2.87Å; E118-R251 IonicContact OE2-NH2 2.74Å; E118-R251 PolarHBondContact OE2-NH2 3.12Å
119	R	93.1	Very high	95.3	Very high	46 Å²	46	29.7 Å²	29.7	17%	0.174	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-99.9	5.7	177.3	-63.2	-74.1	178.4	172.1	-3.1	113.4	D116 P117 R121 D122 E123 R159 R251 N252	D116-R119 HydrophobicContact CB-CB 4.17Å; D116-R119 HydrophobicContact CB-CG 4.18Å; D116-R119 VanDerWaalsContact CG-CG 3.45Å; D116-R119 PolarHBondContact O-N 3.33Å; D116-R119 PolarHBondContact OD1-N 3.08Å; D116-R119 WeakPolarHBondContact OD2-CG 3.25Å; P117-R119 PolarHBondContact O-N 3Å; R119-R121 PolarHBondContact O-N 2.85Å; R119-D122 WeakPolarHBondContact CD-OD2 3.46Å; R119-D122 IonicContact CZ-OD2 2.8Å; R119-D122 IonicContact NE-OD2 3.35Å; R119-D122 IonicContact NH1-OD2 3.96Å; R119-D122 PolarHBondContact NH1-OD2 3.33Å; R119-D122 WeakPolarHBondContact O-CB 3.33Å; R119-D122 PolarHBondContact O-N 3.2Å; R119-E123 PolarHBondContact O-N 2.69Å; R119-R159 HydrophobicContact CB-CB 3.76Å; R119-R159 HydrophobicContact CB-CG 4.39Å; R119-R251 PolarHBondContact NH2-O 3.31Å; R119-N252 PolarHBondContact NH2-OD1 3.13Å
120	G	93.3	Very high	95.1	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-59.6	-35.6	174.1	0	0	0	0	0	112.9	P117 D122 E123 I124 L157	P117-G120 PolarHBondContact O-N 2.56Å; G120-D122 PolarHBondContact O-N 3.22Å; G120-E123 PolarHBondContact O-N 2.74Å; G120-I124 PolarHBondContact O-N 3.03Å; G120-L157 WeakPolarHBondContact CA-O 3.27Å
121	R	95.1	Very high	94.9	Very high	131 Å²	131	33.7 Å²	33.7	49%	0.494	17%	0.174	S	C	.	.	H	α-helix	trans	-60.7	-42.6	174	-174.2	172.7	175.9	153.4	4.8	112.5	R119 E123 I124 E125 V150 T154	R119-R121 PolarHBondContact O-N 2.85Å; R121-E123 VanDerWaalsContact C-N 3.25Å; R121-E123 PolarHBondContact O-N 3.1Å; R121-I124 WeakPolarHBondContact O-CG2 3.33Å; R121-I124 PolarHBondContact O-N 3.24Å; R121-E125 HydrophobicContact CG-CG 4.22Å; R121-E125 IonicContact CZ-OE1 2.91Å; R121-E125 IonicContact NE-OE1 3.36Å; R121-E125 PolarHBondContact NE-OE1 2.94Å; R121-E125 IonicContact NH2-OE1 3.69Å; R121-E125 PolarHBondContact NH2-OE1 2.52Å; R121-E125 WeakPolarHBondContact O-CB 3.31Å; R121-E125 WeakPolarHBondContact O-CG 3.49Å; R121-E125 PolarHBondContact O-N 3.21Å; R121-V150 HydrophobicContact CG-CG1 4.06Å; R121-T154 HydrophobicContact CB-CG2 3.86Å; R121-T154 HydrophobicContact CG-CG2 4.48Å
122	D	92.8	Very high	94.8	Very high	58 Å²	58	36.8 Å²	36.8	31%	0.31	19%	0.186	S	C	.	.	H	α-helix	trans	-62.1	-35.1	180	-63	3.4	0	0	0	111.5	R119 G120 A126	R119-D122 WeakPolarHBondContact CD-OD2 3.46Å; R119-D122 IonicContact CZ-OD2 2.8Å; R119-D122 IonicContact NE-OD2 3.35Å; R119-D122 IonicContact NH1-OD2 3.96Å; R119-D122 PolarHBondContact NH1-OD2 3.33Å; R119-D122 WeakPolarHBondContact O-CB 3.33Å; R119-D122 PolarHBondContact O-N 3.2Å; G120-D122 PolarHBondContact O-N 3.22Å; D122-A126 WeakPolarHBondContact O-CB 3.4Å; D122-A126 PolarHBondContact O-N 3.08Å
123	E	93.1	Very high	94.5	Very high	19 Å²	19	43.3 Å²	43.3	9%	0.089	22%	0.215	C	C	.	.	H	α-helix	trans	-63.7	-47.9	178.1	-60	-67.9	112.7	0	0	111.4	R119 G120 R121 M127 R159 R161 M475 A483	R119-E123 PolarHBondContact O-N 2.69Å; G120-E123 PolarHBondContact O-N 2.74Å; R121-E123 VanDerWaalsContact C-N 3.25Å; R121-E123 PolarHBondContact O-N 3.1Å; E123-M127 PolarHBondContact O-N 3.31Å; E123-M127 VanDerWaalsContact O-N 3.13Å; E123-R159 HydrophobicContact CG-CB 4.07Å; E123-R159 HydrophobicContact CG-CG 4.11Å; E123-R159 WeakPolarHBondContact OE1-CD 3.39Å; E123-R159 VanDerWaalsContact OE1-CG 3.29Å; E123-R159 WeakPolarHBondContact OE1-CG 3.5Å; E123-R161 VanDerWaalsContact CD-NH2 3.29Å; E123-R161 IonicContact OE1-CZ 2.93Å; E123-R161 IonicContact OE1-NH1 2.73Å; E123-R161 PolarHBondContact OE1-NH1 3.17Å; E123-R161 IonicContact OE1-NH2 3.1Å; E123-R161 PolarHBondContact OE1-NH2 3Å; E123-R161 IonicContact OE2-CZ 2.8Å; E123-R161 IonicContact OE2-NH1 3.9Å; E123-R161 PolarHBondContact OE2-NH1 2.92Å; E123-R161 IonicContact OE2-NH2 3.59Å; E123-R161 PolarHBondContact OE2-NH2 3.14Å; E123-M475 HydrophobicContact CB-CE 4.18Å; E123-A483 HydrophobicContact CB-CB 4.19Å; E123-A483 HydrophobicContact CG-CB 4.14Å
124	I	96	Very high	94.2	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.005	22%	0.215	C	C	.	.	H	α-helix	trans	-71	-40.1	-180	-178	64.6	0	0	0	111.6	G120 R121 A126 M127 L128 V150 L153 L157 M475	G120-I124 PolarHBondContact O-N 3.03Å; R121-I124 WeakPolarHBondContact O-CG2 3.33Å; R121-I124 PolarHBondContact O-N 3.24Å; I124-A126 VanDerWaalsContact C-N 3.35Å; I124-A126 PolarHBondContact O-N 3.33Å; I124-M127 HydrophobicContact CD1-CE 3.64Å; I124-M127 PolarHBondContact O-N 3.44Å; I124-L128 HydrophobicContact CD1-CD1 3.88Å; I124-L128 HydrophobicContact CD1-CD2 4.41Å; I124-L128 HydrophobicContact CD1-CG 3.86Å; I124-L128 HydrophobicContact CG1-CD1 3.81Å; I124-L128 HydrophobicContact CG1-CG 4.16Å; I124-L128 WeakPolarHBondContact O-CB 3.35Å; I124-L128 VanDerWaalsContact O-CG 3.31Å; I124-L128 WeakPolarHBondContact O-CG 3.21Å; I124-L128 PolarHBondContact O-N 2.99Å; I124-V150 HydrophobicContact CG1-CG2 4.2Å; I124-V150 HydrophobicContact CG2-CG1 4.19Å; I124-V150 HydrophobicContact CG2-CG2 4.37Å; I124-L153 HydrophobicContact CD1-CD1 3.83Å; I124-L153 HydrophobicContact CG1-CD1 4.3Å; I124-L157 HydrophobicContact CB-CD1 3.78Å; I124-L157 HydrophobicContact CG2-CD1 3.95Å; I124-M475 HydrophobicContact CD1-CB 3.47Å; I124-M475 VanDerWaalsContact CD1-CB 3.47Å; I124-M475 HydrophobicContact CD1-CG 3.92Å
125	E	95	Very high	93.8	Very high	67 Å²	67	43.4 Å²	43.4	31%	0.313	22%	0.215	S	C	.	.	H	α-helix	trans	-64.2	-40.4	177.5	-74.6	-172.6	176	0	0	111.9	R121 L128 L129 V150	R121-E125 HydrophobicContact CG-CG 4.22Å; R121-E125 IonicContact CZ-OE1 2.91Å; R121-E125 IonicContact NE-OE1 3.36Å; R121-E125 PolarHBondContact NE-OE1 2.94Å; R121-E125 IonicContact NH2-OE1 3.69Å; R121-E125 PolarHBondContact NH2-OE1 2.52Å; R121-E125 WeakPolarHBondContact O-CB 3.31Å; R121-E125 WeakPolarHBondContact O-CG 3.49Å; R121-E125 PolarHBondContact O-N 3.21Å; E125-L128 PolarHBondContact O-N 3.13Å; E125-L129 PolarHBondContact O-N 2.77Å; E125-V150 HydrophobicContact CG-CG1 4.12Å; E125-V150 HydrophobicContact CG-CG2 4.18Å
126	A	92.9	Very high	93.5	Very high	66 Å²	66	47 Å²	47	55%	0.545	25%	0.246	S	C	.	.	H	α-helix	trans	-62.6	-44.2	175.1	0	0	0	0	0	112	D122 I124 L129	D122-A126 WeakPolarHBondContact O-CB 3.4Å; D122-A126 PolarHBondContact O-N 3.08Å; I124-A126 VanDerWaalsContact C-N 3.35Å; I124-A126 PolarHBondContact O-N 3.33Å; A126-L129 PolarHBondContact O-N 2.61Å
127	M	95	Very high	93.1	Very high	13 Å²	13	54.1 Å²	54.1	6%	0.064	27%	0.273	C	S	.	.	H	α-helix	trans	-66.4	-36.6	178.1	-170.9	-156.2	74.3	0	0	112.4	E123 I124 P130 G472 M475 E485	E123-M127 PolarHBondContact O-N 3.31Å; E123-M127 VanDerWaalsContact O-N 3.13Å; I124-M127 HydrophobicContact CD1-CE 3.64Å; I124-M127 PolarHBondContact O-N 3.44Å; M127-P130 VanDerWaalsContact O-CD 3.32Å; M127-P130 WeakPolarHBondContact O-CD 3.17Å; M127-G472 WeakPolarHBondContact CG-O 3.32Å; M127-M475 HydrophobicContact CB-CE 4.17Å; M127-M475 HydrophobicContact CE-CB 3.76Å; M127-M475 HydrophobicContact SD-CB 3.7Å; M127-M475 HydrophobicContact SD-CE 3.95Å; M127-M475 PolarHBondContact SD-N 3.16Å; M127-M475 VanDerWaalsContact SD-N 3.37Å; M127-E485 HydrophobicContact CG-CG 4.42Å; M127-E485 HydrophobicContact SD-CG 4.29Å
128	L	95.2	Very high	92.7	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.005	27%	0.268	C	S	.	.	H	α-helix	trans	-82.1	-13	-179.7	-67.6	-178.4	0	0	0	113.6	I124 E125 Q131 R132 L146 K149 V150	I124-L128 HydrophobicContact CD1-CD1 3.88Å; I124-L128 HydrophobicContact CD1-CD2 4.41Å; I124-L128 HydrophobicContact CD1-CG 3.86Å; I124-L128 HydrophobicContact CG1-CD1 3.81Å; I124-L128 HydrophobicContact CG1-CG 4.16Å; I124-L128 WeakPolarHBondContact O-CB 3.35Å; I124-L128 VanDerWaalsContact O-CG 3.31Å; I124-L128 WeakPolarHBondContact O-CG 3.21Å; I124-L128 PolarHBondContact O-N 2.99Å; E125-L128 PolarHBondContact O-N 3.13Å; L128-Q131 WeakPolarHBondContact O-CA 3.3Å; L128-Q131 WeakPolarHBondContact O-CB 3.3Å; L128-Q131 PolarHBondContact O-N 2.65Å; L128-R132 PolarHBondContact O-N 3.37Å; L128-L146 HydrophobicContact CD2-CD2 4.21Å; L128-K149 HydrophobicContact CD1-CB 4.25Å; L128-V150 HydrophobicContact CD1-CG2 3.74Å
129	L	93.2	Very high	92.3	Very high	89 Å²	89	50.9 Å²	50.9	47%	0.466	27%	0.266	S	S	.	.	H	α-helix	trans	-55.4	-44	-178.7	-178.4	65.7	0	0	0	113.3	E125 A126 Q131 R132 K133	E125-L129 PolarHBondContact O-N 2.77Å; A126-L129 PolarHBondContact O-N 2.61Å; L129-Q131 VanDerWaalsContact C-N 3.33Å; L129-Q131 PolarHBondContact O-N 2.95Å; L129-R132 PolarHBondContact O-N 2.9Å; L129-K133 WeakPolarHBondContact O-CG 3.31Å; L129-K133 PolarHBondContact O-N 3.08Å; L129-K133 VanDerWaalsContact O-N 3.17Å
130	P	92.1	Very high	92	Very high	82 Å²	82	48.9 Å²	48.9	53%	0.532	26%	0.259	S	S	.	.	H	α-helix	trans	-61.9	-36.9	172.4	-22.6	35.3	0	0	0	113.3	M127 K133 S134	M127-P130 VanDerWaalsContact O-CD 3.32Å; M127-P130 WeakPolarHBondContact O-CD 3.17Å; P130-K133 PolarHBondContact O-N 3.11Å; P130-S134 WeakPolarHBondContact O-CB 3.46Å; P130-S134 PolarHBondContact O-N 3.17Å
131	Q	93.2	Very high	91.7	Very high	4 Å²	4	54.8 Å²	54.8	2%	0.019	29%	0.29	C	S	.	.	H	α-helix	trans	-68.7	-42.6	178.5	-65.2	-178.8	31.4	0	0	111.7	L128 L129 K133 S134 I135 L146 N473 A521	L128-Q131 WeakPolarHBondContact O-CA 3.3Å; L128-Q131 WeakPolarHBondContact O-CB 3.3Å; L128-Q131 PolarHBondContact O-N 2.65Å; L129-Q131 VanDerWaalsContact C-N 3.33Å; L129-Q131 PolarHBondContact O-N 2.95Å; Q131-K133 VanDerWaalsContact C-N 3.31Å; Q131-K133 PolarHBondContact O-N 3.29Å; Q131-S134 CarbonylContact O-C 3.57Å; Q131-S134 WeakPolarHBondContact O-CA 3.33Å; Q131-S134 VanDerWaalsContact O-CB 3.28Å; Q131-S134 WeakPolarHBondContact O-CB 3.44Å; Q131-S134 PolarHBondContact O-N 3.26Å; Q131-S134 VanDerWaalsContact O-N 3.08Å; Q131-I135 PolarHBondContact O-N 3.48Å; Q131-L146 HydrophobicContact CB-CD1 4.05Å; Q131-N473 PolarHBondContact NE2-O 2.52Å; Q131-A521 WeakPolarHBondContact CA-O 3.15Å; Q131-A521 HydrophobicContact CB-CB 4.45Å; Q131-A521 HydrophobicContact CG-CB 4.49Å
132	R	93.9	Very high	91.4	Very high	70 Å²	70	48.8 Å²	48.8	26%	0.264	27%	0.267	S	S	.	.	H	α-helix	trans	-57.2	-44.8	173.6	-70.7	-178.2	-176.2	-114.1	-5.4	111.6	L128 L129 S134 I135 A136 L146 D147	L128-R132 PolarHBondContact O-N 3.37Å; L129-R132 PolarHBondContact O-N 2.9Å; R132-S134 VanDerWaalsContact C-N 3.33Å; R132-I135 WeakPolarHBondContact O-CG1 3.4Å; R132-A136 VanDerWaalsContact O-CB 3.31Å; R132-A136 WeakPolarHBondContact O-CB 3.41Å; R132-A136 PolarHBondContact O-N 2.89Å; R132-A136 VanDerWaalsContact O-N 3.12Å; R132-L146 HydrophobicContact CG-CD1 3.9Å; R132-D147 IonicContact CZ-OD1 2.7Å; R132-D147 VanDerWaalsContact CZ-OD1 3.23Å; R132-D147 IonicContact NH1-OD1 2.76Å; R132-D147 PolarHBondContact NH1-OD1 3.36Å; R132-D147 IonicContact NH2-OD1 3.1Å; R132-D147 PolarHBondContact NH2-OD1 3.06Å
133	K	92.3	Very high	91.2	Very high	138 Å²	138	49.5 Å²	49.5	60%	0.6	27%	0.269	S	S	*	.	H	α-helix	trans	-64.4	-38.8	175.2	-69.8	178.1	-177.5	179.9	0	112	L129 P130 Q131 R137	L129-K133 WeakPolarHBondContact O-CG 3.31Å; L129-K133 PolarHBondContact O-N 3.08Å; L129-K133 VanDerWaalsContact O-N 3.17Å; P130-K133 PolarHBondContact O-N 3.11Å; Q131-K133 VanDerWaalsContact C-N 3.31Å; Q131-K133 PolarHBondContact O-N 3.29Å; K133-R137 WeakPolarHBondContact O-CB 3.13Å; K133-R137 PolarHBondContact O-N 3.17Å
134	S	91	Very high	91	Very high	3 Å²	3	50.1 Å²	50.1	2%	0.021	27%	0.273	C	S	.	.	H	α-helix	trans	-61	-57	176.5	149.5	0	0	0	0	111.2	P130 Q131 R132 A136 R137 T138 A521 A523	P130-S134 WeakPolarHBondContact O-CB 3.46Å; P130-S134 PolarHBondContact O-N 3.17Å; Q131-S134 CarbonylContact O-C 3.57Å; Q131-S134 WeakPolarHBondContact O-CA 3.33Å; Q131-S134 VanDerWaalsContact O-CB 3.28Å; Q131-S134 WeakPolarHBondContact O-CB 3.44Å; Q131-S134 PolarHBondContact O-N 3.26Å; Q131-S134 VanDerWaalsContact O-N 3.08Å; R132-S134 VanDerWaalsContact C-N 3.33Å; S134-A136 VanDerWaalsContact C-N 3.29Å; S134-A136 PolarHBondContact O-N 3.24Å; S134-R137 PolarHBondContact O-N 3.36Å; S134-T138 WeakPolarHBondContact O-CG2 3.06Å; S134-T138 PolarHBondContact O-N 2.91Å; S134-T138 PolarHBondContact O-OG1 2.95Å; S134-A521 VanDerWaalsContact CB-O 3.25Å; S134-A521 WeakPolarHBondContact CB-O 3.44Å; S134-A521 PolarHBondContact OG-O 2.8Å; S134-A523 VanDerWaalsContact CB-O 3.25Å; S134-A523 WeakPolarHBondContact CB-O 3.47Å; S134-A523 PolarHBondContact OG-N 2.68Å; S134-A523 PolarHBondContact OG-O 2.85Å
135	I	90.5	Very high	90.7	Very high	5 Å²	5	50.1 Å²	50.1	3%	0.026	27%	0.273	C	S	.	.	H	α-helix	trans	-64.5	-33.8	-177.2	65.4	168.4	0	0	0	112.5	Q131 R132 T138 G139 I140 Q143 L146 A521	Q131-I135 PolarHBondContact O-N 3.48Å; R132-I135 WeakPolarHBondContact O-CG1 3.4Å; I135-T138 WeakPolarHBondContact CA-OG1 3.26Å; I135-T138 PolarHBondContact O-OG1 3.12Å; I135-G139 WeakPolarHBondContact O-CA 3.31Å; I135-G139 PolarHBondContact O-N 3.27Å; I135-I140 PolarHBondContact O-N 2.93Å; I135-Q143 HydrophobicContact CD1-CB 4.14Å; I135-L146 HydrophobicContact CD1-CD1 3.59Å; I135-L146 HydrophobicContact CD1-CG 4.3Å; I135-L146 HydrophobicContact CG1-CD1 4.28Å; I135-A521 HydrophobicContact CG2-CB 4.36Å
136	A	89.9	Confident	90.6	Very high	82 Å²	82	47 Å²	47	68%	0.678	26%	0.258	S	S	*	.	H	α-helix	trans	-66.2	-38	174.1	0	0	0	0	0	112	R132 S134	R132-A136 VanDerWaalsContact O-CB 3.31Å; R132-A136 WeakPolarHBondContact O-CB 3.41Å; R132-A136 PolarHBondContact O-N 2.89Å; R132-A136 VanDerWaalsContact O-N 3.12Å; S134-A136 VanDerWaalsContact C-N 3.29Å; S134-A136 PolarHBondContact O-N 3.24Å
137	R	88.3	Confident	90.6	Very high	149 Å²	149	46.8 Å²	46.8	56%	0.562	25%	0.248	S	C	*	.	H	α-helix	trans	-74.4	-39.6	177.1	179.1	174.3	57.6	-177.6	-10.3	112.4	K133 S134 G139 Q524	K133-R137 WeakPolarHBondContact O-CB 3.13Å; K133-R137 PolarHBondContact O-N 3.17Å; S134-R137 PolarHBondContact O-N 3.36Å; R137-G139 VanDerWaalsContact C-N 3.35Å; R137-Q524 PolarHBondContact NE-O 2.95Å; R137-Q524 VanDerWaalsContact NH2-C 3.3Å; R137-Q524 PolarHBondContact NH2-O 3.13Å
138	T	87	Confident	90.6	Very high	9 Å²	9	47 Å²	47	6%	0.055	25%	0.249	C	C	.	.	H	α-helix	trans	-84	-10	-179.4	58	0	0	0	0	112.7	S134 I135 I140 A523 R554	S134-T138 WeakPolarHBondContact O-CG2 3.06Å; S134-T138 PolarHBondContact O-N 2.91Å; S134-T138 PolarHBondContact O-OG1 2.95Å; I135-T138 WeakPolarHBondContact CA-OG1 3.26Å; I135-T138 PolarHBondContact O-OG1 3.12Å; T138-I140 VanDerWaalsContact C-N 3.31Å; T138-I140 PolarHBondContact O-N 3.17Å; T138-I140 VanDerWaalsContact OG1-CD1 3.28Å; T138-I140 WeakPolarHBondContact OG1-CD1 3.46Å; T138-I140 WeakPolarHBondContact OG1-CG1 3.49Å; T138-A523 HydrophobicContact CG2-CB 4.46Å; T138-R554 PolarHBondContact O-NH1 3.42Å
139	G	86.1	Confident	90.5	Very high	35 Å²	35	47.9 Å²	47.9	36%	0.361	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.7	27.5	179	0	0	0	0	0	114	I135 R137	I135-G139 WeakPolarHBondContact O-CA 3.31Å; I135-G139 PolarHBondContact O-N 3.27Å; R137-G139 VanDerWaalsContact C-N 3.35Å
140	I	86.5	Confident	90.7	Very high	5 Å²	5	43.9 Å²	43.9	3%	0.026	23%	0.232	C	C	.	.			trans	-91.6	128.3	178.6	-55.9	166.8	0	0	0	109	I135 T138 L142 I520 L527 L550	I135-I140 PolarHBondContact O-N 2.93Å; T138-I140 VanDerWaalsContact C-N 3.31Å; T138-I140 PolarHBondContact O-N 3.17Å; T138-I140 VanDerWaalsContact OG1-CD1 3.28Å; T138-I140 WeakPolarHBondContact OG1-CD1 3.46Å; T138-I140 WeakPolarHBondContact OG1-CG1 3.49Å; I140-L142 VanDerWaalsContact C-N 3.32Å; I140-L142 HydrophobicContact CG2-CB 4.48Å; I140-L142 HydrophobicContact CG2-CD1 3.72Å; I140-L142 HydrophobicContact CG2-CG 3.79Å; I140-L142 PolarHBondContact O-N 2.89Å; I140-I520 HydrophobicContact CD1-CG2 4.15Å; I140-L527 HydrophobicContact CD1-CD2 3.35Å; I140-L527 HydrophobicContact CD1-CG 4.42Å; I140-L527 HydrophobicContact CG1-CD2 4.31Å; I140-L550 HydrophobicContact CG1-CD2 4.09Å
141	L	86.6	Confident	90.8	Very high	124 Å²	124	45 Å²	45	65%	0.649	24%	0.237	S	C	*	.			trans	-83.4	66.7	-176.6	-57.9	177.6	0	0	0	112.6	S549	L141-S549 PolarHBondContact N-O 3.47Å
142	L	88	Confident	90.9	Very high	5 Å²	5	46.1 Å²	46.1	3%	0.026	25%	0.245	C	C	.	.			trans	-115.1	16.1	177.5	-72.3	172.4	0	0	0	113.8	I140 D144 V145 L146 I520	I140-L142 VanDerWaalsContact C-N 3.32Å; I140-L142 HydrophobicContact CG2-CB 4.48Å; I140-L142 HydrophobicContact CG2-CD1 3.72Å; I140-L142 HydrophobicContact CG2-CG 3.79Å; I140-L142 PolarHBondContact O-N 2.89Å; L142-D144 VanDerWaalsContact C-N 3.29Å; L142-D144 PolarHBondContact O-N 3.47Å; L142-V145 HydrophobicContact CD2-CG2 4.05Å; L142-V145 PolarHBondContact O-N 3.06Å; L142-L146 PolarHBondContact O-N 3.1Å; L142-I520 HydrophobicContact CD1-CG2 4.09Å
143	Q	89.9	Confident	91	Very high	72 Å²	72	43.1 Å²	43.1	34%	0.336	23%	0.234	S	C	.	.	H	α-helix	trans	-62.8	-36.4	-177.3	-177.2	57.5	45.2	0	0	112.2	I135 V145 L146 D147	I135-Q143 HydrophobicContact CD1-CB 4.14Å; Q143-V145 VanDerWaalsContact C-N 3.34Å; Q143-V145 PolarHBondContact O-N 3.46Å; Q143-L146 PolarHBondContact O-N 3.12Å; Q143-D147 PolarHBondContact NE2-OD1 3.41Å; Q143-D147 PolarHBondContact NE2-OD2 3.3Å; Q143-D147 WeakPolarHBondContact O-CB 3.47Å; Q143-D147 PolarHBondContact O-N 3.14Å
144	D	89.2	Confident	91.1	Very high	33 Å²	33	38.4 Å²	38.4	18%	0.176	22%	0.217	C	C	.	.	H	α-helix	trans	-58.6	-43.2	174.9	60.9	-48.6	0	0	0	112.1	L142 D147 E148 L967 R970	L142-D144 VanDerWaalsContact C-N 3.29Å; L142-D144 PolarHBondContact O-N 3.47Å; D144-D147 PolarHBondContact O-N 2.83Å; D144-E148 WeakPolarHBondContact O-CB 3.45Å; D144-E148 PolarHBondContact O-N 3.47Å; D144-L967 HydrophobicContact CB-CD1 4Å; D144-L967 WeakPolarHBondContact OD2-CD1 3.49Å; D144-R970 IonicContact OD2-CZ 2.61Å; D144-R970 IonicContact OD2-NH1 2.74Å; D144-R970 PolarHBondContact OD2-NH1 2.51Å; D144-R970 IonicContact OD2-NH2 3.83Å; D144-R970 PolarHBondContact OD2-NH2 3.05Å; D144-R970 VanDerWaalsContact OD2-NH2 3.13Å
145	V	88.7	Confident	91.2	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-68	-41.8	179.1	-178.6	0	0	0	0	110.6	L142 Q143 E148 K149 E517 E943	L142-V145 HydrophobicContact CD2-CG2 4.05Å; L142-V145 PolarHBondContact O-N 3.06Å; Q143-V145 VanDerWaalsContact C-N 3.34Å; Q143-V145 PolarHBondContact O-N 3.46Å; V145-E148 PolarHBondContact O-N 2.87Å; V145-K149 WeakPolarHBondContact O-CG 3.32Å; V145-K149 PolarHBondContact O-N 3.49Å; V145-E517 VanDerWaalsContact CG1-OE1 3.24Å; V145-E517 WeakPolarHBondContact CG1-OE1 3.44Å; V145-E943 HydrophobicContact CG1-CB 4.3Å; V145-E943 HydrophobicContact CG1-CG 4.23Å
146	L	92.8	Very high	91.4	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-66.1	-39.5	176.7	-62.5	-169	0	0	0	112.8	L128 Q131 R132 I135 L142 Q143 K149 V150 A521	L128-L146 HydrophobicContact CD2-CD2 4.21Å; Q131-L146 HydrophobicContact CB-CD1 4.05Å; R132-L146 HydrophobicContact CG-CD1 3.9Å; I135-L146 HydrophobicContact CD1-CD1 3.59Å; I135-L146 HydrophobicContact CD1-CG 4.3Å; I135-L146 HydrophobicContact CG1-CD1 4.28Å; L142-L146 PolarHBondContact O-N 3.1Å; Q143-L146 PolarHBondContact O-N 3.12Å; L146-K149 HydrophobicContact CD2-CD 4.28Å; L146-K149 PolarHBondContact O-N 3.21Å; L146-V150 PolarHBondContact O-N 3.04Å; L146-A521 HydrophobicContact CD2-CB 4.45Å
147	D	94.3	Very high	91.7	Very high	62 Å²	62	39.8 Å²	39.8	33%	0.332	21%	0.214	S	C	.	.	H	α-helix	trans	-69.6	-36	177	-71.4	-32.3	0	0	0	111.8	R132 Q143 D144 V150 T151	R132-D147 IonicContact CZ-OD1 2.7Å; R132-D147 VanDerWaalsContact CZ-OD1 3.23Å; R132-D147 IonicContact NH1-OD1 2.76Å; R132-D147 PolarHBondContact NH1-OD1 3.36Å; R132-D147 IonicContact NH2-OD1 3.1Å; R132-D147 PolarHBondContact NH2-OD1 3.06Å; Q143-D147 PolarHBondContact NE2-OD1 3.41Å; Q143-D147 PolarHBondContact NE2-OD2 3.3Å; Q143-D147 WeakPolarHBondContact O-CB 3.47Å; Q143-D147 PolarHBondContact O-N 3.14Å; D144-D147 PolarHBondContact O-N 2.83Å; D147-V150 PolarHBondContact O-N 2.64Å; D147-T151 PolarHBondContact O-N 2.76Å; D147-T151 PolarHBondContact O-OG1 3.45Å; D147-T151 VanDerWaalsContact O-OG1 3.04Å
148	E	93.6	Very high	92.1	Very high	19 Å²	19	32.8 Å²	32.8	9%	0.089	19%	0.188	C	C	.	.	H	α-helix	trans	-61.9	-47.6	170.9	-177.2	177.1	-112.8	0	0	111.4	D144 V145 V150 T151 T152 G940 P941 L942 E943	D144-E148 WeakPolarHBondContact O-CB 3.45Å; D144-E148 PolarHBondContact O-N 3.47Å; V145-E148 PolarHBondContact O-N 2.87Å; E148-V150 PolarHBondContact O-N 3.45Å; E148-T151 CarbonylContact O-C 3.53Å; E148-T151 WeakPolarHBondContact O-CA 3.49Å; E148-T151 WeakPolarHBondContact O-CB 3.29Å; E148-T151 PolarHBondContact O-N 3.06Å; E148-T152 PolarHBondContact O-N 3.49Å; E148-T152 PolarHBondContact O-OG1 2.96Å; E148-G940 VanDerWaalsContact OE2-CA 3.28Å; E148-G940 WeakPolarHBondContact OE2-CA 3.36Å; E148-P941 WeakPolarHBondContact OE1-CD 3.34Å; E148-P941 VanDerWaalsContact OE1-CG 3.29Å; E148-P941 WeakPolarHBondContact OE1-CG 3.33Å; E148-L942 HydrophobicContact CB-CD1 4.18Å; E148-L942 VanDerWaalsContact CD-CB 3.45Å; E148-L942 VanDerWaalsContact CD-N 3.31Å; E148-L942 HydrophobicContact CG-CD1 4.44Å; E148-L942 VanDerWaalsContact OE1-CB 3.24Å; E148-L942 WeakPolarHBondContact OE1-CB 3.31Å; E148-L942 WeakPolarHBondContact OE1-CD1 3.49Å; E148-L942 WeakPolarHBondContact OE1-CG 3.42Å; E148-L942 PolarHBondContact OE1-N 2.86Å; E148-L942 WeakPolarHBondContact OE2-CA 3.12Å; E148-L942 VanDerWaalsContact OE2-CB 3.27Å; E148-L942 WeakPolarHBondContact OE2-CB 3.26Å; E148-L942 PolarHBondContact OE2-N 2.75Å; E148-L942 VanDerWaalsContact OE2-N 3.08Å; E148-E943 PolarHBondContact OE2-N 2.78Å
149	K	94.6	Very high	92.4	Very high	19 Å²	19	33.3 Å²	33.3	8%	0.083	19%	0.189	C	C	.	.	H	α-helix	trans	-52	-43.8	178	-75.2	176.3	-170.6	-64.3	0	111.9	L128 V145 L146 L153 E517 E943	L128-K149 HydrophobicContact CD1-CB 4.25Å; V145-K149 WeakPolarHBondContact O-CG 3.32Å; V145-K149 PolarHBondContact O-N 3.49Å; L146-K149 HydrophobicContact CD2-CD 4.28Å; L146-K149 PolarHBondContact O-N 3.21Å; K149-L153 VanDerWaalsContact O-CB 3.3Å; K149-L153 WeakPolarHBondContact O-CB 3.24Å; K149-L153 WeakPolarHBondContact O-CG 3.44Å; K149-L153 PolarHBondContact O-N 2.95Å; K149-E517 WeakPolarHBondContact CE-OE1 3.44Å; K149-E517 IonicContact NZ-OE1 3.47Å; K149-E943 IonicContact NZ-OE1 2.78Å; K149-E943 PolarHBondContact NZ-OE1 2.79Å; K149-E943 IonicContact NZ-OE2 3.35Å; K149-E943 PolarHBondContact NZ-OE2 3.04Å
150	V	96.3	Very high	92.9	Very high	4 Å²	4	32.3 Å²	32.3	2%	0.024	17%	0.174	C	C	.	.	H	α-helix	trans	-59.9	-49.8	175.3	177.4	0	0	0	0	110.8	R121 I124 E125 L128 L146 D147 E148 T154	R121-V150 HydrophobicContact CG-CG1 4.06Å; I124-V150 HydrophobicContact CG1-CG2 4.2Å; I124-V150 HydrophobicContact CG2-CG1 4.19Å; I124-V150 HydrophobicContact CG2-CG2 4.37Å; E125-V150 HydrophobicContact CG-CG1 4.12Å; E125-V150 HydrophobicContact CG-CG2 4.18Å; L128-V150 HydrophobicContact CD1-CG2 3.74Å; L146-V150 PolarHBondContact O-N 3.04Å; D147-V150 PolarHBondContact O-N 2.64Å; E148-V150 PolarHBondContact O-N 3.45Å; V150-T154 VanDerWaalsContact O-CB 3.25Å; V150-T154 WeakPolarHBondContact O-CB 3.46Å; V150-T154 PolarHBondContact O-N 3.04Å; V150-T154 PolarHBondContact O-OG1 3.34Å
151	T	94.9	Very high	93.4	Very high	105 Å²	105	33.9 Å²	33.9	64%	0.644	18%	0.18	S	C	*	.	H	α-helix	trans	-62.7	-44	-178.4	-54.8	0	0	0	0	112.3	D147 E148 P155	D147-T151 PolarHBondContact O-N 2.76Å; D147-T151 PolarHBondContact O-OG1 3.45Å; D147-T151 VanDerWaalsContact O-OG1 3.04Å; E148-T151 CarbonylContact O-C 3.53Å; E148-T151 WeakPolarHBondContact O-CA 3.49Å; E148-T151 WeakPolarHBondContact O-CB 3.29Å; E148-T151 PolarHBondContact O-N 3.06Å; T151-P155 VanDerWaalsContact O-CD 3.27Å; T151-P155 WeakPolarHBondContact O-CD 3.45Å
152	T	94.2	Very high	93.9	Very high	29 Å²	29	28.3 Å²	28.3	18%	0.178	15%	0.152	C	C	.	.	H	α-helix	trans	-70.6	-40.8	-177.8	-60.5	0	0	0	0	112.6	E148 W156 T938 G940	E148-T152 PolarHBondContact O-N 3.49Å; E148-T152 PolarHBondContact O-OG1 2.96Å; T152-W156 VanDerWaalsContact O-CD1 3.27Å; T152-T938 HydrophobicContact CG2-CG2 3.89Å; T152-G940 WeakPolarHBondContact OG1-CA 3.37Å
153	L	95.6	Very high	94.4	Very high	7 Å²	7	28.2 Å²	28.2	4%	0.037	15%	0.151	C	C	.	.	H	α-helix	trans	-84.2	-33.7	-175.1	-73.1	165.3	0	0	0	113.2	I124 K149 P155 W156 L157 M475	I124-L153 HydrophobicContact CD1-CD1 3.83Å; I124-L153 HydrophobicContact CG1-CD1 4.3Å; K149-L153 VanDerWaalsContact O-CB 3.3Å; K149-L153 WeakPolarHBondContact O-CB 3.24Å; K149-L153 WeakPolarHBondContact O-CG 3.44Å; K149-L153 PolarHBondContact O-N 2.95Å; L153-P155 VanDerWaalsContact C-CD 3.41Å; L153-P155 VanDerWaalsContact C-N 3.33Å; L153-P155 VanDerWaalsContact O-N 3.14Å; L153-W156 PolarHBondContact O-N 2.83Å; L153-L157 HydrophobicContact CB-CD1 3.78Å; L153-L157 HydrophobicContact CB-CG 4.14Å; L153-L157 WeakPolarHBondContact O-CG 3.46Å; L153-L157 PolarHBondContact O-N 3.24Å; L153-L157 VanDerWaalsContact O-N 3.13Å; L153-M475 HydrophobicContact CD1-CB 4Å; L153-M475 HydrophobicContact CD1-CG 4.16Å
154	T	95.7	Very high	94.7	Very high	39 Å²	39	24.8 Å²	24.8	24%	0.239	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.9	-44.3	-175.3	-68.1	0	0	0	0	114.3	R121 V150 W156 L157	R121-T154 HydrophobicContact CB-CG2 3.86Å; R121-T154 HydrophobicContact CG-CG2 4.48Å; V150-T154 VanDerWaalsContact O-CB 3.25Å; V150-T154 WeakPolarHBondContact O-CB 3.46Å; V150-T154 PolarHBondContact O-N 3.04Å; V150-T154 PolarHBondContact O-OG1 3.34Å; T154-W156 PolarHBondContact O-N 3.08Å; T154-W156 VanDerWaalsContact O-N 3.13Å; T154-L157 PolarHBondContact O-N 3.44Å
155	P	93.2	Very high	95.2	Very high	79 Å²	79	23.2 Å²	23.2	51%	0.513	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-18.8	179.4	-24	35.5	0	0	0	115.2	T151 L153 R332	T151-P155 VanDerWaalsContact O-CD 3.27Å; T151-P155 WeakPolarHBondContact O-CD 3.45Å; L153-P155 VanDerWaalsContact C-CD 3.41Å; L153-P155 VanDerWaalsContact C-N 3.33Å; L153-P155 VanDerWaalsContact O-N 3.14Å; P155-R332 PolarHBondContact O-NH2 3.02Å
156	W	93.9	Very high	95.6	Very high	38 Å²	38	23.2 Å²	23.2	14%	0.144	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-24.2	-176.8	-55.2	108.4	0	0	0	113.1	T152 L153 T154 R332 H477 G481 D914	T152-W156 VanDerWaalsContact O-CD1 3.27Å; L153-W156 PolarHBondContact O-N 2.83Å; T154-W156 PolarHBondContact O-N 3.08Å; T154-W156 VanDerWaalsContact O-N 3.13Å; W156-R332 VanDerWaalsContact CE3-NH1 3.25Å; W156-H477 AromaticContact CG-NE2 4Å; W156-G481 WeakPolarHBondContact O-CA 3.38Å; W156-D914 HydrophobicContact CH2-CB 4.01Å; W156-D914 WeakPolarHBondContact CH2-O 3.26Å; W156-D914 WeakPolarHBondContact CZ2-O 3.29Å
157	L	96.1	Very high	95.8	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.01	13%	0.126	C	C	.	.			trans	-82	131	-174.8	-65.8	176.2	0	0	0	112.1	G120 I124 L153 T154 M475 H477 G481 A483	G120-L157 WeakPolarHBondContact CA-O 3.27Å; I124-L157 HydrophobicContact CB-CD1 3.78Å; I124-L157 HydrophobicContact CG2-CD1 3.95Å; L153-L157 HydrophobicContact CB-CD1 3.78Å; L153-L157 HydrophobicContact CB-CG 4.14Å; L153-L157 WeakPolarHBondContact O-CG 3.46Å; L153-L157 PolarHBondContact O-N 3.24Å; L153-L157 VanDerWaalsContact O-N 3.13Å; T154-L157 PolarHBondContact O-N 3.44Å; L157-M475 HydrophobicContact CD1-CG 3.96Å; L157-M475 HydrophobicContact CD2-CG 3.89Å; L157-M475 HydrophobicContact CD2-SD 4.06Å; L157-H477 HydrophobicContact CD2-CB 3.87Å; L157-G481 CarbonylContact C-O 3.59Å; L157-A483 HydrophobicContact CD2-CB 3.92Å
158	V	96.2	Very high	95.9	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.012	11%	0.111	C	C	.	.	B	Isolated β-bridge	trans	-119.7	125.4	170.4	-178.5	0	0	0	0	107.6	R115 P117 E160 R332 G481 A483	R115-V158 HydrophobicContact CB-CG1 3.87Å; P117-V158 HydrophobicContact CB-CG2 4.21Å; V158-E160 PolarHBondContact O-N 3.49Å; V158-R332 HydrophobicContact CG2-CG 3.54Å; V158-G481 WeakPolarHBondContact CB-O 3.14Å; V158-G481 PolarHBondContact N-O 2.8Å; V158-A483 PolarHBondContact O-N 3.18Å
159	R	95.3	Very high	95.9	Very high	20 Å²	20	19.6 Å²	19.6	8%	0.075	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	115.2	171	-176	-178.4	79.5	-168.2	5.4	108.6	E114 R115 D116 R119 E123 R161	E114-R159 IonicContact OE1-CZ 3.23Å; E114-R159 IonicContact OE1-NH2 2.68Å; E114-R159 PolarHBondContact OE1-NH2 2.87Å; R115-R159 CarbonylContact C-O 3.48Å; R115-R159 WeakPolarHBondContact CA-O 3.36Å; D116-R159 HydrophobicContact CB-CB 4.39Å; D116-R159 PolarHBondContact N-O 2.92Å; D116-R159 WeakPolarHBondContact O-CB 3.46Å; D116-R159 PolarHBondContact O-N 3.35Å; D116-R159 IonicContact OD2-NH2 3.04Å; R119-R159 HydrophobicContact CB-CB 3.76Å; R119-R159 HydrophobicContact CB-CG 4.39Å; E123-R159 HydrophobicContact CG-CB 4.07Å; E123-R159 HydrophobicContact CG-CG 4.11Å; E123-R159 WeakPolarHBondContact OE1-CD 3.39Å; E123-R159 VanDerWaalsContact OE1-CG 3.29Å; E123-R159 WeakPolarHBondContact OE1-CG 3.5Å; R159-R161 HydrophobicContact CG-CG 4.38Å
160	E	96.1	Very high	95.8	Very high	13 Å²	13	21.1 Å²	21.1	6%	0.061	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	133.5	175.8	-170.4	162.6	122	0	0	110.3	F113 E114 R115 V158 R463 R469	F113-E160 HydrophobicContact CD2-CG 4.37Å; F113-E160 HydrophobicContact CE2-CG 3.36Å; F113-E160 WeakPolarHBondContact CE2-OE1 3.29Å; F113-E160 HydrophobicContact CZ-CG 3.57Å; F113-E160 WeakPolarHBondContact CZ-OE2 3.41Å; E114-E160 CarbonylContact O-C 3.52Å; E114-E160 WeakPolarHBondContact O-CA 3.26Å; R115-E160 HydrophobicContact CG-CG 4.32Å; R115-E160 IonicContact CZ-OE2 3.52Å; R115-E160 IonicContact NE-OE2 2.62Å; R115-E160 PolarHBondContact NE-OE2 2.89Å; R115-E160 IonicContact NH2-OE2 2.72Å; V158-E160 PolarHBondContact O-N 3.49Å; E160-R463 VanDerWaalsContact CD-NH2 3.32Å; E160-R463 IonicContact OE1-CZ 2.95Å; E160-R463 IonicContact OE1-NE 3.06Å; E160-R463 PolarHBondContact OE1-NE 3.46Å; E160-R463 IonicContact OE1-NH2 2.7Å; E160-R463 PolarHBondContact OE1-NH2 3.01Å; E160-R463 VanDerWaalsContact OE1-NH2 3.1Å; E160-R463 IonicContact OE2-CZ 3.57Å; E160-R463 IonicContact OE2-NE 2.74Å; E160-R463 IonicContact OE2-NH2 3.01Å; E160-R463 PolarHBondContact OE2-NH2 2.97Å; E160-R469 PolarHBondContact O-NH2 2.79Å
161	R	95.6	Very high	95.5	Very high	38 Å²	38	26 Å²	26	14%	0.143	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	138.8	177.2	-65.5	-66	-178.8	-81.2	4.9	110.2	F113 E114 E123 R159 W163	F113-R161 CarbonylContact C-O 3.54Å; F113-R161 WeakPolarHBondContact CA-O 3.39Å; E114-R161 PolarHBondContact N-O 3.13Å; E114-R161 PolarHBondContact O-N 3.37Å; E123-R161 VanDerWaalsContact CD-NH2 3.29Å; E123-R161 IonicContact OE1-CZ 2.93Å; E123-R161 IonicContact OE1-NH1 2.73Å; E123-R161 PolarHBondContact OE1-NH1 3.17Å; E123-R161 IonicContact OE1-NH2 3.1Å; E123-R161 PolarHBondContact OE1-NH2 3Å; E123-R161 IonicContact OE2-CZ 2.8Å; E123-R161 IonicContact OE2-NH1 3.9Å; E123-R161 PolarHBondContact OE2-NH1 2.92Å; E123-R161 IonicContact OE2-NH2 3.59Å; E123-R161 PolarHBondContact OE2-NH2 3.14Å; R159-R161 HydrophobicContact CG-CG 4.38Å; R161-W163 HydrophobicContact CB-CE3 4.27Å; R161-W163 HydrophobicContact CB-CH2 3.18Å; R161-W163 HydrophobicContact CB-CZ2 3.47Å; R161-W163 VanDerWaalsContact CB-CZ2 3.47Å; R161-W163 HydrophobicContact CB-CZ3 3.6Å; R161-W163 HydrophobicContact CG-CH2 3.86Å; R161-W163 HydrophobicContact CG-CZ2 3.92Å
162	C	97.4	Very high	95.3	Very high	8 Å²	8	22.1 Å²	22.1	5%	0.054	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	134.7	178.8	-170.3	0	0	0	0	109.2	I68 V112 F113 P460	I68-C162 HydrophobicContact CB-CB 4.07Å; I68-C162 PolarHBondContact N-O 2.94Å; I68-C162 WeakPolarHBondContact O-CB 3.39Å; V112-C162 CarbonylContact O-C 3.51Å; V112-C162 WeakPolarHBondContact O-CA 3.44Å; F113-C162 HydrophobicContact CD2-CB 4.11Å; C162-P460 VanDerWaalsContact SG-CG 3.54Å
163	W	98.1	Very high	95.1	Very high	2 Å²	2	21 Å²	21	1%	0.008	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	142.6	-179.9	-57.6	-84	0	0	0	110.1	V65 F66 F111 V112 E114 R161 M236 E244 Q248 L437	V65-W163 HydrophobicContact CG1-CB 4.09Å; V65-W163 HydrophobicContact CG1-CG 4.47Å; F66-W163 CarbonylContact O-C 3.59Å; F66-W163 VanDerWaalsContact O-CA 3.28Å; F66-W163 WeakPolarHBondContact O-CA 3.36Å; F111-W163 WeakPolarHBondContact CA-O 3.47Å; V112-W163 HydrophobicContact CB-CE3 4.14Å; V112-W163 HydrophobicContact CG1-CE3 3.96Å; V112-W163 HydrophobicContact CG1-CZ3 4.28Å; V112-W163 PolarHBondContact N-O 2.7Å; V112-W163 PolarHBondContact O-N 2.92Å; E114-W163 HydrophobicContact CB-CH2 4.35Å; E114-W163 HydrophobicContact CB-CZ3 3.9Å; R161-W163 HydrophobicContact CB-CE3 4.27Å; R161-W163 HydrophobicContact CB-CH2 3.18Å; R161-W163 HydrophobicContact CB-CZ2 3.47Å; R161-W163 VanDerWaalsContact CB-CZ2 3.47Å; R161-W163 HydrophobicContact CB-CZ3 3.6Å; R161-W163 HydrophobicContact CG-CH2 3.86Å; R161-W163 HydrophobicContact CG-CZ2 3.92Å; W163-M236 VanDerWaalsContact CD1-SD 3.55Å; W163-E244 HydrophobicContact CZ2-CB 4.24Å; W163-E244 HydrophobicContact CZ2-CG 4.12Å; W163-Q248 VanDerWaalsContact CH2-NE2 3.34Å; W163-L437 HydrophobicContact CB-CD1 3.47Å; W163-L437 VanDerWaalsContact CB-CD1 3.47Å; W163-L437 HydrophobicContact CB-CD2 4.49Å; W163-L437 HydrophobicContact CD2-CD1 4.3Å; W163-L437 HydrophobicContact CD2-CD2 3.99Å; W163-L437 HydrophobicContact CG-CD1 3.8Å; W163-L437 HydrophobicContact CG-CD2 3.91Å; W163-L437 HydrophobicContact CG-CG 4.46Å
164	L	98	Very high	94.9	Very high	1 Å²	1	23 Å²	23	1%	0.005	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	112.5	169.8	173.5	62.9	0	0	0	109	V65 F66 I68 I109 F111 V166 L224	V65-L164 WeakPolarHBondContact CA-O 3.01Å; F66-L164 HydrophobicContact CB-CB 4.3Å; F66-L164 HydrophobicContact CD2-CD2 4.4Å; F66-L164 PolarHBondContact N-O 2.88Å; F66-L164 PolarHBondContact O-N 3.43Å; I68-L164 HydrophobicContact CD1-CB 3.66Å; I68-L164 HydrophobicContact CG1-CB 4.35Å; I109-L164 HydrophobicContact CB-CD1 3.86Å; I109-L164 HydrophobicContact CD1-CD1 4.32Å; I109-L164 HydrophobicContact CG1-CD1 4.42Å; I109-L164 HydrophobicContact CG2-CD1 4.47Å; F111-L164 HydrophobicContact CD2-CD1 3.64Å; F111-L164 HydrophobicContact CE1-CB 4.42Å; F111-L164 HydrophobicContact CE2-CD1 3.55Å; F111-L164 HydrophobicContact CE2-CD2 4.37Å; F111-L164 HydrophobicContact CE2-CG 4.42Å; F111-L164 HydrophobicContact CG-CD1 4.23Å; F111-L164 HydrophobicContact CZ-CB 4.42Å; F111-L164 HydrophobicContact CZ-CD1 4.07Å; F111-L164 HydrophobicContact CZ-CD2 4.28Å; L164-V166 HydrophobicContact CG-CG2 4.37Å; L164-L224 HydrophobicContact CD2-CD1 3.42Å; L164-L224 VanDerWaalsContact CD2-CD1 3.42Å
165	T	97.9	Very high	94.6	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	132.3	176.4	-50.2	0	0	0	0	109.6	L63 V65 I109 S110 W167 L437 A438	L63-T165 HydrophobicContact CD1-CG2 3Å; L63-T165 HydrophobicContact CG-CG2 4.43Å; V65-T165 HydrophobicContact CG2-CG2 4.23Å; I109-T165 CarbonylContact C-O 3.55Å; I109-T165 WeakPolarHBondContact CA-O 3.46Å; S110-T165 PolarHBondContact N-O 2.71Å; S110-T165 PolarHBondContact O-N 2.74Å; T165-W167 HydrophobicContact CG2-CD2 4.4Å; T165-W167 HydrophobicContact CG2-CZ2 3.82Å; T165-L437 WeakPolarHBondContact OG1-CD1 3.31Å; T165-A438 HydrophobicContact CG2-CB 4.16Å
166	V	97.5	Very high	94.5	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	126.7	178.3	-175.2	0	0	0	0	109.3	L63 S64 F66 I109 L164 H213 L216 L217 L220	L63-V166 WeakPolarHBondContact CA-O 3.48Å; S64-V166 PolarHBondContact N-O 3.33Å; S64-V166 PolarHBondContact O-N 3.43Å; F66-V166 HydrophobicContact CD2-CG2 4.27Å; F66-V166 HydrophobicContact CE2-CG2 4.27Å; I109-V166 HydrophobicContact CG2-CG2 4.34Å; L164-V166 HydrophobicContact CG-CG2 4.37Å; V166-H213 PolarHBondContact O-CE1 3.28Å; V166-L216 HydrophobicContact CG1-CD2 3.54Å; V166-L216 HydrophobicContact CG1-CG 4.05Å; V166-L217 HydrophobicContact CB-CD2 3.83Å; V166-L217 HydrophobicContact CG1-CD2 4.03Å; V166-L217 HydrophobicContact CG2-CD2 3.85Å; V166-L220 HydrophobicContact CB-CD1 4.49Å; V166-L220 HydrophobicContact CG1-CD1 4.09Å; V166-L220 HydrophobicContact CG2-CD1 3.55Å
167	W	96.8	Very high	94.3	Very high	1 Å²	1	33.3 Å²	33.3	0%	0.004	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	137.7	-179.7	-52.4	81.4	0	0	0	110.7	T57 Y62 L63 H107 K108 S110 T165 A438 H441	T57-W167 HydrophobicContact CG2-CE3 4.39Å; T57-W167 HydrophobicContact CG2-CZ3 3.65Å; Y62-W167 CarbonylContact O-C 3.54Å; Y62-W167 VanDerWaalsContact O-CA 3.25Å; Y62-W167 WeakPolarHBondContact O-CA 3.26Å; L63-W167 HydrophobicContact CB-CE3 3.97Å; L63-W167 HydrophobicContact CB-CZ3 3.95Å; L63-W167 HydrophobicContact CD1-CD2 3.81Å; L63-W167 HydrophobicContact CD1-CE3 3.87Å; L63-W167 HydrophobicContact CD1-CH2 3.8Å; L63-W167 HydrophobicContact CD1-CZ2 3.73Å; L63-W167 HydrophobicContact CD1-CZ3 3.85Å; L63-W167 HydrophobicContact CD2-CH2 3.98Å; L63-W167 HydrophobicContact CD2-CZ3 4.06Å; L63-W167 HydrophobicContact CG-CE3 4.42Å; L63-W167 HydrophobicContact CG-CH2 4.36Å; L63-W167 HydrophobicContact CG-CZ3 4.18Å; H107-W167 VanDerWaalsContact CA-O 3.32Å; H107-W167 WeakPolarHBondContact CA-O 3.17Å; K108-W167 HydrophobicContact CB-CB 4.06Å; K108-W167 HydrophobicContact CB-CG 4.36Å; K108-W167 VanDerWaalsContact CE-NE1 3.33Å; K108-W167 PolarHBondContact N-O 2.83Å; K108-W167 PolarHBondContact O-N 2.89Å; S110-W167 PolarHBondContact OG-NE1 2.87Å; T165-W167 HydrophobicContact CG2-CD2 4.4Å; T165-W167 HydrophobicContact CG2-CZ2 3.82Å; W167-A438 VanDerWaalsContact CH2-O 3.31Å; W167-A438 WeakPolarHBondContact CH2-O 3.41Å; W167-H441 HydrophobicContact CE3-CB 4.07Å; W167-H441 HydrophobicContact CH2-CB 4.31Å; W167-H441 HydrophobicContact CZ3-CB 3.96Å
168	S	96.3	Very high	94	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	131.2	172.9	-62.3	0	0	0	0	110.5	Y61 Y62 G106 H107 H213	Y61-S168 CarbonylContact C-O 3.59Å; Y61-S168 WeakPolarHBondContact CA-O 3.38Å; Y62-S168 PolarHBondContact N-O 2.97Å; Y62-S168 PolarHBondContact O-N 3.34Å; G106-S168 CarbonylContact O-C 3.52Å; G106-S168 WeakPolarHBondContact O-CA 3.25Å; H107-S168 PolarHBondContact CE1-OG 2.72Å; H107-S168 PolarHBondContact ND1-OG 3.37Å; H107-S168 VanDerWaalsContact ND1-OG 3.09Å; S168-H213 WeakPolarHBondContact CB-ND1 3.34Å; S168-H213 PolarHBondContact OG-ND1 2.9Å
169	S	94.7	Very high	93.7	Very high	4 Å²	4	43.3 Å²	43.3	3%	0.028	20%	0.201	C	C	.	.			trans	-107.5	163.4	-178.6	87	0	0	0	0	112.2	G106 E171 L172 L209	G106-S169 WeakPolarHBondContact CA-OG 3.37Å; G106-S169 PolarHBondContact O-N 3.06Å; G106-S169 PolarHBondContact O-OG 3.28Å; S169-E171 PolarHBondContact O-N 3.18Å; S169-E171 VanDerWaalsContact OG-CB 3.23Å; S169-E171 WeakPolarHBondContact OG-CB 3.09Å; S169-E171 WeakPolarHBondContact OG-CG 3.36Å; S169-E171 PolarHBondContact OG-N 3.13Å; S169-E171 VanDerWaalsContact OG-N 3.09Å; S169-L172 WeakPolarHBondContact O-CG 3.45Å; S169-L172 PolarHBondContact O-N 3.14Å; S169-L209 VanDerWaalsContact O-CD1 3.24Å; S169-L209 WeakPolarHBondContact O-CD1 3.21Å
170	E	91.7	Very high	93.4	Very high	52 Å²	52	47 Å²	47	24%	0.243	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-59.4	-15.6	172.4	-65	-171.4	179.8	0	0	113.1	L172 L173 R178 L206 L209	E170-L172 PolarHBondContact O-N 2.7Å; E170-L172 VanDerWaalsContact O-N 3.1Å; E170-L173 VanDerWaalsContact O-CB 3.32Å; E170-L173 WeakPolarHBondContact O-CB 3.38Å; E170-L173 PolarHBondContact O-N 3.1Å; E170-R178 HydrophobicContact CB-CG 4.45Å; E170-R178 PolarHBondContact O-NE 3.26Å; E170-R178 PolarHBondContact O-NH2 3.1Å; E170-L206 HydrophobicContact CG-CD1 3.71Å; E170-L206 WeakPolarHBondContact OE1-CD1 3.49Å; E170-L209 HydrophobicContact CG-CD2 4.5Å
171	E	90	Very high	93	Very high	105 Å²	105	47.3 Å²	47.3	49%	0.491	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-55.9	-28.5	177.3	-65.8	-171.3	152.2	0	0	112.9	S105 S169 L173 R178	S105-E171 WeakPolarHBondContact CB-OE2 3.26Å; S169-E171 PolarHBondContact O-N 3.18Å; S169-E171 VanDerWaalsContact OG-CB 3.23Å; S169-E171 WeakPolarHBondContact OG-CB 3.09Å; S169-E171 WeakPolarHBondContact OG-CG 3.36Å; S169-E171 PolarHBondContact OG-N 3.13Å; S169-E171 VanDerWaalsContact OG-N 3.09Å; E171-L173 VanDerWaalsContact C-N 3.29Å; E171-L173 PolarHBondContact O-N 2.8Å; E171-R178 VanDerWaalsContact C-NH2 3.29Å; E171-R178 PolarHBondContact O-NH2 3Å
172	L	90.4	Very high	92.7	Very high	25 Å²	25	51.2 Å²	51.2	13%	0.131	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-63.2	-38.7	174.3	-58.7	168.4	0	0	0	110.7	H107 S169 E170 L209 R212	H107-L172 WeakPolarHBondContact CE1-CD1 3.4Å; S169-L172 WeakPolarHBondContact O-CG 3.45Å; S169-L172 PolarHBondContact O-N 3.14Å; E170-L172 PolarHBondContact O-N 2.7Å; E170-L172 VanDerWaalsContact O-N 3.1Å; L172-L209 HydrophobicContact CD1-CD1 4.01Å; L172-R212 VanDerWaalsContact C-NH1 3.32Å; L172-R212 HydrophobicContact CD1-CB 4.43Å; L172-R212 PolarHBondContact O-NH1 2.87Å; L172-R212 PolarHBondContact O-NH2 2.91Å
173	L	91.2	Very high	92.4	Very high	5 Å²	5	54 Å²	54	3%	0.026	26%	0.26	C	S	.	.	S	Bend	trans	-71.2	152	-173.2	-56.9	-173.4	0	0	0	113.3	E170 E171 D177 R178 L206 A208 L209	E170-L173 VanDerWaalsContact O-CB 3.32Å; E170-L173 WeakPolarHBondContact O-CB 3.38Å; E170-L173 PolarHBondContact O-N 3.1Å; E171-L173 VanDerWaalsContact C-N 3.29Å; E171-L173 PolarHBondContact O-N 2.8Å; L173-D177 HydrophobicContact CB-CB 4.17Å; L173-D177 HydrophobicContact CD1-CB 4.45Å; L173-R178 HydrophobicContact CB-CG 3.99Å; L173-R178 HydrophobicContact CD1-CG 4.46Å; L173-R178 PolarHBondContact O-NE 3.46Å; L173-R178 PolarHBondContact O-NH2 3.47Å; L173-L206 HydrophobicContact CD1-CD1 4.08Å; L173-L206 HydrophobicContact CD1-CD2 3.86Å; L173-L206 HydrophobicContact CD1-CG 4.46Å; L173-A208 HydrophobicContact CD2-CB 3.69Å; L173-L209 HydrophobicContact CD1-CB 4.17Å; L173-L209 HydrophobicContact CD2-CB 4.25Å; L173-L209 HydrophobicContact CG-CB 4.43Å
174	S	90.6	Very high	92	Very high	50 Å²	50	59.5 Å²	59.5	35%	0.35	28%	0.281	S	S	.	.			trans	-65.4	156.5	170.3	76.5	0	0	0	0	110.7	T176 D177 R178	S174-T176 PolarHBondContact O-N 3.01Å; S174-T176 PolarHBondContact OG-N 3.37Å; S174-D177 WeakPolarHBondContact CB-OD2 3.37Å; S174-D177 PolarHBondContact N-OD2 3.3Å; S174-D177 PolarHBondContact O-N 2.76Å; S174-D177 PolarHBondContact OG-N 3.4Å; S174-D177 VanDerWaalsContact OG-N 3.11Å; S174-D177 PolarHBondContact OG-OD2 2.9Å; S174-R178 PolarHBondContact O-N 3.29Å
175	R	89.7	Confident	91.5	Very high	226 Å²	226	60.9 Å²	60.9	85%	0.853	29%	0.289	S	S	*	.	H	α-helix	trans	-57.3	-33.3	173.8	-71.5	-176.1	179.2	-179	0	112	K179	R175-K179 WeakPolarHBondContact O-CB 3.45Å; R175-K179 PolarHBondContact O-N 3.36Å
176	T	91.5	Very high	91.1	Very high	92 Å²	92	69.3 Å²	69.3	56%	0.564	32%	0.321	S	S	*	.	H	α-helix	trans	-66.5	-47.6	178.5	-52.6	0	0	0	0	111.5	S174 R178 K179 N180	S174-T176 PolarHBondContact O-N 3.01Å; S174-T176 PolarHBondContact OG-N 3.37Å; T176-R178 VanDerWaalsContact C-N 3.32Å; T176-R178 PolarHBondContact O-N 3.02Å; T176-K179 PolarHBondContact O-N 2.95Å; T176-N180 WeakPolarHBondContact O-CB 3.43Å; T176-N180 VanDerWaalsContact O-CG 3.25Å; T176-N180 PolarHBondContact O-N 3.38Å
177	D	89.4	Confident	90.7	Very high	53 Å²	53	75.6 Å²	75.6	28%	0.283	35%	0.348	S	S	.	.	H	α-helix	trans	-60.2	-43.7	178.9	-61.3	-39.8	0	0	0	111.3	L173 S174 N180 H181	L173-D177 HydrophobicContact CB-CB 4.17Å; L173-D177 HydrophobicContact CD1-CB 4.45Å; S174-D177 WeakPolarHBondContact CB-OD2 3.37Å; S174-D177 PolarHBondContact N-OD2 3.3Å; S174-D177 PolarHBondContact O-N 2.76Å; S174-D177 PolarHBondContact OG-N 3.4Å; S174-D177 VanDerWaalsContact OG-N 3.11Å; S174-D177 PolarHBondContact OG-OD2 2.9Å; D177-N180 PolarHBondContact O-N 3.37Å; D177-H181 PolarHBondContact O-N 3.28Å
178	R	89	Confident	90.3	Very high	72 Å²	72	79.1 Å²	79.1	27%	0.272	37%	0.367	S	S	.	.	H	α-helix	trans	-61.8	-45	176.3	-63.7	-174.8	-148.3	169.6	10.1	111.8	E170 E171 L173 S174 T176 N180 H181 Q182	E170-R178 HydrophobicContact CB-CG 4.45Å; E170-R178 PolarHBondContact O-NE 3.26Å; E170-R178 PolarHBondContact O-NH2 3.1Å; E171-R178 VanDerWaalsContact C-NH2 3.29Å; E171-R178 PolarHBondContact O-NH2 3Å; L173-R178 HydrophobicContact CB-CG 3.99Å; L173-R178 HydrophobicContact CD1-CG 4.46Å; L173-R178 PolarHBondContact O-NE 3.46Å; L173-R178 PolarHBondContact O-NH2 3.47Å; S174-R178 PolarHBondContact O-N 3.29Å; T176-R178 VanDerWaalsContact C-N 3.32Å; T176-R178 PolarHBondContact O-N 3.02Å; R178-N180 PolarHBondContact O-N 3.43Å; R178-H181 PolarHBondContact O-N 2.96Å; R178-Q182 VanDerWaalsContact O-CG 3.31Å; R178-Q182 WeakPolarHBondContact O-CG 3.41Å; R178-Q182 PolarHBondContact O-N 3.06Å
179	K	90.6	Very high	89.8	Confident	143 Å²	143	81.4 Å²	81.4	62%	0.622	39%	0.386	S	S	*	.	H	α-helix	trans	-63.9	-41.5	179	-172.2	179.9	179.8	-176.8	0	111.8	R175 T176 Q182 T183	R175-K179 WeakPolarHBondContact O-CB 3.45Å; R175-K179 PolarHBondContact O-N 3.36Å; T176-K179 PolarHBondContact O-N 2.95Å; K179-Q182 PolarHBondContact O-N 3.25Å; K179-T183 WeakPolarHBondContact O-CB 3.1Å; K179-T183 PolarHBondContact O-N 3.21Å; K179-T183 PolarHBondContact O-OG1 2.83Å
180	N	89.7	Confident	89.4	Confident	98 Å²	98	87.4 Å²	87.4	52%	0.524	41%	0.413	S	S	.	.	H	α-helix	trans	-63.4	-43.7	177.4	-71.6	-13.7	0	0	0	111.1	T176 D177 R178 T183 R184	T176-N180 WeakPolarHBondContact O-CB 3.43Å; T176-N180 VanDerWaalsContact O-CG 3.25Å; T176-N180 PolarHBondContact O-N 3.38Å; D177-N180 PolarHBondContact O-N 3.37Å; R178-N180 PolarHBondContact O-N 3.43Å; N180-T183 PolarHBondContact O-N 3.46Å; N180-R184 PolarHBondContact O-N 3.04Å
181	H	88	Confident	89.1	Confident	18 Å²	18	92.7 Å²	92.7	8%	0.083	44%	0.438	C	S	.	.	H	α-helix	trans	-61.1	-51	174.7	-177.3	61.3	0	0	0	112.5	D177 R178 T183 R184 V185 R203 T205 L206	D177-H181 PolarHBondContact O-N 3.28Å; R178-H181 PolarHBondContact O-N 2.96Å; H181-T183 PolarHBondContact O-N 3.41Å; H181-R184 WeakPolarHBondContact O-CB 3.33Å; H181-R184 PolarHBondContact O-N 3.38Å; H181-V185 VanDerWaalsContact CE1-CG2 3.42Å; H181-V185 WeakPolarHBondContact CE1-CG2 3.28Å; H181-V185 WeakPolarHBondContact NE2-CG2 3.36Å; H181-V185 WeakPolarHBondContact O-CG2 3.49Å; H181-V185 PolarHBondContact O-N 3.37Å; H181-R203 PolarHBondContact CE1-O 2.91Å; H181-R203 PolarHBondContact NE2-O 3.4Å; H181-T205 PolarHBondContact CE1-O 2.94Å; H181-T205 VanDerWaalsContact CE1-O 3.31Å; H181-L206 HydrophobicContact CB-CD2 3.32Å; H181-L206 HydrophobicContact CB-CG 4.39Å; H181-L206 WeakPolarHBondContact ND1-CD2 3.36Å
182	Q	88.6	Confident	88.9	Confident	121 Å²	121	89.2 Å²	89.2	57%	0.565	43%	0.427	S	S	*	.	H	α-helix	trans	-56.8	-39.4	177.5	-72.9	173.9	-0.9	0	0	111.8	R178 K179 R186	R178-Q182 VanDerWaalsContact O-CG 3.31Å; R178-Q182 WeakPolarHBondContact O-CG 3.41Å; R178-Q182 PolarHBondContact O-N 3.06Å; K179-Q182 PolarHBondContact O-N 3.25Å; Q182-R186 VanDerWaalsContact O-CB 3.32Å; Q182-R186 WeakPolarHBondContact O-CB 3.29Å; Q182-R186 PolarHBondContact O-N 3.31Å
183	T	90.6	Very high	88.6	Confident	66 Å²	66	91.1 Å²	91.1	41%	0.405	44%	0.441	S	S	.	.	H	α-helix	trans	-64.6	-43.8	176	-55.5	0	0	0	0	111.5	K179 N180 H181 K187	K179-T183 WeakPolarHBondContact O-CB 3.1Å; K179-T183 PolarHBondContact O-N 3.21Å; K179-T183 PolarHBondContact O-OG1 2.83Å; N180-T183 PolarHBondContact O-N 3.46Å; H181-T183 PolarHBondContact O-N 3.41Å; T183-K187 WeakPolarHBondContact O-CG 3.42Å; T183-K187 PolarHBondContact O-N 3.45Å; T183-K187 VanDerWaalsContact O-N 3.11Å
184	R	89.4	Confident	88.2	Confident	117 Å²	117	94.1 Å²	94.1	44%	0.442	46%	0.461	S	S	.	.	H	α-helix	trans	-62.2	-49.5	175.6	175.8	-173.5	168.7	-169	-1.9	111.4	N180 H181 R186 K187 L188	N180-R184 PolarHBondContact O-N 3.04Å; H181-R184 WeakPolarHBondContact O-CB 3.33Å; H181-R184 PolarHBondContact O-N 3.38Å; R184-R186 VanDerWaalsContact C-N 3.31Å; R184-R186 PolarHBondContact O-N 3.22Å; R184-K187 PolarHBondContact O-N 3.2Å; R184-L188 HydrophobicContact CG-CD1 4.04Å; R184-L188 WeakPolarHBondContact O-CG 3.3Å; R184-L188 PolarHBondContact O-N 3.27Å
185	V	88.2	Confident	88.1	Confident	30 Å²	30	91.9 Å²	91.9	18%	0.182	45%	0.445	C	S	.	.	H	α-helix	trans	-60.3	-42.9	179.8	173.1	0	0	0	0	110.5	H181 L188 A189 W202 R203	H181-V185 VanDerWaalsContact CE1-CG2 3.42Å; H181-V185 WeakPolarHBondContact CE1-CG2 3.28Å; H181-V185 WeakPolarHBondContact NE2-CG2 3.36Å; H181-V185 WeakPolarHBondContact O-CG2 3.49Å; H181-V185 PolarHBondContact O-N 3.37Å; V185-L188 PolarHBondContact O-N 3.12Å; V185-A189 WeakPolarHBondContact O-CB 3.45Å; V185-A189 PolarHBondContact O-N 3.4Å; V185-W202 HydrophobicContact CG1-CZ3 4.26Å; V185-R203 HydrophobicContact CG1-CG 4.45Å
186	R	89.5	Confident	87.8	Confident	177 Å²	177	90.6 Å²	90.6	67%	0.668	44%	0.44	S	S	*	.	H	α-helix	trans	-60.4	-47.1	176.7	-176	177.1	173.3	173.2	1.7	112.3	Q182 R184 L188 A189 E190	Q182-R186 VanDerWaalsContact O-CB 3.32Å; Q182-R186 WeakPolarHBondContact O-CB 3.29Å; Q182-R186 PolarHBondContact O-N 3.31Å; R184-R186 VanDerWaalsContact C-N 3.31Å; R184-R186 PolarHBondContact O-N 3.22Å; R186-L188 VanDerWaalsContact C-N 3.32Å; R186-L188 PolarHBondContact O-N 3.22Å; R186-A189 PolarHBondContact O-N 3.11Å; R186-E190 IonicContact NE-OE1 3.94Å; R186-E190 WeakPolarHBondContact O-CG 3.44Å; R186-E190 PolarHBondContact O-N 2.92Å; R186-E190 VanDerWaalsContact O-N 3.11Å
187	K	89.4	Confident	87.5	Confident	133 Å²	133	92.1 Å²	92.1	58%	0.578	44%	0.439	S	S	*	.	H	α-helix	trans	-60.9	-39.6	177.4	-74.2	-179	177.7	-173.3	0	112.7	T183 R184 H191	T183-K187 WeakPolarHBondContact O-CG 3.42Å; T183-K187 PolarHBondContact O-N 3.45Å; T183-K187 VanDerWaalsContact O-N 3.11Å; R184-K187 PolarHBondContact O-N 3.2Å; K187-H191 PolarHBondContact O-ND1 3.34Å
188	L	87.3	Confident	87.5	Confident	74 Å²	74	89.6 Å²	89.6	39%	0.387	43%	0.426	S	S	.	.	H	α-helix	trans	-71.2	-40.6	176.5	-70.4	172.9	0	0	0	111.6	R184 V185 R186 E190 H191 A192 W202	R184-L188 HydrophobicContact CG-CD1 4.04Å; R184-L188 WeakPolarHBondContact O-CG 3.3Å; R184-L188 PolarHBondContact O-N 3.27Å; V185-L188 PolarHBondContact O-N 3.12Å; R186-L188 VanDerWaalsContact C-N 3.32Å; R186-L188 PolarHBondContact O-N 3.22Å; L188-E190 VanDerWaalsContact C-N 3.26Å; L188-E190 PolarHBondContact O-N 3.35Å; L188-H191 PolarHBondContact O-N 3.39Å; L188-A192 WeakPolarHBondContact O-CB 3.4Å; L188-A192 PolarHBondContact O-N 3.18Å; L188-W202 HydrophobicContact CB-CE3 3.86Å; L188-W202 HydrophobicContact CB-CZ3 3.72Å; L188-W202 HydrophobicContact CD1-CE3 4.15Å
189	A	86.2	Confident	87.7	Confident	49 Å²	49	86.4 Å²	86.4	41%	0.405	41%	0.414	S	S	.	.	H	α-helix	trans	-63.8	-28.9	179.5	0	0	0	0	0	113.2	V185 R186 H191 W202	V185-A189 WeakPolarHBondContact O-CB 3.45Å; V185-A189 PolarHBondContact O-N 3.4Å; R186-A189 PolarHBondContact O-N 3.11Å; A189-H191 PolarHBondContact O-N 3.1Å; A189-W202 HydrophobicContact CB-CH2 4.01Å; A189-W202 HydrophobicContact CB-CZ3 4.31Å
190	E	87.6	Confident	87.6	Confident	130 Å²	130	80 Å²	80	61%	0.607	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-25.5	172.7	-75.2	168.9	-173	0	0	112.9	R186 L188	R186-E190 IonicContact NE-OE1 3.94Å; R186-E190 WeakPolarHBondContact O-CG 3.44Å; R186-E190 PolarHBondContact O-N 2.92Å; R186-E190 VanDerWaalsContact O-N 3.11Å; L188-E190 VanDerWaalsContact C-N 3.26Å; L188-E190 PolarHBondContact O-N 3.35Å
191	H	85.4	Confident	87.5	Confident	162 Å²	162	76.9 Å²	76.9	75%	0.75	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.8	-13.9	-177.3	-59.7	85.8	0	0	0	113.4	K187 L188 A189	K187-H191 PolarHBondContact O-ND1 3.34Å; L188-H191 PolarHBondContact O-N 3.39Å; A189-H191 PolarHBondContact O-N 3.1Å
192	A	84.2	Confident	87.4	Confident	32 Å²	32	78.9 Å²	78.9	26%	0.264	38%	0.379	S	S	.	.	S	Bend	trans	-79.7	133.4	-177.6	0	0	0	0	0	110.9	L188 W202	L188-A192 WeakPolarHBondContact O-CB 3.4Å; L188-A192 PolarHBondContact O-N 3.18Å; A192-W202 HydrophobicContact CB-CH2 3.78Å; A192-W202 HydrophobicContact CB-CZ2 3.54Å
193	P	84	Confident	87.3	Confident	66 Å²	66	77.2 Å²	77.2	43%	0.429	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-64.1	151.5	172.7	29.1	-34.4	0	0	0	110.6	A195 T277	P193-A195 PolarHBondContact O-N 3.32Å; P193-T277 HydrophobicContact CB-CG2 3.58Å; P193-T277 HydrophobicContact CG-CG2 3.96Å
194	P	84.5	Confident	87.1	Confident	68 Å²	68	75.6 Å²	75.6	44%	0.442	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-67.9	123.5	179.2	27	-31.6	0	0	0	109.7	G275 D276 T277	P194-G275 WeakPolarHBondContact CG-O 3.45Å; P194-D276 CarbonylContact O-C 3.58Å; P194-D276 WeakPolarHBondContact O-CA 3.49Å; P194-T277 PolarHBondContact O-N 3.44Å; P194-T277 PolarHBondContact O-OG1 3.05Å
195	A	86.6	Confident	87	Confident	3 Å²	3	71.9 Å²	71.9	3%	0.025	34%	0.344	C	S	.	.			trans	-129.3	87.2	173.6	0	0	0	0	0	108.8	P193 A198 D276 S278	P193-A195 PolarHBondContact O-N 3.32Å; A195-A198 HydrophobicContact CB-CB 3.73Å; A195-D276 WeakPolarHBondContact CA-OD1 3.38Å; A195-S278 VanDerWaalsContact C-OG 3.29Å; A195-S278 WeakPolarHBondContact CA-OG 3.39Å
196	R	83.7	Confident	87.1	Confident	198 Å²	198	70.8 Å²	70.8	75%	0.747	34%	0.337	S	S	*	.	S	Bend	trans	-73	-32.4	-167.6	-66.6	179.9	175.3	-175.7	0.2	114.2	D276 S278	R196-D276 WeakPolarHBondContact CB-OD2 3.37Å; R196-D276 WeakPolarHBondContact CG-OD2 3.28Å; R196-D276 PolarHBondContact N-OD1 3.14Å; R196-S278 PolarHBondContact N-OG 3.2Å
197	F	86.8	Confident	87	Confident	124 Å²	124	66 Å²	66	54%	0.544	33%	0.33	S	S	.	.	S	Bend	trans	-114.4	9.1	-174	-57	-72	0	0	0	112.7	S278 P283 S284 L287	F197-S278 PolarHBondContact N-OG 3.47Å; F197-P283 CarbonylContact O-C 3.59Å; F197-P283 VanDerWaalsContact O-CA 3.28Å; F197-P283 WeakPolarHBondContact O-CA 3.41Å; F197-S284 PolarHBondContact O-N 2.57Å; F197-L287 HydrophobicContact CB-CD1 4.1Å; F197-L287 HydrophobicContact CD1-CD1 4.08Å
198	A	89.4	Confident	87.1	Confident	1 Å²	1	61.1 Å²	61.1	1%	0.008	32%	0.315	C	S	.	.	B	Isolated β-bridge	trans	-94.8	167	-177.4	0	0	0	0	0	112.9	H33 A195 H281 A282	H33-A198 PolarHBondContact NE2-O 3.35Å; A195-A198 HydrophobicContact CB-CB 3.73Å; A198-H281 HydrophobicContact CB-CB 3.55Å; A198-A282 CarbonylContact C-O 3.57Å; A198-A282 WeakPolarHBondContact CA-O 3.37Å
199	Q	92.5	Very high	87.5	Confident	4 Å²	4	57.6 Å²	57.6	2%	0.019	30%	0.297	C	S	.	.			trans	-81.3	117.2	164	-72.3	-175	66.1	0	0	110.8	H33 T34 P201 H261 P263 A282 P283	H33-Q199 WeakPolarHBondContact O-CG 3.48Å; T34-Q199 WeakPolarHBondContact OG1-CB 3.4Å; T34-Q199 PolarHBondContact OG1-OE1 3.35Å; Q199-P201 VanDerWaalsContact C-CD 3.43Å; Q199-P201 VanDerWaalsContact O-CD 3.25Å; Q199-P201 WeakPolarHBondContact O-CD 3.28Å; Q199-H261 PolarHBondContact NE2-O 3.07Å; Q199-P263 HydrophobicContact CB-CG 3.92Å; Q199-P263 VanDerWaalsContact OE1-CD 3.31Å; Q199-A282 PolarHBondContact N-O 2.92Å; Q199-P283 WeakPolarHBondContact CG-O 3.36Å; Q199-P283 PolarHBondContact NE2-O 3.07Å
200	D	88.1	Confident	87.9	Confident	10 Å²	10	56 Å²	56	5%	0.053	28%	0.28	C	S	.	.			trans	-113.4	62.7	178.8	-82.5	-40.2	0	0	0	113.2	W202 R203 W204	D200-W202 PolarHBondContact O-N 2.91Å; D200-W202 PolarHBondContact OD1-NE1 3.12Å; D200-R203 HydrophobicContact CB-CG 4.15Å; D200-R203 PolarHBondContact O-N 3.17Å; D200-R203 IonicContact OD2-CZ 3.17Å; D200-R203 IonicContact OD2-NE 2.64Å; D200-R203 PolarHBondContact OD2-NE 2.69Å; D200-R203 IonicContact OD2-NH1 3.03Å; D200-R203 IonicContact OD2-NH2 2.85Å; D200-R203 PolarHBondContact OD2-NH2 3.39Å; D200-W204 HydrophobicContact CB-CH2 3.96Å; D200-W204 HydrophobicContact CB-CZ3 3.5Å; D200-W204 VanDerWaalsContact CB-CZ3 3.5Å; D200-W204 WeakPolarHBondContact O-CZ3 3.28Å
201	P	88.6	Confident	88.2	Confident	32 Å²	32	55.3 Å²	55.3	21%	0.208	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-42.5	-38.6	-171.4	-31.6	34.8	0	0	0	116.3	T34 V35 Q199 R203 W204 T205 P263	T34-P201 WeakPolarHBondContact OG1-CG 3.45Å; V35-P201 WeakPolarHBondContact O-CB 3.38Å; Q199-P201 VanDerWaalsContact C-CD 3.43Å; Q199-P201 VanDerWaalsContact O-CD 3.25Å; Q199-P201 WeakPolarHBondContact O-CD 3.28Å; P201-R203 PolarHBondContact O-N 2.79Å; P201-R203 VanDerWaalsContact O-N 3.13Å; P201-W204 PolarHBondContact O-N 2.84Å; P201-T205 PolarHBondContact O-N 3.36Å; P201-T205 VanDerWaalsContact O-N 3.15Å; P201-T205 PolarHBondContact O-OG1 3.24Å; P201-P263 HydrophobicContact CG-CB 4Å; P201-P263 HydrophobicContact CG-CG 3.56Å
202	W	85.7	Confident	88.6	Confident	60 Å²	60	52.1 Å²	52.1	23%	0.227	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-57.1	-25.4	-178.8	63	-92	0	0	0	114.6	V185 L188 A189 A192 D200	V185-W202 HydrophobicContact CG1-CZ3 4.26Å; L188-W202 HydrophobicContact CB-CE3 3.86Å; L188-W202 HydrophobicContact CB-CZ3 3.72Å; L188-W202 HydrophobicContact CD1-CE3 4.15Å; A189-W202 HydrophobicContact CB-CH2 4.01Å; A189-W202 HydrophobicContact CB-CZ3 4.31Å; A192-W202 HydrophobicContact CB-CH2 3.78Å; A192-W202 HydrophobicContact CB-CZ2 3.54Å; D200-W202 PolarHBondContact O-N 2.91Å; D200-W202 PolarHBondContact OD1-NE1 3.12Å
203	R	85.7	Confident	89.1	Confident	85 Å²	85	50.6 Å²	50.6	32%	0.321	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-72.9	-28.9	176.4	-66.8	-178.5	-176.7	173.5	11.6	112.7	H181 V185 D200 P201	H181-R203 PolarHBondContact CE1-O 2.91Å; H181-R203 PolarHBondContact NE2-O 3.4Å; V185-R203 HydrophobicContact CG1-CG 4.45Å; D200-R203 HydrophobicContact CB-CG 4.15Å; D200-R203 PolarHBondContact O-N 3.17Å; D200-R203 IonicContact OD2-CZ 3.17Å; D200-R203 IonicContact OD2-NE 2.64Å; D200-R203 PolarHBondContact OD2-NE 2.69Å; D200-R203 IonicContact OD2-NH1 3.03Å; D200-R203 IonicContact OD2-NH2 2.85Å; D200-R203 PolarHBondContact OD2-NH2 3.39Å; P201-R203 PolarHBondContact O-N 2.79Å; P201-R203 VanDerWaalsContact O-N 3.13Å
204	W	87	Confident	89.7	Confident	33 Å²	33	48.1 Å²	48.1	13%	0.125	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.1	-2.8	-173.6	-59.2	-85.5	0	0	0	113.3	H33 T34 T56 T57 Y62 D200 P201 L206	H33-W204 AromaticContact CD2-CE2 3.9Å; H33-W204 AromaticContact CD2-CH2 3Å; H33-W204 WeakPolarHBondContact CD2-CH2 3.31Å; H33-W204 AromaticContact CD2-CZ2 3.27Å; H33-W204 WeakPolarHBondContact CD2-CZ2 3.34Å; H33-W204 AromaticContact CD2-CZ3 3.36Å; H33-W204 WeakPolarHBondContact CD2-CZ3 3.47Å; H33-W204 AromaticContact NE2-CH2 2.98Å; H33-W204 WeakPolarHBondContact NE2-CH2 3.25Å; H33-W204 AromaticContact NE2-CZ2 3.58Å; H33-W204 AromaticContact NE2-CZ3 3.59Å; T34-W204 HydrophobicContact CG2-CD2 3.94Å; T34-W204 HydrophobicContact CG2-CE3 3.25Å; T34-W204 HydrophobicContact CG2-CZ3 3.66Å; T56-W204 HydrophobicContact CG2-CB 3.96Å; T57-W204 PolarHBondContact O-NE1 2.91Å; Y62-W204 VanDerWaalsContact CE1-O 3.26Å; Y62-W204 WeakPolarHBondContact CE1-O 3.33Å; Y62-W204 PolarHBondContact OH-O 3.43Å; D200-W204 HydrophobicContact CB-CH2 3.96Å; D200-W204 HydrophobicContact CB-CZ3 3.5Å; D200-W204 VanDerWaalsContact CB-CZ3 3.5Å; D200-W204 WeakPolarHBondContact O-CZ3 3.28Å; P201-W204 PolarHBondContact O-N 2.84Å; W204-L206 PolarHBondContact O-N 2.83Å
205	T	87.6	Confident	90.1	Very high	38 Å²	38	47.2 Å²	47.2	23%	0.233	23%	0.23	C	C	.	.			trans	-72.1	101	179	-46.5	0	0	0	0	112.2	Y62 H181 P201	Y62-T205 WeakPolarHBondContact OH-CA 3.34Å; H181-T205 PolarHBondContact CE1-O 2.94Å; H181-T205 VanDerWaalsContact CE1-O 3.31Å; P201-T205 PolarHBondContact O-N 3.36Å; P201-T205 VanDerWaalsContact O-N 3.15Å; P201-T205 PolarHBondContact O-OG1 3.24Å
206	L	89.8	Confident	90.5	Very high	8 Å²	8	47.4 Å²	47.4	4%	0.042	23%	0.23	C	C	.	.			trans	-117.4	93	178.7	-87.1	168	0	0	0	108.8	Y62 E170 L173 H181 W204 A208 L209 K210	Y62-L206 PolarHBondContact OH-N 3.48Å; E170-L206 HydrophobicContact CG-CD1 3.71Å; E170-L206 WeakPolarHBondContact OE1-CD1 3.49Å; L173-L206 HydrophobicContact CD1-CD1 4.08Å; L173-L206 HydrophobicContact CD1-CD2 3.86Å; L173-L206 HydrophobicContact CD1-CG 4.46Å; H181-L206 HydrophobicContact CB-CD2 3.32Å; H181-L206 HydrophobicContact CB-CG 4.39Å; H181-L206 WeakPolarHBondContact ND1-CD2 3.36Å; W204-L206 PolarHBondContact O-N 2.83Å; L206-A208 PolarHBondContact O-N 3.43Å; L206-L209 HydrophobicContact CB-CB 3.69Å; L206-L209 HydrophobicContact CD1-CB 4.36Å; L206-L209 HydrophobicContact CD1-CD2 4.13Å; L206-L209 PolarHBondContact O-N 3.27Å; L206-K210 PolarHBondContact O-N 3.43Å
207	S	87.9	Confident	91.1	Very high	75 Å²	75	38 Å²	38	52%	0.524	20%	0.195	S	C	.	.	H	α-helix	trans	-55.8	-38.5	-178.3	-52.1	0	0	0	0	112.6	L209 K210 I211	S207-L209 VanDerWaalsContact C-N 3.32Å; S207-L209 PolarHBondContact O-N 2.87Å; S207-K210 WeakPolarHBondContact O-CB 3.3Å; S207-K210 PolarHBondContact O-N 2.91Å; S207-I211 VanDerWaalsContact O-CG1 3.31Å; S207-I211 WeakPolarHBondContact O-CG1 3.49Å; S207-I211 PolarHBondContact O-N 2.66Å
208	A	91.3	Very high	91.4	Very high	31 Å²	31	33.1 Å²	33.1	26%	0.256	18%	0.175	S	C	.	.	H	α-helix	trans	-65.2	-32.5	176.4	0	0	0	0	0	113.2	L173 L206 R212	L173-A208 HydrophobicContact CD2-CB 3.69Å; L206-A208 PolarHBondContact O-N 3.43Å; A208-R212 WeakPolarHBondContact O-CG 3.31Å
209	L	95	Very high	91.5	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-76.4	-40.3	175.9	-175.7	56.7	0	0	0	110.4	Y62 S169 E170 L172 L173 L206 S207 I211 R212 H213	Y62-L209 HydrophobicContact CD1-CD2 3.61Å; Y62-L209 HydrophobicContact CD1-CG 4.26Å; Y62-L209 HydrophobicContact CD2-CD2 4.28Å; Y62-L209 HydrophobicContact CD2-CG 4.02Å; Y62-L209 HydrophobicContact CE1-CD2 3.91Å; Y62-L209 HydrophobicContact CE2-CB 4.34Å; Y62-L209 HydrophobicContact CE2-CG 4.31Å; Y62-L209 HydrophobicContact CG-CD2 3.84Å; Y62-L209 HydrophobicContact CG-CG 4Å; S169-L209 VanDerWaalsContact O-CD1 3.24Å; S169-L209 WeakPolarHBondContact O-CD1 3.21Å; E170-L209 HydrophobicContact CG-CD2 4.5Å; L172-L209 HydrophobicContact CD1-CD1 4.01Å; L173-L209 HydrophobicContact CD1-CB 4.17Å; L173-L209 HydrophobicContact CD2-CB 4.25Å; L173-L209 HydrophobicContact CG-CB 4.43Å; L206-L209 HydrophobicContact CB-CB 3.69Å; L206-L209 HydrophobicContact CD1-CB 4.36Å; L206-L209 HydrophobicContact CD1-CD2 4.13Å; L206-L209 PolarHBondContact O-N 3.27Å; S207-L209 VanDerWaalsContact C-N 3.32Å; S207-L209 PolarHBondContact O-N 2.87Å; L209-I211 PolarHBondContact O-N 3.4Å; L209-R212 PolarHBondContact O-N 3.35Å; L209-H213 WeakPolarHBondContact O-CB 3.32Å; L209-H213 PolarHBondContact O-N 2.9Å
210	K	94.6	Very high	91.5	Very high	15 Å²	15	35.5 Å²	35.5	7%	0.065	19%	0.189	C	C	.	.	H	α-helix	trans	-53.6	-51.6	174	-170.7	178.2	-177.2	-68.8	0	111.1	D39 D42 Y53 I54 Y62 L206 S207 R212 H213 D214	D39-K210 VanDerWaalsContact OD2-CE 3.28Å; D39-K210 WeakPolarHBondContact OD2-CE 3.4Å; D39-K210 IonicContact OD2-NZ 3.67Å; D39-K210 PolarHBondContact OD2-NZ 3.41Å; D39-K210 VanDerWaalsContact OD2-NZ 3.17Å; D42-K210 VanDerWaalsContact CG-NZ 3.3Å; D42-K210 IonicContact OD1-NZ 3.72Å; D42-K210 PolarHBondContact OD1-NZ 3.41Å; D42-K210 VanDerWaalsContact OD2-CE 3.23Å; D42-K210 WeakPolarHBondContact OD2-CE 3.49Å; D42-K210 IonicContact OD2-NZ 3.99Å; D42-K210 PolarHBondContact OD2-NZ 3.49Å; Y53-K210 PolarHBondContact OH-NZ 2.81Å; I54-K210 HydrophobicContact CD1-CG 4.02Å; Y62-K210 HydrophobicContact CE2-CB 3.94Å; L206-K210 PolarHBondContact O-N 3.43Å; S207-K210 WeakPolarHBondContact O-CB 3.3Å; S207-K210 PolarHBondContact O-N 2.91Å; K210-R212 VanDerWaalsContact C-N 3.29Å; K210-R212 PolarHBondContact O-N 2.84Å; K210-H213 WeakPolarHBondContact O-CB 3.48Å; K210-H213 PolarHBondContact O-N 3Å; K210-H213 VanDerWaalsContact O-N 3.08Å; K210-D214 WeakPolarHBondContact CG-OD2 3.28Å; K210-D214 IonicContact NZ-OD2 3.21Å; K210-D214 PolarHBondContact NZ-OD2 3.39Å; K210-D214 PolarHBondContact O-N 2.98Å
211	I	93.5	Very high	91.8	Very high	117 Å²	117	37.8 Å²	37.8	60%	0.6	20%	0.2	S	C	*	.	H	α-helix	trans	-54.8	-45	179.1	-68.4	163.9	0	0	0	111.5	S207 L209 A215	S207-I211 VanDerWaalsContact O-CG1 3.31Å; S207-I211 WeakPolarHBondContact O-CG1 3.49Å; S207-I211 PolarHBondContact O-N 2.66Å; L209-I211 PolarHBondContact O-N 3.4Å; I211-A215 WeakPolarHBondContact O-CB 3.41Å; I211-A215 PolarHBondContact O-N 2.93Å
212	R	94	Very high	91.8	Very high	95 Å²	95	42.3 Å²	42.3	36%	0.358	22%	0.218	S	C	.	.	H	α-helix	trans	-72.3	-34.3	179.7	-64.6	179.3	-171.4	-138.2	16.9	112.8	L172 A208 L209 K210 L216	L172-R212 VanDerWaalsContact C-NH1 3.32Å; L172-R212 HydrophobicContact CD1-CB 4.43Å; L172-R212 PolarHBondContact O-NH1 2.87Å; L172-R212 PolarHBondContact O-NH2 2.91Å; A208-R212 WeakPolarHBondContact O-CG 3.31Å; L209-R212 PolarHBondContact O-N 3.35Å; K210-R212 VanDerWaalsContact C-N 3.29Å; K210-R212 PolarHBondContact O-N 2.84Å; R212-L216 PolarHBondContact O-N 2.84Å
213	H	95.8	Very high	92	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-66.3	-49.2	175.4	-174.8	75.2	0	0	0	110.7	Y62 S64 V166 S168 L209 K210 A215 L216 L217	Y62-H213 HydrophobicContact CD2-CB 4.35Å; S64-H213 WeakPolarHBondContact CB-NE2 3.45Å; S64-H213 PolarHBondContact OG-NE2 3.36Å; V166-H213 PolarHBondContact O-CE1 3.28Å; S168-H213 WeakPolarHBondContact CB-ND1 3.34Å; S168-H213 PolarHBondContact OG-ND1 2.9Å; L209-H213 WeakPolarHBondContact O-CB 3.32Å; L209-H213 PolarHBondContact O-N 2.9Å; K210-H213 WeakPolarHBondContact O-CB 3.48Å; K210-H213 PolarHBondContact O-N 3Å; K210-H213 VanDerWaalsContact O-N 3.08Å; H213-A215 PolarHBondContact O-N 2.76Å; H213-L216 PolarHBondContact O-N 3.09Å; H213-L216 VanDerWaalsContact O-N 3.14Å; H213-L217 WeakPolarHBondContact O-CG 3.28Å; H213-L217 PolarHBondContact O-N 2.92Å
214	D	95.7	Very high	92.3	Very high	14 Å²	14	35.6 Å²	35.6	8%	0.075	19%	0.193	C	C	.	.	H	α-helix	trans	-60.9	-43.2	177	-70.8	-29.4	0	0	0	111.5	R46 Y53 K210 L216 L217 D218	R46-D214 IonicContact NH1-OD1 2.7Å; Y53-D214 VanDerWaalsContact OH-CG 3.24Å; Y53-D214 PolarHBondContact OH-OD1 3.02Å; Y53-D214 PolarHBondContact OH-OD2 3.22Å; K210-D214 WeakPolarHBondContact CG-OD2 3.28Å; K210-D214 IonicContact NZ-OD2 3.21Å; K210-D214 PolarHBondContact NZ-OD2 3.39Å; K210-D214 PolarHBondContact O-N 2.98Å; D214-L216 VanDerWaalsContact C-N 3.27Å; D214-L216 PolarHBondContact O-N 2.9Å; D214-L217 WeakPolarHBondContact O-CB 3.29Å; D214-L217 PolarHBondContact O-N 3Å; D214-L217 VanDerWaalsContact O-N 3.08Å; D214-D218 PolarHBondContact O-N 3.36Å
215	A	93.8	Very high	92.4	Very high	48 Å²	48	36.6 Å²	36.6	40%	0.397	20%	0.203	S	C	.	.	H	α-helix	trans	-57.9	-38	175.5	0	0	0	0	0	112.9	I211 H213 T219	I211-A215 WeakPolarHBondContact O-CB 3.41Å; I211-A215 PolarHBondContact O-N 2.93Å; H213-A215 PolarHBondContact O-N 2.76Å; A215-T219 WeakPolarHBondContact O-CB 3.34Å; A215-T219 PolarHBondContact O-N 3.45Å; A215-T219 VanDerWaalsContact O-N 3.11Å; A215-T219 PolarHBondContact O-OG1 3.19Å
216	L	94.1	Very high	92	Very high	7 Å²	7	36.4 Å²	36.4	4%	0.037	20%	0.199	C	C	.	.	H	α-helix	trans	-70.4	-41.6	174.4	177.2	62.2	0	0	0	111.7	A101 W102 H107 V166 R212 H213 D214 D218 T219 L220	A101-L216 HydrophobicContact CB-CD1 4.49Å; W102-L216 HydrophobicContact CH2-CD1 4.22Å; W102-L216 HydrophobicContact CZ3-CD1 3.89Å; H107-L216 HydrophobicContact CB-CD2 3.98Å; H107-L216 VanDerWaalsContact ND1-CD2 3.26Å; H107-L216 WeakPolarHBondContact ND1-CD2 3.41Å; V166-L216 HydrophobicContact CG1-CD2 3.54Å; V166-L216 HydrophobicContact CG1-CG 4.05Å; R212-L216 PolarHBondContact O-N 2.84Å; H213-L216 PolarHBondContact O-N 3.09Å; H213-L216 VanDerWaalsContact O-N 3.14Å; D214-L216 VanDerWaalsContact C-N 3.27Å; D214-L216 PolarHBondContact O-N 2.9Å; L216-D218 VanDerWaalsContact C-N 3.28Å; L216-D218 PolarHBondContact O-N 2.78Å; L216-T219 PolarHBondContact O-N 3.07Å; L216-L220 HydrophobicContact CD1-CD1 4.02Å; L216-L220 HydrophobicContact CD1-CG 3.96Å; L216-L220 HydrophobicContact CD2-CD1 4.44Å; L216-L220 HydrophobicContact CG-CD1 3.9Å; L216-L220 HydrophobicContact CG-CG 4.29Å; L216-L220 WeakPolarHBondContact O-CB 3.46Å; L216-L220 WeakPolarHBondContact O-CG 3.29Å; L216-L220 PolarHBondContact O-N 3.4Å
217	L	95.4	Very high	91.3	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-56.3	-46.1	176.1	-67.8	179.9	0	0	0	110.9	Y53 F66 V166 H213 D214 T219 L220 E221	Y53-L217 HydrophobicContact CD2-CD1 4.29Å; Y53-L217 HydrophobicContact CE2-CD1 3.83Å; F66-L217 HydrophobicContact CD2-CD2 4.48Å; F66-L217 HydrophobicContact CE2-CB 4.41Å; F66-L217 HydrophobicContact CE2-CD2 3.56Å; F66-L217 HydrophobicContact CZ-CB 4.11Å; F66-L217 HydrophobicContact CZ-CD2 3.96Å; V166-L217 HydrophobicContact CB-CD2 3.83Å; V166-L217 HydrophobicContact CG1-CD2 4.03Å; V166-L217 HydrophobicContact CG2-CD2 3.85Å; H213-L217 WeakPolarHBondContact O-CG 3.28Å; H213-L217 PolarHBondContact O-N 2.92Å; D214-L217 WeakPolarHBondContact O-CB 3.29Å; D214-L217 PolarHBondContact O-N 3Å; D214-L217 VanDerWaalsContact O-N 3.08Å; L217-T219 VanDerWaalsContact C-N 3.35Å; L217-T219 PolarHBondContact O-N 3.25Å; L217-L220 PolarHBondContact O-N 2.8Å; L217-E221 VanDerWaalsContact O-CB 3.25Å; L217-E221 WeakPolarHBondContact O-CB 3.47Å; L217-E221 PolarHBondContact O-N 3.24Å
218	D	93.3	Very high	90.5	Very high	22 Å²	22	41.7 Å²	41.7	12%	0.118	23%	0.226	C	C	.	.	H	α-helix	trans	-65.2	-41.1	179.5	-52.3	-38	0	0	0	112	R45 R46 D214 L216 L220 E221 Q222	R45-D218 IonicContact CZ-OD1 3.16Å; R45-D218 IonicContact CZ-OD2 2.7Å; R45-D218 IonicContact NE-OD1 2.71Å; R45-D218 VanDerWaalsContact NH1-CG 3.3Å; R45-D218 IonicContact NH1-OD1 3.96Å; R45-D218 PolarHBondContact NH1-OD1 3.07Å; R45-D218 VanDerWaalsContact NH1-OD1 3.16Å; R45-D218 IonicContact NH1-OD2 2.92Å; R45-D218 PolarHBondContact NH1-OD2 3.37Å; R45-D218 IonicContact NH2-OD1 3.57Å; R45-D218 PolarHBondContact NH2-OD1 3.05Å; R45-D218 IonicContact NH2-OD2 3.04Å; R45-D218 PolarHBondContact NH2-OD2 3.22Å; R46-D218 IonicContact NH2-OD1 3.75Å; D214-D218 PolarHBondContact O-N 3.36Å; L216-D218 VanDerWaalsContact C-N 3.28Å; L216-D218 PolarHBondContact O-N 2.78Å; D218-L220 VanDerWaalsContact C-N 3.35Å; D218-E221 PolarHBondContact O-N 2.71Å; D218-Q222 WeakPolarHBondContact O-CB 3.29Å; D218-Q222 VanDerWaalsContact O-CG 3.27Å; D218-Q222 WeakPolarHBondContact O-CG 3.34Å; D218-Q222 PolarHBondContact O-N 2.98Å
219	T	92.6	Very high	89.9	Confident	52 Å²	52	41.6 Å²	41.6	32%	0.319	22%	0.221	S	C	.	.	H	α-helix	trans	-60.8	-47.3	177.3	-57.4	0	0	0	0	110.5	A215 L216 L217 A223	A215-T219 WeakPolarHBondContact O-CB 3.34Å; A215-T219 PolarHBondContact O-N 3.45Å; A215-T219 VanDerWaalsContact O-N 3.11Å; A215-T219 PolarHBondContact O-OG1 3.19Å; L216-T219 PolarHBondContact O-N 3.07Å; L217-T219 VanDerWaalsContact C-N 3.35Å; L217-T219 PolarHBondContact O-N 3.25Å; T219-A223 WeakPolarHBondContact O-CB 3.32Å; T219-A223 PolarHBondContact O-N 3.01Å
220	L	93.2	Very high	89.6	Confident	3 Å²	3	41.6 Å²	41.6	2%	0.016	22%	0.221	C	C	.	.	H	α-helix	trans	-66.5	-42	177.9	-70.8	171.8	0	0	0	111.5	M98 W102 I109 V166 L216 L217 D218 A223 L224	M98-L220 HydrophobicContact CE-CD2 4.2Å; M98-L220 HydrophobicContact CG-CD2 4.28Å; M98-L220 HydrophobicContact SD-CD2 4.11Å; W102-L220 HydrophobicContact CH2-CD2 4.31Å; I109-L220 HydrophobicContact CG2-CD1 4.04Å; V166-L220 HydrophobicContact CB-CD1 4.49Å; V166-L220 HydrophobicContact CG1-CD1 4.09Å; V166-L220 HydrophobicContact CG2-CD1 3.55Å; L216-L220 HydrophobicContact CD1-CD1 4.02Å; L216-L220 HydrophobicContact CD1-CG 3.96Å; L216-L220 HydrophobicContact CD2-CD1 4.44Å; L216-L220 HydrophobicContact CG-CD1 3.9Å; L216-L220 HydrophobicContact CG-CG 4.29Å; L216-L220 WeakPolarHBondContact O-CB 3.46Å; L216-L220 WeakPolarHBondContact O-CG 3.29Å; L216-L220 PolarHBondContact O-N 3.4Å; L217-L220 PolarHBondContact O-N 2.8Å; D218-L220 VanDerWaalsContact C-N 3.35Å; L220-A223 PolarHBondContact O-N 3.43Å; L220-L224 HydrophobicContact CB-CD1 4.43Å; L220-L224 VanDerWaalsContact O-CB 3.3Å; L220-L224 WeakPolarHBondContact O-CB 3.48Å; L220-L224 WeakPolarHBondContact O-CD1 3.34Å; L220-L224 VanDerWaalsContact O-CG 3.26Å; L220-L224 WeakPolarHBondContact O-CG 3.42Å; L220-L224 PolarHBondContact O-N 3.14Å
221	E	92.7	Very high	89.5	Confident	58 Å²	58	41 Å²	41	27%	0.271	22%	0.218	S	C	.	.	H	α-helix	trans	-60.7	-48.9	179.5	-176.6	172.7	-170	0	0	111	F66 L217 D218 A223 T225 I233	F66-E221 HydrophobicContact CE1-CB 4.41Å; F66-E221 HydrophobicContact CZ-CB 4.19Å; L217-E221 VanDerWaalsContact O-CB 3.25Å; L217-E221 WeakPolarHBondContact O-CB 3.47Å; L217-E221 PolarHBondContact O-N 3.24Å; D218-E221 PolarHBondContact O-N 2.71Å; E221-A223 PolarHBondContact O-N 3.42Å; E221-T225 WeakPolarHBondContact O-CB 3.48Å; E221-T225 PolarHBondContact O-N 2.96Å; E221-T225 VanDerWaalsContact O-N 3.09Å; E221-T225 PolarHBondContact O-OG1 3.33Å; E221-I233 HydrophobicContact CB-CD1 4.06Å; E221-I233 HydrophobicContact CG-CD1 3.8Å
222	Q	90.3	Very high	89.5	Confident	127 Å²	127	36.5 Å²	36.5	59%	0.593	20%	0.195	S	C	*	.	H	α-helix	trans	-65.5	-37.6	176.5	-68.9	175.5	4.2	0	0	112.6	R97 D218 H226	R97-Q222 VanDerWaalsContact NH1-C 3.31Å; R97-Q222 PolarHBondContact NH1-O 3.41Å; D218-Q222 WeakPolarHBondContact O-CB 3.29Å; D218-Q222 VanDerWaalsContact O-CG 3.27Å; D218-Q222 WeakPolarHBondContact O-CG 3.34Å; D218-Q222 PolarHBondContact O-N 2.98Å; Q222-H226 PolarHBondContact O-N 3.01Å
223	A	89.8	Confident	89.5	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-73.3	-39	-177.7	0	0	0	0	0	112.7	L94 R97 T219 L220 E221	L94-A223 HydrophobicContact CD2-CB 3.64Å; R97-A223 HydrophobicContact CB-CB 4.19Å; R97-A223 VanDerWaalsContact CD-CB 3.46Å; R97-A223 HydrophobicContact CG-CB 4.46Å; T219-A223 WeakPolarHBondContact O-CB 3.32Å; T219-A223 PolarHBondContact O-N 3.01Å; L220-A223 PolarHBondContact O-N 3.43Å; E221-A223 PolarHBondContact O-N 3.42Å
224	L	92.2	Very high	89.4	Confident	4 Å²	4	37.8 Å²	37.8	2%	0.021	20%	0.202	C	C	.	.	H	α-helix	trans	-77.4	-33	-179.7	-69.3	165.4	0	0	0	112.2	L94 L164 L220 H226 G230 L231 I233 L461	L94-L224 HydrophobicContact CD1-CD2 4.04Å; L94-L224 HydrophobicContact CD2-CD2 3.63Å; L94-L224 HydrophobicContact CD2-CG 3.96Å; L164-L224 HydrophobicContact CD2-CD1 3.42Å; L164-L224 VanDerWaalsContact CD2-CD1 3.42Å; L220-L224 HydrophobicContact CB-CD1 4.43Å; L220-L224 VanDerWaalsContact O-CB 3.3Å; L220-L224 WeakPolarHBondContact O-CB 3.48Å; L220-L224 WeakPolarHBondContact O-CD1 3.34Å; L220-L224 VanDerWaalsContact O-CG 3.26Å; L220-L224 WeakPolarHBondContact O-CG 3.42Å; L220-L224 PolarHBondContact O-N 3.14Å; L224-H226 VanDerWaalsContact C-N 3.32Å; L224-G230 WeakPolarHBondContact O-CA 3.44Å; L224-L231 HydrophobicContact CB-CD1 4.34Å; L224-L231 HydrophobicContact CD2-CD1 3.84Å; L224-L231 WeakPolarHBondContact O-CB 3.32Å; L224-L231 PolarHBondContact O-N 3.41Å; L224-I233 HydrophobicContact CB-CD1 4.09Å; L224-I233 HydrophobicContact CB-CG2 4.46Å; L224-I233 HydrophobicContact CD1-CD1 4.49Å; L224-L461 HydrophobicContact CD2-CD2 4.18Å
225	T	88.6	Confident	89.4	Confident	54 Å²	54	37.3 Å²	37.3	33%	0.331	20%	0.2	S	C	.	.	H	α-helix	trans	-70.3	-30.6	178.6	-49.3	0	0	0	0	111.9	E221 D227 G230	E221-T225 WeakPolarHBondContact O-CB 3.48Å; E221-T225 PolarHBondContact O-N 2.96Å; E221-T225 VanDerWaalsContact O-N 3.09Å; E221-T225 PolarHBondContact O-OG1 3.33Å; T225-D227 PolarHBondContact O-N 3.37Å; T225-G230 WeakPolarHBondContact O-CA 3.48Å; T225-G230 PolarHBondContact O-N 3.13Å
226	H	79.4	Confident	89.6	Confident	35 Å²	35	35.2 Å²	35.2	16%	0.162	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	38.1	58.5	167.9	-159.8	-74.6	0	0	0	115.1	L90 A93 Q222 L224 S228 D229 G230	L90-H226 HydrophobicContact CD1-CB 3.52Å; A93-H226 WeakPolarHBondContact CB-CD2 3.22Å; A93-H226 WeakPolarHBondContact CB-NE2 3.42Å; Q222-H226 PolarHBondContact O-N 3.01Å; L224-H226 VanDerWaalsContact C-N 3.32Å; H226-S228 PolarHBondContact O-N 3.26Å; H226-D229 PolarHBondContact O-N 3.46Å; H226-G230 PolarHBondContact O-N 2.82Å
227	D	74.2	Confident	89.7	Confident	141 Å²	141	35.9 Å²	35.9	75%	0.754	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.7	-119.1	-178.1	-61.2	-33.5	0	0	0	113.2	T225	T225-D227 PolarHBondContact O-N 3.37Å
228	S	71.9	Confident	89.8	Confident	53 Å²	53	36.1 Å²	36.1	37%	0.371	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-2.8	-173.6	60.4	0	0	0	0	115.4	H226	H226-S228 PolarHBondContact O-N 3.26Å
229	D	77.3	Confident	90	Very high	28 Å²	28	36 Å²	36	15%	0.15	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.1	2.4	-171.2	-61.5	-37.3	0	0	0	113.8	K73 H226	K73-D229 IonicContact NZ-OD1 3.36Å; K73-D229 PolarHBondContact NZ-OD1 3.02Å; H226-D229 PolarHBondContact O-N 3.46Å
230	G	89	Confident	90.1	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.18	C	C	.	.	S	Bend	trans	-89.5	-153.8	-179	0	0	0	0	0	115.5	L72 L224 T225 H226	L72-G230 PolarHBondContact N-O 3.46Å; L72-G230 VanDerWaalsContact N-O 3.12Å; L224-G230 WeakPolarHBondContact O-CA 3.44Å; T225-G230 WeakPolarHBondContact O-CA 3.48Å; T225-G230 PolarHBondContact O-N 3.13Å; H226-G230 PolarHBondContact O-N 2.82Å
231	L	93.7	Very high	90.3	Very high	3 Å²	3	35.5 Å²	35.5	2%	0.016	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	144.3	-170.8	-61.5	-176.4	0	0	0	112.7	I68 A71 L224 I233 L461	I68-L231 HydrophobicContact CD1-CD1 4.5Å; I68-L231 HydrophobicContact CG2-CB 4.49Å; I68-L231 HydrophobicContact CG2-CD1 4.1Å; A71-L231 HydrophobicContact CB-CD2 3.85Å; L224-L231 HydrophobicContact CB-CD1 4.34Å; L224-L231 HydrophobicContact CD2-CD1 3.84Å; L224-L231 WeakPolarHBondContact O-CB 3.32Å; L224-L231 PolarHBondContact O-N 3.41Å; L231-I233 HydrophobicContact CB-CG2 3.78Å; L231-I233 PolarHBondContact O-N 3.4Å; L231-L461 HydrophobicContact CD1-CD2 3.9Å; L231-L461 WeakPolarHBondContact CD2-O 3.42Å
232	L	93.2	Very high	90.5	Very high	22 Å²	22	32.9 Å²	32.9	12%	0.115	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	106	165.2	-63.8	175	0	0	0	109	S69 G70 L72 V467 L931	S69-L232 PolarHBondContact N-O 2.69Å; G70-L232 WeakPolarHBondContact O-CB 3.34Å; G70-L232 PolarHBondContact O-N 2.83Å; L72-L232 HydrophobicContact CD2-CD1 4.27Å; L72-L232 HydrophobicContact CD2-CD2 3.61Å; L72-L232 HydrophobicContact CD2-CG 4Å; L72-L232 HydrophobicContact CG-CD2 4.17Å; L72-L232 HydrophobicContact CG-CG 4.32Å; L232-V467 HydrophobicContact CD1-CB 4.41Å; L232-V467 HydrophobicContact CD1-CG1 3.55Å; L232-V467 HydrophobicContact CD2-CG1 3.52Å; L232-V467 HydrophobicContact CG-CG1 4.18Å; L232-L931 HydrophobicContact CD1-CD2 4.45Å
233	I	93.9	Very high	90.7	Very high	30 Å²	30	29.4 Å²	29.4	15%	0.154	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	149.8	-178.8	65.2	175.5	0	0	0	111.2	E67 I68 E221 L224 L231	E67-I233 CarbonylContact O-C 3.55Å; E67-I233 VanDerWaalsContact O-CA 3.31Å; E67-I233 WeakPolarHBondContact O-CA 3.47Å; I68-I233 HydrophobicContact CB-CG2 4.46Å; I68-I233 HydrophobicContact CD1-CG2 4.48Å; I68-I233 HydrophobicContact CG1-CG2 3.86Å; I68-I233 HydrophobicContact CG2-CG2 4.35Å; E221-I233 HydrophobicContact CB-CD1 4.06Å; E221-I233 HydrophobicContact CG-CD1 3.8Å; L224-I233 HydrophobicContact CB-CD1 4.09Å; L224-I233 HydrophobicContact CB-CG2 4.46Å; L224-I233 HydrophobicContact CD1-CD1 4.49Å; L231-I233 HydrophobicContact CB-CG2 3.78Å; L231-I233 PolarHBondContact O-N 3.4Å
234	R	93	Very high	91	Very high	92 Å²	92	30.4 Å²	30.4	35%	0.347	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	129.4	177.3	-177.1	-176.1	67.3	90.9	-10.7	109.8	F66 E67 M236 E240	F66-R234 CarbonylContact C-O 3.57Å; F66-R234 VanDerWaalsContact CA-O 3.31Å; F66-R234 WeakPolarHBondContact CA-O 3.35Å; E67-R234 PolarHBondContact N-O 2.85Å; E67-R234 PolarHBondContact O-N 2.97Å; E67-R234 IonicContact OE2-CZ 3.64Å; E67-R234 IonicContact OE2-NE 3.36Å; E67-R234 PolarHBondContact OE2-NE 2.81Å; E67-R234 IonicContact OE2-NH2 2.75Å; E67-R234 PolarHBondContact OE2-NH2 3.29Å; R234-M236 PolarHBondContact O-N 3.48Å; R234-E240 IonicContact CZ-OE1 3.22Å; R234-E240 IonicContact CZ-OE2 3.44Å; R234-E240 IonicContact NH1-OE1 2.84Å; R234-E240 PolarHBondContact NH1-OE1 3.21Å; R234-E240 VanDerWaalsContact NH1-OE1 3.12Å; R234-E240 IonicContact NH1-OE2 3.27Å; R234-E240 PolarHBondContact NH1-OE2 2.72Å; R234-E240 IonicContact NH2-OE1 2.62Å; R234-E240 PolarHBondContact NH2-OE1 2.98Å; R234-E240 IonicContact NH2-OE2 3.17Å
235	L	97	Very high	91.2	Very high	4 Å²	4	30.2 Å²	30.2	2%	0.021	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	127.5	172.5	-173.6	68.2	0	0	0	110.1	R46 L49 Y53 F66	R46-L235 VanDerWaalsContact CZ-CD2 3.47Å; L49-L235 HydrophobicContact CD1-CD2 4.17Å; Y53-L235 HydrophobicContact CD2-CD1 4.44Å; Y53-L235 HydrophobicContact CD2-CD2 3.74Å; Y53-L235 HydrophobicContact CD2-CG 4.47Å; Y53-L235 HydrophobicContact CE2-CD2 4.38Å; Y53-L235 HydrophobicContact CG-CD2 3.89Å; F66-L235 HydrophobicContact CD1-CB 4.02Å; F66-L235 HydrophobicContact CD1-CD1 4.09Å; F66-L235 HydrophobicContact CE1-CB 3.91Å; F66-L235 HydrophobicContact CE1-CD1 3.92Å; F66-L235 HydrophobicContact CE1-CG 4.48Å; F66-L235 HydrophobicContact CZ-CD1 4.25Å
236	M	97.2	Very high	91.5	Very high	4 Å²	4	29.8 Å²	29.8	2%	0.02	15%	0.145	C	C	.	.	P	Polyproline II helix	trans	-89.3	148.5	179.1	-60.5	176.3	70.8	0	0	111	V65 E67 W163 R234 E240 V241 E244	V65-M236 HydrophobicContact CB-SD 4.36Å; V65-M236 HydrophobicContact CG1-SD 3.71Å; V65-M236 WeakPolarHBondContact O-CB 3.36Å; V65-M236 PolarHBondContact O-N 3.27Å; E67-M236 HydrophobicContact CB-CG 3.86Å; E67-M236 HydrophobicContact CB-SD 3.86Å; W163-M236 VanDerWaalsContact CD1-SD 3.55Å; R234-M236 PolarHBondContact O-N 3.48Å; M236-E240 HydrophobicContact CB-CB 4.39Å; M236-E240 HydrophobicContact CE-CB 3.62Å; M236-V241 HydrophobicContact CB-CG2 3.77Å; M236-V241 HydrophobicContact CE-CG2 4.27Å; M236-V241 HydrophobicContact SD-CG2 4.31Å; M236-E244 HydrophobicContact CE-CG 4.08Å
237	D	96.7	Very high	92.1	Very high	22 Å²	22	31.2 Å²	31.2	12%	0.118	15%	0.149	C	C	.	.	P	Polyproline II helix	trans	-81.8	163.3	164.7	68.2	46.8	0	0	0	111.5	A51 H239 E240 V241	A51-D237 HydrophobicContact CB-CB 4.05Å; D237-H239 PolarHBondContact O-N 3.41Å; D237-H239 WeakPolarHBondContact OD1-CA 3.48Å; D237-H239 VanDerWaalsContact OD1-CB 3.27Å; D237-H239 WeakPolarHBondContact OD1-CB 3.15Å; D237-H239 PolarHBondContact OD1-N 2.91Å; D237-E240 PolarHBondContact N-OE2 2.97Å; D237-E240 PolarHBondContact O-N 3.45Å; D237-E240 WeakPolarHBondContact OD1-CG 3.48Å; D237-E240 PolarHBondContact OD1-N 2.99Å; D237-V241 WeakPolarHBondContact O-CG2 3.35Å; D237-V241 PolarHBondContact O-N 3.5Å
238	I	97.1	Very high	93.1	Very high	4 Å²	4	24.9 Å²	24.9	2%	0.021	12%	0.115	C	C	.	.	H	α-helix	trans	-70.5	-19.6	-176.6	-60.3	-51.8	0	0	0	112.5	V35 P52 Y53 A55 V241 G242 L262 L285	V35-I238 HydrophobicContact CG1-CB 3.98Å; V35-I238 HydrophobicContact CG1-CG1 3.9Å; V35-I238 HydrophobicContact CG1-CG2 3.69Å; P52-I238 WeakPolarHBondContact O-CG1 3.27Å; P52-I238 PolarHBondContact O-N 2.98Å; Y53-I238 WeakPolarHBondContact O-CD1 3.27Å; A55-I238 HydrophobicContact CB-CD1 3.71Å; A55-I238 HydrophobicContact CB-CG1 4.14Å; A55-I238 HydrophobicContact CB-CG2 4.44Å; I238-V241 HydrophobicContact CD1-CB 4.44Å; I238-V241 HydrophobicContact CD1-CG2 4.39Å; I238-G242 PolarHBondContact O-N 3.32Å; I238-L262 HydrophobicContact CB-CD1 4.43Å; I238-L262 HydrophobicContact CB-CD2 4.36Å; I238-L262 HydrophobicContact CG2-CD2 3.91Å; I238-L285 HydrophobicContact CG2-CD1 4.24Å
239	H	96.5	Very high	94.1	Very high	20 Å²	20	22.7 Å²	22.7	9%	0.093	10%	0.099	C	C	.	.	H	α-helix	trans	-65	-47.9	171.2	-68.9	142.6	0	0	0	110.6	A51 D237 R243 Q259 P260 L262 D265	A51-H239 WeakPolarHBondContact CB-ND1 3.24Å; D237-H239 PolarHBondContact O-N 3.41Å; D237-H239 WeakPolarHBondContact OD1-CA 3.48Å; D237-H239 VanDerWaalsContact OD1-CB 3.27Å; D237-H239 WeakPolarHBondContact OD1-CB 3.15Å; D237-H239 PolarHBondContact OD1-N 2.91Å; H239-R243 WeakPolarHBondContact O-CB 3.27Å; H239-R243 PolarHBondContact O-N 3.13Å; H239-Q259 HydrophobicContact CB-CB 3.94Å; H239-P260 PolarHBondContact CD2-O 3.15Å; H239-P260 PolarHBondContact NE2-O 2.81Å; H239-L262 WeakPolarHBondContact NE2-CD1 3.33Å; H239-L262 WeakPolarHBondContact NE2-CG 3.16Å; H239-D265 IonicContact CD2-OD2 2.8Å; H239-D265 IonicContact CE1-OD1 3.57Å; H239-D265 IonicContact CE1-OD2 2.69Å; H239-D265 PolarHBondContact CE1-OD2 2.68Å; H239-D265 IonicContact NE2-OD1 3.62Å; H239-D265 IonicContact NE2-OD2 3.23Å; H239-D265 PolarHBondContact NE2-OD2 2.64Å
240	E	95.5	Very high	94.7	Very high	43 Å²	43	22.5 Å²	22.5	20%	0.201	10%	0.097	C	C	.	.	H	α-helix	trans	-63	-47.2	175.8	-64.8	180	109.2	0	0	111.5	R234 M236 D237 G242 R243 E244	R234-E240 IonicContact CZ-OE1 3.22Å; R234-E240 IonicContact CZ-OE2 3.44Å; R234-E240 IonicContact NH1-OE1 2.84Å; R234-E240 PolarHBondContact NH1-OE1 3.21Å; R234-E240 VanDerWaalsContact NH1-OE1 3.12Å; R234-E240 IonicContact NH1-OE2 3.27Å; R234-E240 PolarHBondContact NH1-OE2 2.72Å; R234-E240 IonicContact NH2-OE1 2.62Å; R234-E240 PolarHBondContact NH2-OE1 2.98Å; R234-E240 IonicContact NH2-OE2 3.17Å; M236-E240 HydrophobicContact CB-CB 4.39Å; M236-E240 HydrophobicContact CE-CB 3.62Å; D237-E240 PolarHBondContact N-OE2 2.97Å; D237-E240 PolarHBondContact O-N 3.45Å; D237-E240 WeakPolarHBondContact OD1-CG 3.48Å; D237-E240 PolarHBondContact OD1-N 2.99Å; E240-G242 PolarHBondContact O-N 2.9Å; E240-R243 WeakPolarHBondContact O-CB 3.34Å; E240-R243 PolarHBondContact O-N 3.43Å; E240-E244 PolarHBondContact O-N 2.85Å
241	V	97.1	Very high	94.5	Very high	2 Å²	2	24 Å²	24	1%	0.012	10%	0.103	C	C	.	.	H	α-helix	trans	-59.5	-47.9	178.9	174.8	0	0	0	0	110.7	V65 M236 D237 I238 R243 E244 I245 A438	V65-V241 HydrophobicContact CB-CG2 3.64Å; V65-V241 HydrophobicContact CG1-CG2 4.31Å; V65-V241 HydrophobicContact CG2-CG1 3.88Å; V65-V241 HydrophobicContact CG2-CG2 3.72Å; M236-V241 HydrophobicContact CB-CG2 3.77Å; M236-V241 HydrophobicContact CE-CG2 4.27Å; M236-V241 HydrophobicContact SD-CG2 4.31Å; D237-V241 WeakPolarHBondContact O-CG2 3.35Å; D237-V241 PolarHBondContact O-N 3.5Å; I238-V241 HydrophobicContact CD1-CB 4.44Å; I238-V241 HydrophobicContact CD1-CG2 4.39Å; V241-R243 VanDerWaalsContact C-N 3.3Å; V241-R243 PolarHBondContact O-N 3.18Å; V241-E244 PolarHBondContact O-N 3.27Å; V241-I245 HydrophobicContact CG1-CD1 3.91Å; V241-I245 HydrophobicContact CG1-CG1 4.39Å; V241-I245 VanDerWaalsContact O-CG1 3.27Å; V241-I245 WeakPolarHBondContact O-CG1 3.4Å; V241-I245 PolarHBondContact O-N 3.42Å; V241-A438 HydrophobicContact CG1-CB 4.07Å
242	G	96.4	Very high	94.2	Very high	2 Å²	2	27.6 Å²	27.6	2%	0.021	12%	0.122	C	C	.	.	H	α-helix	trans	-59.5	-42.1	177.4	0	0	0	0	0	112.1	I238 E240 E244 I245 R246 W258 L289	I238-G242 PolarHBondContact O-N 3.32Å; E240-G242 PolarHBondContact O-N 2.9Å; G242-E244 PolarHBondContact O-N 3.25Å; G242-I245 PolarHBondContact O-N 3.27Å; G242-R246 WeakPolarHBondContact O-CB 3.12Å; G242-R246 PolarHBondContact O-N 3.01Å; G242-W258 WeakPolarHBondContact O-CZ3 3.43Å; G242-L289 WeakPolarHBondContact O-CD2 3.5Å
243	R	95.7	Very high	93.9	Very high	54 Å²	54	30.1 Å²	30.1	20%	0.204	14%	0.142	C	C	.	.	H	α-helix	trans	-59.4	-45.5	176.7	-175.7	-170.5	-60.4	155	4.3	111.8	H239 E240 V241 R246 R247 A256 W258	H239-R243 WeakPolarHBondContact O-CB 3.27Å; H239-R243 PolarHBondContact O-N 3.13Å; E240-R243 WeakPolarHBondContact O-CB 3.34Å; E240-R243 PolarHBondContact O-N 3.43Å; V241-R243 VanDerWaalsContact C-N 3.3Å; V241-R243 PolarHBondContact O-N 3.18Å; R243-R246 PolarHBondContact O-N 2.86Å; R243-R247 WeakPolarHBondContact O-CB 3.37Å; R243-R247 VanDerWaalsContact O-CG 3.3Å; R243-R247 WeakPolarHBondContact O-CG 3.45Å; R243-R247 PolarHBondContact O-N 3.09Å; R243-A256 WeakPolarHBondContact CD-O 3.43Å; R243-A256 PolarHBondContact NE-O 2.96Å; R243-W258 HydrophobicContact CB-CE3 4.28Å; R243-W258 WeakPolarHBondContact CG-O 3.35Å; R243-W258 PolarHBondContact NE-O 3.44Å
244	E	95.4	Very high	93.8	Very high	21 Å²	21	29.4 Å²	29.4	10%	0.098	14%	0.139	C	C	.	.	H	α-helix	trans	-68.9	-38.8	179.2	-66.7	-52.3	126.2	0	0	112.2	W163 M236 E240 V241 G242 R246 R247 Q248 L437	W163-E244 HydrophobicContact CZ2-CB 4.24Å; W163-E244 HydrophobicContact CZ2-CG 4.12Å; M236-E244 HydrophobicContact CE-CG 4.08Å; E240-E244 PolarHBondContact O-N 2.85Å; V241-E244 PolarHBondContact O-N 3.27Å; G242-E244 PolarHBondContact O-N 3.25Å; E244-R246 VanDerWaalsContact C-N 3.34Å; E244-R246 PolarHBondContact O-N 3.25Å; E244-R247 PolarHBondContact O-N 3.01Å; E244-R247 IonicContact OE1-CZ 2.68Å; E244-R247 IonicContact OE1-NH1 3.94Å; E244-R247 PolarHBondContact OE1-NH1 3.42Å; E244-Q248 VanDerWaalsContact O-CG 3.31Å; E244-Q248 WeakPolarHBondContact O-CG 3.43Å; E244-Q248 PolarHBondContact O-N 3.14Å; E244-L437 HydrophobicContact CB-CD2 3.82Å
245	I	96.5	Very high	93.7	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-55.8	-51.4	171.2	-67.9	171.6	0	0	0	110.4	L32 V241 G242 R247 Q248 L249 L289 F290 V436 L437 A438	L32-I245 HydrophobicContact CD1-CD1 3.49Å; L32-I245 VanDerWaalsContact CD1-CD1 3.49Å; V241-I245 HydrophobicContact CG1-CD1 3.91Å; V241-I245 HydrophobicContact CG1-CG1 4.39Å; V241-I245 VanDerWaalsContact O-CG1 3.27Å; V241-I245 WeakPolarHBondContact O-CG1 3.4Å; V241-I245 PolarHBondContact O-N 3.42Å; G242-I245 PolarHBondContact O-N 3.27Å; I245-R247 PolarHBondContact O-N 3.06Å; I245-Q248 WeakPolarHBondContact O-CB 3.43Å; I245-Q248 PolarHBondContact O-N 2.83Å; I245-L249 HydrophobicContact CG2-CD1 4.14Å; I245-L249 WeakPolarHBondContact O-CG 3.36Å; I245-L249 PolarHBondContact O-N 2.91Å; I245-L289 HydrophobicContact CB-CD2 4.26Å; I245-L289 HydrophobicContact CD1-CD1 4.08Å; I245-L289 HydrophobicContact CG2-CB 4.28Å; I245-L289 HydrophobicContact CG2-CD1 4.33Å; I245-L289 HydrophobicContact CG2-CD2 4.26Å; I245-F290 HydrophobicContact CG2-CE2 4.06Å; I245-V436 HydrophobicContact CG2-CG1 4.15Å; I245-L437 VanDerWaalsContact CG1-O 3.24Å; I245-L437 WeakPolarHBondContact CG1-O 3.11Å; I245-A438 HydrophobicContact CD1-CB 4.09Å
246	R	94.6	Very high	93	Very high	45 Å²	45	31.3 Å²	31.3	17%	0.17	17%	0.169	C	C	.	.	H	α-helix	trans	-66	-40.4	-177.2	-164.9	-179.5	174	145.9	5.9	111.4	G242 R243 E244 Q248 L249 E250 T254 W258 L289 T291	G242-R246 WeakPolarHBondContact O-CB 3.12Å; G242-R246 PolarHBondContact O-N 3.01Å; R243-R246 PolarHBondContact O-N 2.86Å; E244-R246 VanDerWaalsContact C-N 3.34Å; E244-R246 PolarHBondContact O-N 3.25Å; R246-Q248 VanDerWaalsContact C-N 3.25Å; R246-Q248 PolarHBondContact O-N 2.93Å; R246-L249 PolarHBondContact O-N 3.33Å; R246-L249 VanDerWaalsContact O-N 3.09Å; R246-E250 HydrophobicContact CG-CB 4.36Å; R246-E250 IonicContact CZ-OE2 2.6Å; R246-E250 IonicContact NE-OE2 3.36Å; R246-E250 PolarHBondContact NE-OE2 2.92Å; R246-E250 IonicContact NH2-OE1 3.62Å; R246-E250 IonicContact NH2-OE2 3.04Å; R246-E250 PolarHBondContact NH2-OE2 2.9Å; R246-E250 WeakPolarHBondContact O-CA 3.29Å; R246-E250 WeakPolarHBondContact O-CB 3.37Å; R246-E250 PolarHBondContact O-N 3.33Å; R246-T254 HydrophobicContact CB-CG2 4.23Å; R246-T254 HydrophobicContact CG-CG2 4.12Å; R246-W258 HydrophobicContact CB-CE3 4.14Å; R246-W258 HydrophobicContact CB-CH2 4.15Å; R246-W258 HydrophobicContact CB-CZ3 3.71Å; R246-W258 HydrophobicContact CG-CH2 4.46Å; R246-W258 HydrophobicContact CG-CZ3 4.33Å; R246-W258 VanDerWaalsContact NH1-NE1 3.12Å; R246-L289 HydrophobicContact CB-CD2 4.46Å; R246-T291 PolarHBondContact NH2-OG1 3.31Å
247	R	92.6	Very high	92.7	Very high	66 Å²	66	37.1 Å²	37.1	25%	0.249	20%	0.204	C	C	.	.	H	α-helix	trans	-60.6	-31.3	173.9	-79.1	172.9	165.3	-177.3	-12	113.6	R243 E244 I245 L249 R251 T254 A256	R243-R247 WeakPolarHBondContact O-CB 3.37Å; R243-R247 VanDerWaalsContact O-CG 3.3Å; R243-R247 WeakPolarHBondContact O-CG 3.45Å; R243-R247 PolarHBondContact O-N 3.09Å; E244-R247 PolarHBondContact O-N 3.01Å; E244-R247 IonicContact OE1-CZ 2.68Å; E244-R247 IonicContact OE1-NH1 3.94Å; E244-R247 PolarHBondContact OE1-NH1 3.42Å; I245-R247 PolarHBondContact O-N 3.06Å; R247-L249 VanDerWaalsContact C-N 3.32Å; R247-R251 WeakPolarHBondContact O-CA 3.4Å; R247-R251 PolarHBondContact O-N 3.1Å; R247-T254 HydrophobicContact CG-CG2 3.85Å; R247-A256 VanDerWaalsContact NH2-CB 3.32Å
248	Q	94.2	Very high	92.5	Very high	8 Å²	8	38.4 Å²	38.4	4%	0.037	21%	0.207	C	C	.	.	H	α-helix	trans	-74.7	-21.1	176.5	-75.1	-175.3	5.4	0	0	113.7	W163 E244 I245 R246 R337 V436	W163-Q248 VanDerWaalsContact CH2-NE2 3.34Å; E244-Q248 VanDerWaalsContact O-CG 3.31Å; E244-Q248 WeakPolarHBondContact O-CG 3.43Å; E244-Q248 PolarHBondContact O-N 3.14Å; I245-Q248 WeakPolarHBondContact O-CB 3.43Å; I245-Q248 PolarHBondContact O-N 2.83Å; R246-Q248 VanDerWaalsContact C-N 3.25Å; R246-Q248 PolarHBondContact O-N 2.93Å; Q248-R337 VanDerWaalsContact CB-NH1 3.33Å; Q248-R337 VanDerWaalsContact CG-NH1 3.31Å; Q248-V436 HydrophobicContact CB-CG1 4.18Å; Q248-V436 VanDerWaalsContact OE1-CA 3.31Å
249	L	93.2	Very high	92.4	Very high	7 Å²	7	42.1 Å²	42.1	4%	0.037	23%	0.225	C	C	.	.	H	α-helix	trans	-99	-43.2	178.5	-63.6	169.1	0	0	0	112.4	F26 I245 R246 R247 F290 W432 V436	F26-L249 HydrophobicContact CZ-CD2 4.41Å; I245-L249 HydrophobicContact CG2-CD1 4.14Å; I245-L249 WeakPolarHBondContact O-CG 3.36Å; I245-L249 PolarHBondContact O-N 2.91Å; R246-L249 PolarHBondContact O-N 3.33Å; R246-L249 VanDerWaalsContact O-N 3.09Å; R247-L249 VanDerWaalsContact C-N 3.32Å; L249-F290 HydrophobicContact CD1-CD1 4.44Å; L249-F290 HydrophobicContact CD1-CD2 3.61Å; L249-F290 HydrophobicContact CD1-CE1 4.25Å; L249-F290 HydrophobicContact CD1-CE2 3.37Å; L249-F290 HydrophobicContact CD1-CG 4.13Å; L249-F290 HydrophobicContact CD1-CZ 3.7Å; L249-F290 HydrophobicContact CD2-CZ 4.32Å; L249-W432 HydrophobicContact CD2-CH2 3.55Å; L249-W432 HydrophobicContact CD2-CZ2 3.92Å; L249-W432 HydrophobicContact CD2-CZ3 3.9Å; L249-V436 HydrophobicContact CD2-CG2 3.85Å; L249-V436 HydrophobicContact CG-CG1 4.46Å
250	E	90	Very high	92.3	Very high	24 Å²	24	41.2 Å²	41.2	11%	0.112	22%	0.221	C	C	.	.	S	Bend	trans	-120.2	58.8	-172.4	-84.3	-168.9	-169.8	0	0	109.8	R246 N252 S253 T254 T291 T292	R246-E250 HydrophobicContact CG-CB 4.36Å; R246-E250 IonicContact CZ-OE2 2.6Å; R246-E250 IonicContact NE-OE2 3.36Å; R246-E250 PolarHBondContact NE-OE2 2.92Å; R246-E250 IonicContact NH2-OE1 3.62Å; R246-E250 IonicContact NH2-OE2 3.04Å; R246-E250 PolarHBondContact NH2-OE2 2.9Å; R246-E250 WeakPolarHBondContact O-CA 3.29Å; R246-E250 WeakPolarHBondContact O-CB 3.37Å; R246-E250 PolarHBondContact O-N 3.33Å; E250-N252 PolarHBondContact O-N 3.21Å; E250-S253 WeakPolarHBondContact CB-OG 3.43Å; E250-S253 PolarHBondContact O-N 3.43Å; E250-S253 PolarHBondContact OE2-OG 2.98Å; E250-T254 WeakPolarHBondContact CB-OG1 3.27Å; E250-T254 WeakPolarHBondContact O-CB 3.24Å; E250-T254 PolarHBondContact O-N 3.5Å; E250-T254 PolarHBondContact O-OG1 3.25Å; E250-T291 PolarHBondContact OE1-OG1 3Å; E250-T292 HydrophobicContact CG-CG2 3.3Å; E250-T292 WeakPolarHBondContact OE1-CG2 3.38Å
251	R	86	Confident	92.2	Very high	30 Å²	30	44.1 Å²	44.1	11%	0.113	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-45.5	-170.5	-179.9	178	177	-98.2	18.1	114	D116 E118 R119 R247 L306	D116-R251 VanDerWaalsContact CG-NH2 3.3Å; D116-R251 IonicContact OD1-CZ 2.67Å; D116-R251 IonicContact OD1-NH2 2.86Å; D116-R251 PolarHBondContact OD1-NH2 3.01Å; D116-R251 IonicContact OD2-CZ 2.71Å; D116-R251 VanDerWaalsContact OD2-CZ 3.24Å; D116-R251 IonicContact OD2-NE 3.9Å; D116-R251 PolarHBondContact OD2-NE 3.37Å; D116-R251 IonicContact OD2-NH2 3.82Å; D116-R251 PolarHBondContact OD2-NH2 2.8Å; E118-R251 IonicContact OE2-CZ 3.07Å; E118-R251 IonicContact OE2-NH1 2.7Å; E118-R251 PolarHBondContact OE2-NH1 2.87Å; E118-R251 IonicContact OE2-NH2 2.74Å; E118-R251 PolarHBondContact OE2-NH2 3.12Å; R119-R251 PolarHBondContact NH2-O 3.31Å; R247-R251 WeakPolarHBondContact O-CA 3.4Å; R247-R251 PolarHBondContact O-N 3.1Å; R251-L306 HydrophobicContact CB-CD1 4.05Å
252	N	87	Confident	92.1	Very high	79 Å²	79	44.1 Å²	44.1	42%	0.422	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-15.8	-174.4	-64	-9.4	0	0	0	112.9	R119 E250 E305	R119-N252 PolarHBondContact NH2-OD1 3.13Å; E250-N252 PolarHBondContact O-N 3.21Å; N252-E305 PolarHBondContact ND2-OE2 3.23Å
253	S	87.3	Confident	91.9	Very high	76 Å²	76	46 Å²	46	53%	0.531	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.6	-12.5	-172.8	55.3	0	0	0	0	114.7	E250 P255	E250-S253 WeakPolarHBondContact CB-OG 3.43Å; E250-S253 PolarHBondContact O-N 3.43Å; E250-S253 PolarHBondContact OE2-OG 2.98Å; S253-P255 VanDerWaalsContact O-CD 3.23Å; S253-P255 WeakPolarHBondContact O-CD 3.49Å
254	T	91.4	Very high	91.5	Very high	15 Å²	15	49.5 Å²	49.5	9%	0.092	26%	0.264	C	S	.	.			trans	-85.2	113	-178.3	-55.2	0	0	0	0	111.8	R246 R247 E250 W258	R246-T254 HydrophobicContact CB-CG2 4.23Å; R246-T254 HydrophobicContact CG-CG2 4.12Å; R247-T254 HydrophobicContact CG-CG2 3.85Å; E250-T254 WeakPolarHBondContact CB-OG1 3.27Å; E250-T254 WeakPolarHBondContact O-CB 3.24Å; E250-T254 PolarHBondContact O-N 3.5Å; E250-T254 PolarHBondContact O-OG1 3.25Å; T254-W258 HydrophobicContact CG2-CB 4.18Å; T254-W258 HydrophobicContact CG2-CD2 4.47Å; T254-W258 HydrophobicContact CG2-CE3 4.32Å; T254-W258 HydrophobicContact CG2-CG 4.41Å
255	P	89.4	Confident	91.2	Very high	74 Å²	74	51 Å²	51	48%	0.481	27%	0.273	S	S	.	.			trans	-65	151.6	177.3	-20.4	33.8	0	0	0	112.3	S253 V257 W258	S253-P255 VanDerWaalsContact O-CD 3.23Å; S253-P255 WeakPolarHBondContact O-CD 3.49Å; P255-V257 HydrophobicContact CB-CG2 4.42Å; P255-V257 PolarHBondContact O-N 3.03Å; P255-W258 HydrophobicContact CB-CB 4.49Å; P255-W258 VanDerWaalsContact O-CB 3.32Å; P255-W258 WeakPolarHBondContact O-CB 3.29Å; P255-W258 PolarHBondContact O-N 2.82Å; P255-W258 VanDerWaalsContact O-N 3.12Å
256	A	83.8	Confident	90.4	Very high	62 Å²	62	52.6 Å²	52.6	51%	0.512	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-25.5	-178.2	0	0	0	0	0	114.9	R243 R247	R243-A256 WeakPolarHBondContact CD-O 3.43Å; R243-A256 PolarHBondContact NE-O 2.96Å; R247-A256 VanDerWaalsContact NH2-CB 3.32Å
257	V	89.3	Confident	89.7	Confident	126 Å²	126	60.6 Å²	60.6	76%	0.764	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-4.1	178.9	-62.8	0	0	0	0	113.3	P255	P255-V257 HydrophobicContact CB-CG2 4.42Å; P255-V257 PolarHBondContact O-N 3.03Å
258	W	94	Very high	89	Confident	49 Å²	49	62.4 Å²	62.4	19%	0.186	34%	0.337	C	S	.	.			trans	-64.5	142.9	-177.4	-177.8	87.8	0	0	0	111.3	G242 R243 R246 T254 P255 P260 L289	G242-W258 WeakPolarHBondContact O-CZ3 3.43Å; R243-W258 HydrophobicContact CB-CE3 4.28Å; R243-W258 WeakPolarHBondContact CG-O 3.35Å; R243-W258 PolarHBondContact NE-O 3.44Å; R246-W258 HydrophobicContact CB-CE3 4.14Å; R246-W258 HydrophobicContact CB-CH2 4.15Å; R246-W258 HydrophobicContact CB-CZ3 3.71Å; R246-W258 HydrophobicContact CG-CH2 4.46Å; R246-W258 HydrophobicContact CG-CZ3 4.33Å; R246-W258 VanDerWaalsContact NH1-NE1 3.12Å; T254-W258 HydrophobicContact CG2-CB 4.18Å; T254-W258 HydrophobicContact CG2-CD2 4.47Å; T254-W258 HydrophobicContact CG2-CE3 4.32Å; T254-W258 HydrophobicContact CG2-CG 4.41Å; P255-W258 HydrophobicContact CB-CB 4.49Å; P255-W258 VanDerWaalsContact O-CB 3.32Å; P255-W258 WeakPolarHBondContact O-CB 3.29Å; P255-W258 PolarHBondContact O-N 2.82Å; P255-W258 VanDerWaalsContact O-N 3.12Å; W258-P260 HydrophobicContact CH2-CB 4.07Å; W258-L289 HydrophobicContact CH2-CD2 3.74Å; W258-L289 HydrophobicContact CZ3-CD2 4.15Å
259	Q	94.7	Very high	88.2	Confident	82 Å²	82	65.5 Å²	65.5	38%	0.383	36%	0.363	S	S	.	.			trans	-148.1	150.2	172.5	63.5	-170.8	35	0	0	109.9	H239	H239-Q259 HydrophobicContact CB-CB 3.94Å
260	P	94.9	Very high	87.6	Confident	1 Å²	1	68.4 Å²	68.4	1%	0.006	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-64.7	151.2	170.5	30.1	-36.8	0	0	0	110.8	H239 W258 L262 L285	H239-P260 PolarHBondContact CD2-O 3.15Å; H239-P260 PolarHBondContact NE2-O 2.81Å; W258-P260 HydrophobicContact CH2-CB 4.07Å; P260-L262 HydrophobicContact CG-CD2 4.38Å; P260-L285 HydrophobicContact CB-CD2 4.05Å
261	H	93.5	Very high	87.3	Confident	104 Å²	104	78.6 Å²	78.6	48%	0.481	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-79.3	117.9	167.6	-66	-74.4	0	0	0	109.4	Q199 A282 Q288	Q199-H261 PolarHBondContact NE2-O 3.07Å; H261-A282 HydrophobicContact CB-CB 4.22Å; H261-Q288 PolarHBondContact O-NE2 3.49Å
262	L	94.9	Very high	87.2	Confident	2 Å²	2	83.4 Å²	83.4	1%	0.01	45%	0.451	C	S	.	.	P	Polyproline II helix	trans	-86.9	168.5	171.3	-54.4	-175.8	0	0	0	109.7	V35 A51 P52 I238 H239 P260 E264 D265 A266 L285	V35-L262 HydrophobicContact CG1-CD2 3.82Å; V35-L262 HydrophobicContact CG2-CB 4.49Å; A51-L262 HydrophobicContact CB-CD1 4.27Å; P52-L262 HydrophobicContact CG-CD1 4.29Å; I238-L262 HydrophobicContact CB-CD1 4.43Å; I238-L262 HydrophobicContact CB-CD2 4.36Å; I238-L262 HydrophobicContact CG2-CD2 3.91Å; H239-L262 WeakPolarHBondContact NE2-CD1 3.33Å; H239-L262 WeakPolarHBondContact NE2-CG 3.16Å; P260-L262 HydrophobicContact CG-CD2 4.38Å; L262-E264 PolarHBondContact O-N 2.91Å; L262-E264 VanDerWaalsContact O-N 3.13Å; L262-D265 VanDerWaalsContact CB-OD2 3.29Å; L262-D265 WeakPolarHBondContact CB-OD2 3.41Å; L262-D265 PolarHBondContact N-OD2 3.24Å; L262-D265 PolarHBondContact O-N 2.98Å; L262-A266 PolarHBondContact O-N 3.34Å; L262-L285 HydrophobicContact CD2-CD2 4.02Å
263	P	91.5	Very high	86.8	Confident	41 Å²	41	87.4 Å²	87.4	27%	0.266	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-31.6	-179.1	-25.1	36	0	0	0	113.3	V35 Q199 P201 A266	V35-P263 VanDerWaalsContact CG2-CD 3.43Å; V35-P263 HydrophobicContact CG2-CG 3.92Å; Q199-P263 HydrophobicContact CB-CG 3.92Å; Q199-P263 VanDerWaalsContact OE1-CD 3.31Å; P201-P263 HydrophobicContact CG-CB 4Å; P201-P263 HydrophobicContact CG-CG 3.56Å; P263-A266 WeakPolarHBondContact O-CB 3.2Å
264	E	87.3	Confident	86.8	Confident	127 Å²	127	87 Å²	87	59%	0.593	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-21.7	177.9	-61.6	-178.7	-170	0	0	113.1	L262	L262-E264 PolarHBondContact O-N 2.91Å; L262-E264 VanDerWaalsContact O-N 3.13Å
265	D	88.8	Confident	86.5	Confident	54 Å²	54	88.3 Å²	88.3	29%	0.289	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-9.6	177.7	-52.6	-51.3	0	0	0	112.8	H239 L262 R267	H239-D265 IonicContact CD2-OD2 2.8Å; H239-D265 IonicContact CE1-OD1 3.57Å; H239-D265 IonicContact CE1-OD2 2.69Å; H239-D265 PolarHBondContact CE1-OD2 2.68Å; H239-D265 IonicContact NE2-OD1 3.62Å; H239-D265 IonicContact NE2-OD2 3.23Å; H239-D265 PolarHBondContact NE2-OD2 2.64Å; L262-D265 VanDerWaalsContact CB-OD2 3.29Å; L262-D265 WeakPolarHBondContact CB-OD2 3.41Å; L262-D265 PolarHBondContact N-OD2 3.24Å; L262-D265 PolarHBondContact O-N 2.98Å; D265-R267 PolarHBondContact O-N 2.88Å
266	A	79.9	Confident	86.4	Confident	33 Å²	33	85.9 Å²	85.9	27%	0.273	48%	0.475	S	S	.	.			trans	-62.3	133.8	-166.6	0	0	0	0	0	112	L262 P263 A282	L262-A266 PolarHBondContact O-N 3.34Å; P263-A266 WeakPolarHBondContact O-CB 3.2Å; A266-A282 HydrophobicContact CB-CB 3.9Å
267	R	79.7	Confident	86.6	Confident	213 Å²	213	83.4 Å²	83.4	80%	0.804	45%	0.453	S	S	*	.			trans	-120.6	141.4	166.8	-62	-175.8	-176.9	-175.8	0.6	108.1	D265 A269	D265-R267 PolarHBondContact O-N 2.88Å; R267-A269 PolarHBondContact O-N 2.91Å
268	P	78.5	Confident	86.5	Confident	104 Å²	104	78.2 Å²	78.2	68%	0.675	42%	0.422	S	S	*	.			trans	-52.6	131	176.3	-27.2	34.9	0	0	0	111.7	V279 F280	P268-V279 CarbonylContact C-O 3.42Å; P268-V279 VanDerWaalsContact CA-O 3.27Å; P268-V279 WeakPolarHBondContact CA-O 3.31Å; P268-F280 HydrophobicContact CB-CD1 4.26Å
269	A	76.5	Confident	86.1	Confident	72 Å²	72	77.2 Å²	77.2	60%	0.595	42%	0.422	S	S	*	.			trans	-144.1	130.4	-178.2	0	0	0	0	0	111.5	R267 V279	R267-A269 PolarHBondContact O-N 2.91Å; A269-V279 PolarHBondContact N-O 3.5Å; A269-V279 WeakPolarHBondContact O-CA 3.47Å; A269-V279 WeakPolarHBondContact O-CB 3.29Å
270	G	81.1	Confident	85.7	Confident	69 Å²	69	78.2 Å²	78.2	71%	0.711	43%	0.425	S	S	*	.	S	Bend	trans	88.2	-171.1	177.9	0	0	0	0	0	114.9
271	W	83.3	Confident	85.4	Confident	237 Å²	237	81.6 Å²	81.6	90%	0.898	44%	0.44	S	S	*	.			trans	-105.9	128.5	-177	-62.7	95.2	0	0	0	111	Q273 V279	W271-Q273 PolarHBondContact O-N 3.17Å; W271-V279 WeakPolarHBondContact O-CG1 3.34Å
272	R	83.9	Confident	85.3	Confident	131 Å²	131	76.8 Å²	76.8	49%	0.494	42%	0.419	S	S	.	.			trans	-61.1	125.9	177.6	-164.1	-171.1	177.6	175.8	-2.7	110.3	G274 G275 D276 V279 F280	R272-G274 PolarHBondContact NE-O 2.91Å; R272-G275 PolarHBondContact NH2-O 2.91Å; R272-D276 WeakPolarHBondContact CG-O 3.27Å; R272-V279 HydrophobicContact CB-CG2 3.89Å; R272-V279 HydrophobicContact CG-CG2 4.14Å; R272-F280 HydrophobicContact CG-CE2 4.47Å
273	Q	79.8	Confident	85.2	Confident	163 Å²	163	79.7 Å²	79.7	76%	0.762	44%	0.438	S	S	*	.			trans	-102	104.7	175.9	-67.2	-171.1	1.1	0	0	110.5	W271 G275 D276	W271-Q273 PolarHBondContact O-N 3.17Å; Q273-G275 PolarHBondContact O-N 3.38Å; Q273-D276 WeakPolarHBondContact O-CB 3.48Å; Q273-D276 PolarHBondContact O-N 3.25Å; Q273-D276 VanDerWaalsContact O-N 3.12Å
274	G	86.3	Confident	85.2	Confident	69 Å²	69	78 Å²	78	71%	0.711	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.1	-128	-177.8	0	0	0	0	0	112.1	R272 D276	R272-G274 PolarHBondContact NE-O 2.91Å; G274-D276 VanDerWaalsContact C-N 3.33Å
275	G	85.8	Confident	85.6	Confident	41 Å²	41	72.1 Å²	72.1	42%	0.423	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-16.2	178.9	0	0	0	0	0	114.9	P194 R272 Q273 T277	P194-G275 WeakPolarHBondContact CG-O 3.45Å; R272-G275 PolarHBondContact NH2-O 2.91Å; Q273-G275 PolarHBondContact O-N 3.38Å; G275-T277 PolarHBondContact O-N 3.45Å
276	D	86.2	Confident	85.8	Confident	24 Å²	24	69.7 Å²	69.7	13%	0.128	39%	0.387	C	S	.	.			trans	-70.1	118.8	-169.1	-164.8	-28.6	0	0	0	112	P194 A195 R196 R272 Q273 G274 S278	P194-D276 CarbonylContact O-C 3.58Å; P194-D276 WeakPolarHBondContact O-CA 3.49Å; A195-D276 WeakPolarHBondContact CA-OD1 3.38Å; R196-D276 WeakPolarHBondContact CB-OD2 3.37Å; R196-D276 WeakPolarHBondContact CG-OD2 3.28Å; R196-D276 PolarHBondContact N-OD1 3.14Å; R272-D276 WeakPolarHBondContact CG-O 3.27Å; Q273-D276 WeakPolarHBondContact O-CB 3.48Å; Q273-D276 PolarHBondContact O-N 3.25Å; Q273-D276 VanDerWaalsContact O-N 3.12Å; G274-D276 VanDerWaalsContact C-N 3.33Å; D276-S278 VanDerWaalsContact OD1-CB 3.22Å; D276-S278 WeakPolarHBondContact OD1-CB 3.47Å; D276-S278 PolarHBondContact OD1-N 3.07Å; D276-S278 PolarHBondContact OD1-OG 3.31Å
277	T	87.8	Confident	86.4	Confident	9 Å²	9	70.5 Å²	70.5	6%	0.055	39%	0.386	C	S	.	.			trans	-92.6	8.1	-179.3	52.7	0	0	0	0	113.5	P193 P194 G275 V279 F280 H281	P193-T277 HydrophobicContact CB-CG2 3.58Å; P193-T277 HydrophobicContact CG-CG2 3.96Å; P194-T277 PolarHBondContact O-N 3.44Å; P194-T277 PolarHBondContact O-OG1 3.05Å; G275-T277 PolarHBondContact O-N 3.45Å; T277-V279 PolarHBondContact O-N 2.84Å; T277-F280 HydrophobicContact CG2-CD2 4Å; T277-F280 HydrophobicContact CG2-CE2 4.16Å; T277-F280 WeakPolarHBondContact O-CB 3.48Å; T277-F280 PolarHBondContact O-N 3.01Å; T277-H281 PolarHBondContact O-CD2 2.82Å
278	S	88.2	Confident	87.1	Confident	18 Å²	18	61.4 Å²	61.4	13%	0.126	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-53	-32.3	-178.2	-59.4	0	0	0	0	113.4	A195 R196 F197 D276 F280 H281	A195-S278 VanDerWaalsContact C-OG 3.29Å; A195-S278 WeakPolarHBondContact CA-OG 3.39Å; R196-S278 PolarHBondContact N-OG 3.2Å; F197-S278 PolarHBondContact N-OG 3.47Å; D276-S278 VanDerWaalsContact OD1-CB 3.22Å; D276-S278 WeakPolarHBondContact OD1-CB 3.47Å; D276-S278 PolarHBondContact OD1-N 3.07Å; D276-S278 PolarHBondContact OD1-OG 3.31Å; S278-F280 PolarHBondContact O-N 2.86Å; S278-F280 VanDerWaalsContact O-N 3.13Å; S278-H281 PolarHBondContact O-N 3.39Å; S278-H281 VanDerWaalsContact O-O 3.1Å
279	V	86.5	Confident	87.8	Confident	28 Å²	28	56.6 Å²	56.6	17%	0.17	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-61.3	-17.3	177.3	-63.1	0	0	0	0	114.6	P268 A269 W271 R272 T277	P268-V279 CarbonylContact C-O 3.42Å; P268-V279 VanDerWaalsContact CA-O 3.27Å; P268-V279 WeakPolarHBondContact CA-O 3.31Å; A269-V279 PolarHBondContact N-O 3.5Å; A269-V279 WeakPolarHBondContact O-CA 3.47Å; A269-V279 WeakPolarHBondContact O-CB 3.29Å; W271-V279 WeakPolarHBondContact O-CG1 3.34Å; R272-V279 HydrophobicContact CB-CG2 3.89Å; R272-V279 HydrophobicContact CG-CG2 4.14Å; T277-V279 PolarHBondContact O-N 2.84Å
280	F	86.4	Confident	88.7	Confident	102 Å²	102	53.3 Å²	53.3	45%	0.447	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-94.4	-4	177.6	-56.1	-54.7	0	0	0	113.2	P268 R272 T277 S278	P268-F280 HydrophobicContact CB-CD1 4.26Å; R272-F280 HydrophobicContact CG-CE2 4.47Å; T277-F280 HydrophobicContact CG2-CD2 4Å; T277-F280 HydrophobicContact CG2-CE2 4.16Å; T277-F280 WeakPolarHBondContact O-CB 3.48Å; T277-F280 PolarHBondContact O-N 3.01Å; S278-F280 PolarHBondContact O-N 2.86Å; S278-F280 VanDerWaalsContact O-N 3.13Å
281	H	87.6	Confident	88.9	Confident	72 Å²	72	53.4 Å²	53.4	33%	0.333	28%	0.281	S	S	.	.	S	Bend	trans	-125	164.3	-173.4	-58.6	-67.3	0	0	0	110.8	A198 T277 S278	A198-H281 HydrophobicContact CB-CB 3.55Å; T277-H281 PolarHBondContact O-CD2 2.82Å; S278-H281 PolarHBondContact O-N 3.39Å; S278-H281 VanDerWaalsContact O-O 3.1Å
282	A	91.6	Very high	89	Confident	4 Å²	4	43.7 Å²	43.7	3%	0.033	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-66.6	137	171.1	0	0	0	0	0	109.9	A198 Q199 H261 A266	A198-A282 CarbonylContact C-O 3.57Å; A198-A282 WeakPolarHBondContact CA-O 3.37Å; Q199-A282 PolarHBondContact N-O 2.92Å; H261-A282 HydrophobicContact CB-CB 4.22Å; A266-A282 HydrophobicContact CB-CB 3.9Å
283	P	91.6	Very high	89.1	Confident	63 Å²	63	45.9 Å²	45.9	41%	0.409	26%	0.263	S	S	.	.	B	Isolated β-bridge	trans	-58.2	153.7	172.7	-23	33.1	0	0	0	111.7	F197 Q199 Q288	F197-P283 CarbonylContact O-C 3.59Å; F197-P283 VanDerWaalsContact O-CA 3.28Å; F197-P283 WeakPolarHBondContact O-CA 3.41Å; Q199-P283 WeakPolarHBondContact CG-O 3.36Å; Q199-P283 PolarHBondContact NE2-O 3.07Å; P283-Q288 HydrophobicContact CB-CG 4.09Å; P283-Q288 PolarHBondContact O-NE2 2.94Å
284	S	92.6	Very high	89.6	Confident	6 Å²	6	38.6 Å²	38.6	4%	0.042	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-58.6	145.7	177	64.8	0	0	0	0	112.2	H33 F197 N286 L287 Q288	H33-S284 WeakPolarHBondContact O-CA 3.24Å; F197-S284 PolarHBondContact O-N 2.57Å; S284-N286 VanDerWaalsContact C-N 3.33Å; S284-N286 VanDerWaalsContact CB-OD1 3.31Å; S284-N286 WeakPolarHBondContact CB-OD1 3.34Å; S284-N286 PolarHBondContact O-N 3.39Å; S284-N286 PolarHBondContact OG-OD1 2.9Å; S284-L287 WeakPolarHBondContact O-CB 3.33Å; S284-L287 PolarHBondContact O-N 3.14Å; S284-L287 WeakPolarHBondContact OG-CD1 3.34Å; S284-L287 WeakPolarHBondContact OG-CG 3.49Å; S284-Q288 PolarHBondContact O-N 2.95Å
285	L	95.1	Very high	89.9	Confident	2 Å²	2	40.9 Å²	40.9	1%	0.01	22%	0.222	C	C	.	.	H	α-helix	trans	-57.2	-42.5	-171.7	-70.1	176.5	0	0	0	112.9	L32 H33 V35 A55 I238 P260 L262 L287 Q288 L289	L32-L285 HydrophobicContact CB-CB 3.98Å; L32-L285 HydrophobicContact CB-CD1 4.41Å; H33-L285 PolarHBondContact O-N 3.42Å; V35-L285 HydrophobicContact CG1-CD1 4.08Å; A55-L285 HydrophobicContact CB-CD1 4.38Å; I238-L285 HydrophobicContact CG2-CD1 4.24Å; P260-L285 HydrophobicContact CB-CD2 4.05Å; L262-L285 HydrophobicContact CD2-CD2 4.02Å; L285-L287 VanDerWaalsContact C-N 3.28Å; L285-L287 PolarHBondContact O-N 3.01Å; L285-Q288 PolarHBondContact O-N 3.12Å; L285-L289 HydrophobicContact CB-CD1 4.21Å; L285-L289 WeakPolarHBondContact O-CB 3.25Å; L285-L289 WeakPolarHBondContact O-CG 3.47Å; L285-L289 PolarHBondContact O-N 2.79Å
286	N	94.5	Very high	90.2	Very high	4 Å²	4	42 Å²	42	2%	0.021	22%	0.221	C	C	.	.	H	α-helix	trans	-56.3	-39.2	177	66.3	-46.8	0	0	0	113.3	P27 C30 L32 S284 Q288 L289 F290	P27-N286 WeakPolarHBondContact O-CB 3.1Å; P27-N286 PolarHBondContact O-ND2 3.19Å; P27-N286 VanDerWaalsContact O-ND2 3.07Å; C30-N286 HydrophobicContact CB-CB 3.75Å; C30-N286 WeakPolarHBondContact O-CB 3.5Å; L32-N286 WeakPolarHBondContact O-CB 3.34Å; L32-N286 PolarHBondContact O-N 3Å; L32-N286 PolarHBondContact O-OD1 3.41Å; S284-N286 VanDerWaalsContact C-N 3.33Å; S284-N286 VanDerWaalsContact CB-OD1 3.31Å; S284-N286 WeakPolarHBondContact CB-OD1 3.34Å; S284-N286 PolarHBondContact O-N 3.39Å; S284-N286 PolarHBondContact OG-OD1 2.9Å; N286-Q288 VanDerWaalsContact C-N 3.3Å; N286-Q288 PolarHBondContact O-N 2.79Å; N286-L289 PolarHBondContact O-N 3.29Å; N286-F290 WeakPolarHBondContact O-CB 3.47Å; N286-F290 PolarHBondContact O-N 3.42Å
287	L	92.5	Very high	90.5	Very high	50 Å²	50	43.9 Å²	43.9	26%	0.262	23%	0.229	S	C	.	.	H	α-helix	trans	-70.1	-28.5	178.1	-65.4	175.9	0	0	0	112.3	F25 P27 F197 S284 L285	F25-L287 HydrophobicContact CE1-CD2 3.74Å; F25-L287 HydrophobicContact CZ-CD2 4.12Å; P27-L287 HydrophobicContact CB-CD2 3.9Å; P27-L287 HydrophobicContact CG-CD2 4.23Å; F197-L287 HydrophobicContact CB-CD1 4.1Å; F197-L287 HydrophobicContact CD1-CD1 4.08Å; S284-L287 WeakPolarHBondContact O-CB 3.33Å; S284-L287 PolarHBondContact O-N 3.14Å; S284-L287 WeakPolarHBondContact OG-CD1 3.34Å; S284-L287 WeakPolarHBondContact OG-CG 3.49Å; L285-L287 VanDerWaalsContact C-N 3.28Å; L285-L287 PolarHBondContact O-N 3.01Å
288	Q	93.5	Very high	90.5	Very high	21 Å²	21	46.7 Å²	46.7	10%	0.098	26%	0.259	C	S	.	.	H	α-helix	trans	-81	-31.1	177.2	-60.7	-171.9	54.6	0	0	113	H261 P283 S284 L285 N286	H261-Q288 PolarHBondContact O-NE2 3.49Å; P283-Q288 HydrophobicContact CB-CG 4.09Å; P283-Q288 PolarHBondContact O-NE2 2.94Å; S284-Q288 PolarHBondContact O-N 2.95Å; L285-Q288 PolarHBondContact O-N 3.12Å; N286-Q288 VanDerWaalsContact C-N 3.3Å; N286-Q288 PolarHBondContact O-N 2.79Å
289	L	94.1	Very high	90.6	Very high	3 Å²	3	47.7 Å²	47.7	2%	0.016	27%	0.266	C	S	.	.	H	α-helix	trans	-90.5	-36.1	-172.9	-67	168.7	0	0	0	112.9	L32 G242 I245 R246 W258 L285 N286	L32-L289 HydrophobicContact CD1-CD1 3.82Å; G242-L289 WeakPolarHBondContact O-CD2 3.5Å; I245-L289 HydrophobicContact CB-CD2 4.26Å; I245-L289 HydrophobicContact CD1-CD1 4.08Å; I245-L289 HydrophobicContact CG2-CB 4.28Å; I245-L289 HydrophobicContact CG2-CD1 4.33Å; I245-L289 HydrophobicContact CG2-CD2 4.26Å; R246-L289 HydrophobicContact CB-CD2 4.46Å; W258-L289 HydrophobicContact CH2-CD2 3.74Å; W258-L289 HydrophobicContact CZ3-CD2 4.15Å; L285-L289 HydrophobicContact CB-CD1 4.21Å; L285-L289 WeakPolarHBondContact O-CB 3.25Å; L285-L289 WeakPolarHBondContact O-CG 3.47Å; L285-L289 PolarHBondContact O-N 2.79Å; N286-L289 PolarHBondContact O-N 3.29Å
290	F	93.6	Very high	91	Very high	3 Å²	3	46.7 Å²	46.7	1%	0.013	26%	0.26	C	S	.	.			trans	-106	66.2	-173.5	-81.8	-126.8	0	0	0	110.3	F26 P27 C30 I245 L249 N286 V433 A439	F26-F290 HydrophobicContact CD1-CB 4.03Å; F26-F290 AromaticContact CD1-CD1 3.67Å; F26-F290 HydrophobicContact CD1-CD1 3.67Å; F26-F290 HydrophobicContact CD1-CG 4.28Å; F26-F290 HydrophobicContact CD2-CD1 4.41Å; F26-F290 HydrophobicContact CE1-CB 4.15Å; F26-F290 AromaticContact CE1-CD1 3.29Å; F26-F290 HydrophobicContact CE1-CD1 3.29Å; F26-F290 AromaticContact CE1-CE1 3.89Å; F26-F290 HydrophobicContact CE1-CE1 3.89Å; F26-F290 AromaticContact CE1-CG 3.99Å; F26-F290 HydrophobicContact CE1-CG 3.99Å; F26-F290 HydrophobicContact CE2-CD1 4.06Å; F26-F290 HydrophobicContact CE2-CE1 4.12Å; F26-F290 HydrophobicContact CG-CD1 4.23Å; F26-F290 AromaticContact CZ-CD1 3.49Å; F26-F290 HydrophobicContact CZ-CD1 3.49Å; F26-F290 VanDerWaalsContact CZ-CD1 3.49Å; F26-F290 AromaticContact CZ-CE1 3.6Å; F26-F290 HydrophobicContact CZ-CE1 3.6Å; P27-F290 HydrophobicContact CB-CB 4.31Å; P27-F290 HydrophobicContact CG-CB 4.32Å; P27-F290 WeakPolarHBondContact CG-O 3.43Å; C30-F290 HydrophobicContact CB-CD1 3.99Å; C30-F290 HydrophobicContact CB-CD2 3.42Å; C30-F290 VanDerWaalsContact CB-CD2 3.42Å; C30-F290 HydrophobicContact CB-CE1 3.97Å; C30-F290 HydrophobicContact CB-CE2 3.4Å; C30-F290 HydrophobicContact CB-CG 3.76Å; C30-F290 HydrophobicContact CB-CZ 3.71Å; I245-F290 HydrophobicContact CG2-CE2 4.06Å; L249-F290 HydrophobicContact CD1-CD1 4.44Å; L249-F290 HydrophobicContact CD1-CD2 3.61Å; L249-F290 HydrophobicContact CD1-CE1 4.25Å; L249-F290 HydrophobicContact CD1-CE2 3.37Å; L249-F290 HydrophobicContact CD1-CG 4.13Å; L249-F290 HydrophobicContact CD1-CZ 3.7Å; L249-F290 HydrophobicContact CD2-CZ 4.32Å; N286-F290 WeakPolarHBondContact O-CB 3.47Å; N286-F290 PolarHBondContact O-N 3.42Å; F290-V433 HydrophobicContact CE1-CG1 4.17Å; F290-V433 HydrophobicContact CE1-CG2 3.77Å; F290-V433 HydrophobicContact CZ-CG1 4.09Å; F290-V433 HydrophobicContact CZ-CG2 4.29Å; F290-A439 HydrophobicContact CE2-CB 4.05Å; F290-A439 HydrophobicContact CZ-CB 3.78Å
291	T	86.8	Confident	91.4	Very high	72 Å²	72	41.9 Å²	41.9	44%	0.442	24%	0.239	S	C	.	.			trans	-89.1	-11.4	-174.4	44.3	0	0	0	0	114.8	R246 E250	R246-T291 PolarHBondContact NH2-OG1 3.31Å; E250-T291 PolarHBondContact OE1-OG1 3Å
292	T	84.1	Confident	91.8	Very high	32 Å²	32	41.2 Å²	41.2	20%	0.196	24%	0.236	C	C	.	.			trans	-87.4	163.7	178.6	56.6	0	0	0	0	113	F26 E250	F26-T292 WeakPolarHBondContact CD1-O 3.34Å; E250-T292 HydrophobicContact CG-CG2 3.3Å; E250-T292 WeakPolarHBondContact OE1-CG2 3.38Å
293	Q	86.2	Confident	91.8	Very high	177 Å²	177	41.4 Å²	41.4	83%	0.827	24%	0.238	S	C	*	.			trans	-116.7	92.4	169.3	-171.9	171.6	-4.7	0	0	109.1
294	P	91.9	Very high	91.6	Very high	10 Å²	10	41.3 Å²	41.3	7%	0.065	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-71.5	138	178.3	27.9	-33.9	0	0	0	111.6	F26 I301 Q302 A303 W432	F26-P294 HydrophobicContact CD1-CG 4.07Å; F26-P294 HydrophobicContact CD2-CG 3.51Å; F26-P294 HydrophobicContact CE1-CG 3.97Å; F26-P294 HydrophobicContact CE2-CG 3.44Å; F26-P294 VanDerWaalsContact CE2-CG 3.44Å; F26-P294 HydrophobicContact CG-CG 3.84Å; F26-P294 HydrophobicContact CZ-CG 3.69Å; P294-I301 HydrophobicContact CB-CG2 3.68Å; P294-Q302 CarbonylContact C-O 3.58Å; P294-Q302 WeakPolarHBondContact CA-O 3.25Å; P294-A303 HydrophobicContact CB-CB 4.25Å; P294-W432 HydrophobicContact CB-CZ3 4.04Å; P294-W432 HydrophobicContact CG-CZ3 4.11Å
295	E	91.8	Very high	91.4	Very high	117 Å²	117	47.7 Å²	47.7	55%	0.547	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	142.1	176.2	-63.3	-173.7	-178.6	0	0	110.7	H297 I301 Q302	E295-H297 IonicContact OE2-NE2 2.76Å; E295-I301 CarbonylContact O-C 3.57Å; E295-I301 WeakPolarHBondContact O-CA 3.25Å; E295-Q302 PolarHBondContact N-O 3.25Å; E295-Q302 PolarHBondContact O-N 3.31Å
296	T	92.1	Very high	91.3	Very high	65 Å²	65	48 Å²	48	40%	0.399	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	125.5	179.9	54.7	0	0	0	0	110.9	I301 P428 R429	T296-I301 HydrophobicContact CG2-CG1 4.31Å; T296-P428 HydrophobicContact CG2-CB 4.35Å; T296-R429 HydrophobicContact CG2-CG 3.63Å
297	H	92.1	Very high	91.4	Very high	63 Å²	63	49.4 Å²	49.4	29%	0.292	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	88.6	176.5	-64	-83.1	0	0	0	110.1	E295 S299 L300 W307	E295-H297 IonicContact OE2-NE2 2.76Å; H297-S299 PolarHBondContact O-N 2.99Å; H297-L300 PolarHBondContact N-O 3.4Å; H297-L300 PolarHBondContact O-N 2.87Å; H297-L300 VanDerWaalsContact O-N 3.17Å; H297-W307 HydrophobicContact CB-CH2 4.35Å; H297-W307 HydrophobicContact CB-CZ3 3.83Å; H297-W307 AromaticContact CD2-CH2 3.59Å; H297-W307 AromaticContact CD2-CZ3 3.6Å; H297-W307 AromaticContact CG-CH2 3.88Å; H297-W307 AromaticContact CG-CZ3 3.8Å; H297-W307 AromaticContact NE2-CH2 4Å
298	G	88.5	Confident	91.7	Very high	68 Å²	68	47.3 Å²	47.3	70%	0.701	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.5	-121.9	-171.2	0	0	0	0	0	110.5	P428	G298-P428 WeakPolarHBondContact O-CG 3.46Å
299	S	89.1	Confident	91.9	Very high	39 Å²	39	46.3 Å²	46.3	27%	0.273	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-6	175	54	0	0	0	0	114.2	H297 M310 T423	H297-S299 PolarHBondContact O-N 2.99Å; S299-M310 VanDerWaalsContact O-CE 3.27Å; S299-M310 WeakPolarHBondContact O-CE 3.47Å; S299-T423 WeakPolarHBondContact CB-O 3.28Å
300	L	95.5	Very high	92	Very high	8 Å²	8	46.1 Å²	46.1	4%	0.042	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	156.7	179.7	-58	178.7	0	0	0	111.1	H297 W307 H308 R399	H297-L300 PolarHBondContact N-O 3.4Å; H297-L300 PolarHBondContact O-N 2.87Å; H297-L300 VanDerWaalsContact O-N 3.17Å; L300-W307 HydrophobicContact CB-CE3 4.29Å; L300-W307 HydrophobicContact CD1-CE3 4.26Å; L300-H308 WeakPolarHBondContact CA-O 3.32Å; L300-R399 HydrophobicContact CD1-CG 3.86Å
301	I	95.2	Very high	92.2	Very high	0 Å²	0	46 Å²	46	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	136.1	172.6	-71.3	157.7	0	0	0	109.4	P294 E295 T296 A303 W307 H308 M310 P428 R429 W432	P294-I301 HydrophobicContact CB-CG2 3.68Å; E295-I301 CarbonylContact O-C 3.57Å; E295-I301 WeakPolarHBondContact O-CA 3.25Å; T296-I301 HydrophobicContact CG2-CG1 4.31Å; I301-A303 HydrophobicContact CG2-CB 4.44Å; I301-W307 CarbonylContact O-C 3.58Å; I301-W307 WeakPolarHBondContact O-CA 3.42Å; I301-H308 HydrophobicContact CB-CB 4.32Å; I301-H308 PolarHBondContact N-O 2.94Å; I301-H308 PolarHBondContact O-N 3.42Å; I301-M310 HydrophobicContact CD1-CE 3.68Å; I301-M310 HydrophobicContact CD1-SD 4.15Å; I301-M310 HydrophobicContact CG1-CE 4.29Å; I301-P428 HydrophobicContact CD1-CB 4.15Å; I301-P428 WeakPolarHBondContact CD1-O 3.15Å; I301-P428 HydrophobicContact CG1-CB 4.1Å; I301-R429 HydrophobicContact CD1-CG 4.49Å; I301-W432 HydrophobicContact CD1-CB 3.27Å; I301-W432 HydrophobicContact CD1-CD2 4.1Å; I301-W432 HydrophobicContact CD1-CE3 4.12Å; I301-W432 HydrophobicContact CD1-CG 3.8Å; I301-W432 HydrophobicContact CG2-CD2 4.5Å; I301-W432 HydrophobicContact CG2-CE3 4.2Å; I301-W432 HydrophobicContact CG2-CZ3 4.38Å
302	Q	94.9	Very high	92.7	Very high	58 Å²	58	42.7 Å²	42.7	27%	0.271	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	121.8	166	-173.8	177.9	-7.6	0	0	108.9	P294 E295 L306 W307	P294-Q302 CarbonylContact C-O 3.58Å; P294-Q302 WeakPolarHBondContact CA-O 3.25Å; E295-Q302 PolarHBondContact N-O 3.25Å; E295-Q302 PolarHBondContact O-N 3.31Å; Q302-L306 WeakPolarHBondContact CA-O 3.45Å; Q302-W307 HydrophobicContact CB-CD2 4.38Å; Q302-W307 HydrophobicContact CB-CE3 4.43Å; Q302-W307 HydrophobicContact CB-CH2 4.47Å; Q302-W307 HydrophobicContact CB-CZ2 4.43Å; Q302-W307 HydrophobicContact CB-CZ3 4.48Å; Q302-W307 HydrophobicContact CG-CZ2 4.33Å
303	A	92	Very high	93.3	Very high	9 Å²	9	41.2 Å²	41.2	7%	0.074	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	107.3	176.4	0	0	0	0	0	108.8	P294 I301 E305 L306 W432	P294-A303 HydrophobicContact CB-CB 4.25Å; I301-A303 HydrophobicContact CG2-CB 4.44Å; A303-E305 PolarHBondContact O-N 3.38Å; A303-L306 PolarHBondContact N-O 3.47Å; A303-L306 PolarHBondContact O-N 3.18Å; A303-W432 HydrophobicContact CB-CH2 3.71Å; A303-W432 HydrophobicContact CB-CZ2 4.18Å; A303-W432 HydrophobicContact CB-CZ3 4.4Å
304	G	86.7	Confident	93.8	Very high	61 Å²	61	35.5 Å²	35.5	63%	0.629	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.9	-125.3	-169.3	0	0	0	0	0	111.2
305	E	88.4	Confident	93.8	Very high	140 Å²	140	38.8 Å²	38.8	65%	0.654	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86	-6.6	-179.6	-60.9	177.4	159.8	0	0	113.6	N252 A303	N252-E305 PolarHBondContact ND2-OE2 3.23Å; A303-E305 PolarHBondContact O-N 3.38Å
306	L	94.4	Very high	93.6	Very high	8 Å²	8	35.9 Å²	35.9	4%	0.042	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	140.8	-172.2	-68	176.1	0	0	0	112.4	R251 Q302 A303 N397	R251-L306 HydrophobicContact CB-CD1 4.05Å; Q302-L306 WeakPolarHBondContact CA-O 3.45Å; A303-L306 PolarHBondContact N-O 3.47Å; A303-L306 PolarHBondContact O-N 3.18Å; L306-N397 WeakPolarHBondContact CD2-OD1 3.26Å
307	W	97	Very high	93.5	Very high	33 Å²	33	33.5 Å²	33.5	13%	0.125	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	134.9	167.8	-67.7	75.9	0	0	0	108.9	H297 L300 I301 Q302 W395 G396 R399 C402	H297-W307 HydrophobicContact CB-CH2 4.35Å; H297-W307 HydrophobicContact CB-CZ3 3.83Å; H297-W307 AromaticContact CD2-CH2 3.59Å; H297-W307 AromaticContact CD2-CZ3 3.6Å; H297-W307 AromaticContact CG-CH2 3.88Å; H297-W307 AromaticContact CG-CZ3 3.8Å; H297-W307 AromaticContact NE2-CH2 4Å; L300-W307 HydrophobicContact CB-CE3 4.29Å; L300-W307 HydrophobicContact CD1-CE3 4.26Å; I301-W307 CarbonylContact O-C 3.58Å; I301-W307 WeakPolarHBondContact O-CA 3.42Å; Q302-W307 HydrophobicContact CB-CD2 4.38Å; Q302-W307 HydrophobicContact CB-CE3 4.43Å; Q302-W307 HydrophobicContact CB-CH2 4.47Å; Q302-W307 HydrophobicContact CB-CZ2 4.43Å; Q302-W307 HydrophobicContact CB-CZ3 4.48Å; Q302-W307 HydrophobicContact CG-CZ2 4.33Å; W307-W395 CarbonylContact O-C 3.53Å; W307-W395 WeakPolarHBondContact O-CA 3.43Å; W307-W395 WeakPolarHBondContact O-CB 3.42Å; W307-G396 PolarHBondContact N-O 2.97Å; W307-G396 PolarHBondContact O-N 3.06Å; W307-R399 HydrophobicContact CD2-CB 3.8Å; W307-R399 HydrophobicContact CD2-CG 4.34Å; W307-R399 HydrophobicContact CE3-CB 3.88Å; W307-R399 HydrophobicContact CE3-CG 3.9Å; W307-R399 HydrophobicContact CG-CB 4.37Å; W307-R399 HydrophobicContact CH2-CB 4.25Å; W307-R399 HydrophobicContact CH2-CG 4.39Å; W307-R399 HydrophobicContact CZ2-CB 4.16Å; W307-R399 HydrophobicContact CZ3-CB 4.09Å; W307-R399 HydrophobicContact CZ3-CG 3.92Å; W307-C402 VanDerWaalsContact C-SG 3.54Å; W307-C402 HydrophobicContact CB-CB 3.53Å; W307-C402 PolarHBondContact O-SG 3.26Å; W307-C402 VanDerWaalsContact O-SG 3.32Å
308	H	97.4	Very high	93.4	Very high	6 Å²	6	36.9 Å²	36.9	3%	0.028	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	133.1	179.1	-63.5	-87.7	0	0	0	110.6	L300 I301 M310 T394 W432	L300-H308 WeakPolarHBondContact CA-O 3.32Å; I301-H308 HydrophobicContact CB-CB 4.32Å; I301-H308 PolarHBondContact N-O 2.94Å; I301-H308 PolarHBondContact O-N 3.42Å; H308-M310 HydrophobicContact CB-SD 4.46Å; H308-T394 WeakPolarHBondContact CA-O 3.38Å; H308-W432 AromaticContact CD2-CZ2 3.9Å; H308-W432 AromaticContact CD2-NE1 3.95Å; H308-W432 AromaticContact CE1-NE1 3.8Å; H308-W432 AromaticContact CG-CE2 3.94Å; H308-W432 AromaticContact CG-NE1 3.43Å; H308-W432 AromaticContact ND1-NE1 3.32Å; H308-W432 PolarHBondContact ND1-NE1 3.07Å; H308-W432 AromaticContact NE2-CZ2 3.75Å
309	G	97.6	Very high	93.4	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	132.7	175	0	0	0	0	0	110.1	T393 T394 C402	G309-T393 CarbonylContact O-C 3.47Å; G309-T393 VanDerWaalsContact O-CA 3.23Å; G309-T393 WeakPolarHBondContact O-CA 3.28Å; G309-T393 PolarHBondContact O-OG1 3.01Å; G309-T394 PolarHBondContact N-O 3.47Å; G309-T394 PolarHBondContact O-N 3.07Å; G309-C402 PolarHBondContact N-SG 3.43Å
310	M	97.3	Very high	93.3	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	149.6	-176.8	-64.9	71.3	66.4	0	0	111.1	S299 I301 H308 A392 Q406 F425 P428 A431 W432	S299-M310 VanDerWaalsContact O-CE 3.27Å; S299-M310 WeakPolarHBondContact O-CE 3.47Å; I301-M310 HydrophobicContact CD1-CE 3.68Å; I301-M310 HydrophobicContact CD1-SD 4.15Å; I301-M310 HydrophobicContact CG1-CE 4.29Å; H308-M310 HydrophobicContact CB-SD 4.46Å; M310-A392 CarbonylContact C-O 3.56Å; M310-A392 VanDerWaalsContact CA-O 3.26Å; M310-A392 WeakPolarHBondContact CA-O 3.41Å; M310-Q406 PolarHBondContact O-NE2 2.79Å; M310-F425 HydrophobicContact CB-CD2 4.32Å; M310-F425 HydrophobicContact CB-CE2 3.51Å; M310-F425 HydrophobicContact CB-CZ 3.81Å; M310-P428 HydrophobicContact CE-CB 3.97Å; M310-P428 WeakPolarHBondContact CE-O 3.47Å; M310-A431 HydrophobicContact CE-CB 4.44Å; M310-A431 HydrophobicContact CG-CB 4.41Å; M310-W432 HydrophobicContact CE-CB 4.26Å; M310-W432 HydrophobicContact CG-CB 4.21Å; M310-W432 HydrophobicContact SD-CB 3.78Å; M310-W432 HydrophobicContact SD-CG 4.31Å
311	V	97.4	Very high	93.2	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.006	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	125.2	172.7	-173.2	0	0	0	0	107.4	A392 Q406 K410 L413 T421 T422 T423	V311-A392 PolarHBondContact N-O 3.45Å; V311-A392 PolarHBondContact O-N 3.18Å; V311-Q406 HydrophobicContact CG2-CG 3.91Å; V311-K410 HydrophobicContact CG1-CB 4.28Å; V311-K410 HydrophobicContact CG1-CG 4.25Å; V311-K410 HydrophobicContact CG2-CB 4.13Å; V311-L413 HydrophobicContact CB-CD1 3.9Å; V311-L413 HydrophobicContact CG1-CD1 3.7Å; V311-T421 HydrophobicContact CG1-CG2 4.1Å; V311-T422 WeakPolarHBondContact CA-O 3.42Å; V311-T423 HydrophobicContact CG2-CG2 4.2Å
312	A	97.4	Very high	93.1	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.008	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	143.2	173.9	0	0	0	0	0	110.6	I390 V391 T421 T422 F425 P445	A312-I390 WeakPolarHBondContact CA-O 3.48Å; A312-V391 HydrophobicContact CB-CG1 4.47Å; A312-V391 HydrophobicContact CB-CG2 4.28Å; A312-T421 CarbonylContact O-C 3.43Å; A312-T421 VanDerWaalsContact O-CA 3.28Å; A312-T421 WeakPolarHBondContact O-CA 3.41Å; A312-T422 HydrophobicContact CB-CG2 4.1Å; A312-T422 PolarHBondContact N-O 3.24Å; A312-T422 PolarHBondContact O-N 2.96Å; A312-F425 HydrophobicContact CB-CE1 3.65Å; A312-F425 HydrophobicContact CB-CZ 3.89Å; A312-P445 HydrophobicContact CB-CG 4.38Å
313	I	96.7	Very high	93.2	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.01	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	126.8	174.6	-63.2	-172	0	0	0	108.9	L315 I390 L413 W416 C419 G420 L448	I313-L315 WeakPolarHBondContact CG2-O 3.47Å; I313-I390 HydrophobicContact CB-CB 4.12Å; I313-I390 HydrophobicContact CD1-CB 3.91Å; I313-I390 HydrophobicContact CD1-CD1 3.86Å; I313-I390 HydrophobicContact CD1-CG1 4.48Å; I313-I390 HydrophobicContact CD1-CG2 3.63Å; I313-I390 HydrophobicContact CG1-CB 4.06Å; I313-I390 HydrophobicContact CG1-CG2 3.97Å; I313-I390 PolarHBondContact N-O 3.47Å; I313-I390 VanDerWaalsContact N-O 3.08Å; I313-L413 HydrophobicContact CD1-CD2 4.44Å; I313-W416 HydrophobicContact CD1-CE3 4.26Å; I313-W416 HydrophobicContact CD1-CZ3 4.15Å; I313-C419 HydrophobicContact CG2-CB 4.33Å; I313-G420 CarbonylContact C-O 3.58Å; I313-G420 WeakPolarHBondContact CA-O 3.36Å; I313-L448 HydrophobicContact CG2-CD1 4.02Å
314	T	95.3	Very high	93.4	Very high	56 Å²	56	43.7 Å²	43.7	34%	0.344	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	-29.3	179.3	61	0	0	0	0	112.5	G420 T421 T422 I446	T314-G420 PolarHBondContact N-O 2.96Å; T314-G420 WeakPolarHBondContact OG1-CA 3.27Å; T314-G420 PolarHBondContact OG1-O 3.07Å; T314-T421 PolarHBondContact OG1-N 3.36Å; T314-T422 HydrophobicContact CG2-CG2 3.52Å; T314-I446 HydrophobicContact CG2-CD1 3.29Å
315	L	91.9	Very high	93.8	Very high	80 Å²	80	43.8 Å²	43.8	42%	0.419	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	128.7	177.1	-176.3	78.3	0	0	0	107.8	I313 G420	I313-L315 WeakPolarHBondContact CG2-O 3.47Å; L315-G420 PolarHBondContact N-O 2.87Å; L315-G420 PolarHBondContact O-N 3.03Å; L315-G420 VanDerWaalsContact O-N 3.16Å
316	P	88	Confident	94.2	Very high	55 Å²	55	37.1 Å²	37.1	36%	0.357	19%	0.187	S	C	.	.			trans	-62.9	162.7	178.9	30.6	-34.2	0	0	0	110.8	Q318 L448	P316-Q318 PolarHBondContact O-N 2.57Å; P316-L448 HydrophobicContact CB-CD1 4.32Å
317	P	90.3	Very high	94.3	Very high	16 Å²	16	36.8 Å²	36.8	10%	0.104	19%	0.186	C	C	.	.			trans	-58.2	129.2	176.4	22.2	-31.3	0	0	0	110.6	L320 G417 L458	P317-L320 HydrophobicContact CG-CD2 4.37Å; P317-G417 CarbonylContact C-O 3.54Å; P317-G417 WeakPolarHBondContact CA-O 3.39Å; P317-L458 HydrophobicContact CG-CD1 4.24Å; P317-L458 HydrophobicContact CG-CD2 3.81Å
318	Q	89.3	Confident	94.2	Very high	133 Å²	133	41.8 Å²	41.8	62%	0.621	20%	0.204	S	C	*	.	S	Bend	trans	-72.6	-35.6	173	-61.9	-172.6	10.6	0	0	111.4	P316 G417 V418	P316-Q318 PolarHBondContact O-N 2.57Å; Q318-G417 PolarHBondContact N-O 2.78Å; Q318-V418 HydrophobicContact CB-CB 4.46Å; Q318-V418 HydrophobicContact CG-CB 4.46Å
319	N	89.8	Confident	94.1	Very high	104 Å²	104	44.9 Å²	44.9	56%	0.556	22%	0.221	S	C	*	.	S	Bend	trans	-114	118.1	171.9	-65.2	-47.8	0	0	0	108.5	R321 G417	N319-R321 PolarHBondContact O-N 2.95Å; N319-G417 PolarHBondContact N-O 2.8Å; N319-G417 WeakPolarHBondContact O-CA 3.16Å
320	L	87.6	Confident	94.1	Very high	87 Å²	87	45 Å²	45	46%	0.455	22%	0.222	S	C	.	.			trans	-60	129.1	177.4	-68.2	176	0	0	0	110	P317 H454 L458	P317-L320 HydrophobicContact CG-CD2 4.37Å; L320-H454 HydrophobicContact CD2-CB 4.48Å; L320-L458 HydrophobicContact CD2-CD2 4.39Å
321	R	92.4	Very high	94	Very high	103 Å²	103	47.7 Å²	47.7	39%	0.389	24%	0.24	S	C	.	.			trans	-131	140.2	177	-75.9	-162.6	176.7	-160.7	-1.8	108.4	N319 Q325 W416	N319-R321 PolarHBondContact O-N 2.95Å; R321-Q325 VanDerWaalsContact CD-OE1 3.24Å; R321-W416 PolarHBondContact O-NE1 3.15Å; R321-W416 VanDerWaalsContact O-NE1 3.08Å
322	T	94	Very high	93.8	Very high	16 Å²	16	52.2 Å²	52.2	10%	0.098	26%	0.256	C	S	.	.			trans	-66.3	156.7	179.3	63.9	0	0	0	0	110.9	E77 L87 N324 Q325 W416	E77-T322 HydrophobicContact CB-CG2 3.82Å; E77-T322 HydrophobicContact CG-CG2 3.99Å; E77-T322 PolarHBondContact OE2-OG1 3.29Å; L87-T322 HydrophobicContact CD2-CG2 3.84Å; T322-N324 PolarHBondContact O-N 2.81Å; T322-Q325 WeakPolarHBondContact O-CB 3.43Å; T322-Q325 PolarHBondContact O-N 2.9Å; T322-Q325 VanDerWaalsContact O-N 3.16Å; T322-Q325 WeakPolarHBondContact OG1-CG 3.36Å; T322-W416 PolarHBondContact O-NE1 3.41Å
323	F	96.3	Very high	93.6	Very high	5 Å²	5	56.1 Å²	56.1	2%	0.022	29%	0.289	C	S	.	.	H	α-helix	trans	-62.4	-31.6	176.2	-169.3	-95.7	0	0	0	112.8	F113 Q325 L326 V327 W336 I338 M340 W416 L458 P460 R463	F113-F323 HydrophobicContact CB-CE1 4.49Å; F113-F323 HydrophobicContact CB-CZ 4.06Å; F113-F323 AromaticContact CD1-CE1 3.56Å; F113-F323 HydrophobicContact CD1-CE1 3.56Å; F113-F323 AromaticContact CD1-CZ 3.37Å; F113-F323 HydrophobicContact CD1-CZ 3.37Å; F113-F323 HydrophobicContact CD2-CE1 4.05Å; F113-F323 HydrophobicContact CD2-CZ 4.41Å; F113-F323 AromaticContact CE1-CE1 3.53Å; F113-F323 HydrophobicContact CE1-CE1 3.53Å; F113-F323 AromaticContact CE1-CZ 3.75Å; F113-F323 HydrophobicContact CE1-CZ 3.75Å; F113-F323 HydrophobicContact CE2-CE1 4.07Å; F113-F323 AromaticContact CG-CE1 3.78Å; F113-F323 HydrophobicContact CG-CE1 3.78Å; F113-F323 AromaticContact CG-CZ 3.7Å; F113-F323 HydrophobicContact CG-CZ 3.7Å; F113-F323 AromaticContact CZ-CE1 3.81Å; F113-F323 HydrophobicContact CZ-CE1 3.81Å; F113-F323 HydrophobicContact CZ-CZ 4.45Å; F323-Q325 PolarHBondContact O-N 2.83Å; F323-L326 HydrophobicContact CD2-CD2 4.18Å; F323-L326 HydrophobicContact CE2-CD2 3.83Å; F323-L326 WeakPolarHBondContact O-CB 3.23Å; F323-L326 PolarHBondContact O-N 2.93Å; F323-L326 VanDerWaalsContact O-N 3.14Å; F323-V327 HydrophobicContact CD1-CG2 3.77Å; F323-V327 HydrophobicContact CE1-CG2 3.48Å; F323-V327 VanDerWaalsContact CE1-CG2 3.48Å; F323-V327 HydrophobicContact CZ-CG2 4.3Å; F323-V327 WeakPolarHBondContact O-CG2 3.5Å; F323-V327 PolarHBondContact O-N 2.8Å; F323-W336 HydrophobicContact CE1-CH2 4.39Å; F323-W336 HydrophobicContact CE2-CH2 4.33Å; F323-W336 AromaticContact CZ-CH2 3.7Å; F323-W336 HydrophobicContact CZ-CH2 3.7Å; F323-W336 HydrophobicContact CZ-CZ3 4.28Å; F323-I338 HydrophobicContact CE2-CG2 4.01Å; F323-I338 HydrophobicContact CZ-CG2 3.95Å; F323-M340 HydrophobicContact CD2-CE 3.55Å; F323-M340 HydrophobicContact CE2-CE 3.25Å; F323-M340 HydrophobicContact CZ-CE 4.35Å; F323-W416 HydrophobicContact CD2-CH2 4.28Å; F323-W416 HydrophobicContact CD2-CZ2 4.17Å; F323-L458 WeakPolarHBondContact CD2-O 3.42Å; F323-P460 HydrophobicContact CD1-CB 3.48Å; F323-P460 VanDerWaalsContact CD1-CB 3.48Å; F323-P460 HydrophobicContact CE1-CB 3.65Å; F323-P460 HydrophobicContact CG-CB 3.96Å; F323-P460 HydrophobicContact CZ-CB 4.28Å; F323-R463 HydrophobicContact CD1-CG 4.43Å
324	N	95.2	Very high	93.6	Very high	10 Å²	10	56.3 Å²	56.3	5%	0.053	29%	0.29	C	S	.	.	H	α-helix	trans	-61.2	-31.5	175.7	-83.5	-18.1	0	0	0	112.9	E77 T322 V327 R328 N462 R463	E77-N324 VanDerWaalsContact OE1-CB 3.28Å; E77-N324 WeakPolarHBondContact OE1-CB 3.41Å; E77-N324 PolarHBondContact OE1-ND2 3.06Å; T322-N324 PolarHBondContact O-N 2.81Å; N324-V327 PolarHBondContact O-N 2.99Å; N324-R328 WeakPolarHBondContact O-CG 3.47Å; N324-R328 PolarHBondContact O-N 2.94Å; N324-R328 VanDerWaalsContact O-N 3.12Å; N324-N462 PolarHBondContact ND2-O 3.23Å; N324-R463 WeakPolarHBondContact OD1-CD 3.23Å; N324-R463 PolarHBondContact OD1-NH1 2.83Å
325	Q	95	Very high	93.7	Very high	64 Å²	64	53.7 Å²	53.7	30%	0.299	27%	0.274	S	S	.	.	H	α-helix	trans	-67.4	-44.3	174	-67.5	174.2	4	0	0	111.2	R321 T322 F323 V327 R328 D329	R321-Q325 VanDerWaalsContact CD-OE1 3.24Å; T322-Q325 WeakPolarHBondContact O-CB 3.43Å; T322-Q325 PolarHBondContact O-N 2.9Å; T322-Q325 VanDerWaalsContact O-N 3.16Å; T322-Q325 WeakPolarHBondContact OG1-CG 3.36Å; F323-Q325 PolarHBondContact O-N 2.83Å; Q325-V327 VanDerWaalsContact C-N 3.27Å; Q325-V327 PolarHBondContact O-N 3.36Å; Q325-R328 PolarHBondContact O-N 3.42Å; Q325-R328 VanDerWaalsContact O-N 3.1Å; Q325-D329 VanDerWaalsContact O-CG 3.29Å; Q325-D329 PolarHBondContact O-N 3.16Å
326	L	97	Very high	94	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-56.3	-43.8	173.4	175.5	62.9	0	0	0	111.4	F323 R328 D329 V330 W336 I338 A412 L413 W416	F323-L326 HydrophobicContact CD2-CD2 4.18Å; F323-L326 HydrophobicContact CE2-CD2 3.83Å; F323-L326 WeakPolarHBondContact O-CB 3.23Å; F323-L326 PolarHBondContact O-N 2.93Å; F323-L326 VanDerWaalsContact O-N 3.14Å; L326-R328 VanDerWaalsContact C-N 3.29Å; L326-R328 PolarHBondContact O-N 3.26Å; L326-D329 PolarHBondContact O-N 2.94Å; L326-V330 HydrophobicContact CD1-CG2 4.12Å; L326-V330 WeakPolarHBondContact O-CG2 3.49Å; L326-V330 PolarHBondContact O-N 3.47Å; L326-W336 HydrophobicContact CD2-CH2 4.05Å; L326-W336 HydrophobicContact CD2-CZ3 4.26Å; L326-W336 HydrophobicContact CG-CH2 4.21Å; L326-I338 HydrophobicContact CD2-CD1 4.24Å; L326-A412 HydrophobicContact CD1-CB 4.47Å; L326-L413 HydrophobicContact CD1-CD2 3.88Å; L326-L413 HydrophobicContact CD1-CG 4.39Å; L326-L413 HydrophobicContact CD2-CD2 4Å; L326-W416 HydrophobicContact CB-CB 4.49Å; L326-W416 HydrophobicContact CB-CD2 4.01Å; L326-W416 HydrophobicContact CB-CG 3.87Å; L326-W416 HydrophobicContact CD1-CB 4Å; L326-W416 HydrophobicContact CD1-CD2 4.43Å; L326-W416 HydrophobicContact CD1-CG 4.17Å; L326-W416 HydrophobicContact CD2-CD2 4.01Å; L326-W416 HydrophobicContact CD2-CE3 3.93Å; L326-W416 HydrophobicContact CD2-CH2 4.36Å; L326-W416 HydrophobicContact CD2-CZ2 4.47Å; L326-W416 HydrophobicContact CD2-CZ3 4.11Å; L326-W416 HydrophobicContact CG-CD2 4.37Å; L326-W416 HydrophobicContact CG-CG 4.41Å
327	V	97	Very high	94.5	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.006	24%	0.238	C	C	.	.	H	α-helix	trans	-62.8	-35.5	179	178.1	0	0	0	0	112.4	F113 R115 F323 N324 Q325 W336 D480	F113-V327 HydrophobicContact CE1-CG2 4.01Å; F113-V327 HydrophobicContact CZ-CG2 4.06Å; R115-V327 VanDerWaalsContact CZ-CG1 3.49Å; F323-V327 HydrophobicContact CD1-CG2 3.77Å; F323-V327 HydrophobicContact CE1-CG2 3.48Å; F323-V327 VanDerWaalsContact CE1-CG2 3.48Å; F323-V327 HydrophobicContact CZ-CG2 4.3Å; F323-V327 WeakPolarHBondContact O-CG2 3.5Å; F323-V327 PolarHBondContact O-N 2.8Å; N324-V327 PolarHBondContact O-N 2.99Å; Q325-V327 VanDerWaalsContact C-N 3.27Å; Q325-V327 PolarHBondContact O-N 3.36Å; V327-W336 HydrophobicContact CG2-CH2 4.4Å; V327-W336 HydrophobicContact CG2-CZ2 4.14Å; V327-D480 WeakPolarHBondContact CG1-OD2 3.48Å
328	R	94.7	Very high	94.9	Very high	137 Å²	137	46.8 Å²	46.8	52%	0.517	23%	0.233	S	C	.	.	H	α-helix	trans	-72.2	-34.9	175.3	-70.7	175.1	-171.6	158.8	7	112.5	N324 Q325 L326	N324-R328 WeakPolarHBondContact O-CG 3.47Å; N324-R328 PolarHBondContact O-N 2.94Å; N324-R328 VanDerWaalsContact O-N 3.12Å; Q325-R328 PolarHBondContact O-N 3.42Å; Q325-R328 VanDerWaalsContact O-N 3.1Å; L326-R328 VanDerWaalsContact C-N 3.29Å; L326-R328 PolarHBondContact O-N 3.26Å
329	D	95.8	Very high	95.3	Very high	71 Å²	71	40.5 Å²	40.5	38%	0.38	20%	0.203	S	C	.	.	H	α-helix	trans	-75.6	-28.3	-178.1	-69.2	-17.5	0	0	0	112.4	Q325 L326 P331 A412	Q325-D329 VanDerWaalsContact O-CG 3.29Å; Q325-D329 PolarHBondContact O-N 3.16Å; L326-D329 PolarHBondContact O-N 2.94Å; D329-P331 WeakPolarHBondContact O-CD 3.37Å; D329-A412 HydrophobicContact CB-CB 4.28Å
330	V	97.3	Very high	95.6	Very high	4 Å²	4	35.6 Å²	35.6	2%	0.024	18%	0.177	C	C	.	.	S	Bend	trans	-77.4	121.8	173.7	-179.6	0	0	0	0	110.2	L326 R332 I334 W336 L409 A412	L326-V330 HydrophobicContact CD1-CG2 4.12Å; L326-V330 WeakPolarHBondContact O-CG2 3.49Å; L326-V330 PolarHBondContact O-N 3.47Å; V330-R332 PolarHBondContact O-N 2.56Å; V330-I334 HydrophobicContact CG1-CB 4.26Å; V330-W336 HydrophobicContact CG1-CG 4.32Å; V330-W336 HydrophobicContact CG2-CZ2 4.33Å; V330-L409 HydrophobicContact CG2-CD1 3.95Å; V330-A412 HydrophobicContact CB-CB 4.44Å; V330-A412 HydrophobicContact CG2-CB 3.58Å
331	P	95.6	Very high	96.1	Very high	56 Å²	56	31.5 Å²	31.5	36%	0.364	16%	0.156	S	C	.	.			trans	-54.6	132.6	177	-26.5	32.7	0	0	0	113	D329 A333 I334	D329-P331 WeakPolarHBondContact O-CD 3.37Å; P331-A333 PolarHBondContact O-N 3.03Å; P331-I334 HydrophobicContact CB-CD1 3.96Å; P331-I334 HydrophobicContact CB-CG1 4.14Å; P331-I334 HydrophobicContact CG-CD1 3.85Å; P331-I334 WeakPolarHBondContact O-CB 3.5Å; P331-I334 PolarHBondContact O-N 3.08Å
332	R	93.4	Very high	96.3	Very high	95 Å²	95	26.6 Å²	26.6	36%	0.358	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-33.4	-175.3	-168.8	176.5	74.1	-157.5	8.1	114.4	P117 P155 W156 V158 V330 I334	P117-R332 WeakPolarHBondContact CB-O 3.5Å; P117-R332 WeakPolarHBondContact CG-O 3.32Å; P155-R332 PolarHBondContact O-NH2 3.02Å; W156-R332 VanDerWaalsContact CE3-NH1 3.25Å; V158-R332 HydrophobicContact CG2-CG 3.54Å; V330-R332 PolarHBondContact O-N 2.56Å; R332-I334 PolarHBondContact O-N 2.77Å
333	A	93.1	Very high	96.3	Very high	83 Å²	83	27.4 Å²	27.4	69%	0.686	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-7.8	-178.5	0	0	0	0	0	114.1	P331 P335	P331-A333 PolarHBondContact O-N 3.03Å; A333-P335 WeakPolarHBondContact O-CD 3.24Å
334	I	97	Very high	96.1	Very high	6 Å²	6	27.5 Å²	27.5	3%	0.031	14%	0.141	C	C	.	.			trans	-91.2	120.9	-178.8	-60.9	179	0	0	0	109.3	V330 P331 R332 T394 N405 L408	V330-I334 HydrophobicContact CG1-CB 4.26Å; P331-I334 HydrophobicContact CB-CD1 3.96Å; P331-I334 HydrophobicContact CB-CG1 4.14Å; P331-I334 HydrophobicContact CG-CD1 3.85Å; P331-I334 WeakPolarHBondContact O-CB 3.5Å; P331-I334 PolarHBondContact O-N 3.08Å; R332-I334 PolarHBondContact O-N 2.77Å; I334-T394 WeakPolarHBondContact CG2-OG1 3.17Å; I334-N405 HydrophobicContact CG2-CB 4.05Å; I334-L408 HydrophobicContact CD1-CB 3.35Å; I334-L408 HydrophobicContact CD1-CD1 3.64Å; I334-L408 HydrophobicContact CD1-CG 4.13Å
335	P	97.6	Very high	95.8	Very high	1 Å²	1	29 Å²	29	1%	0.006	15%	0.149	C	C	.	.			trans	-76.6	133.3	167.8	32.5	-33.9	0	0	0	109.9	R115 A333 T394 W395	R115-P335 CarbonylContact O-C 3.49Å; R115-P335 WeakPolarHBondContact O-CA 3.32Å; A333-P335 WeakPolarHBondContact O-CD 3.24Å; P335-T394 WeakPolarHBondContact O-CA 3.27Å; P335-T394 VanDerWaalsContact O-CB 3.28Å; P335-T394 WeakPolarHBondContact O-CB 3.43Å; P335-T394 PolarHBondContact O-OG1 3.47Å; P335-W395 HydrophobicContact CB-CD2 4.15Å; P335-W395 VanDerWaalsContact CB-CE2 3.48Å; P335-W395 HydrophobicContact CB-CH2 4.37Å; P335-W395 HydrophobicContact CB-CZ2 3.63Å; P335-W395 HydrophobicContact CG-CD2 4.29Å; P335-W395 HydrophobicContact CG-CG 4.21Å; P335-W395 WeakPolarHBondContact CG-O 3.3Å
336	W	98.2	Very high	95.5	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.008	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	155.8	179.7	65.9	-75.3	0	0	0	112.5	F113 E114 R115 F323 L326 V327 V330 I338 T393 L409	F113-W336 AromaticContact CD1-CH2 3.8Å; F113-W336 HydrophobicContact CD1-CH2 3.8Å; F113-W336 HydrophobicContact CD1-CZ2 4.14Å; F113-W336 HydrophobicContact CD1-CZ3 4.2Å; F113-W336 AromaticContact CE1-CH2 3.76Å; F113-W336 HydrophobicContact CE1-CH2 3.76Å; F113-W336 AromaticContact CE1-CZ2 3.68Å; F113-W336 HydrophobicContact CE1-CZ2 3.68Å; E114-W336 WeakPolarHBondContact CA-O 3.35Å; R115-W336 HydrophobicContact CG-CZ2 4.31Å; R115-W336 PolarHBondContact N-O 3.02Å; R115-W336 PolarHBondContact O-N 3.42Å; F323-W336 HydrophobicContact CE1-CH2 4.39Å; F323-W336 HydrophobicContact CE2-CH2 4.33Å; F323-W336 AromaticContact CZ-CH2 3.7Å; F323-W336 HydrophobicContact CZ-CH2 3.7Å; F323-W336 HydrophobicContact CZ-CZ3 4.28Å; L326-W336 HydrophobicContact CD2-CH2 4.05Å; L326-W336 HydrophobicContact CD2-CZ3 4.26Å; L326-W336 HydrophobicContact CG-CH2 4.21Å; V327-W336 HydrophobicContact CG2-CH2 4.4Å; V327-W336 HydrophobicContact CG2-CZ2 4.14Å; V330-W336 HydrophobicContact CG1-CG 4.32Å; V330-W336 HydrophobicContact CG2-CZ2 4.33Å; W336-I338 HydrophobicContact CE3-CB 4.11Å; W336-I338 HydrophobicContact CE3-CG2 4.2Å; W336-I338 HydrophobicContact CH2-CG2 4.29Å; W336-I338 HydrophobicContact CZ3-CB 3.75Å; W336-I338 HydrophobicContact CZ3-CD1 4.37Å; W336-I338 HydrophobicContact CZ3-CG2 3.48Å; W336-I338 VanDerWaalsContact CZ3-CG2 3.48Å; W336-T393 CarbonylContact C-O 3.53Å; W336-T393 VanDerWaalsContact CA-O 3.24Å; W336-T393 WeakPolarHBondContact CA-O 3.29Å; W336-L409 HydrophobicContact CB-CD1 4.25Å; W336-L409 HydrophobicContact CB-CD2 4.04Å; W336-L409 HydrophobicContact CD2-CD1 4.26Å; W336-L409 HydrophobicContact CE3-CD1 4.19Å; W336-L409 HydrophobicContact CG-CD1 4.3Å
337	R	98.1	Very high	95.2	Very high	3 Å²	3	26.8 Å²	26.8	1%	0.011	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	143.1	173	-178.9	171.8	62.9	-125.2	3.2	109.4	V112 F113 E114 Q248 A392 T393 W395 T435	V112-R337 HydrophobicContact CG1-CG 3.88Å; F113-R337 CarbonylContact O-C 3.58Å; F113-R337 VanDerWaalsContact O-CA 3.22Å; F113-R337 WeakPolarHBondContact O-CA 3.36Å; F113-R337 WeakPolarHBondContact O-CG 3.38Å; E114-R337 HydrophobicContact CB-CB 4.21Å; E114-R337 HydrophobicContact CB-CG 4.1Å; E114-R337 HydrophobicContact CG-CB 4.14Å; E114-R337 HydrophobicContact CG-CG 4.46Å; E114-R337 WeakPolarHBondContact OE2-CD 3.39Å; E114-R337 IonicContact OE2-CZ 3.18Å; E114-R337 IonicContact OE2-NH1 3.33Å; E114-R337 PolarHBondContact OE2-NH1 3.4Å; Q248-R337 VanDerWaalsContact CB-NH1 3.33Å; Q248-R337 VanDerWaalsContact CG-NH1 3.31Å; R337-A392 CarbonylContact O-C 3.58Å; R337-A392 WeakPolarHBondContact O-CA 3.29Å; R337-A392 WeakPolarHBondContact O-CB 3.48Å; R337-T393 HydrophobicContact CB-CG2 4Å; R337-T393 PolarHBondContact N-O 3.33Å; R337-T393 PolarHBondContact O-N 3.46Å; R337-W395 HydrophobicContact CB-CH2 4.28Å; R337-W395 HydrophobicContact CB-CZ3 3.97Å; R337-T435 VanDerWaalsContact CD-O 3.26Å; R337-T435 WeakPolarHBondContact CD-O 3.38Å; R337-T435 PolarHBondContact NE-O 2.93Å; R337-T435 PolarHBondContact NH2-OG1 2.9Å; R337-T435 VanDerWaalsContact NH2-OG1 3.1Å
338	I	98	Very high	94.7	Very high	1 Å²	1	33 Å²	33	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	137.2	175.3	-170	162.5	0	0	0	109.5	V112 F113 F323 L326 W336 M340 I390 A392 L413	V112-I338 CarbonylContact C-O 3.46Å; V112-I338 WeakPolarHBondContact CA-O 3.48Å; F113-I338 HydrophobicContact CB-CG2 3.86Å; F113-I338 HydrophobicContact CD1-CG2 4.25Å; F113-I338 PolarHBondContact N-O 3.5Å; F113-I338 PolarHBondContact O-N 2.8Å; F323-I338 HydrophobicContact CE2-CG2 4.01Å; F323-I338 HydrophobicContact CZ-CG2 3.95Å; L326-I338 HydrophobicContact CD2-CD1 4.24Å; W336-I338 HydrophobicContact CE3-CB 4.11Å; W336-I338 HydrophobicContact CE3-CG2 4.2Å; W336-I338 HydrophobicContact CH2-CG2 4.29Å; W336-I338 HydrophobicContact CZ3-CB 3.75Å; W336-I338 HydrophobicContact CZ3-CD1 4.37Å; W336-I338 HydrophobicContact CZ3-CG2 3.48Å; W336-I338 VanDerWaalsContact CZ3-CG2 3.48Å; I338-M340 HydrophobicContact CD1-CE 3.88Å; I338-M340 HydrophobicContact CG1-CE 4.16Å; I338-M340 HydrophobicContact CG1-CG 4.33Å; I338-M340 HydrophobicContact CG2-CE 4.13Å; I338-I390 HydrophobicContact CD1-CG2 3.64Å; I338-I390 HydrophobicContact CG1-CG2 3.87Å; I338-A392 HydrophobicContact CB-CB 4.16Å; I338-A392 HydrophobicContact CD1-CB 4.34Å; I338-A392 HydrophobicContact CG1-CB 4.09Å; I338-L413 HydrophobicContact CD1-CD2 4.12Å
339	R	97.7	Very high	94.3	Very high	1 Å²	1	28.8 Å²	28.8	0%	0.004	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	130.2	170.8	174.2	162	155	-152.5	-12.2	109.3	F111 V112 D341 I390 V391 N434 S440 S442	F111-R339 CarbonylContact O-C 3.59Å; F111-R339 VanDerWaalsContact O-CA 3.3Å; F111-R339 WeakPolarHBondContact O-CA 3.23Å; V112-R339 HydrophobicContact CG2-CB 4Å; V112-R339 HydrophobicContact CG2-CG 3.85Å; R339-D341 IonicContact CZ-OD1 3.05Å; R339-D341 IonicContact CZ-OD2 3.42Å; R339-D341 IonicContact NE-OD1 3.26Å; R339-D341 PolarHBondContact NE-OD1 3.01Å; R339-D341 IonicContact NE-OD2 2.67Å; R339-D341 PolarHBondContact NE-OD2 2.93Å; R339-D341 VanDerWaalsContact NH2-CG 3.27Å; R339-D341 IonicContact NH2-OD1 3.35Å; R339-D341 PolarHBondContact NH2-OD1 3.03Å; R339-D341 IonicContact NH2-OD2 2.83Å; R339-D341 PolarHBondContact NH2-OD2 3.31Å; R339-I390 WeakPolarHBondContact O-CA 3.36Å; R339-V391 PolarHBondContact N-O 2.86Å; R339-V391 PolarHBondContact O-N 2.97Å; R339-N434 WeakPolarHBondContact CB-O 3.19Å; R339-N434 WeakPolarHBondContact CD-O 3.45Å; R339-S440 PolarHBondContact NH1-O 2.72Å; R339-S440 PolarHBondContact NH2-O 2.62Å; R339-S442 PolarHBondContact NH2-O 3.29Å
340	M	97.3	Very high	93.8	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	108.2	176.8	-54	-177.5	-153.6	0	0	108.6	S110 F111 F323 I338 M388 T389 I390 W416 L458 F459	S110-M340 CarbonylContact C-O 3.55Å; S110-M340 WeakPolarHBondContact CA-O 3.44Å; F111-M340 PolarHBondContact N-O 2.62Å; F111-M340 PolarHBondContact O-N 3.23Å; F323-M340 HydrophobicContact CD2-CE 3.55Å; F323-M340 HydrophobicContact CE2-CE 3.25Å; F323-M340 HydrophobicContact CZ-CE 4.35Å; I338-M340 HydrophobicContact CD1-CE 3.88Å; I338-M340 HydrophobicContact CG1-CE 4.16Å; I338-M340 HydrophobicContact CG1-CG 4.33Å; I338-M340 HydrophobicContact CG2-CE 4.13Å; M340-M388 HydrophobicContact CB-CE 4.41Å; M340-T389 WeakPolarHBondContact CA-O 3.4Å; M340-I390 HydrophobicContact CB-CG1 4.39Å; M340-I390 HydrophobicContact CG-CG1 4.06Å; M340-I390 HydrophobicContact CG-CG2 4.15Å; M340-W416 HydrophobicContact CE-CH2 4.15Å; M340-L458 HydrophobicContact SD-CB 4.49Å; M340-F459 HydrophobicContact CB-CD1 4.2Å; M340-F459 HydrophobicContact CB-CE1 3.75Å; M340-F459 HydrophobicContact SD-CD1 3.81Å; M340-F459 HydrophobicContact SD-CE1 4.24Å
341	D	97.3	Very high	93.1	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	136.6	174.4	-65.6	-56.6	0	0	0	109.8	K108 I109 S110 R339 M388 T389 S443	K108-D341 HydrophobicContact CD-CB 4.43Å; K108-D341 IonicContact NZ-OD1 3.24Å; I109-D341 WeakPolarHBondContact O-CA 3.46Å; S110-D341 WeakPolarHBondContact CB-OD1 3.3Å; S110-D341 PolarHBondContact OG-OD1 3.26Å; R339-D341 IonicContact CZ-OD1 3.05Å; R339-D341 IonicContact CZ-OD2 3.42Å; R339-D341 IonicContact NE-OD1 3.26Å; R339-D341 PolarHBondContact NE-OD1 3.01Å; R339-D341 IonicContact NE-OD2 2.67Å; R339-D341 PolarHBondContact NE-OD2 2.93Å; R339-D341 VanDerWaalsContact NH2-CG 3.27Å; R339-D341 IonicContact NH2-OD1 3.35Å; R339-D341 PolarHBondContact NH2-OD1 3.03Å; R339-D341 IonicContact NH2-OD2 2.83Å; R339-D341 PolarHBondContact NH2-OD2 3.31Å; D341-M388 CarbonylContact O-C 3.55Å; D341-M388 WeakPolarHBondContact O-CA 3.33Å; D341-M388 WeakPolarHBondContact O-CG 3.38Å; D341-T389 WeakPolarHBondContact CB-OG1 3.2Å; D341-T389 PolarHBondContact N-O 3.45Å; D341-T389 PolarHBondContact O-N 2.76Å; D341-T389 PolarHBondContact OD2-OG1 2.82Å; D341-S443 VanDerWaalsContact OD2-CA 3.26Å; D341-S443 WeakPolarHBondContact OD2-CA 3.45Å; D341-S443 WeakPolarHBondContact OD2-CB 3.25Å
342	L	96	Very high	92.3	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	122.8	175.3	-175.2	67.7	0	0	0	110	I109 C386 I387 M388 L452 A455 F459	I109-L342 HydrophobicContact CD1-CD2 4.17Å; I109-L342 HydrophobicContact CG1-CB 3.9Å; I109-L342 HydrophobicContact CG1-CD2 4.39Å; I109-L342 PolarHBondContact N-O 3.4Å; I109-L342 PolarHBondContact O-N 3.29Å; L342-C386 HydrophobicContact CD1-CB 3.42Å; L342-C386 VanDerWaalsContact CD1-CB 3.42Å; L342-C386 HydrophobicContact CG-CB 4.35Å; L342-I387 WeakPolarHBondContact CA-O 3.46Å; L342-M388 HydrophobicContact CD1-CB 4.25Å; L342-L452 HydrophobicContact CD2-CD1 3.76Å; L342-A455 HydrophobicContact CD1-CB 3.56Å; L342-A455 HydrophobicContact CD2-CB 4.21Å; L342-F459 HydrophobicContact CB-CZ 3.91Å; L342-F459 HydrophobicContact CD2-CE2 4.04Å; L342-F459 HydrophobicContact CD2-CZ 3.99Å
343	M	94.8	Very high	91.7	Very high	34 Å²	34	30.3 Å²	30.3	17%	0.167	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	149.4	-178.4	-61.4	162.6	-65.8	0	0	109.8	K108 C386 I387 S443	K108-M343 HydrophobicContact CB-CG 3.89Å; K108-M343 HydrophobicContact CD-CG 3.66Å; K108-M343 HydrophobicContact CD-SD 3.88Å; K108-M343 HydrophobicContact CG-CG 3.48Å; K108-M343 VanDerWaalsContact CG-CG 3.48Å; K108-M343 HydrophobicContact CG-SD 4.38Å; M343-C386 CarbonylContact O-C 3.53Å; M343-C386 WeakPolarHBondContact O-CA 3.46Å; M343-C386 WeakPolarHBondContact O-CB 3.41Å; M343-I387 HydrophobicContact CB-CB 4.22Å; M343-I387 HydrophobicContact CE-CB 3.82Å; M343-I387 HydrophobicContact CE-CG2 3.55Å; M343-I387 PolarHBondContact N-O 2.83Å; M343-I387 PolarHBondContact O-N 3.18Å; M343-S443 WeakPolarHBondContact CE-OG 3.26Å; M343-S443 PolarHBondContact SD-OG 2.79Å
344	P	92.6	Very high	91	Very high	6 Å²	6	29 Å²	29	4%	0.039	16%	0.156	C	C	.	.	S	Bend	trans	-69	179.5	174.3	31.5	-37.5	0	0	0	112.1	W102 N104 H107 G346	W102-P344 WeakPolarHBondContact O-CB 3.34Å; N104-P344 WeakPolarHBondContact O-CB 3.06Å; N104-P344 WeakPolarHBondContact O-CG 3.37Å; H107-P344 WeakPolarHBondContact O-CD 3.28Å; P344-G346 PolarHBondContact O-N 3.09Å
345	D	88	Confident	90.2	Very high	41 Å²	41	32.5 Å²	32.5	22%	0.219	18%	0.177	C	C	.	.			trans	64.4	36.2	165.4	-91.9	-28.4	0	0	0	115.7	S105 M347 K348 A349	S105-D345 WeakPolarHBondContact CB-OD2 3.45Å; S105-D345 PolarHBondContact N-OD2 2.95Å; S105-D345 PolarHBondContact OG-OD2 3.4Å; D345-M347 VanDerWaalsContact C-N 3.3Å; D345-M347 PolarHBondContact O-N 2.85Å; D345-K348 HydrophobicContact CB-CB 3.98Å; D345-K348 HydrophobicContact CB-CD 4.16Å; D345-K348 WeakPolarHBondContact O-CB 3.1Å; D345-K348 PolarHBondContact O-N 2.98Å; D345-K348 IonicContact OD2-NZ 3.93Å; D345-A349 PolarHBondContact O-N 3.07Å
346	G	89.9	Confident	89.5	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-57.7	-39.5	175.5	0	0	0	0	0	113.5	P344 K348 A349 L350 V385	P344-G346 PolarHBondContact O-N 3.09Å; G346-K348 VanDerWaalsContact C-N 3.32Å; G346-K348 PolarHBondContact O-N 3.15Å; G346-A349 PolarHBondContact O-N 2.71Å; G346-L350 WeakPolarHBondContact O-CG 3.37Å; G346-L350 PolarHBondContact O-N 3.4Å; G346-V385 VanDerWaalsContact CA-O 3.29Å; G346-V385 WeakPolarHBondContact CA-O 3.5Å; G346-V385 PolarHBondContact N-O 2.87Å
347	M	89.1	Confident	88.6	Confident	19 Å²	19	38.6 Å²	38.6	9%	0.094	21%	0.209	C	C	.	.	H	α-helix	trans	-65.1	-33.8	174.9	-73.4	-49.3	-57.1	0	0	113.5	D345 L350 G351 K354 V373 L376 N377 N380 V385	D345-M347 VanDerWaalsContact C-N 3.3Å; D345-M347 PolarHBondContact O-N 2.85Å; M347-L350 CarbonylContact O-C 3.55Å; M347-L350 PolarHBondContact O-N 3.09Å; M347-L350 HydrophobicContact SD-CD1 4.31Å; M347-G351 PolarHBondContact O-N 3.24Å; M347-K354 HydrophobicContact CE-CD 4.29Å; M347-V373 HydrophobicContact CE-CG1 4.5Å; M347-L376 HydrophobicContact SD-CB 3.93Å; M347-N377 HydrophobicContact CE-CB 3.55Å; M347-N377 HydrophobicContact SD-CB 4.39Å; M347-N380 HydrophobicContact CG-CB 3.65Å; M347-N380 VanDerWaalsContact CG-CG 3.41Å; M347-N380 HydrophobicContact SD-CB 4.48Å; M347-V385 HydrophobicContact CG-CB 4.03Å; M347-V385 HydrophobicContact CG-CG2 4.39Å; M347-V385 HydrophobicContact SD-CB 4.25Å; M347-V385 HydrophobicContact SD-CG1 4.31Å; M347-V385 HydrophobicContact SD-CG2 4.28Å
348	K	86.9	Confident	87.7	Confident	132 Å²	132	41.4 Å²	41.4	57%	0.574	23%	0.226	S	C	*	.	H	α-helix	trans	-69.5	-41.7	176.4	-176.6	-175.6	173.7	-172.5	0	110.5	S105 D345 G346 L350 G351	S105-K348 PolarHBondContact OG-NZ 3.39Å; D345-K348 HydrophobicContact CB-CB 3.98Å; D345-K348 HydrophobicContact CB-CD 4.16Å; D345-K348 WeakPolarHBondContact O-CB 3.1Å; D345-K348 PolarHBondContact O-N 2.98Å; D345-K348 IonicContact OD2-NZ 3.93Å; G346-K348 VanDerWaalsContact C-N 3.32Å; G346-K348 PolarHBondContact O-N 3.15Å; K348-L350 VanDerWaalsContact C-N 3.3Å; K348-L350 PolarHBondContact O-N 2.91Å; K348-G351 PolarHBondContact O-N 3.3Å
349	A	86.3	Confident	86.9	Confident	48 Å²	48	50 Å²	50	40%	0.397	26%	0.26	S	S	.	.	H	α-helix	trans	-63.4	-35.3	172.7	0	0	0	0	0	112.6	D345 G346 G351 I387 Y449	D345-A349 PolarHBondContact O-N 3.07Å; G346-A349 PolarHBondContact O-N 2.71Å; A349-G351 PolarHBondContact O-N 3.03Å; A349-I387 HydrophobicContact CB-CD1 3.56Å; A349-I387 HydrophobicContact CB-CG1 4.13Å; A349-Y449 HydrophobicContact CB-CE1 3.96Å
350	L	85.8	Confident	86.1	Confident	7 Å²	7	51 Å²	51	4%	0.037	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-7.1	170.5	-70.3	175.4	0	0	0	113.7	G346 M347 K348 V352 K353 K354 L376 Y449	G346-L350 WeakPolarHBondContact O-CG 3.37Å; G346-L350 PolarHBondContact O-N 3.4Å; M347-L350 CarbonylContact O-C 3.55Å; M347-L350 PolarHBondContact O-N 3.09Å; M347-L350 HydrophobicContact SD-CD1 4.31Å; K348-L350 VanDerWaalsContact C-N 3.3Å; K348-L350 PolarHBondContact O-N 2.91Å; L350-V352 PolarHBondContact O-N 2.94Å; L350-K353 HydrophobicContact CD2-CD 4.08Å; L350-K353 CarbonylContact O-C 3.53Å; L350-K353 WeakPolarHBondContact O-CA 3.29Å; L350-K353 WeakPolarHBondContact O-CB 3.26Å; L350-K353 PolarHBondContact O-N 3.41Å; L350-K354 WeakPolarHBondContact O-CB 3.43Å; L350-K354 PolarHBondContact O-N 2.85Å; L350-L376 HydrophobicContact CD1-CD1 3.83Å; L350-Y449 HydrophobicContact CD1-CD1 3.9Å; L350-Y449 HydrophobicContact CD1-CD2 4.38Å; L350-Y449 HydrophobicContact CD1-CE1 4.47Å; L350-Y449 HydrophobicContact CD1-CG 3.84Å; L350-Y449 HydrophobicContact CD2-CD1 4.06Å; L350-Y449 HydrophobicContact CD2-CD2 3.85Å; L350-Y449 HydrophobicContact CD2-CE1 3.88Å; L350-Y449 HydrophobicContact CD2-CE2 3.7Å; L350-Y449 HydrophobicContact CD2-CG 4.03Å; L350-Y449 HydrophobicContact CG-CD1 3.66Å; L350-Y449 HydrophobicContact CG-CD2 4.29Å; L350-Y449 HydrophobicContact CG-CE1 3.73Å; L350-Y449 HydrophobicContact CG-CE2 4.39Å; L350-Y449 HydrophobicContact CG-CG 3.95Å
351	G	82	Confident	85	Confident	24 Å²	24	52.3 Å²	52.3	25%	0.247	28%	0.276	C	S	.	.	H	α-helix	trans	-55.2	-46.7	-170.5	0	0	0	0	0	113.9	M347 K348 A349 K353 K354 T355	M347-G351 PolarHBondContact O-N 3.24Å; K348-G351 PolarHBondContact O-N 3.3Å; A349-G351 PolarHBondContact O-N 3.03Å; G351-K353 VanDerWaalsContact C-N 3.35Å; G351-K353 PolarHBondContact O-N 2.87Å; G351-K354 WeakPolarHBondContact O-CB 3.31Å; G351-K354 PolarHBondContact O-N 3.12Å; G351-T355 PolarHBondContact O-N 3.22Å; G351-T355 PolarHBondContact O-OG1 3.26Å; G351-T355 VanDerWaalsContact O-OG1 3.13Å
352	V	79.9	Confident	84.2	Confident	109 Å²	109	59.9 Å²	59.9	66%	0.661	31%	0.31	S	S	*	.	H	α-helix	trans	-62.5	-42.9	177.2	178.6	0	0	0	0	111.1	L350 T355 L356	L350-V352 PolarHBondContact O-N 2.94Å; V352-T355 PolarHBondContact O-N 2.67Å; V352-L356 HydrophobicContact CG1-CD1 4.07Å; V352-L356 WeakPolarHBondContact O-CG 3.25Å; V352-L356 PolarHBondContact O-N 2.7Å
353	K	79.3	Confident	83.5	Confident	117 Å²	117	63 Å²	63	51%	0.509	33%	0.326	S	S	.	.	H	α-helix	trans	-64.6	-42.8	176.4	-68.6	-175.5	178.9	-179	0	111.1	L350 G351 L356 L357	L350-K353 HydrophobicContact CD2-CD 4.08Å; L350-K353 CarbonylContact O-C 3.53Å; L350-K353 WeakPolarHBondContact O-CA 3.29Å; L350-K353 WeakPolarHBondContact O-CB 3.26Å; L350-K353 PolarHBondContact O-N 3.41Å; G351-K353 VanDerWaalsContact C-N 3.35Å; G351-K353 PolarHBondContact O-N 2.87Å; K353-L356 PolarHBondContact O-N 3.47Å; K353-L357 WeakPolarHBondContact O-CB 3.43Å; K353-L357 WeakPolarHBondContact O-CD1 3.42Å; K353-L357 WeakPolarHBondContact O-CG 3.45Å; K353-L357 PolarHBondContact O-N 3.31Å
354	K	79.3	Confident	82.8	Confident	57 Å²	57	66.3 Å²	66.3	25%	0.248	35%	0.35	C	S	.	.	H	α-helix	trans	-57.5	-51.9	176.6	-174.6	-180	176	-175	0	110.6	M347 L350 G351 L356 L357 T358 V373 M374 N377	M347-K354 HydrophobicContact CE-CD 4.29Å; L350-K354 WeakPolarHBondContact O-CB 3.43Å; L350-K354 PolarHBondContact O-N 2.85Å; G351-K354 WeakPolarHBondContact O-CB 3.31Å; G351-K354 PolarHBondContact O-N 3.12Å; K354-L356 PolarHBondContact O-N 2.94Å; K354-L357 PolarHBondContact O-N 3.41Å; K354-T358 PolarHBondContact O-N 3.4Å; K354-T358 PolarHBondContact O-OG1 3.15Å; K354-V373 HydrophobicContact CB-CG1 3.79Å; K354-V373 HydrophobicContact CD-CG1 4.41Å; K354-V373 HydrophobicContact CG-CG1 3.87Å; K354-M374 HydrophobicContact CD-CE 3.99Å; K354-M374 HydrophobicContact CG-CE 3.6Å; K354-N377 VanDerWaalsContact NZ-CG 3.3Å; K354-N377 PolarHBondContact NZ-OD1 3.27Å
355	T	80.9	Confident	82.3	Confident	79 Å²	79	71 Å²	71	49%	0.485	38%	0.38	S	S	.	.	H	α-helix	trans	-58.6	-49.1	178.8	-58.3	0	0	0	0	111.6	G351 V352 T358 Y359	G351-T355 PolarHBondContact O-N 3.22Å; G351-T355 PolarHBondContact O-OG1 3.26Å; G351-T355 VanDerWaalsContact O-OG1 3.13Å; V352-T355 PolarHBondContact O-N 2.67Å; T355-T358 PolarHBondContact O-N 2.82Å; T355-Y359 HydrophobicContact CG2-CD2 4.08Å; T355-Y359 HydrophobicContact CG2-CE2 3.73Å; T355-Y359 WeakPolarHBondContact O-CD2 3.41Å; T355-Y359 PolarHBondContact O-N 3.42Å
356	L	81.3	Confident	82	Confident	112 Å²	112	71.4 Å²	71.4	59%	0.586	38%	0.382	S	S	*	.	H	α-helix	trans	-60.5	-46.8	177.9	-72.6	170	0	0	0	111.9	V352 K353 K354 T358 Y359 S360	V352-L356 HydrophobicContact CG1-CD1 4.07Å; V352-L356 WeakPolarHBondContact O-CG 3.25Å; V352-L356 PolarHBondContact O-N 2.7Å; K353-L356 PolarHBondContact O-N 3.47Å; K354-L356 PolarHBondContact O-N 2.94Å; L356-T358 VanDerWaalsContact C-N 3.34Å; L356-T358 PolarHBondContact O-N 2.86Å; L356-Y359 PolarHBondContact O-N 3.46Å; L356-S360 WeakPolarHBondContact O-CB 3.47Å; L356-S360 PolarHBondContact O-N 3.28Å; L356-S360 PolarHBondContact O-OG 3.44Å; L356-S360 VanDerWaalsContact O-OG 3.11Å
357	L	80.4	Confident	81.6	Confident	19 Å²	19	76.6 Å²	76.6	10%	0.099	40%	0.402	C	S	.	.	H	α-helix	trans	-65.8	-33.5	-179.7	-72.5	169.2	0	0	0	112.6	K353 K354 S360 S361 L366 M369 Y370 V373	K353-L357 WeakPolarHBondContact O-CB 3.43Å; K353-L357 WeakPolarHBondContact O-CD1 3.42Å; K353-L357 WeakPolarHBondContact O-CG 3.45Å; K353-L357 PolarHBondContact O-N 3.31Å; K354-L357 PolarHBondContact O-N 3.41Å; L357-S360 WeakPolarHBondContact CA-OG 3.44Å; L357-S360 CarbonylContact O-C 3.55Å; L357-S360 PolarHBondContact O-N 3.12Å; L357-S361 WeakPolarHBondContact O-CA 3.43Å; L357-S361 VanDerWaalsContact O-CB 3.27Å; L357-S361 WeakPolarHBondContact O-CB 3.34Å; L357-S361 PolarHBondContact O-N 2.84Å; L357-L366 HydrophobicContact CD2-CB 4.29Å; L357-M369 HydrophobicContact CD1-CB 4.12Å; L357-M369 HydrophobicContact CD2-CB 3.89Å; L357-Y370 HydrophobicContact CB-CD2 4.02Å; L357-Y370 WeakPolarHBondContact O-CD2 3.26Å; L357-V373 HydrophobicContact CD1-CB 4.48Å; L357-V373 HydrophobicContact CD1-CG2 3.82Å
358	T	80	Confident	81.5	Confident	61 Å²	61	79.5 Å²	79.5	37%	0.374	42%	0.422	S	S	.	.	H	α-helix	trans	-60.9	-48.4	173.3	-61.1	0	0	0	0	110.7	K354 T355 L356 S360 S361 Y370	K354-T358 PolarHBondContact O-N 3.4Å; K354-T358 PolarHBondContact O-OG1 3.15Å; T355-T358 PolarHBondContact O-N 2.82Å; L356-T358 VanDerWaalsContact C-N 3.34Å; L356-T358 PolarHBondContact O-N 2.86Å; T358-S360 VanDerWaalsContact C-N 3.33Å; T358-S360 PolarHBondContact O-N 3.32Å; T358-S361 PolarHBondContact O-N 3.21Å; T358-S361 PolarHBondContact O-OG 2.95Å; T358-Y370 HydrophobicContact CG2-CE2 4.47Å
359	Y	80.2	Confident	81.3	Confident	182 Å²	182	78.6 Å²	78.6	71%	0.714	42%	0.421	S	S	*	.	H	α-helix	trans	-67.9	-31.8	178.4	-72.5	-67.1	0	0	0	112.7	T355 L356 F362	T355-Y359 HydrophobicContact CG2-CD2 4.08Å; T355-Y359 HydrophobicContact CG2-CE2 3.73Å; T355-Y359 WeakPolarHBondContact O-CD2 3.41Å; T355-Y359 PolarHBondContact O-N 3.42Å; L356-Y359 PolarHBondContact O-N 3.46Å; Y359-F362 VanDerWaalsContact O-CD1 3.32Å; Y359-F362 WeakPolarHBondContact O-CD1 3.34Å; Y359-F362 WeakPolarHBondContact O-CE1 3.36Å
360	S	80.2	Confident	81.3	Confident	23 Å²	23	78.2 Å²	78.2	16%	0.161	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	7.8	-178.6	72.3	0	0	0	0	114.4	L356 L357 T358 F362 I363 L366	L356-S360 WeakPolarHBondContact O-CB 3.47Å; L356-S360 PolarHBondContact O-N 3.28Å; L356-S360 PolarHBondContact O-OG 3.44Å; L356-S360 VanDerWaalsContact O-OG 3.11Å; L357-S360 WeakPolarHBondContact CA-OG 3.44Å; L357-S360 CarbonylContact O-C 3.55Å; L357-S360 PolarHBondContact O-N 3.12Å; T358-S360 VanDerWaalsContact C-N 3.33Å; T358-S360 PolarHBondContact O-N 3.32Å; S360-F362 PolarHBondContact O-N 3.09Å; S360-F362 VanDerWaalsContact O-N 3.12Å; S360-I363 VanDerWaalsContact O-CB 3.31Å; S360-I363 WeakPolarHBondContact O-CB 3.36Å; S360-I363 PolarHBondContact O-N 3.01Å; S360-L366 VanDerWaalsContact OG-CD1 3.3Å; S360-L366 WeakPolarHBondContact OG-CD1 3.44Å
361	S	75.4	Confident	81.3	Confident	27 Å²	27	81.1 Å²	81.1	19%	0.189	43%	0.425	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-18.6	-172.1	58.7	0	0	0	0	114.3	L357 T358 I363 R367	L357-S361 WeakPolarHBondContact O-CA 3.43Å; L357-S361 VanDerWaalsContact O-CB 3.27Å; L357-S361 WeakPolarHBondContact O-CB 3.34Å; L357-S361 PolarHBondContact O-N 2.84Å; T358-S361 PolarHBondContact O-N 3.21Å; T358-S361 PolarHBondContact O-OG 2.95Å; S361-I363 VanDerWaalsContact C-N 3.26Å; S361-I363 PolarHBondContact O-N 2.98Å; S361-R367 WeakPolarHBondContact O-CD 3.48Å
362	F	79.1	Confident	81.6	Confident	160 Å²	160	83.2 Å²	83.2	70%	0.702	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-15	173.4	64	-98.9	0	0	0	113.3	Y359 S360 P364	Y359-F362 VanDerWaalsContact O-CD1 3.32Å; Y359-F362 WeakPolarHBondContact O-CD1 3.34Å; Y359-F362 WeakPolarHBondContact O-CE1 3.36Å; S360-F362 PolarHBondContact O-N 3.09Å; S360-F362 VanDerWaalsContact O-N 3.12Å; F362-P364 VanDerWaalsContact O-CD 3.31Å; F362-P364 WeakPolarHBondContact O-CD 3.29Å
363	I	81.3	Confident	81.9	Confident	66 Å²	66	78.7 Å²	78.7	34%	0.338	41%	0.408	S	S	.	.	S	Bend	trans	-81	110.7	177	-60.4	179.4	0	0	0	107.8	S360 S361 P365 L366 R367	S360-I363 VanDerWaalsContact O-CB 3.31Å; S360-I363 WeakPolarHBondContact O-CB 3.36Å; S360-I363 PolarHBondContact O-N 3.01Å; S361-I363 VanDerWaalsContact C-N 3.26Å; S361-I363 PolarHBondContact O-N 2.98Å; I363-P365 HydrophobicContact CG2-CG 4.49Å; I363-L366 HydrophobicContact CB-CB 4.43Å; I363-L366 HydrophobicContact CB-CD1 4.07Å; I363-L366 HydrophobicContact CB-CG 4.31Å; I363-L366 HydrophobicContact CD1-CD1 4.12Å; I363-L366 HydrophobicContact CG2-CD1 4.11Å; I363-L366 HydrophobicContact CG2-CG 4.09Å; I363-L366 PolarHBondContact O-N 3.41Å; I363-R367 PolarHBondContact O-N 2.93Å
364	P	80.1	Confident	82.4	Confident	104 Å²	104	74.9 Å²	74.9	68%	0.675	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	-54.8	-40	-169.1	-23.6	32.1	0	0	0	115	F362 L366 R367	F362-P364 VanDerWaalsContact O-CD 3.31Å; F362-P364 WeakPolarHBondContact O-CD 3.29Å; P364-L366 PolarHBondContact O-N 3.4Å; P364-R367 VanDerWaalsContact O-CB 3.31Å; P364-R367 WeakPolarHBondContact O-CB 3.17Å; P364-R367 PolarHBondContact O-N 3.48Å
365	P	83.1	Confident	82.9	Confident	103 Å²	103	78 Å²	78	67%	0.669	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-60.9	-25.9	174.7	-27.4	34.7	0	0	0	115.8	I363	I363-P365 HydrophobicContact CG2-CG 4.49Å
366	L	82.1	Confident	83.4	Confident	51 Å²	51	76 Å²	76	27%	0.267	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-90.9	-12.4	-179.4	-61.2	178.4	0	0	0	112.3	L357 S360 I363 P364 M369 Y370	L357-L366 HydrophobicContact CD2-CB 4.29Å; S360-L366 VanDerWaalsContact OG-CD1 3.3Å; S360-L366 WeakPolarHBondContact OG-CD1 3.44Å; I363-L366 HydrophobicContact CB-CB 4.43Å; I363-L366 HydrophobicContact CB-CD1 4.07Å; I363-L366 HydrophobicContact CB-CG 4.31Å; I363-L366 HydrophobicContact CD1-CD1 4.12Å; I363-L366 HydrophobicContact CG2-CD1 4.11Å; I363-L366 HydrophobicContact CG2-CG 4.09Å; I363-L366 PolarHBondContact O-N 3.41Å; P364-L366 PolarHBondContact O-N 3.4Å; L366-M369 HydrophobicContact CD2-SD 4.32Å; L366-M369 PolarHBondContact O-N 2.83Å; L366-Y370 PolarHBondContact O-N 3.23Å
367	R	81.9	Confident	83.8	Confident	109 Å²	109	72.7 Å²	72.7	41%	0.411	38%	0.379	S	S	.	.	H	α-helix	trans	-57.7	-46.2	-178.4	-173.3	70.8	-154.1	-163.2	2.2	113.1	S361 I363 P364 M369 Y370 D371	S361-R367 WeakPolarHBondContact O-CD 3.48Å; I363-R367 PolarHBondContact O-N 2.93Å; P364-R367 VanDerWaalsContact O-CB 3.31Å; P364-R367 WeakPolarHBondContact O-CB 3.17Å; P364-R367 PolarHBondContact O-N 3.48Å; R367-M369 VanDerWaalsContact C-N 3.3Å; R367-M369 PolarHBondContact O-N 3.45Å; R367-Y370 WeakPolarHBondContact O-CB 3.25Å; R367-Y370 PolarHBondContact O-N 2.98Å; R367-Y370 VanDerWaalsContact O-N 3.17Å; R367-D371 IonicContact CZ-OD1 3.27Å; R367-D371 VanDerWaalsContact CZ-OD1 3.27Å; R367-D371 IonicContact NE-OD1 2.97Å; R367-D371 PolarHBondContact NE-OD1 3.47Å; R367-D371 IonicContact NE-OD2 3.27Å; R367-D371 PolarHBondContact NE-OD2 3.02Å; R367-D371 IonicContact NH2-OD1 2.82Å; R367-D371 PolarHBondContact NH2-OD1 2.98Å; R367-D371 PolarHBondContact O-N 3.43Å
368	P	86.2	Confident	84.4	Confident	79 Å²	79	75.6 Å²	75.6	51%	0.513	40%	0.395	S	S	.	.	H	α-helix	trans	-62.5	-35.3	177.8	-23.1	34.8	0	0	0	113.4	S372	P368-S372 WeakPolarHBondContact O-CB 3.32Å; P368-S372 PolarHBondContact O-N 3.25Å; P368-S372 PolarHBondContact O-OG 3.49Å
369	M	83.4	Confident	84.9	Confident	113 Å²	113	75.1 Å²	75.1	56%	0.557	39%	0.389	S	S	*	.	H	α-helix	trans	-67.8	-43.1	175.9	-64.4	-175.3	-178.2	0	0	111	L357 L366 R367 S372 V373	L357-M369 HydrophobicContact CD1-CB 4.12Å; L357-M369 HydrophobicContact CD2-CB 3.89Å; L366-M369 HydrophobicContact CD2-SD 4.32Å; L366-M369 PolarHBondContact O-N 2.83Å; R367-M369 VanDerWaalsContact C-N 3.3Å; R367-M369 PolarHBondContact O-N 3.45Å; M369-S372 PolarHBondContact O-N 3.11Å; M369-V373 WeakPolarHBondContact O-CG2 3.29Å; M369-V373 PolarHBondContact O-N 2.97Å
370	Y	84.5	Confident	85.3	Confident	41 Å²	41	69 Å²	69	16%	0.161	37%	0.369	C	S	.	.	H	α-helix	trans	-59.4	-50.1	174.3	174.4	-99.2	0	0	0	111.5	L357 T358 L366 R367 S372 V373 M374	L357-Y370 HydrophobicContact CB-CD2 4.02Å; L357-Y370 WeakPolarHBondContact O-CD2 3.26Å; T358-Y370 HydrophobicContact CG2-CE2 4.47Å; L366-Y370 PolarHBondContact O-N 3.23Å; R367-Y370 WeakPolarHBondContact O-CB 3.25Å; R367-Y370 PolarHBondContact O-N 2.98Å; R367-Y370 VanDerWaalsContact O-N 3.17Å; Y370-S372 VanDerWaalsContact C-N 3.28Å; Y370-S372 PolarHBondContact O-N 2.86Å; Y370-V373 PolarHBondContact O-N 3Å; Y370-V373 VanDerWaalsContact O-N 3.15Å; Y370-M374 HydrophobicContact CD1-CG 4.16Å; Y370-M374 HydrophobicContact CD2-CE 4.36Å; Y370-M374 HydrophobicContact CD2-CG 4.36Å; Y370-M374 HydrophobicContact CE1-CG 3.64Å; Y370-M374 HydrophobicContact CE2-CE 3.86Å; Y370-M374 HydrophobicContact CE2-CG 3.86Å; Y370-M374 HydrophobicContact CE2-SD 3.96Å; Y370-M374 VanDerWaalsContact CZ-CG 3.49Å; Y370-M374 WeakPolarHBondContact O-CG 3.29Å; Y370-M374 PolarHBondContact O-N 3.46Å
371	D	86.9	Confident	85.7	Confident	68 Å²	68	74 Å²	74	36%	0.364	39%	0.388	S	S	.	.	H	α-helix	trans	-61.4	-38	-179.6	-66.1	-30.2	0	0	0	111.3	R367 M374 M375	R367-D371 IonicContact CZ-OD1 3.27Å; R367-D371 VanDerWaalsContact CZ-OD1 3.27Å; R367-D371 IonicContact NE-OD1 2.97Å; R367-D371 PolarHBondContact NE-OD1 3.47Å; R367-D371 IonicContact NE-OD2 3.27Å; R367-D371 PolarHBondContact NE-OD2 3.02Å; R367-D371 IonicContact NH2-OD1 2.82Å; R367-D371 PolarHBondContact NH2-OD1 2.98Å; R367-D371 PolarHBondContact O-N 3.43Å; D371-M374 PolarHBondContact O-N 3.41Å; D371-M375 WeakPolarHBondContact O-CB 3.26Å; D371-M375 PolarHBondContact O-N 3.45Å
372	S	87.4	Confident	86.4	Confident	68 Å²	68	80.3 Å²	80.3	48%	0.476	41%	0.414	S	S	.	.	H	α-helix	trans	-63.8	-42.5	174.7	-57.7	0	0	0	0	112.6	P368 M369 Y370 M375 L376	P368-S372 WeakPolarHBondContact O-CB 3.32Å; P368-S372 PolarHBondContact O-N 3.25Å; P368-S372 PolarHBondContact O-OG 3.49Å; M369-S372 PolarHBondContact O-N 3.11Å; Y370-S372 VanDerWaalsContact C-N 3.28Å; Y370-S372 PolarHBondContact O-N 2.86Å; S372-M375 PolarHBondContact O-N 3.44Å; S372-L376 WeakPolarHBondContact O-CG 3.34Å; S372-L376 PolarHBondContact O-N 3.2Å
373	V	87.9	Confident	86.9	Confident	13 Å²	13	74 Å²	74	8%	0.079	39%	0.388	C	S	.	.	H	α-helix	trans	-69.9	-34.5	177.5	174.5	0	0	0	0	111.4	M347 K354 L357 M369 Y370 N377	M347-V373 HydrophobicContact CE-CG1 4.5Å; K354-V373 HydrophobicContact CB-CG1 3.79Å; K354-V373 HydrophobicContact CD-CG1 4.41Å; K354-V373 HydrophobicContact CG-CG1 3.87Å; L357-V373 HydrophobicContact CD1-CB 4.48Å; L357-V373 HydrophobicContact CD1-CG2 3.82Å; M369-V373 WeakPolarHBondContact O-CG2 3.29Å; M369-V373 PolarHBondContact O-N 2.97Å; Y370-V373 PolarHBondContact O-N 3Å; Y370-V373 VanDerWaalsContact O-N 3.15Å; V373-N377 WeakPolarHBondContact O-CB 3.19Å; V373-N377 PolarHBondContact O-N 3.23Å
374	M	89.3	Confident	87.4	Confident	37 Å²	37	71.1 Å²	71.1	18%	0.182	37%	0.373	C	S	.	.	H	α-helix	trans	-67.4	-42	172.9	-68.9	-53.5	97.5	0	0	111.8	K354 Y370 D371 L376 N377 D378	K354-M374 HydrophobicContact CD-CE 3.99Å; K354-M374 HydrophobicContact CG-CE 3.6Å; Y370-M374 HydrophobicContact CD1-CG 4.16Å; Y370-M374 HydrophobicContact CD2-CE 4.36Å; Y370-M374 HydrophobicContact CD2-CG 4.36Å; Y370-M374 HydrophobicContact CE1-CG 3.64Å; Y370-M374 HydrophobicContact CE2-CE 3.86Å; Y370-M374 HydrophobicContact CE2-CG 3.86Å; Y370-M374 HydrophobicContact CE2-SD 3.96Å; Y370-M374 VanDerWaalsContact CZ-CG 3.49Å; Y370-M374 WeakPolarHBondContact O-CG 3.29Å; Y370-M374 PolarHBondContact O-N 3.46Å; D371-M374 PolarHBondContact O-N 3.41Å; M374-L376 PolarHBondContact O-N 2.99Å; M374-N377 WeakPolarHBondContact O-CB 3.43Å; M374-N377 PolarHBondContact O-N 2.97Å; M374-N377 VanDerWaalsContact O-N 3.11Å; M374-D378 PolarHBondContact O-N 3.1Å
375	M	90.1	Very high	88	Confident	124 Å²	124	66.2 Å²	66.2	61%	0.611	34%	0.341	S	S	*	.	H	α-helix	trans	-56.7	-48.4	173.6	177.9	-173.4	174	0	0	111.4	D371 S372 N377 D378 I379	D371-M375 WeakPolarHBondContact O-CB 3.26Å; D371-M375 PolarHBondContact O-N 3.45Å; S372-M375 PolarHBondContact O-N 3.44Å; M375-N377 VanDerWaalsContact C-N 3.3Å; M375-N377 PolarHBondContact O-N 3.39Å; M375-D378 PolarHBondContact O-N 2.88Å; M375-I379 HydrophobicContact CE-CD1 3.95Å; M375-I379 HydrophobicContact CG-CD1 4.03Å; M375-I379 WeakPolarHBondContact O-CG1 3.43Å; M375-I379 PolarHBondContact O-N 3.48Å
376	L	91.1	Very high	88.6	Confident	36 Å²	36	61.3 Å²	61.3	19%	0.188	31%	0.309	C	S	.	.	H	α-helix	trans	-60.7	-39.8	175.1	-72.4	176.2	0	0	0	112.1	M347 L350 S372 M374 D378 I379 N380 V385	M347-L376 HydrophobicContact SD-CB 3.93Å; L350-L376 HydrophobicContact CD1-CD1 3.83Å; S372-L376 WeakPolarHBondContact O-CG 3.34Å; S372-L376 PolarHBondContact O-N 3.2Å; M374-L376 PolarHBondContact O-N 2.99Å; L376-D378 VanDerWaalsContact C-N 3.27Å; L376-D378 PolarHBondContact O-N 3.41Å; L376-I379 PolarHBondContact O-N 2.88Å; L376-N380 VanDerWaalsContact O-CB 3.3Å; L376-N380 WeakPolarHBondContact O-CB 3.32Å; L376-N380 PolarHBondContact O-N 3.42Å; L376-V385 HydrophobicContact CB-CG2 4.21Å; L376-V385 HydrophobicContact CD2-CG1 4.48Å; L376-V385 HydrophobicContact CD2-CG2 4.18Å; L376-V385 WeakPolarHBondContact O-CG2 3.42Å
377	N	90.2	Very high	89.2	Confident	42 Å²	42	60.2 Å²	60.2	23%	0.225	30%	0.303	C	S	.	.	H	α-helix	trans	-62.7	-34.8	176.7	-175.1	82.1	0	0	0	112.8	M347 K354 V373 M374 M375	M347-N377 HydrophobicContact CE-CB 3.55Å; M347-N377 HydrophobicContact SD-CB 4.39Å; K354-N377 VanDerWaalsContact NZ-CG 3.3Å; K354-N377 PolarHBondContact NZ-OD1 3.27Å; V373-N377 WeakPolarHBondContact O-CB 3.19Å; V373-N377 PolarHBondContact O-N 3.23Å; M374-N377 WeakPolarHBondContact O-CB 3.43Å; M374-N377 PolarHBondContact O-N 2.97Å; M374-N377 VanDerWaalsContact O-N 3.11Å; M375-N377 VanDerWaalsContact C-N 3.3Å; M375-N377 PolarHBondContact O-N 3.39Å
378	D	91.4	Very high	89.9	Confident	81 Å²	81	55 Å²	55	43%	0.433	28%	0.284	S	S	.	.	H	α-helix	trans	-73.8	-42.5	175.8	-74.2	-30.3	0	0	0	111.9	M374 M375 L376 N380 K381	M374-D378 PolarHBondContact O-N 3.1Å; M375-D378 PolarHBondContact O-N 2.88Å; L376-D378 VanDerWaalsContact C-N 3.27Å; L376-D378 PolarHBondContact O-N 3.41Å; D378-N380 VanDerWaalsContact C-N 3.3Å; D378-N380 PolarHBondContact O-N 2.93Å; D378-K381 WeakPolarHBondContact O-CB 3.21Å; D378-K381 PolarHBondContact O-N 3.33Å; D378-K381 IonicContact OD1-NZ 2.72Å; D378-K381 PolarHBondContact OD1-NZ 3.46Å
379	I	90.7	Very high	90.4	Very high	51 Å²	51	51.5 Å²	51.5	26%	0.262	26%	0.261	S	S	.	.	H	α-helix	trans	-59.1	-42.7	174	-65.9	165.7	0	0	0	110.9	M375 L376 K381 H382 D383 P451	M375-I379 HydrophobicContact CE-CD1 3.95Å; M375-I379 HydrophobicContact CG-CD1 4.03Å; M375-I379 WeakPolarHBondContact O-CG1 3.43Å; M375-I379 PolarHBondContact O-N 3.48Å; L376-I379 PolarHBondContact O-N 2.88Å; I379-K381 PolarHBondContact O-N 3.44Å; I379-H382 PolarHBondContact O-N 2.93Å; I379-D383 CarbonylContact C-O 3.53Å; I379-D383 HydrophobicContact CG2-CB 4.06Å; I379-D383 PolarHBondContact O-N 3.27Å; I379-P451 HydrophobicContact CG2-CB 3.98Å; I379-P451 HydrophobicContact CG2-CG 3.8Å
380	N	90.1	Very high	91.1	Very high	53 Å²	53	46.2 Å²	46.2	28%	0.283	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-18.9	-179.9	-169.5	72.8	0	0	0	114.6	M347 L376 D378 H382 D383 V385	M347-N380 HydrophobicContact CG-CB 3.65Å; M347-N380 VanDerWaalsContact CG-CG 3.41Å; M347-N380 HydrophobicContact SD-CB 4.48Å; L376-N380 VanDerWaalsContact O-CB 3.3Å; L376-N380 WeakPolarHBondContact O-CB 3.32Å; L376-N380 PolarHBondContact O-N 3.42Å; D378-N380 VanDerWaalsContact C-N 3.3Å; D378-N380 PolarHBondContact O-N 2.93Å; N380-H382 VanDerWaalsContact C-N 3.3Å; N380-D383 VanDerWaalsContact CA-O 3.25Å; N380-D383 WeakPolarHBondContact CA-O 3.23Å; N380-V385 HydrophobicContact CB-CB 4.35Å; N380-V385 HydrophobicContact CB-CG2 3.82Å; N380-V385 PolarHBondContact OD1-N 2.92Å
381	K	88.3	Confident	91.7	Very high	128 Å²	128	44.4 Å²	44.4	56%	0.557	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-31.1	175.9	-65.9	169.5	178.6	160.3	0	112.4	D378 I379	D378-K381 WeakPolarHBondContact O-CB 3.21Å; D378-K381 PolarHBondContact O-N 3.33Å; D378-K381 IonicContact OD1-NZ 2.72Å; D378-K381 PolarHBondContact OD1-NZ 3.46Å; I379-K381 PolarHBondContact O-N 3.44Å
382	H	88.6	Confident	92.2	Very high	160 Å²	160	41.2 Å²	41.2	74%	0.741	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-116.6	-37.7	-175.3	-58.1	-66.9	0	0	0	112.4	I379 N380	I379-H382 PolarHBondContact O-N 2.93Å; N380-H382 VanDerWaalsContact C-N 3.3Å
383	D	90.2	Very high	92.7	Very high	28 Å²	28	38 Å²	38	15%	0.15	19%	0.188	C	C	.	.	S	Bend	trans	-125.6	109.7	178.9	-175.6	-1.3	0	0	0	109.5	I379 N380 V385 P451 L452 S453	I379-D383 CarbonylContact C-O 3.53Å; I379-D383 HydrophobicContact CG2-CB 4.06Å; I379-D383 PolarHBondContact O-N 3.27Å; N380-D383 VanDerWaalsContact CA-O 3.25Å; N380-D383 WeakPolarHBondContact CA-O 3.23Å; D383-V385 PolarHBondContact O-N 3.31Å; D383-P451 HydrophobicContact CB-CB 4.38Å; D383-P451 WeakPolarHBondContact OD2-CB 3.36Å; D383-L452 WeakPolarHBondContact OD1-CA 3.07Å; D383-L452 WeakPolarHBondContact OD1-CB 3.24Å; D383-L452 PolarHBondContact OD1-N 3.08Å; D383-S453 PolarHBondContact OD1-N 3.08Å; D383-S453 VanDerWaalsContact OD2-CB 3.29Å; D383-S453 WeakPolarHBondContact OD2-CB 3.43Å; D383-S453 PolarHBondContact OD2-N 3.46Å; D383-S453 PolarHBondContact OD2-OG 3.42Å
384	P	92.6	Very high	93.2	Very high	5 Å²	5	37.3 Å²	37.3	3%	0.032	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-54.7	124.6	-175.2	-25.8	34.1	0	0	0	112.8	N99 K103 C386 L452	N99-P384 VanDerWaalsContact OD1-CD 3.27Å; N99-P384 WeakPolarHBondContact OD1-CD 3.4Å; N99-P384 WeakPolarHBondContact OD1-CG 3.28Å; K103-P384 HydrophobicContact CG-CG 4.27Å; P384-C386 PolarHBondContact O-N 3.2Å; P384-C386 PolarHBondContact O-SG 2.74Å; P384-C386 VanDerWaalsContact O-SG 3.33Å; P384-L452 WeakPolarHBondContact O-CB 3.47Å; P384-L452 PolarHBondContact O-N 3.44Å
385	V	93.2	Very high	93.6	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.006	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-74.9	122	171.8	175.1	0	0	0	0	108.4	G346 M347 L376 N380 D383	G346-V385 VanDerWaalsContact CA-O 3.29Å; G346-V385 WeakPolarHBondContact CA-O 3.5Å; G346-V385 PolarHBondContact N-O 2.87Å; M347-V385 HydrophobicContact CG-CB 4.03Å; M347-V385 HydrophobicContact CG-CG2 4.39Å; M347-V385 HydrophobicContact SD-CB 4.25Å; M347-V385 HydrophobicContact SD-CG1 4.31Å; M347-V385 HydrophobicContact SD-CG2 4.28Å; L376-V385 HydrophobicContact CB-CG2 4.21Å; L376-V385 HydrophobicContact CD2-CG1 4.48Å; L376-V385 HydrophobicContact CD2-CG2 4.18Å; L376-V385 WeakPolarHBondContact O-CG2 3.42Å; N380-V385 HydrophobicContact CB-CB 4.35Å; N380-V385 HydrophobicContact CB-CG2 3.82Å; N380-V385 PolarHBondContact OD1-N 2.92Å; D383-V385 PolarHBondContact O-N 3.31Å
386	C	94.7	Very high	93.9	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.148	C	C	.	.	P	Polyproline II helix	trans	-101.7	172.6	-175.5	-62	0	0	0	0	111	L342 M343 P384 Y449 P450	L342-C386 HydrophobicContact CD1-CB 3.42Å; L342-C386 VanDerWaalsContact CD1-CB 3.42Å; L342-C386 HydrophobicContact CG-CB 4.35Å; M343-C386 CarbonylContact O-C 3.53Å; M343-C386 WeakPolarHBondContact O-CA 3.46Å; M343-C386 WeakPolarHBondContact O-CB 3.41Å; P384-C386 PolarHBondContact O-N 3.2Å; P384-C386 PolarHBondContact O-SG 2.74Å; P384-C386 VanDerWaalsContact O-SG 3.33Å; C386-Y449 VanDerWaalsContact O-CA 3.31Å; C386-Y449 WeakPolarHBondContact O-CA 3.26Å; C386-P450 PolarHBondContact N-O 2.74Å
387	I	95.1	Very high	94.1	Very high	27 Å²	27	33 Å²	33	14%	0.138	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	123.3	164.6	-49	167.8	0	0	0	107	L342 M343 A349 P447 L448 Y449	L342-I387 WeakPolarHBondContact CA-O 3.46Å; M343-I387 HydrophobicContact CB-CB 4.22Å; M343-I387 HydrophobicContact CE-CB 3.82Å; M343-I387 HydrophobicContact CE-CG2 3.55Å; M343-I387 PolarHBondContact N-O 2.83Å; M343-I387 PolarHBondContact O-N 3.18Å; A349-I387 HydrophobicContact CB-CD1 3.56Å; A349-I387 HydrophobicContact CB-CG1 4.13Å; I387-P447 HydrophobicContact CG2-CB 3.67Å; I387-L448 CarbonylContact C-O 3.5Å; I387-L448 WeakPolarHBondContact CA-O 3.32Å; I387-Y449 HydrophobicContact CG1-CD1 4.42Å; I387-Y449 HydrophobicContact CG1-CE1 4.24Å
388	M	96.6	Very high	94.4	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	140.9	178.1	-174.1	175	-122.6	0	0	111.1	M340 D341 L342 I390 L448 P450 A455 L458 F459	M340-M388 HydrophobicContact CB-CE 4.41Å; D341-M388 CarbonylContact O-C 3.55Å; D341-M388 WeakPolarHBondContact O-CA 3.33Å; D341-M388 WeakPolarHBondContact O-CG 3.38Å; L342-M388 HydrophobicContact CD1-CB 4.25Å; M388-I390 HydrophobicContact CG-CD1 4.46Å; M388-I390 HydrophobicContact CG-CG1 4.15Å; M388-I390 HydrophobicContact SD-CD1 4.02Å; M388-I390 HydrophobicContact SD-CG1 4.31Å; M388-L448 HydrophobicContact CB-CB 4.39Å; M388-L448 PolarHBondContact N-O 3.23Å; M388-L448 WeakPolarHBondContact O-CA 3.4Å; M388-L448 WeakPolarHBondContact O-CB 3.48Å; M388-L448 WeakPolarHBondContact O-CG 3.48Å; M388-L448 PolarHBondContact O-N 2.83Å; M388-P450 HydrophobicContact CB-CG 3.67Å; M388-P450 HydrophobicContact SD-CG 4.12Å; M388-A455 HydrophobicContact CE-CB 3.85Å; M388-A455 WeakPolarHBondContact CE-O 3.31Å; M388-A455 HydrophobicContact SD-CB 4.11Å; M388-L458 HydrophobicContact SD-CD1 3.92Å; M388-F459 HydrophobicContact CE-CD1 4.24Å; M388-F459 HydrophobicContact CE-CE1 3.57Å; M388-F459 HydrophobicContact CE-CZ 4.02Å
389	T	97.1	Very high	94.6	Very high	4 Å²	4	35 Å²	35	3%	0.025	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	137.6	169.3	70.9	0	0	0	0	109.6	M340 D341 S443 G444	M340-T389 WeakPolarHBondContact CA-O 3.4Å; D341-T389 WeakPolarHBondContact CB-OG1 3.2Å; D341-T389 PolarHBondContact N-O 3.45Å; D341-T389 PolarHBondContact O-N 2.76Å; D341-T389 PolarHBondContact OD2-OG1 2.82Å; T389-S443 WeakPolarHBondContact OG1-CB 3.47Å; T389-G444 WeakPolarHBondContact CG2-O 3.17Å; T389-G444 PolarHBondContact OG1-N 2.94Å
390	I	97.1	Very high	95	Very high	3 Å²	3	38.8 Å²	38.8	2%	0.015	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	118.5	-178.4	-55.9	174	0	0	0	109	A312 I313 I338 R339 M340 M388 L448 L458	A312-I390 WeakPolarHBondContact CA-O 3.48Å; I313-I390 HydrophobicContact CB-CB 4.12Å; I313-I390 HydrophobicContact CD1-CB 3.91Å; I313-I390 HydrophobicContact CD1-CD1 3.86Å; I313-I390 HydrophobicContact CD1-CG1 4.48Å; I313-I390 HydrophobicContact CD1-CG2 3.63Å; I313-I390 HydrophobicContact CG1-CB 4.06Å; I313-I390 HydrophobicContact CG1-CG2 3.97Å; I313-I390 PolarHBondContact N-O 3.47Å; I313-I390 VanDerWaalsContact N-O 3.08Å; I338-I390 HydrophobicContact CD1-CG2 3.64Å; I338-I390 HydrophobicContact CG1-CG2 3.87Å; R339-I390 WeakPolarHBondContact O-CA 3.36Å; M340-I390 HydrophobicContact CB-CG1 4.39Å; M340-I390 HydrophobicContact CG-CG1 4.06Å; M340-I390 HydrophobicContact CG-CG2 4.15Å; M388-I390 HydrophobicContact CG-CD1 4.46Å; M388-I390 HydrophobicContact CG-CG1 4.15Å; M388-I390 HydrophobicContact SD-CD1 4.02Å; M388-I390 HydrophobicContact SD-CG1 4.31Å; I390-L448 HydrophobicContact CD1-CD1 4.39Å; I390-L458 HydrophobicContact CD1-CD1 4.21Å
391	V	97.1	Very high	95.3	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.012	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	126.8	177.5	-168.7	0	0	0	0	108.9	A312 R339 T435	A312-V391 HydrophobicContact CB-CG1 4.47Å; A312-V391 HydrophobicContact CB-CG2 4.28Å; R339-V391 PolarHBondContact N-O 2.86Å; R339-V391 PolarHBondContact O-N 2.97Å; V391-T435 HydrophobicContact CB-CG2 4.17Å; V391-T435 HydrophobicContact CG1-CG2 3.68Å
392	A	97.9	Very high	95.8	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.008	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	155.6	174.8	0	0	0	0	0	111.1	M310 V311 R337 I338 L409 L413	M310-A392 CarbonylContact C-O 3.56Å; M310-A392 VanDerWaalsContact CA-O 3.26Å; M310-A392 WeakPolarHBondContact CA-O 3.41Å; V311-A392 PolarHBondContact N-O 3.45Å; V311-A392 PolarHBondContact O-N 3.18Å; R337-A392 CarbonylContact O-C 3.58Å; R337-A392 WeakPolarHBondContact O-CA 3.29Å; R337-A392 WeakPolarHBondContact O-CB 3.48Å; I338-A392 HydrophobicContact CB-CB 4.16Å; I338-A392 HydrophobicContact CD1-CB 4.34Å; I338-A392 HydrophobicContact CG1-CB 4.09Å; A392-L409 HydrophobicContact CB-CD2 4.05Å; A392-L413 HydrophobicContact CB-CD1 3.97Å
393	T	97.8	Very high	96.2	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	151.2	170.4	-172.6	0	0	0	0	109.9	G309 W336 R337 W395 T435	G309-T393 CarbonylContact O-C 3.47Å; G309-T393 VanDerWaalsContact O-CA 3.23Å; G309-T393 WeakPolarHBondContact O-CA 3.28Å; G309-T393 PolarHBondContact O-OG1 3.01Å; W336-T393 CarbonylContact C-O 3.53Å; W336-T393 VanDerWaalsContact CA-O 3.24Å; W336-T393 WeakPolarHBondContact CA-O 3.29Å; R337-T393 HydrophobicContact CB-CG2 4Å; R337-T393 PolarHBondContact N-O 3.33Å; R337-T393 PolarHBondContact O-N 3.46Å; T393-W395 HydrophobicContact CG2-CE3 4.36Å; T393-W395 HydrophobicContact CG2-CZ3 4.18Å; T393-T435 HydrophobicContact CG2-CG2 3.93Å; T393-T435 VanDerWaalsContact CG2-OG1 3.25Å; T393-T435 WeakPolarHBondContact CG2-OG1 3.34Å
394	T	98.2	Very high	96.6	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	164.9	168	-177.7	0	0	0	0	108.4	H308 G309 I334 P335 N405 Q406 L409	H308-T394 WeakPolarHBondContact CA-O 3.38Å; G309-T394 PolarHBondContact N-O 3.47Å; G309-T394 PolarHBondContact O-N 3.07Å; I334-T394 WeakPolarHBondContact CG2-OG1 3.17Å; P335-T394 WeakPolarHBondContact O-CA 3.27Å; P335-T394 VanDerWaalsContact O-CB 3.28Å; P335-T394 WeakPolarHBondContact O-CB 3.43Å; P335-T394 PolarHBondContact O-OG1 3.47Å; T394-N405 HydrophobicContact CG2-CB 3.92Å; T394-N405 WeakPolarHBondContact OG1-CB 3.46Å; T394-Q406 VanDerWaalsContact CG2-CA 3.49Å; T394-Q406 HydrophobicContact CG2-CB 3.98Å; T394-L409 HydrophobicContact CG2-CD2 4.11Å
395	W	97.5	Very high	96.8	Very high	5 Å²	5	33.7 Å²	33.7	2%	0.019	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	169.8	-177.5	53.6	90.6	0	0	0	113.1	E114 D116 W307 P335 R337 T393 N405	E114-W395 HydrophobicContact CG-CH2 3.97Å; D116-W395 HydrophobicContact CB-CZ2 4.4Å; W307-W395 CarbonylContact O-C 3.53Å; W307-W395 WeakPolarHBondContact O-CA 3.43Å; W307-W395 WeakPolarHBondContact O-CB 3.42Å; P335-W395 HydrophobicContact CB-CD2 4.15Å; P335-W395 VanDerWaalsContact CB-CE2 3.48Å; P335-W395 HydrophobicContact CB-CH2 4.37Å; P335-W395 HydrophobicContact CB-CZ2 3.63Å; P335-W395 HydrophobicContact CG-CD2 4.29Å; P335-W395 HydrophobicContact CG-CG 4.21Å; P335-W395 WeakPolarHBondContact CG-O 3.3Å; R337-W395 HydrophobicContact CB-CH2 4.28Å; R337-W395 HydrophobicContact CB-CZ3 3.97Å; T393-W395 HydrophobicContact CG2-CE3 4.36Å; T393-W395 HydrophobicContact CG2-CZ3 4.18Å; W395-N405 PolarHBondContact O-ND2 3.48Å
396	G	96.7	Very high	97.1	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.4	161.9	173.1	0	0	0	0	0	112.3	W307 S398	W307-G396 PolarHBondContact N-O 2.97Å; W307-G396 PolarHBondContact O-N 3.06Å; G396-S398 PolarHBondContact O-N 2.83Å
397	N	95	Very high	97.2	Very high	102 Å²	102	37.2 Å²	37.2	55%	0.545	19%	0.188	S	C	.	.	S	Bend	trans	-72.4	-8.5	-178.4	-62.1	-25.6	0	0	0	113.8	L306	L306-N397 WeakPolarHBondContact CD2-OD1 3.26Å
398	S	96.6	Very high	97.4	Very high	35 Å²	35	39.5 Å²	39.5	25%	0.245	20%	0.2	C	C	.	.	S	Bend	trans	-138.3	158.3	173.8	96.8	0	0	0	0	110.3	G396 E400 V401 C402	G396-S398 PolarHBondContact O-N 2.83Å; S398-E400 VanDerWaalsContact CB-OE2 3.32Å; S398-E400 WeakPolarHBondContact CB-OE2 3.47Å; S398-E400 PolarHBondContact O-N 3.46Å; S398-E400 PolarHBondContact OG-N 3.34Å; S398-E400 PolarHBondContact OG-OE2 3.27Å; S398-V401 PolarHBondContact O-N 3.12Å; S398-V401 PolarHBondContact OG-N 3.4Å; S398-C402 WeakPolarHBondContact O-CB 3.2Å; S398-C402 PolarHBondContact O-N 3.45Å
399	R	96.4	Very high	97.4	Very high	128 Å²	128	39.5 Å²	39.5	48%	0.483	20%	0.2	S	C	.	.	H	α-helix	trans	-57.7	-38.8	176.6	-175.7	178.5	176.7	-179.1	-1.1	111.9	L300 W307 T403	L300-R399 HydrophobicContact CD1-CG 3.86Å; W307-R399 HydrophobicContact CD2-CB 3.8Å; W307-R399 HydrophobicContact CD2-CG 4.34Å; W307-R399 HydrophobicContact CE3-CB 3.88Å; W307-R399 HydrophobicContact CE3-CG 3.9Å; W307-R399 HydrophobicContact CG-CB 4.37Å; W307-R399 HydrophobicContact CH2-CB 4.25Å; W307-R399 HydrophobicContact CH2-CG 4.39Å; W307-R399 HydrophobicContact CZ2-CB 4.16Å; W307-R399 HydrophobicContact CZ3-CB 4.09Å; W307-R399 HydrophobicContact CZ3-CG 3.92Å; R399-T403 VanDerWaalsContact O-CB 3.29Å; R399-T403 WeakPolarHBondContact O-CB 3.39Å; R399-T403 PolarHBondContact O-N 3.24Å; R399-T403 PolarHBondContact O-OG1 3.04Å
400	E	97.3	Very high	97.5	Very high	131 Å²	131	42.6 Å²	42.6	61%	0.612	21%	0.213	S	C	*	.	H	α-helix	trans	-68.2	-47.1	-179.5	-58.4	67.6	-143.4	0	0	110.7	S398 T403 R404	S398-E400 VanDerWaalsContact CB-OE2 3.32Å; S398-E400 WeakPolarHBondContact CB-OE2 3.47Å; S398-E400 PolarHBondContact O-N 3.46Å; S398-E400 PolarHBondContact OG-N 3.34Å; S398-E400 PolarHBondContact OG-OE2 3.27Å; E400-T403 PolarHBondContact O-N 3.37Å; E400-R404 WeakPolarHBondContact O-CB 3.34Å; E400-R404 PolarHBondContact O-N 2.91Å
401	V	97.4	Very high	97.5	Very high	49 Å²	49	45.9 Å²	45.9	30%	0.297	24%	0.237	S	C	.	.	H	α-helix	trans	-61.9	-46.6	176.8	175.6	0	0	0	0	110.3	S398 T403 R404 N405	S398-V401 PolarHBondContact O-N 3.12Å; S398-V401 PolarHBondContact OG-N 3.4Å; V401-T403 VanDerWaalsContact C-N 3.34Å; V401-T403 PolarHBondContact O-N 2.6Å; V401-R404 PolarHBondContact O-N 2.85Å; V401-N405 WeakPolarHBondContact O-CB 2.97Å; V401-N405 PolarHBondContact O-N 3.08Å; V401-N405 PolarHBondContact O-OD1 3.46Å
402	C	97.9	Very high	97.5	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-61.2	-42.2	177.5	179.5	0	0	0	0	112	W307 G309 S398 N405 Q406	W307-C402 VanDerWaalsContact C-SG 3.54Å; W307-C402 HydrophobicContact CB-CB 3.53Å; W307-C402 PolarHBondContact O-SG 3.26Å; W307-C402 VanDerWaalsContact O-SG 3.32Å; G309-C402 PolarHBondContact N-SG 3.43Å; S398-C402 WeakPolarHBondContact O-CB 3.2Å; S398-C402 PolarHBondContact O-N 3.45Å; C402-N405 PolarHBondContact O-N 2.78Å; C402-Q406 WeakPolarHBondContact O-CB 3.27Å; C402-Q406 PolarHBondContact O-N 3.28Å
403	T	97.7	Very high	97.5	Very high	63 Å²	63	46.1 Å²	46.1	39%	0.387	24%	0.239	S	C	.	.	H	α-helix	trans	-66	-42.6	179.5	-59.8	0	0	0	0	111.1	R399 E400 V401 Q406 A407	R399-T403 VanDerWaalsContact O-CB 3.29Å; R399-T403 WeakPolarHBondContact O-CB 3.39Å; R399-T403 PolarHBondContact O-N 3.24Å; R399-T403 PolarHBondContact O-OG1 3.04Å; E400-T403 PolarHBondContact O-N 3.37Å; V401-T403 VanDerWaalsContact C-N 3.34Å; V401-T403 PolarHBondContact O-N 2.6Å; T403-Q406 PolarHBondContact O-N 2.68Å; T403-A407 PolarHBondContact O-N 2.82Å
404	R	97.9	Very high	97.4	Very high	150 Å²	150	49.5 Å²	49.5	57%	0.566	25%	0.254	S	S	*	.	H	α-helix	trans	-60.2	-48.1	173.3	-176.7	-169.8	69.6	-170.7	1.1	111.2	E400 V401 Q406 A407 L408	E400-R404 WeakPolarHBondContact O-CB 3.34Å; E400-R404 PolarHBondContact O-N 2.91Å; V401-R404 PolarHBondContact O-N 2.85Å; R404-Q406 VanDerWaalsContact C-N 3.32Å; R404-Q406 PolarHBondContact O-N 3.27Å; R404-A407 PolarHBondContact O-N 3.27Å; R404-L408 HydrophobicContact CG-CD1 4.24Å; R404-L408 WeakPolarHBondContact O-CG 3.25Å; R404-L408 PolarHBondContact O-N 2.92Å; R404-L408 VanDerWaalsContact O-N 3.09Å
405	N	98.3	Very high	97.3	Very high	6 Å²	6	51.1 Å²	51.1	3%	0.032	27%	0.271	C	S	.	.	H	α-helix	trans	-61.7	-41.2	178.9	-69	-2.7	0	0	0	111	I334 T394 W395 V401 C402 A407 L408 L409	I334-N405 HydrophobicContact CG2-CB 4.05Å; T394-N405 HydrophobicContact CG2-CB 3.92Å; T394-N405 WeakPolarHBondContact OG1-CB 3.46Å; W395-N405 PolarHBondContact O-ND2 3.48Å; V401-N405 WeakPolarHBondContact O-CB 2.97Å; V401-N405 PolarHBondContact O-N 3.08Å; V401-N405 PolarHBondContact O-OD1 3.46Å; C402-N405 PolarHBondContact O-N 2.78Å; N405-A407 PolarHBondContact O-N 3.22Å; N405-L408 PolarHBondContact O-N 3.31Å; N405-L409 WeakPolarHBondContact O-CB 3.44Å; N405-L409 PolarHBondContact O-N 3.25Å
406	Q	98.2	Very high	97.2	Very high	16 Å²	16	50.9 Å²	50.9	8%	0.075	27%	0.27	C	S	.	.	H	α-helix	trans	-62.3	-41.9	176.7	-173.3	-173.3	36.6	0	0	111.6	M310 V311 T394 C402 T403 R404 K410 T423	M310-Q406 PolarHBondContact O-NE2 2.79Å; V311-Q406 HydrophobicContact CG2-CG 3.91Å; T394-Q406 VanDerWaalsContact CG2-CA 3.49Å; T394-Q406 HydrophobicContact CG2-CB 3.98Å; C402-Q406 WeakPolarHBondContact O-CB 3.27Å; C402-Q406 PolarHBondContact O-N 3.28Å; T403-Q406 PolarHBondContact O-N 2.68Å; R404-Q406 VanDerWaalsContact C-N 3.32Å; R404-Q406 PolarHBondContact O-N 3.27Å; Q406-K410 WeakPolarHBondContact O-CB 3.5Å; Q406-K410 PolarHBondContact O-N 3.49Å; Q406-T423 HydrophobicContact CG-CG2 4.17Å
407	A	97.9	Very high	97	Very high	59 Å²	59	50.9 Å²	50.9	49%	0.488	27%	0.271	S	S	.	.	H	α-helix	trans	-63.9	-42.6	177.6	0	0	0	0	0	112.3	T403 R404 N405 K410 S411	T403-A407 PolarHBondContact O-N 2.82Å; R404-A407 PolarHBondContact O-N 3.27Å; N405-A407 PolarHBondContact O-N 3.22Å; A407-K410 PolarHBondContact O-N 3.32Å; A407-S411 PolarHBondContact O-N 2.88Å
408	L	98.1	Very high	96.9	Very high	75 Å²	75	49.8 Å²	49.8	39%	0.393	27%	0.267	S	S	.	.	H	α-helix	trans	-69.1	-43.2	177.9	-69.5	170.5	0	0	0	112	I334 R404 N405 K410 S411 A412	I334-L408 HydrophobicContact CD1-CB 3.35Å; I334-L408 HydrophobicContact CD1-CD1 3.64Å; I334-L408 HydrophobicContact CD1-CG 4.13Å; R404-L408 HydrophobicContact CG-CD1 4.24Å; R404-L408 WeakPolarHBondContact O-CG 3.25Å; R404-L408 PolarHBondContact O-N 2.92Å; R404-L408 VanDerWaalsContact O-N 3.09Å; N405-L408 PolarHBondContact O-N 3.31Å; L408-K410 VanDerWaalsContact C-N 3.34Å; L408-S411 PolarHBondContact O-N 3.21Å; L408-A412 PolarHBondContact O-N 3.39Å
409	L	98	Very high	96.8	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-62.4	-42.6	174.5	177.3	60.7	0	0	0	111.4	V330 W336 A392 T394 N405 A412 L413	V330-L409 HydrophobicContact CG2-CD1 3.95Å; W336-L409 HydrophobicContact CB-CD1 4.25Å; W336-L409 HydrophobicContact CB-CD2 4.04Å; W336-L409 HydrophobicContact CD2-CD1 4.26Å; W336-L409 HydrophobicContact CE3-CD1 4.19Å; W336-L409 HydrophobicContact CG-CD1 4.3Å; A392-L409 HydrophobicContact CB-CD2 4.05Å; T394-L409 HydrophobicContact CG2-CD2 4.11Å; N405-L409 WeakPolarHBondContact O-CB 3.44Å; N405-L409 PolarHBondContact O-N 3.25Å; L409-A412 PolarHBondContact O-N 3.07Å; L409-L413 HydrophobicContact CD1-CD1 4.23Å; L409-L413 HydrophobicContact CD1-CG 4.33Å; L409-L413 HydrophobicContact CG-CD1 4.08Å; L409-L413 WeakPolarHBondContact O-CG 3.42Å; L409-L413 PolarHBondContact O-N 3.35Å
410	K	97.8	Very high	96.8	Very high	69 Å²	69	43.4 Å²	43.4	30%	0.3	25%	0.245	S	C	.	.	H	α-helix	trans	-57.3	-49.4	174.3	-178.1	-172.1	167.8	-174.1	0	110.8	V311 Q406 A407 L408 A412 L413 E414 T421 T423	V311-K410 HydrophobicContact CG1-CB 4.28Å; V311-K410 HydrophobicContact CG1-CG 4.25Å; V311-K410 HydrophobicContact CG2-CB 4.13Å; Q406-K410 WeakPolarHBondContact O-CB 3.5Å; Q406-K410 PolarHBondContact O-N 3.49Å; A407-K410 PolarHBondContact O-N 3.32Å; L408-K410 VanDerWaalsContact C-N 3.34Å; K410-A412 VanDerWaalsContact C-N 3.32Å; K410-A412 PolarHBondContact O-N 2.86Å; K410-L413 PolarHBondContact O-N 3.39Å; K410-E414 WeakPolarHBondContact CE-OE1 3.45Å; K410-E414 IonicContact NZ-OE1 2.73Å; K410-E414 WeakPolarHBondContact O-CG 3.43Å; K410-E414 PolarHBondContact O-N 3.17Å; K410-T421 WeakPolarHBondContact CE-OG1 3.32Å; K410-T421 VanDerWaalsContact CG-OG1 3.26Å; K410-T421 WeakPolarHBondContact CG-OG1 3.36Å; K410-T423 HydrophobicContact CD-CG2 4.26Å
411	S	97.8	Very high	96.7	Very high	73 Å²	73	38.1 Å²	38.1	51%	0.51	22%	0.222	S	C	.	.	H	α-helix	trans	-60.5	-39.9	178.6	-173.5	0	0	0	0	112.5	A407 L408 E414 G415	A407-S411 PolarHBondContact O-N 2.88Å; L408-S411 PolarHBondContact O-N 3.21Å; S411-E414 PolarHBondContact O-N 2.84Å; S411-G415 PolarHBondContact O-N 3.48Å
412	A	97.4	Very high	96.6	Very high	7 Å²	7	37.3 Å²	37.3	6%	0.058	22%	0.217	C	C	.	.	H	α-helix	trans	-66.4	-41.8	176.7	0	0	0	0	0	111.8	L326 D329 V330 L408 L409 K410 G415 W416	L326-A412 HydrophobicContact CD1-CB 4.47Å; D329-A412 HydrophobicContact CB-CB 4.28Å; V330-A412 HydrophobicContact CB-CB 4.44Å; V330-A412 HydrophobicContact CG2-CB 3.58Å; L408-A412 PolarHBondContact O-N 3.39Å; L409-A412 PolarHBondContact O-N 3.07Å; K410-A412 VanDerWaalsContact C-N 3.32Å; K410-A412 PolarHBondContact O-N 2.86Å; A412-G415 CarbonylContact O-C 3.54Å; A412-G415 PolarHBondContact O-N 3.33Å; A412-W416 PolarHBondContact O-N 2.95Å
413	L	96.8	Very high	96.5	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-64.5	-40.4	174.9	-72.7	167.3	0	0	0	112.2	V311 I313 L326 I338 A392 L409 K410 G415 W416 C419 T421	V311-L413 HydrophobicContact CB-CD1 3.9Å; V311-L413 HydrophobicContact CG1-CD1 3.7Å; I313-L413 HydrophobicContact CD1-CD2 4.44Å; L326-L413 HydrophobicContact CD1-CD2 3.88Å; L326-L413 HydrophobicContact CD1-CG 4.39Å; L326-L413 HydrophobicContact CD2-CD2 4Å; I338-L413 HydrophobicContact CD1-CD2 4.12Å; A392-L413 HydrophobicContact CB-CD1 3.97Å; L409-L413 HydrophobicContact CD1-CD1 4.23Å; L409-L413 HydrophobicContact CD1-CG 4.33Å; L409-L413 HydrophobicContact CG-CD1 4.08Å; L409-L413 WeakPolarHBondContact O-CG 3.42Å; L409-L413 PolarHBondContact O-N 3.35Å; K410-L413 PolarHBondContact O-N 3.39Å; L413-G415 VanDerWaalsContact C-N 3.32Å; L413-W416 HydrophobicContact CD2-CE3 4.39Å; L413-W416 WeakPolarHBondContact O-CB 2.91Å; L413-W416 PolarHBondContact O-N 3.46Å; L413-C419 WeakPolarHBondContact O-CB 3.02Å; L413-T421 HydrophobicContact CB-CG2 4Å
414	E	96.9	Very high	96.2	Very high	70 Å²	70	40.8 Å²	40.8	33%	0.327	24%	0.238	S	C	.	.	H	α-helix	trans	-63.6	-38.9	173.9	-71.4	175	159.8	0	0	111.3	K410 S411 W416 V418 C419 T421	K410-E414 WeakPolarHBondContact CE-OE1 3.45Å; K410-E414 IonicContact NZ-OE1 2.73Å; K410-E414 WeakPolarHBondContact O-CG 3.43Å; K410-E414 PolarHBondContact O-N 3.17Å; S411-E414 PolarHBondContact O-N 2.84Å; E414-W416 VanDerWaalsContact C-N 3.27Å; E414-W416 PolarHBondContact O-N 3.14Å; E414-V418 WeakPolarHBondContact O-CA 3.5Å; E414-V418 PolarHBondContact O-N 3.05Å; E414-C419 PolarHBondContact O-N 3.37Å; E414-C419 VanDerWaalsContact O-N 3.17Å; E414-T421 HydrophobicContact CG-CG2 3.63Å; E414-T421 PolarHBondContact OE1-OG1 3.29Å
415	G	95.2	Very high	95.8	Very high	34 Å²	34	34.4 Å²	34.4	35%	0.351	22%	0.215	S	C	.	.	H	α-helix	trans	-68.7	-20.5	173.8	0	0	0	0	0	114.6	S411 A412 L413 G417	S411-G415 PolarHBondContact O-N 3.48Å; A412-G415 CarbonylContact O-C 3.54Å; A412-G415 PolarHBondContact O-N 3.33Å; L413-G415 VanDerWaalsContact C-N 3.32Å; G415-G417 PolarHBondContact O-N 2.86Å
416	W	95.9	Very high	95.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	72	178.4	-171.4	47.3	0	0	0	111.2	I313 R321 T322 F323 L326 M340 A412 L413 E414 C419 L458	I313-W416 HydrophobicContact CD1-CE3 4.26Å; I313-W416 HydrophobicContact CD1-CZ3 4.15Å; R321-W416 PolarHBondContact O-NE1 3.15Å; R321-W416 VanDerWaalsContact O-NE1 3.08Å; T322-W416 PolarHBondContact O-NE1 3.41Å; F323-W416 HydrophobicContact CD2-CH2 4.28Å; F323-W416 HydrophobicContact CD2-CZ2 4.17Å; L326-W416 HydrophobicContact CB-CB 4.49Å; L326-W416 HydrophobicContact CB-CD2 4.01Å; L326-W416 HydrophobicContact CB-CG 3.87Å; L326-W416 HydrophobicContact CD1-CB 4Å; L326-W416 HydrophobicContact CD1-CD2 4.43Å; L326-W416 HydrophobicContact CD1-CG 4.17Å; L326-W416 HydrophobicContact CD2-CD2 4.01Å; L326-W416 HydrophobicContact CD2-CE3 3.93Å; L326-W416 HydrophobicContact CD2-CH2 4.36Å; L326-W416 HydrophobicContact CD2-CZ2 4.47Å; L326-W416 HydrophobicContact CD2-CZ3 4.11Å; L326-W416 HydrophobicContact CG-CD2 4.37Å; L326-W416 HydrophobicContact CG-CG 4.41Å; M340-W416 HydrophobicContact CE-CH2 4.15Å; A412-W416 PolarHBondContact O-N 2.95Å; L413-W416 HydrophobicContact CD2-CE3 4.39Å; L413-W416 WeakPolarHBondContact O-CB 2.91Å; L413-W416 PolarHBondContact O-N 3.46Å; E414-W416 VanDerWaalsContact C-N 3.27Å; E414-W416 PolarHBondContact O-N 3.14Å; W416-C419 PolarHBondContact O-SG 3.33Å; W416-L458 HydrophobicContact CH2-CB 3.88Å; W416-L458 HydrophobicContact CH2-CD2 3.85Å; W416-L458 HydrophobicContact CH2-CG 4.32Å; W416-L458 HydrophobicContact CZ2-CB 4.18Å; W416-L458 HydrophobicContact CZ2-CD2 3.7Å
417	G	92.7	Very high	94.9	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.01	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.4	22.2	176.8	0	0	0	0	0	114.8	P317 Q318 N319 G415	P317-G417 CarbonylContact C-O 3.54Å; P317-G417 WeakPolarHBondContact CA-O 3.39Å; Q318-G417 PolarHBondContact N-O 2.78Å; N319-G417 PolarHBondContact N-O 2.8Å; N319-G417 WeakPolarHBondContact O-CA 3.16Å; G415-G417 PolarHBondContact O-N 2.86Å
418	V	93.8	Very high	94.6	Very high	79 Å²	79	36 Å²	36	48%	0.479	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.3	49.7	-178.3	-161.3	0	0	0	0	111.1	Q318 E414	Q318-V418 HydrophobicContact CB-CB 4.46Å; Q318-V418 HydrophobicContact CG-CB 4.46Å; E414-V418 WeakPolarHBondContact O-CA 3.5Å; E414-V418 PolarHBondContact O-N 3.05Å
419	C	94.5	Very high	94.3	Very high	10 Å²	10	34.3 Å²	34.3	7%	0.068	22%	0.218	C	C	.	.			trans	-73.4	150.9	176	-71.2	0	0	0	0	111.3	I313 L413 E414 W416	I313-C419 HydrophobicContact CG2-CB 4.33Å; L413-C419 WeakPolarHBondContact O-CB 3.02Å; E414-C419 PolarHBondContact O-N 3.37Å; E414-C419 VanDerWaalsContact O-N 3.17Å; W416-C419 PolarHBondContact O-SG 3.33Å
420	G	95	Very high	94	Very high	19 Å²	19	37.9 Å²	37.9	20%	0.196	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	141.3	162.2	0	0	0	0	0	109.5	I313 T314 L315	I313-G420 CarbonylContact C-O 3.58Å; I313-G420 WeakPolarHBondContact CA-O 3.36Å; T314-G420 PolarHBondContact N-O 2.96Å; T314-G420 WeakPolarHBondContact OG1-CA 3.27Å; T314-G420 PolarHBondContact OG1-O 3.07Å; L315-G420 PolarHBondContact N-O 2.87Å; L315-G420 PolarHBondContact O-N 3.03Å; L315-G420 VanDerWaalsContact O-N 3.16Å
421	T	96	Very high	93.8	Very high	19 Å²	19	34.8 Å²	34.8	12%	0.117	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	158.6	178.8	70.2	0	0	0	0	112.5	V311 A312 T314 K410 L413 E414	V311-T421 HydrophobicContact CG1-CG2 4.1Å; A312-T421 CarbonylContact O-C 3.43Å; A312-T421 VanDerWaalsContact O-CA 3.28Å; A312-T421 WeakPolarHBondContact O-CA 3.41Å; T314-T421 PolarHBondContact OG1-N 3.36Å; K410-T421 WeakPolarHBondContact CE-OG1 3.32Å; K410-T421 VanDerWaalsContact CG-OG1 3.26Å; K410-T421 WeakPolarHBondContact CG-OG1 3.36Å; L413-T421 HydrophobicContact CB-CG2 4Å; E414-T421 HydrophobicContact CG-CG2 3.63Å; E414-T421 PolarHBondContact OE1-OG1 3.29Å
422	T	95.8	Very high	93.7	Very high	32 Å²	32	31.3 Å²	31.3	20%	0.196	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	147.3	170.2	-174.2	0	0	0	0	111	V311 A312 T314 T424 I446	V311-T422 WeakPolarHBondContact CA-O 3.42Å; A312-T422 HydrophobicContact CB-CG2 4.1Å; A312-T422 PolarHBondContact N-O 3.24Å; A312-T422 PolarHBondContact O-N 2.96Å; T314-T422 HydrophobicContact CG2-CG2 3.52Å; T422-T424 PolarHBondContact OG1-N 2.92Å; T422-T424 VanDerWaalsContact OG1-N 3.11Å; T422-I446 HydrophobicContact CG2-CD1 3.83Å
423	T	94.9	Very high	93.5	Very high	34 Å²	34	31 Å²	31	21%	0.209	19%	0.192	C	C	.	.			trans	-112.1	2.6	169.9	57.4	0	0	0	0	112	S299 V311 Q406 K410 F425	S299-T423 WeakPolarHBondContact CB-O 3.28Å; V311-T423 HydrophobicContact CG2-CG2 4.2Å; Q406-T423 HydrophobicContact CG-CG2 4.17Å; K410-T423 HydrophobicContact CD-CG2 4.26Å; T423-F425 VanDerWaalsContact O-CD2 3.32Å; T423-F425 WeakPolarHBondContact O-CD2 3.38Å; T423-F425 WeakPolarHBondContact O-CE2 3.41Å
424	T	91.7	Very high	93.4	Very high	102 Å²	102	31.2 Å²	31.2	63%	0.626	19%	0.193	S	C	*	.			trans	-99.1	123.2	-177.4	-56.2	0	0	0	0	109.9	T422	T422-T424 PolarHBondContact OG1-N 2.92Å; T422-T424 VanDerWaalsContact OG1-N 3.11Å
425	F	89.6	Confident	93.4	Very high	16 Å²	16	27.9 Å²	27.9	7%	0.07	18%	0.178	C	C	.	.			trans	-128.4	143.5	-178	-57.2	-79.5	0	0	0	110.2	M310 A312 T423 A431 P445	M310-F425 HydrophobicContact CB-CD2 4.32Å; M310-F425 HydrophobicContact CB-CE2 3.51Å; M310-F425 HydrophobicContact CB-CZ 3.81Å; A312-F425 HydrophobicContact CB-CE1 3.65Å; A312-F425 HydrophobicContact CB-CZ 3.89Å; T423-F425 VanDerWaalsContact O-CD2 3.32Å; T423-F425 WeakPolarHBondContact O-CD2 3.38Å; T423-F425 WeakPolarHBondContact O-CE2 3.41Å; F425-A431 HydrophobicContact CB-CB 4.05Å; F425-A431 HydrophobicContact CD1-CB 3.43Å; F425-A431 VanDerWaalsContact CD1-CB 3.43Å; F425-A431 HydrophobicContact CD2-CB 3.99Å; F425-A431 HydrophobicContact CE1-CB 3.82Å; F425-A431 HydrophobicContact CE2-CB 4.34Å; F425-A431 HydrophobicContact CG-CB 3.52Å; F425-A431 HydrophobicContact CZ-CB 4.26Å; F425-P445 HydrophobicContact CD1-CG 4.04Å; F425-P445 HydrophobicContact CE1-CG 3.99Å
426	G	86.7	Confident	93.4	Very high	55 Å²	55	26.3 Å²	26.3	57%	0.567	16%	0.161	S	C	*	.	S	Bend	trans	-63.6	-48.5	172.2	0	0	0	0	0	111.4
427	D	89.5	Confident	93.4	Very high	48 Å²	48	26.3 Å²	26.3	26%	0.257	16%	0.161	S	C	.	.			trans	-120.9	103	170.9	-178	2.6	0	0	0	110.2	Y29 R429 R430 A431	Y29-D427 WeakPolarHBondContact CE1-OD2 3.43Å; Y29-D427 VanDerWaalsContact CZ-OD2 3.3Å; Y29-D427 PolarHBondContact OH-OD2 3Å; D427-R429 VanDerWaalsContact C-N 3.26Å; D427-R429 PolarHBondContact O-N 2.99Å; D427-R429 WeakPolarHBondContact OD1-CB 3.35Å; D427-R429 PolarHBondContact OD1-N 3.33Å; D427-R429 IonicContact OD1-NE 3.69Å; D427-R429 PolarHBondContact OD1-NE 3.19Å; D427-R429 IonicContact OD1-NH2 3.59Å; D427-R430 HydrophobicContact CB-CB 4.09Å; D427-R430 PolarHBondContact O-N 3.49Å; D427-A431 PolarHBondContact O-N 3.28Å
428	P	92.5	Very high	93.5	Very high	13 Å²	13	26.3 Å²	26.3	8%	0.084	16%	0.161	C	C	.	.	H	α-helix	trans	-56	-39.4	176.7	-25.2	33.8	0	0	0	112.5	T296 G298 I301 M310 R430 A431 W432	T296-P428 HydrophobicContact CG2-CB 4.35Å; G298-P428 WeakPolarHBondContact O-CG 3.46Å; I301-P428 HydrophobicContact CD1-CB 4.15Å; I301-P428 WeakPolarHBondContact CD1-O 3.15Å; I301-P428 HydrophobicContact CG1-CB 4.1Å; M310-P428 HydrophobicContact CE-CB 3.97Å; M310-P428 WeakPolarHBondContact CE-O 3.47Å; P428-R430 VanDerWaalsContact C-N 3.33Å; P428-R430 PolarHBondContact O-N 2.68Å; P428-A431 WeakPolarHBondContact O-CB 3.18Å; P428-A431 PolarHBondContact O-N 3.04Å; P428-A431 VanDerWaalsContact O-N 3.11Å; P428-W432 PolarHBondContact O-N 2.88Å
429	R	92.3	Very high	93.4	Very high	39 Å²	39	22.5 Å²	22.5	15%	0.147	14%	0.138	C	C	.	.	H	α-helix	trans	-62.2	-43	-176.9	-67.8	167	-66.4	-171.9	1.2	110.7	V22 Y29 T296 I301 D427 W432 V433	V22-R429 PolarHBondContact O-NH2 2.94Å; Y29-R429 HydrophobicContact CD1-CB 4.32Å; Y29-R429 HydrophobicContact CE1-CB 3.73Å; Y29-R429 PolarHBondContact OH-NE 2.84Å; Y29-R429 PolarHBondContact OH-NH2 3.13Å; T296-R429 HydrophobicContact CG2-CG 3.63Å; I301-R429 HydrophobicContact CD1-CG 4.49Å; D427-R429 VanDerWaalsContact C-N 3.26Å; D427-R429 PolarHBondContact O-N 2.99Å; D427-R429 WeakPolarHBondContact OD1-CB 3.35Å; D427-R429 PolarHBondContact OD1-N 3.33Å; D427-R429 IonicContact OD1-NE 3.69Å; D427-R429 PolarHBondContact OD1-NE 3.19Å; D427-R429 IonicContact OD1-NH2 3.59Å; R429-W432 PolarHBondContact O-N 2.91Å; R429-V433 WeakPolarHBondContact O-CB 3.4Å; R429-V433 VanDerWaalsContact O-CG2 3.3Å; R429-V433 WeakPolarHBondContact O-CG2 3.36Å; R429-V433 PolarHBondContact O-N 3.1Å
430	R	92.4	Very high	93.2	Very high	74 Å²	74	22 Å²	22	28%	0.279	14%	0.135	S	C	.	.	H	α-helix	trans	-62.8	-42.7	174.9	-164.2	66.5	168.9	178.2	-4.9	111.4	Y29 D427 P428 W432 V433 N434 S440 S442	Y29-R430 HydrophobicContact CD1-CB 4.33Å; Y29-R430 HydrophobicContact CE1-CB 3.95Å; Y29-R430 PolarHBondContact O-NH1 3.48Å; D427-R430 HydrophobicContact CB-CB 4.09Å; D427-R430 PolarHBondContact O-N 3.49Å; P428-R430 VanDerWaalsContact C-N 3.33Å; P428-R430 PolarHBondContact O-N 2.68Å; R430-W432 VanDerWaalsContact C-N 3.32Å; R430-W432 PolarHBondContact O-N 2.88Å; R430-V433 PolarHBondContact O-N 2.82Å; R430-N434 VanDerWaalsContact O-CB 3.27Å; R430-N434 WeakPolarHBondContact O-CB 3.36Å; R430-N434 PolarHBondContact O-N 3.43Å; R430-N434 PolarHBondContact O-ND2 3.38Å; R430-S440 PolarHBondContact NH2-OG 3.38Å; R430-S442 PolarHBondContact NE-OG 3.37Å; R430-S442 PolarHBondContact NH2-OG 3.25Å
431	A	93.1	Very high	93	Very high	5 Å²	5	22.7 Å²	22.7	4%	0.041	13%	0.133	C	C	.	.	H	α-helix	trans	-60.9	-41.2	177.3	0	0	0	0	0	112	M310 F425 D427 P428 N434	M310-A431 HydrophobicContact CE-CB 4.44Å; M310-A431 HydrophobicContact CG-CB 4.41Å; F425-A431 HydrophobicContact CB-CB 4.05Å; F425-A431 HydrophobicContact CD1-CB 3.43Å; F425-A431 VanDerWaalsContact CD1-CB 3.43Å; F425-A431 HydrophobicContact CD2-CB 3.99Å; F425-A431 HydrophobicContact CE1-CB 3.82Å; F425-A431 HydrophobicContact CE2-CB 4.34Å; F425-A431 HydrophobicContact CG-CB 3.52Å; F425-A431 HydrophobicContact CZ-CB 4.26Å; D427-A431 PolarHBondContact O-N 3.28Å; P428-A431 WeakPolarHBondContact O-CB 3.18Å; P428-A431 PolarHBondContact O-N 3.04Å; P428-A431 VanDerWaalsContact O-N 3.11Å; A431-N434 PolarHBondContact O-N 2.91Å
432	W	94.8	Very high	92.6	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-68.3	-47.1	176	179	56.7	0	0	0	113	F26 L249 P294 I301 A303 H308 M310 P428 R429 R430 N434 T435	F26-W432 HydrophobicContact CE1-CZ3 4.46Å; F26-W432 HydrophobicContact CE2-CE3 4.5Å; F26-W432 HydrophobicContact CE2-CZ3 4.2Å; F26-W432 HydrophobicContact CZ-CE3 4.24Å; F26-W432 AromaticContact CZ-CZ3 3.61Å; F26-W432 HydrophobicContact CZ-CZ3 3.61Å; L249-W432 HydrophobicContact CD2-CH2 3.55Å; L249-W432 HydrophobicContact CD2-CZ2 3.92Å; L249-W432 HydrophobicContact CD2-CZ3 3.9Å; P294-W432 HydrophobicContact CB-CZ3 4.04Å; P294-W432 HydrophobicContact CG-CZ3 4.11Å; I301-W432 HydrophobicContact CD1-CB 3.27Å; I301-W432 HydrophobicContact CD1-CD2 4.1Å; I301-W432 HydrophobicContact CD1-CE3 4.12Å; I301-W432 HydrophobicContact CD1-CG 3.8Å; I301-W432 HydrophobicContact CG2-CD2 4.5Å; I301-W432 HydrophobicContact CG2-CE3 4.2Å; I301-W432 HydrophobicContact CG2-CZ3 4.38Å; A303-W432 HydrophobicContact CB-CH2 3.71Å; A303-W432 HydrophobicContact CB-CZ2 4.18Å; A303-W432 HydrophobicContact CB-CZ3 4.4Å; H308-W432 AromaticContact CD2-CZ2 3.9Å; H308-W432 AromaticContact CD2-NE1 3.95Å; H308-W432 AromaticContact CE1-NE1 3.8Å; H308-W432 AromaticContact CG-CE2 3.94Å; H308-W432 AromaticContact CG-NE1 3.43Å; H308-W432 AromaticContact ND1-NE1 3.32Å; H308-W432 PolarHBondContact ND1-NE1 3.07Å; H308-W432 AromaticContact NE2-CZ2 3.75Å; M310-W432 HydrophobicContact CE-CB 4.26Å; M310-W432 HydrophobicContact CG-CB 4.21Å; M310-W432 HydrophobicContact SD-CB 3.78Å; M310-W432 HydrophobicContact SD-CG 4.31Å; P428-W432 PolarHBondContact O-N 2.88Å; R429-W432 PolarHBondContact O-N 2.91Å; R430-W432 VanDerWaalsContact C-N 3.32Å; R430-W432 PolarHBondContact O-N 2.88Å; W432-N434 PolarHBondContact O-N 3.13Å; W432-T435 WeakPolarHBondContact O-CA 3.04Å; W432-T435 WeakPolarHBondContact O-CB 3.17Å; W432-T435 PolarHBondContact O-N 3.44Å; W432-T435 PolarHBondContact O-OG1 2.98Å
433	V	94.5	Very high	92.2	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-61.4	-32	176.6	172.3	0	0	0	0	111.5	F26 Y29 F290 R429 R430 T435 V436 A439	F26-V433 HydrophobicContact CE2-CG2 3.95Å; F26-V433 HydrophobicContact CZ-CG2 4.15Å; Y29-V433 HydrophobicContact CD1-CG2 4.39Å; Y29-V433 HydrophobicContact CG-CG2 4.49Å; F290-V433 HydrophobicContact CE1-CG1 4.17Å; F290-V433 HydrophobicContact CE1-CG2 3.77Å; F290-V433 HydrophobicContact CZ-CG1 4.09Å; F290-V433 HydrophobicContact CZ-CG2 4.29Å; R429-V433 WeakPolarHBondContact O-CB 3.4Å; R429-V433 VanDerWaalsContact O-CG2 3.3Å; R429-V433 WeakPolarHBondContact O-CG2 3.36Å; R429-V433 PolarHBondContact O-N 3.1Å; R430-V433 PolarHBondContact O-N 2.82Å; V433-T435 PolarHBondContact O-N 3.44Å; V433-T435 VanDerWaalsContact O-N 3.11Å; V433-V436 WeakPolarHBondContact O-CB 3.46Å; V433-V436 PolarHBondContact O-N 3.41Å; V433-A439 HydrophobicContact CG1-CB 4.05Å
434	N	94.3	Very high	91.8	Very high	6 Å²	6	21.5 Å²	21.5	3%	0.032	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	1.7	171.5	-76.3	-15.9	0	0	0	114.2	R339 R430 A431 W432 S442 S443	R339-N434 WeakPolarHBondContact CB-O 3.19Å; R339-N434 WeakPolarHBondContact CD-O 3.45Å; R430-N434 VanDerWaalsContact O-CB 3.27Å; R430-N434 WeakPolarHBondContact O-CB 3.36Å; R430-N434 PolarHBondContact O-N 3.43Å; R430-N434 PolarHBondContact O-ND2 3.38Å; A431-N434 PolarHBondContact O-N 2.91Å; W432-N434 PolarHBondContact O-N 3.13Å; N434-S442 PolarHBondContact OD1-O 3.02Å; N434-S442 PolarHBondContact OD1-OG 3.29Å; N434-S443 PolarHBondContact ND2-O 3.15Å
435	T	96	Very high	91.6	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-14.6	165.7	72.8	0	0	0	0	112.9	R337 V391 T393 W432 V433	R337-T435 VanDerWaalsContact CD-O 3.26Å; R337-T435 WeakPolarHBondContact CD-O 3.38Å; R337-T435 PolarHBondContact NE-O 2.93Å; R337-T435 PolarHBondContact NH2-OG1 2.9Å; R337-T435 VanDerWaalsContact NH2-OG1 3.1Å; V391-T435 HydrophobicContact CB-CG2 4.17Å; V391-T435 HydrophobicContact CG1-CG2 3.68Å; T393-T435 HydrophobicContact CG2-CG2 3.93Å; T393-T435 VanDerWaalsContact CG2-OG1 3.25Å; T393-T435 WeakPolarHBondContact CG2-OG1 3.34Å; W432-T435 WeakPolarHBondContact O-CA 3.04Å; W432-T435 WeakPolarHBondContact O-CB 3.17Å; W432-T435 PolarHBondContact O-N 3.44Å; W432-T435 PolarHBondContact O-OG1 2.98Å; V433-T435 PolarHBondContact O-N 3.44Å; V433-T435 VanDerWaalsContact O-N 3.11Å
436	V	96	Very high	91.7	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.13	C	C	.	.	S	Bend	trans	-80.2	136.4	-175.4	-177.7	0	0	0	0	109.2	I245 Q248 L249 V433 A438 A439	I245-V436 HydrophobicContact CG2-CG1 4.15Å; Q248-V436 HydrophobicContact CB-CG1 4.18Å; Q248-V436 VanDerWaalsContact OE1-CA 3.31Å; L249-V436 HydrophobicContact CD2-CG2 3.85Å; L249-V436 HydrophobicContact CG-CG1 4.46Å; V433-V436 WeakPolarHBondContact O-CB 3.46Å; V433-V436 PolarHBondContact O-N 3.41Å; V436-A438 PolarHBondContact O-N 3.44Å; V436-A439 HydrophobicContact CB-CB 3.88Å; V436-A439 HydrophobicContact CG1-CB 3.75Å
437	L	95.8	Very high	92	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.4	129.6	172.9	172.2	64	0	0	0	109.8	V65 V112 W163 T165 E244 I245 A439	V65-L437 HydrophobicContact CG1-CD1 3.96Å; V65-L437 HydrophobicContact CG2-CD1 4.48Å; V112-L437 HydrophobicContact CG2-CD1 4.46Å; W163-L437 HydrophobicContact CB-CD1 3.47Å; W163-L437 VanDerWaalsContact CB-CD1 3.47Å; W163-L437 HydrophobicContact CB-CD2 4.49Å; W163-L437 HydrophobicContact CD2-CD1 4.3Å; W163-L437 HydrophobicContact CD2-CD2 3.99Å; W163-L437 HydrophobicContact CG-CD1 3.8Å; W163-L437 HydrophobicContact CG-CD2 3.91Å; W163-L437 HydrophobicContact CG-CG 4.46Å; T165-L437 WeakPolarHBondContact OG1-CD1 3.31Å; E244-L437 HydrophobicContact CB-CD2 3.82Å; I245-L437 VanDerWaalsContact CG1-O 3.24Å; I245-L437 WeakPolarHBondContact CG1-O 3.11Å; L437-A439 PolarHBondContact O-N 3.18Å
438	A	94.5	Very high	92.2	Very high	1 Å²	1	20 Å²	20	1%	0.008	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	0.3	166.9	0	0	0	0	0	118.3	L63 V65 T165 W167 V241 I245 V436 S440	L63-A438 HydrophobicContact CD1-CB 4.21Å; L63-A438 HydrophobicContact CD2-CB 3.83Å; V65-A438 HydrophobicContact CG2-CB 4.04Å; T165-A438 HydrophobicContact CG2-CB 4.16Å; W167-A438 VanDerWaalsContact CH2-O 3.31Å; W167-A438 WeakPolarHBondContact CH2-O 3.41Å; V241-A438 HydrophobicContact CG1-CB 4.07Å; I245-A438 HydrophobicContact CD1-CB 4.09Å; V436-A438 PolarHBondContact O-N 3.44Å; A438-S440 PolarHBondContact O-N 3.33Å
439	A	91.7	Very high	92.3	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.117	C	C	.	.	S	Bend	trans	-70.7	-36.2	-167.8	0	0	0	0	0	112.7	C30 D31 F290 V433 V436 L437	C30-A439 VanDerWaalsContact CA-O 3.3Å; C30-A439 WeakPolarHBondContact CA-O 3.31Å; C30-A439 PolarHBondContact SG-O 2.79Å; C30-A439 VanDerWaalsContact SG-O 3.37Å; D31-A439 PolarHBondContact N-O 3.04Å; F290-A439 HydrophobicContact CE2-CB 4.05Å; F290-A439 HydrophobicContact CZ-CB 3.78Å; V433-A439 HydrophobicContact CG1-CB 4.05Å; V436-A439 HydrophobicContact CB-CB 3.88Å; V436-A439 HydrophobicContact CG1-CB 3.75Å; L437-A439 PolarHBondContact O-N 3.18Å
440	S	91.2	Very high	92.4	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.115	C	C	.	.			trans	-139.1	137.5	-176.8	178	0	0	0	0	110.9	D31 R339 R430 A438 S442	D31-S440 PolarHBondContact OD2-OG 3.42Å; R339-S440 PolarHBondContact NH1-O 2.72Å; R339-S440 PolarHBondContact NH2-O 2.62Å; R430-S440 PolarHBondContact NH2-OG 3.38Å; A438-S440 PolarHBondContact O-N 3.33Å; S440-S442 WeakPolarHBondContact OG-CB 3.3Å; S440-S442 PolarHBondContact OG-N 3.31Å; S440-S442 PolarHBondContact OG-OG 3.45Å
441	H	90.3	Very high	92.4	Very high	33 Å²	33	17.6 Å²	17.6	15%	0.153	11%	0.105	C	C	.	.	S	Bend	trans	-70.5	-21.8	169.3	167.4	-93.4	0	0	0	111.1	D31 Y61 K108 W167 S443	D31-H441 PolarHBondContact OD2-N 2.79Å; Y61-H441 AromaticContact CD1-CD2 3.46Å; Y61-H441 VanDerWaalsContact CD1-CD2 3.46Å; Y61-H441 WeakPolarHBondContact CD1-CD2 3.38Å; Y61-H441 AromaticContact CD1-CG 3.97Å; Y61-H441 AromaticContact CD1-NE2 3.69Å; Y61-H441 AromaticContact CE1-CD2 3.41Å; Y61-H441 VanDerWaalsContact CE1-CD2 3.41Å; Y61-H441 WeakPolarHBondContact CE1-CD2 3.27Å; Y61-H441 AromaticContact CE1-CE1 3.43Å; Y61-H441 VanDerWaalsContact CE1-CE1 3.43Å; Y61-H441 WeakPolarHBondContact CE1-CE1 3.44Å; Y61-H441 AromaticContact CE1-CG 3.9Å; Y61-H441 AromaticContact CE1-ND1 3.89Å; Y61-H441 AromaticContact CE1-NE2 3.1Å; Y61-H441 WeakPolarHBondContact CE1-NE2 3.45Å; Y61-H441 AromaticContact CZ-CE1 3.46Å; Y61-H441 VanDerWaalsContact CZ-CE1 3.46Å; Y61-H441 AromaticContact CZ-ND1 3.74Å; Y61-H441 AromaticContact CZ-NE2 3.67Å; Y61-H441 PolarHBondContact OH-CE1 3.39Å; K108-H441 WeakPolarHBondContact CE-O 3.38Å; K108-H441 PolarHBondContact NZ-O 3.21Å; W167-H441 HydrophobicContact CE3-CB 4.07Å; W167-H441 HydrophobicContact CH2-CB 4.31Å; W167-H441 HydrophobicContact CZ3-CB 3.96Å; H441-S443 PolarHBondContact O-N 2.83Å
442	S	86.4	Confident	92.5	Very high	26 Å²	26	17.4 Å²	17.4	18%	0.182	10%	0.103	C	C	.	.			trans	-61.9	143.7	174.1	65.4	0	0	0	0	112.2	R339 R430 N434 S440	R339-S442 PolarHBondContact NH2-O 3.29Å; R430-S442 PolarHBondContact NE-OG 3.37Å; R430-S442 PolarHBondContact NH2-OG 3.25Å; N434-S442 PolarHBondContact OD1-O 3.02Å; N434-S442 PolarHBondContact OD1-OG 3.29Å; S440-S442 WeakPolarHBondContact OG-CB 3.3Å; S440-S442 PolarHBondContact OG-N 3.31Å; S440-S442 PolarHBondContact OG-OG 3.45Å
443	S	89	Confident	92.3	Very high	24 Å²	24	18.7 Å²	18.7	17%	0.168	11%	0.112	C	C	.	.			trans	-93.1	174.5	175.7	-53.3	0	0	0	0	111.5	D341 M343 T389 N434 H441	D341-S443 VanDerWaalsContact OD2-CA 3.26Å; D341-S443 WeakPolarHBondContact OD2-CA 3.45Å; D341-S443 WeakPolarHBondContact OD2-CB 3.25Å; M343-S443 WeakPolarHBondContact CE-OG 3.26Å; M343-S443 PolarHBondContact SD-OG 2.79Å; T389-S443 WeakPolarHBondContact OG1-CB 3.47Å; N434-S443 PolarHBondContact ND2-O 3.15Å; H441-S443 PolarHBondContact O-N 2.83Å
444	G	86.7	Confident	92.3	Very high	9 Å²	9	22.8 Å²	22.8	9%	0.093	13%	0.131	C	C	.	.			trans	-56.7	162.7	175.3	0	0	0	0	0	113.6	T389 I446	T389-G444 WeakPolarHBondContact CG2-O 3.17Å; T389-G444 PolarHBondContact OG1-N 2.94Å; G444-I446 VanDerWaalsContact C-N 3.25Å; G444-I446 PolarHBondContact O-N 3.2Å
445	P	86	Confident	92.3	Very high	74 Å²	74	22.5 Å²	22.5	48%	0.481	13%	0.129	S	C	.	.	S	Bend	trans	-70.2	-18.5	-170.5	27	-33.9	0	0	0	114.3	A312 F425	A312-P445 HydrophobicContact CB-CG 4.38Å; F425-P445 HydrophobicContact CD1-CG 4.04Å; F425-P445 HydrophobicContact CE1-CG 3.99Å
446	I	91.9	Very high	92.2	Very high	47 Å²	47	22.7 Å²	22.7	24%	0.241	13%	0.13	C	C	.	.	S	Bend	trans	-120.8	104.9	-171.8	-54.6	172.8	0	0	0	109.8	T314 T422 G444 L448	T314-I446 HydrophobicContact CG2-CD1 3.29Å; T422-I446 HydrophobicContact CG2-CD1 3.83Å; G444-I446 VanDerWaalsContact C-N 3.25Å; G444-I446 PolarHBondContact O-N 3.2Å; I446-L448 HydrophobicContact CG2-CD2 4.26Å; I446-L448 PolarHBondContact O-N 3.37Å
447	P	93.2	Very high	92.1	Very high	59 Å²	59	23.6 Å²	23.6	38%	0.383	14%	0.136	S	C	.	.			trans	-75.2	122.9	174.4	29.5	-32.5	0	0	0	111.1	I387 Y449	I387-P447 HydrophobicContact CG2-CB 3.67Å; P447-Y449 HydrophobicContact CB-CE2 4.45Å; P447-Y449 WeakPolarHBondContact O-CE2 3.36Å
448	L	94.6	Very high	92	Very high	10 Å²	10	23.9 Å²	23.9	5%	0.052	14%	0.138	C	C	.	.	B	Isolated β-bridge	trans	-96.9	158.1	168.3	-46.7	176.7	0	0	0	108.9	I313 P316 I387 M388 I390 I446 P450	I313-L448 HydrophobicContact CG2-CD1 4.02Å; P316-L448 HydrophobicContact CB-CD1 4.32Å; I387-L448 CarbonylContact C-O 3.5Å; I387-L448 WeakPolarHBondContact CA-O 3.32Å; M388-L448 HydrophobicContact CB-CB 4.39Å; M388-L448 PolarHBondContact N-O 3.23Å; M388-L448 WeakPolarHBondContact O-CA 3.4Å; M388-L448 WeakPolarHBondContact O-CB 3.48Å; M388-L448 WeakPolarHBondContact O-CG 3.48Å; M388-L448 PolarHBondContact O-N 2.83Å; I390-L448 HydrophobicContact CD1-CD1 4.39Å; I446-L448 HydrophobicContact CG2-CD2 4.26Å; I446-L448 PolarHBondContact O-N 3.37Å; L448-P450 WeakPolarHBondContact O-CD 3.22Å
449	Y	94	Very high	92.1	Very high	50 Å²	50	24 Å²	24	20%	0.196	14%	0.139	C	C	.	.			trans	-126.3	57.8	-176.1	-55.9	-85.3	0	0	0	113.3	A349 L350 C386 I387 P447	A349-Y449 HydrophobicContact CB-CE1 3.96Å; L350-Y449 HydrophobicContact CD1-CD1 3.9Å; L350-Y449 HydrophobicContact CD1-CD2 4.38Å; L350-Y449 HydrophobicContact CD1-CE1 4.47Å; L350-Y449 HydrophobicContact CD1-CG 3.84Å; L350-Y449 HydrophobicContact CD2-CD1 4.06Å; L350-Y449 HydrophobicContact CD2-CD2 3.85Å; L350-Y449 HydrophobicContact CD2-CE1 3.88Å; L350-Y449 HydrophobicContact CD2-CE2 3.7Å; L350-Y449 HydrophobicContact CD2-CG 4.03Å; L350-Y449 HydrophobicContact CG-CD1 3.66Å; L350-Y449 HydrophobicContact CG-CD2 4.29Å; L350-Y449 HydrophobicContact CG-CE1 3.73Å; L350-Y449 HydrophobicContact CG-CE2 4.39Å; L350-Y449 HydrophobicContact CG-CG 3.95Å; C386-Y449 VanDerWaalsContact O-CA 3.31Å; C386-Y449 WeakPolarHBondContact O-CA 3.26Å; I387-Y449 HydrophobicContact CG1-CD1 4.42Å; I387-Y449 HydrophobicContact CG1-CE1 4.24Å; P447-Y449 HydrophobicContact CB-CE2 4.45Å; P447-Y449 WeakPolarHBondContact O-CE2 3.36Å
450	P	93.6	Very high	92.3	Very high	17 Å²	17	24.1 Å²	24.1	11%	0.11	14%	0.139	C	C	.	.			trans	-74.2	152	177.9	32.9	-35.9	0	0	0	111.9	C386 M388 L448 H454 A455	C386-P450 PolarHBondContact N-O 2.74Å; M388-P450 HydrophobicContact CB-CG 3.67Å; M388-P450 HydrophobicContact SD-CG 4.12Å; L448-P450 WeakPolarHBondContact O-CD 3.22Å; P450-H454 HydrophobicContact CB-CB 4.34Å; P450-A455 HydrophobicContact CB-CB 4.32Å; P450-A455 HydrophobicContact CG-CB 3.85Å
451	P	93.4	Very high	92.5	Very high	9 Å²	9	24.2 Å²	24.2	6%	0.058	14%	0.139	C	C	.	.	B	Isolated β-bridge	trans	-55.5	154.9	157.9	-20.4	32.9	0	0	0	111.3	I379 D383 S453 H454 A455	I379-P451 HydrophobicContact CG2-CB 3.98Å; I379-P451 HydrophobicContact CG2-CG 3.8Å; D383-P451 HydrophobicContact CB-CB 4.38Å; D383-P451 WeakPolarHBondContact OD2-CB 3.36Å; P451-S453 PolarHBondContact O-N 2.84Å; P451-H454 HydrophobicContact CB-CB 4.48Å; P451-H454 PolarHBondContact O-N 2.7Å; P451-A455 PolarHBondContact O-N 2.81Å
452	L	94	Very high	92.6	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-61.9	-45.1	-175.6	175.9	60.6	0	0	0	111.1	M98 W102 L342 D383 P384 H454 A455 L456	M98-L452 HydrophobicContact CB-CD2 4.04Å; M98-L452 HydrophobicContact CE-CD1 4.42Å; W102-L452 HydrophobicContact CB-CD2 4.15Å; W102-L452 HydrophobicContact CG-CD1 4.22Å; W102-L452 HydrophobicContact CG-CD2 4.37Å; L342-L452 HydrophobicContact CD2-CD1 3.76Å; D383-L452 WeakPolarHBondContact OD1-CA 3.07Å; D383-L452 WeakPolarHBondContact OD1-CB 3.24Å; D383-L452 PolarHBondContact OD1-N 3.08Å; P384-L452 WeakPolarHBondContact O-CB 3.47Å; P384-L452 PolarHBondContact O-N 3.44Å; L452-H454 VanDerWaalsContact C-N 3.32Å; L452-H454 PolarHBondContact O-N 3.18Å; L452-A455 WeakPolarHBondContact O-CB 3.47Å; L452-A455 PolarHBondContact O-N 3.48Å; L452-A455 VanDerWaalsContact O-N 3.13Å; L452-L456 HydrophobicContact CD1-CD1 4.05Å; L452-L456 HydrophobicContact CD1-CD2 4.45Å; L452-L456 HydrophobicContact CD1-CG 4.02Å; L452-L456 HydrophobicContact CG-CD1 3.93Å; L452-L456 HydrophobicContact CG-CG 4.35Å; L452-L456 VanDerWaalsContact O-CG 3.27Å; L452-L456 WeakPolarHBondContact O-CG 3.49Å; L452-L456 PolarHBondContact O-N 3.41Å
453	S	92.1	Very high	93.1	Very high	27 Å²	27	22.2 Å²	22.2	19%	0.189	13%	0.127	C	C	.	.	H	α-helix	trans	-56.8	-45.4	177.6	62.1	0	0	0	0	112.3	D383 P451 A455 L456 S457	D383-S453 PolarHBondContact OD1-N 3.08Å; D383-S453 VanDerWaalsContact OD2-CB 3.29Å; D383-S453 WeakPolarHBondContact OD2-CB 3.43Å; D383-S453 PolarHBondContact OD2-N 3.46Å; D383-S453 PolarHBondContact OD2-OG 3.42Å; P451-S453 PolarHBondContact O-N 2.84Å; S453-A455 VanDerWaalsContact C-N 3.34Å; S453-A455 PolarHBondContact O-N 2.7Å; S453-L456 PolarHBondContact O-N 3.32Å; S453-S457 PolarHBondContact O-N 3.07Å
454	H	92.8	Very high	93.2	Very high	87 Å²	87	21.6 Å²	21.6	40%	0.403	12%	0.123	S	C	.	.	H	α-helix	trans	-66.7	-35	177.4	-70.9	-159.1	0	0	0	112.3	L320 P450 P451 L452 S457 L458	L320-H454 HydrophobicContact CD2-CB 4.48Å; P450-H454 HydrophobicContact CB-CB 4.34Å; P451-H454 HydrophobicContact CB-CB 4.48Å; P451-H454 PolarHBondContact O-N 2.7Å; L452-H454 VanDerWaalsContact C-N 3.32Å; L452-H454 PolarHBondContact O-N 3.18Å; H454-S457 PolarHBondContact O-OG 2.66Å; H454-L458 WeakPolarHBondContact O-CG 3.43Å
455	A	94.8	Very high	93.4	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-67.6	-42.2	175.3	0	0	0	0	0	111.4	L342 M388 P450 P451 L452 S453 S457 L458	L342-A455 HydrophobicContact CD1-CB 3.56Å; L342-A455 HydrophobicContact CD2-CB 4.21Å; M388-A455 HydrophobicContact CE-CB 3.85Å; M388-A455 WeakPolarHBondContact CE-O 3.31Å; M388-A455 HydrophobicContact SD-CB 4.11Å; P450-A455 HydrophobicContact CB-CB 4.32Å; P450-A455 HydrophobicContact CG-CB 3.85Å; P451-A455 PolarHBondContact O-N 2.81Å; L452-A455 WeakPolarHBondContact O-CB 3.47Å; L452-A455 PolarHBondContact O-N 3.48Å; L452-A455 VanDerWaalsContact O-N 3.13Å; S453-A455 VanDerWaalsContact C-N 3.34Å; S453-A455 PolarHBondContact O-N 2.7Å; A455-S457 VanDerWaalsContact C-N 3.31Å; A455-S457 PolarHBondContact O-N 3.2Å; A455-L458 PolarHBondContact O-N 2.99Å
456	L	94.5	Very high	93.7	Very high	3 Å²	3	18.1 Å²	18.1	2%	0.016	10%	0.099	C	C	.	.	H	α-helix	trans	-64.7	-34.7	178.7	-68.7	171	0	0	0	112.1	I91 L94 A95 M98 L452 S453 L458 F459 L461	I91-L456 HydrophobicContact CG2-CB 4.1Å; L94-L456 HydrophobicContact CB-CD1 3.85Å; A95-L456 HydrophobicContact CB-CD1 3.91Å; M98-L456 HydrophobicContact CE-CD2 4.16Å; M98-L456 HydrophobicContact SD-CD1 4.43Å; M98-L456 HydrophobicContact SD-CD2 3.98Å; L452-L456 HydrophobicContact CD1-CD1 4.05Å; L452-L456 HydrophobicContact CD1-CD2 4.45Å; L452-L456 HydrophobicContact CD1-CG 4.02Å; L452-L456 HydrophobicContact CG-CD1 3.93Å; L452-L456 HydrophobicContact CG-CG 4.35Å; L452-L456 VanDerWaalsContact O-CG 3.27Å; L452-L456 WeakPolarHBondContact O-CG 3.49Å; L452-L456 PolarHBondContact O-N 3.41Å; S453-L456 PolarHBondContact O-N 3.32Å; L456-L458 PolarHBondContact O-N 3.27Å; L456-F459 HydrophobicContact CD2-CD2 3.87Å; L456-F459 HydrophobicContact CD2-CE2 3.81Å; L456-F459 WeakPolarHBondContact O-CB 3.36Å; L456-F459 PolarHBondContact O-N 2.89Å; L456-F459 VanDerWaalsContact O-N 3.13Å; L456-L461 WeakPolarHBondContact O-CD1 3.05Å
457	S	93.1	Very high	93.7	Very high	19 Å²	19	17.1 Å²	17.1	13%	0.133	10%	0.096	C	C	.	.	H	α-helix	trans	-66.4	-19.3	178.8	74.1	0	0	0	0	114.4	S453 H454 A455	S453-S457 PolarHBondContact O-N 3.07Å; H454-S457 PolarHBondContact O-OG 2.66Å; A455-S457 VanDerWaalsContact C-N 3.31Å; A455-S457 PolarHBondContact O-N 3.2Å
458	L	95.3	Very high	93.8	Very high	6 Å²	6	14.3 Å²	14.3	3%	0.031	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-15.6	175.9	-60.8	179	0	0	0	113.3	P317 L320 F323 M340 M388 I390 W416 H454 A455 L456	P317-L458 HydrophobicContact CG-CD1 4.24Å; P317-L458 HydrophobicContact CG-CD2 3.81Å; L320-L458 HydrophobicContact CD2-CD2 4.39Å; F323-L458 WeakPolarHBondContact CD2-O 3.42Å; M340-L458 HydrophobicContact SD-CB 4.49Å; M388-L458 HydrophobicContact SD-CD1 3.92Å; I390-L458 HydrophobicContact CD1-CD1 4.21Å; W416-L458 HydrophobicContact CH2-CB 3.88Å; W416-L458 HydrophobicContact CH2-CD2 3.85Å; W416-L458 HydrophobicContact CH2-CG 4.32Å; W416-L458 HydrophobicContact CZ2-CB 4.18Å; W416-L458 HydrophobicContact CZ2-CD2 3.7Å; H454-L458 WeakPolarHBondContact O-CG 3.43Å; A455-L458 PolarHBondContact O-N 2.99Å; L456-L458 PolarHBondContact O-N 3.27Å
459	F	96.1	Very high	93.6	Very high	5 Å²	5	16.9 Å²	16.9	2%	0.022	9%	0.086	C	C	.	.	S	Bend	trans	-73.2	154.9	-178.5	-70.8	-26.2	0	0	0	112.7	I109 F111 M340 L342 M388 L456 L461	I109-F459 HydrophobicContact CD1-CE2 3.97Å; I109-F459 HydrophobicContact CD1-CZ 4.3Å; F111-F459 HydrophobicContact CB-CD1 3.91Å; F111-F459 HydrophobicContact CB-CE1 4.03Å; F111-F459 HydrophobicContact CD2-CB 4.14Å; F111-F459 AromaticContact CD2-CD1 3.53Å; F111-F459 HydrophobicContact CD2-CD1 3.53Å; F111-F459 AromaticContact CD2-CD2 3.39Å; F111-F459 HydrophobicContact CD2-CD2 3.39Å; F111-F459 AromaticContact CD2-CE1 3.62Å; F111-F459 HydrophobicContact CD2-CE1 3.62Å; F111-F459 AromaticContact CD2-CE2 3.46Å; F111-F459 HydrophobicContact CD2-CE2 3.46Å; F111-F459 VanDerWaalsContact CD2-CE2 3.46Å; F111-F459 AromaticContact CD2-CG 3.42Å; F111-F459 HydrophobicContact CD2-CG 3.42Å; F111-F459 VanDerWaalsContact CD2-CG 3.42Å; F111-F459 AromaticContact CD2-CZ 3.58Å; F111-F459 HydrophobicContact CD2-CZ 3.58Å; F111-F459 HydrophobicContact CE2-CB 4.15Å; F111-F459 HydrophobicContact CE2-CD1 4.26Å; F111-F459 AromaticContact CE2-CD2 3.29Å; F111-F459 HydrophobicContact CE2-CD2 3.29Å; F111-F459 HydrophobicContact CE2-CE1 4.49Å; F111-F459 AromaticContact CE2-CE2 3.57Å; F111-F459 HydrophobicContact CE2-CE2 3.57Å; F111-F459 AromaticContact CE2-CG 3.67Å; F111-F459 HydrophobicContact CE2-CG 3.67Å; F111-F459 HydrophobicContact CE2-CZ 4.18Å; F111-F459 HydrophobicContact CG-CB 4.39Å; F111-F459 AromaticContact CG-CD1 3.87Å; F111-F459 HydrophobicContact CG-CD1 3.87Å; F111-F459 HydrophobicContact CG-CD2 4.37Å; F111-F459 HydrophobicContact CG-CE1 4.17Å; F111-F459 AromaticContact CG-CG 3.98Å; F111-F459 HydrophobicContact CG-CG 3.98Å; F111-F459 HydrophobicContact CZ-CB 4.39Å; F111-F459 HydrophobicContact CZ-CD2 4.2Å; F111-F459 HydrophobicContact CZ-CG 4.39Å; M340-F459 HydrophobicContact CB-CD1 4.2Å; M340-F459 HydrophobicContact CB-CE1 3.75Å; M340-F459 HydrophobicContact SD-CD1 3.81Å; M340-F459 HydrophobicContact SD-CE1 4.24Å; L342-F459 HydrophobicContact CB-CZ 3.91Å; L342-F459 HydrophobicContact CD2-CE2 4.04Å; L342-F459 HydrophobicContact CD2-CZ 3.99Å; M388-F459 HydrophobicContact CE-CD1 4.24Å; M388-F459 HydrophobicContact CE-CE1 3.57Å; M388-F459 HydrophobicContact CE-CZ 4.02Å; L456-F459 HydrophobicContact CD2-CD2 3.87Å; L456-F459 HydrophobicContact CD2-CE2 3.81Å; L456-F459 WeakPolarHBondContact O-CB 3.36Å; L456-F459 PolarHBondContact O-N 2.89Å; L456-F459 VanDerWaalsContact O-N 3.13Å; F459-L461 HydrophobicContact CB-CD1 4.35Å; F459-L461 HydrophobicContact CB-CD2 4.05Å; F459-L461 HydrophobicContact CB-CG 3.84Å; F459-L461 PolarHBondContact O-N 3Å
460	P	95.6	Very high	93.3	Very high	2 Å²	2	17.8 Å²	17.8	1%	0.013	11%	0.111	C	C	.	.	S	Bend	trans	-73.3	52.2	179.1	32.5	-39.1	0	0	0	113.4	F111 F113 C162 F323 N462 R463	F111-P460 HydrophobicContact CD1-CG 3.7Å; F111-P460 HydrophobicContact CE1-CG 4.16Å; F113-P460 HydrophobicContact CB-CG 4.43Å; F113-P460 HydrophobicContact CD2-CB 4.18Å; C162-P460 VanDerWaalsContact SG-CG 3.54Å; F323-P460 HydrophobicContact CD1-CB 3.48Å; F323-P460 VanDerWaalsContact CD1-CB 3.48Å; F323-P460 HydrophobicContact CE1-CB 3.65Å; F323-P460 HydrophobicContact CG-CB 3.96Å; F323-P460 HydrophobicContact CZ-CB 4.28Å; P460-N462 PolarHBondContact O-N 3.38Å; P460-R463 HydrophobicContact CB-CG 3.77Å
461	L	94.2	Very high	93.1	Very high	1 Å²	1	23 Å²	23	1%	0.005	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-11.5	-173.1	-56.3	177.4	0	0	0	114	M75 L87 L90 I91 L94 F111 L224 L231 L456 F459	M75-L461 WeakPolarHBondContact CE-O 3.41Å; L87-L461 HydrophobicContact CD1-CB 3.94Å; L90-L461 HydrophobicContact CD2-CB 4.17Å; I91-L461 HydrophobicContact CG1-CD1 4.27Å; L94-L461 HydrophobicContact CD1-CD1 3.75Å; L94-L461 HydrophobicContact CD1-CD2 4.42Å; F111-L461 HydrophobicContact CE1-CD2 4.39Å; F111-L461 HydrophobicContact CZ-CD2 3.89Å; L224-L461 HydrophobicContact CD2-CD2 4.18Å; L231-L461 HydrophobicContact CD1-CD2 3.9Å; L231-L461 WeakPolarHBondContact CD2-O 3.42Å; L456-L461 WeakPolarHBondContact O-CD1 3.05Å; F459-L461 HydrophobicContact CB-CD1 4.35Å; F459-L461 HydrophobicContact CB-CD2 4.05Å; F459-L461 HydrophobicContact CB-CG 3.84Å; F459-L461 PolarHBondContact O-N 3Å
462	N	94.1	Very high	93.1	Very high	6 Å²	6	23 Å²	23	3%	0.032	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.7	19.8	-178.1	-159.2	20.7	0	0	0	113.5	M75 E77 L87 N324 P460	M75-N462 HydrophobicContact CE-CB 4.33Å; M75-N462 PolarHBondContact N-OD1 3.48Å; M75-N462 PolarHBondContact O-ND2 3.12Å; E77-N462 WeakPolarHBondContact CG-ND2 3.32Å; E77-N462 PolarHBondContact OE1-ND2 2.61Å; L87-N462 HydrophobicContact CD1-CB 4.39Å; N324-N462 PolarHBondContact ND2-O 3.23Å; P460-N462 PolarHBondContact O-N 3.38Å
463	R	95.3	Very high	93	Very high	12 Å²	12	24.3 Å²	24.3	5%	0.045	14%	0.143	C	C	.	.	S	Bend	trans	-68.6	156.6	174.6	-64.2	-53.4	-57.3	159	-3.3	111.3	A71 F113 E160 F323 N324 P460 G465 D480 R933	A71-R463 PolarHBondContact N-O 2.94Å; F113-R463 HydrophobicContact CE2-CG 3.95Å; E160-R463 VanDerWaalsContact CD-NH2 3.32Å; E160-R463 IonicContact OE1-CZ 2.95Å; E160-R463 IonicContact OE1-NE 3.06Å; E160-R463 PolarHBondContact OE1-NE 3.46Å; E160-R463 IonicContact OE1-NH2 2.7Å; E160-R463 PolarHBondContact OE1-NH2 3.01Å; E160-R463 VanDerWaalsContact OE1-NH2 3.1Å; E160-R463 IonicContact OE2-CZ 3.57Å; E160-R463 IonicContact OE2-NE 2.74Å; E160-R463 IonicContact OE2-NH2 3.01Å; E160-R463 PolarHBondContact OE2-NH2 2.97Å; F323-R463 HydrophobicContact CD1-CG 4.43Å; N324-R463 WeakPolarHBondContact OD1-CD 3.23Å; N324-R463 PolarHBondContact OD1-NH1 2.83Å; P460-R463 HydrophobicContact CB-CG 3.77Å; R463-G465 PolarHBondContact O-N 3.18Å; R463-D480 IonicContact CZ-OD2 3.39Å; R463-D480 VanDerWaalsContact CZ-OD2 3.22Å; R463-D480 IonicContact NH1-OD2 3.51Å; R463-D480 PolarHBondContact NH1-OD2 2.71Å; R463-D480 IonicContact NH2-OD1 3.1Å; R463-D480 IonicContact NH2-OD2 2.74Å; R463-D480 PolarHBondContact NH2-OD2 3.2Å; R463-R933 PolarHBondContact O-NH2 2.84Å
464	A	92.8	Very high	93.2	Very high	10 Å²	10	23.4 Å²	23.4	8%	0.083	14%	0.136	C	C	.	.	B	Isolated β-bridge	trans	-75.7	121.1	-179.6	0	0	0	0	0	112.1	T478 R933	A464-T478 HydrophobicContact CB-CG2 3.48Å; A464-T478 VanDerWaalsContact CB-CG2 3.48Å; A464-R933 HydrophobicContact CB-CG 4.39Å
465	G	89.3	Confident	93.4	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	12%	0.119	C	C	.	.			trans	-110.9	148.5	174.6	0	0	0	0	0	113.3	S69 A71 R463 W484	S69-G465 WeakPolarHBondContact O-CA 3.39Å; A71-G465 PolarHBondContact O-N 3.41Å; R463-G465 PolarHBondContact O-N 3.18Å; G465-W484 WeakPolarHBondContact O-CZ2 3.08Å; G465-W484 PolarHBondContact O-NE1 3.43Å
466	S	93.2	Very high	93.5	Very high	10 Å²	10	19.6 Å²	19.6	7%	0.07	12%	0.119	C	C	.	.			trans	-120.3	134.5	170.6	173.2	0	0	0	0	109.7	W468 E485	S466-W468 PolarHBondContact O-N 2.68Å; S466-W468 PolarHBondContact OG-N 3.04Å; S466-E485 WeakPolarHBondContact CB-O 3.43Å; S466-E485 PolarHBondContact OG-O 2.79Å
467	V	92.7	Very high	93.5	Very high	27 Å²	27	19.7 Å²	19.7	16%	0.164	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-11.9	172.4	-67	0	0	0	0	112.9	L232 Q492 V926 L931	L232-V467 HydrophobicContact CD1-CB 4.41Å; L232-V467 HydrophobicContact CD1-CG1 3.55Å; L232-V467 HydrophobicContact CD2-CG1 3.52Å; L232-V467 HydrophobicContact CG-CG1 4.18Å; V467-Q492 HydrophobicContact CG2-CB 4.4Å; V467-Q492 HydrophobicContact CG2-CG 4.44Å; V467-V926 HydrophobicContact CG1-CG2 4.36Å; V467-V926 HydrophobicContact CG2-CG1 4.01Å; V467-L931 HydrophobicContact CG1-CD1 3.93Å; V467-L931 HydrophobicContact CG1-CD2 4.23Å; V467-L931 HydrophobicContact CG2-CD1 4.21Å; V467-L931 HydrophobicContact CG2-CD2 4.31Å
468	W	94	Very high	93.6	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	11.8	-175.9	-59.3	-66.3	0	0	0	113.4	S466 G470 Q471 G472 W484 E485 V486 A487 S490 Q493 F924 V926	S466-W468 PolarHBondContact O-N 2.68Å; S466-W468 PolarHBondContact OG-N 3.04Å; W468-G470 PolarHBondContact O-N 2.76Å; W468-Q471 CarbonylContact O-C 3.55Å; W468-Q471 WeakPolarHBondContact O-CA 3.38Å; W468-Q471 PolarHBondContact O-N 2.97Å; W468-G472 PolarHBondContact O-N 2.84Å; W468-W484 HydrophobicContact CZ3-CH2 4.01Å; W468-W484 HydrophobicContact CZ3-CZ3 4.32Å; W468-E485 VanDerWaalsContact O-OE2 3.1Å; W468-V486 HydrophobicContact CE3-CG1 4.32Å; W468-V486 HydrophobicContact CZ3-CG1 4.2Å; W468-A487 HydrophobicContact CB-CB 3.98Å; W468-A487 HydrophobicContact CD2-CB 4.35Å; W468-A487 HydrophobicContact CG-CB 3.62Å; W468-S490 PolarHBondContact NE1-OG 2.91Å; W468-Q493 HydrophobicContact CZ2-CG 4.22Å; W468-F924 HydrophobicContact CH2-CB 3.63Å; W468-F924 AromaticContact CH2-CD1 3.6Å; W468-F924 HydrophobicContact CH2-CD1 3.6Å; W468-F924 HydrophobicContact CH2-CD2 4.01Å; W468-F924 HydrophobicContact CH2-CE1 4.2Å; W468-F924 AromaticContact CH2-CG 3.49Å; W468-F924 HydrophobicContact CH2-CG 3.49Å; W468-F924 VanDerWaalsContact CH2-CG 3.49Å; W468-F924 HydrophobicContact CZ3-CB 4.37Å; W468-F924 HydrophobicContact CZ3-CD1 4.18Å; W468-F924 AromaticContact CZ3-CD2 3.97Å; W468-F924 HydrophobicContact CZ3-CD2 3.97Å; W468-F924 HydrophobicContact CZ3-CE1 4.43Å; W468-F924 HydrophobicContact CZ3-CE2 4.23Å; W468-F924 AromaticContact CZ3-CG 3.94Å; W468-F924 HydrophobicContact CZ3-CG 3.94Å; W468-F924 HydrophobicContact CZ3-CZ 4.45Å; W468-V926 HydrophobicContact CH2-CG1 4.18Å; W468-V926 HydrophobicContact CZ2-CG1 3.98Å
469	R	90.2	Very high	93.4	Very high	63 Å²	63	24.4 Å²	24.4	24%	0.238	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51	124.1	176.9	-169.9	-172.5	-157.8	144.1	41.2	111.1	E67 E160 Q471	E67-R469 IonicContact OE1-CZ 2.65Å; E67-R469 IonicContact OE1-NE 3.21Å; E67-R469 IonicContact OE1-NH1 2.88Å; E67-R469 PolarHBondContact OE1-NH1 3.16Å; E160-R469 PolarHBondContact O-NH2 2.79Å; R469-Q471 PolarHBondContact O-N 3.15Å
470	G	88.1	Confident	93.2	Very high	70 Å²	70	25.8 Å²	25.8	72%	0.722	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.5	5.9	-176.8	0	0	0	0	0	115.1	W468 E485	W468-G470 PolarHBondContact O-N 2.76Å; G470-E485 VanDerWaalsContact N-CD 3.28Å; G470-E485 PolarHBondContact N-OE1 3.47Å; G470-E485 PolarHBondContact N-OE2 3.11Å
471	Q	89.6	Confident	93.1	Very high	125 Å²	125	25.7 Å²	25.7	58%	0.584	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-133.9	1.5	-179.6	-59.5	-176.1	1.4	0	0	112.2	W468 R469 E485 A487	W468-Q471 CarbonylContact O-C 3.55Å; W468-Q471 WeakPolarHBondContact O-CA 3.38Å; W468-Q471 PolarHBondContact O-N 2.97Å; R469-Q471 PolarHBondContact O-N 3.15Å; Q471-E485 PolarHBondContact N-OE2 3.13Å; Q471-A487 WeakPolarHBondContact O-CB 3.32Å
472	G	92.6	Very high	93.2	Very high	11 Å²	11	25.9 Å²	25.9	11%	0.113	15%	0.148	C	C	.	.			trans	-71.8	159.6	179.7	0	0	0	0	0	113.4	M127 W468 E485 V486	M127-G472 WeakPolarHBondContact CG-O 3.32Å; W468-G472 PolarHBondContact O-N 2.84Å; G472-E485 WeakPolarHBondContact CA-OE2 3.32Å; G472-E485 PolarHBondContact N-OE2 2.85Å; G472-V486 CarbonylContact C-O 3.51Å; G472-V486 WeakPolarHBondContact CA-O 3.38Å
473	N	93.5	Very high	93.2	Very high	27 Å²	27	26.4 Å²	26.4	14%	0.144	15%	0.153	C	C	.	.	S	Bend	trans	-128.6	-4	168.3	58.3	0.2	0	0	0	113	Q131 V486 A487 L488 I518 S522	Q131-N473 PolarHBondContact NE2-O 2.52Å; N473-V486 PolarHBondContact N-O 3.47Å; N473-V486 PolarHBondContact OD1-O 3.41Å; N473-A487 WeakPolarHBondContact OD1-CA 3.41Å; N473-L488 PolarHBondContact OD1-N 3.37Å; N473-I518 HydrophobicContact CB-CG2 3.88Å; N473-I518 VanDerWaalsContact O-CG2 3.23Å; N473-I518 WeakPolarHBondContact O-CG2 3.34Å; N473-S522 PolarHBondContact ND2-OG 3.32Å
474	L	95.6	Very high	93.2	Very high	8 Å²	8	26 Å²	26	4%	0.042	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	123	170.4	166	62.5	0	0	0	109	M476 E485 V486 L515 I518 W878 F937	L474-M476 HydrophobicContact CD1-CG 4.3Å; L474-M476 HydrophobicContact CD2-CG 4.19Å; L474-M476 HydrophobicContact CD2-SD 4.18Å; L474-M476 HydrophobicContact CG-CG 4Å; L474-E485 CarbonylContact O-C 3.6Å; L474-V486 HydrophobicContact CB-CB 4.08Å; L474-V486 HydrophobicContact CD2-CB 4.14Å; L474-V486 HydrophobicContact CD2-CG2 4.33Å; L474-V486 HydrophobicContact CG-CB 4.27Å; L474-V486 PolarHBondContact N-O 2.92Å; L474-V486 PolarHBondContact O-N 2.92Å; L474-L515 HydrophobicContact CD2-CD2 3.76Å; L474-I518 HydrophobicContact CB-CD1 3.85Å; L474-I518 HydrophobicContact CD1-CD1 3.58Å; L474-I518 HydrophobicContact CG-CD1 4.2Å; L474-W878 HydrophobicContact CD2-CH2 4.03Å; L474-F937 HydrophobicContact CD1-CD2 4.36Å; L474-F937 HydrophobicContact CD1-CE2 3.84Å
475	M	96.3	Very high	93.3	Very high	7 Å²	7	26.3 Å²	26.3	3%	0.034	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	120.1	173.3	-175.4	61.7	68.5	0	0	109.3	E123 I124 M127 L153 L157 A483 E485	E123-M475 HydrophobicContact CB-CE 4.18Å; I124-M475 HydrophobicContact CD1-CB 3.47Å; I124-M475 VanDerWaalsContact CD1-CB 3.47Å; I124-M475 HydrophobicContact CD1-CG 3.92Å; M127-M475 HydrophobicContact CB-CE 4.17Å; M127-M475 HydrophobicContact CE-CB 3.76Å; M127-M475 HydrophobicContact SD-CB 3.7Å; M127-M475 HydrophobicContact SD-CE 3.95Å; M127-M475 PolarHBondContact SD-N 3.16Å; M127-M475 VanDerWaalsContact SD-N 3.37Å; L153-M475 HydrophobicContact CD1-CB 4Å; L153-M475 HydrophobicContact CD1-CG 4.16Å; L157-M475 HydrophobicContact CD1-CG 3.96Å; L157-M475 HydrophobicContact CD2-CG 3.89Å; L157-M475 HydrophobicContact CD2-SD 4.06Å; M475-A483 HydrophobicContact CE-CB 4.5Å; M475-A483 HydrophobicContact SD-CB 3.87Å; M475-E485 HydrophobicContact CE-CG 3.81Å; M475-E485 HydrophobicContact SD-CG 4.39Å
476	M	96.7	Very high	93.6	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	177.5	166.5	-57.2	-174.5	77.4	0	0	108.7	L474 W484 V486 W878 V920 L935 F937	L474-M476 HydrophobicContact CD1-CG 4.3Å; L474-M476 HydrophobicContact CD2-CG 4.19Å; L474-M476 HydrophobicContact CD2-SD 4.18Å; L474-M476 HydrophobicContact CG-CG 4Å; M476-W484 PolarHBondContact N-O 3.2Å; M476-W484 PolarHBondContact O-N 2.86Å; M476-V486 HydrophobicContact CG-CG2 4.4Å; M476-V486 HydrophobicContact SD-CG2 4.1Å; M476-W878 HydrophobicContact SD-CH2 4.48Å; M476-W878 HydrophobicContact SD-CZ3 4Å; M476-V920 HydrophobicContact CE-CB 4.19Å; M476-V920 HydrophobicContact CE-CG2 4.29Å; M476-L935 HydrophobicContact CB-CB 4.19Å; M476-L935 HydrophobicContact CB-CD1 4.2Å; M476-L935 HydrophobicContact CE-CB 3.56Å; M476-L935 HydrophobicContact CE-CD1 4.13Å; M476-L935 HydrophobicContact SD-CB 4.14Å; M476-L935 HydrophobicContact SD-CD1 3.62Å; M476-F937 HydrophobicContact CE-CB 3.83Å; M476-F937 HydrophobicContact CE-CD2 4.16Å; M476-F937 HydrophobicContact CE-CG 4.46Å
477	H	96	Very high	93.6	Very high	4 Å²	4	26.3 Å²	26.3	2%	0.019	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	155.2	171.8	66.2	89.7	0	0	0	112.5	W156 L157 S482 S916 L935 K936 T938	W156-H477 AromaticContact CG-NE2 4Å; L157-H477 HydrophobicContact CD2-CB 3.87Å; H477-S482 CarbonylContact C-O 3.57Å; H477-S482 WeakPolarHBondContact CA-O 3.21Å; H477-S482 WeakPolarHBondContact CB-O 3.5Å; H477-S916 PolarHBondContact NE2-O 3.48Å; H477-L935 CarbonylContact O-C 3.6Å; H477-L935 WeakPolarHBondContact O-CA 3.32Å; H477-K936 WeakPolarHBondContact CE1-CB 3.37Å; H477-K936 PolarHBondContact N-O 3.46Å; H477-K936 WeakPolarHBondContact NE2-CB 3.29Å; H477-K936 PolarHBondContact O-N 3.3Å; H477-T938 PolarHBondContact NE2-OG1 3.43Å
478	T	94.6	Very high	93.5	Very high	8 Å²	8	25.9 Å²	25.9	5%	0.049	15%	0.148	C	C	.	.			trans	-73.1	168.8	170.2	56.5	0	0	0	0	110.9	A464 D480 G481 S482 L935	A464-T478 HydrophobicContact CB-CG2 3.48Å; A464-T478 VanDerWaalsContact CB-CG2 3.48Å; T478-D480 VanDerWaalsContact C-N 3.26Å; T478-D480 VanDerWaalsContact CB-OD1 3.26Å; T478-D480 WeakPolarHBondContact CB-OD1 3.36Å; T478-D480 PolarHBondContact O-N 2.97Å; T478-D480 PolarHBondContact OG1-OD1 3.04Å; T478-G481 WeakPolarHBondContact O-CA 2.9Å; T478-G481 PolarHBondContact O-N 3.43Å; T478-S482 PolarHBondContact N-O 2.75Å; T478-S482 WeakPolarHBondContact OG1-CA 3.41Å; T478-S482 WeakPolarHBondContact OG1-CB 3.45Å; T478-S482 PolarHBondContact OG1-N 3.35Å; T478-L935 HydrophobicContact CG2-CD2 4.16Å
479	E	90.5	Very high	92.9	Very high	116 Å²	116	26.9 Å²	26.9	54%	0.542	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-36.5	177.4	-174.2	176.8	-172.4	0	0	113	G481 M907	E479-G481 PolarHBondContact O-N 3.48Å; E479-M907 VanDerWaalsContact OE2-CE 3.28Å; E479-M907 WeakPolarHBondContact OE2-CE 3.46Å
480	D	92.3	Very high	92.7	Very high	34 Å²	34	24.5 Å²	24.5	18%	0.182	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	4.3	175.1	63	-13.2	0	0	0	113.5	R115 V327 R463 T478	R115-D480 PolarHBondContact NH2-O 3.21Å; V327-D480 WeakPolarHBondContact CG1-OD2 3.48Å; R463-D480 IonicContact CZ-OD2 3.39Å; R463-D480 VanDerWaalsContact CZ-OD2 3.22Å; R463-D480 IonicContact NH1-OD2 3.51Å; R463-D480 PolarHBondContact NH1-OD2 2.71Å; R463-D480 IonicContact NH2-OD1 3.1Å; R463-D480 IonicContact NH2-OD2 2.74Å; R463-D480 PolarHBondContact NH2-OD2 3.2Å; T478-D480 VanDerWaalsContact C-N 3.26Å; T478-D480 VanDerWaalsContact CB-OD1 3.26Å; T478-D480 WeakPolarHBondContact CB-OD1 3.36Å; T478-D480 PolarHBondContact O-N 2.97Å; T478-D480 PolarHBondContact OG1-OD1 3.04Å
481	G	93.8	Very high	92.6	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.144	C	C	.	.			trans	91.3	6.1	170.5	0	0	0	0	0	116	W156 L157 V158 T478 E479 A483	W156-G481 WeakPolarHBondContact O-CA 3.38Å; L157-G481 CarbonylContact C-O 3.59Å; V158-G481 WeakPolarHBondContact CB-O 3.14Å; V158-G481 PolarHBondContact N-O 2.8Å; T478-G481 WeakPolarHBondContact O-CA 2.9Å; T478-G481 PolarHBondContact O-N 3.43Å; E479-G481 PolarHBondContact O-N 3.48Å; G481-A483 PolarHBondContact O-N 2.79Å
482	S	95.6	Very high	92.5	Very high	5 Å²	5	21.7 Å²	21.7	4%	0.035	13%	0.127	C	C	.	.	B	Isolated β-bridge	trans	-61	126.3	175.2	-172.5	0	0	0	0	110.2	H477 T478 W484	H477-S482 CarbonylContact C-O 3.57Å; H477-S482 WeakPolarHBondContact CA-O 3.21Å; H477-S482 WeakPolarHBondContact CB-O 3.5Å; T478-S482 PolarHBondContact N-O 2.75Å; T478-S482 WeakPolarHBondContact OG1-CA 3.41Å; T478-S482 WeakPolarHBondContact OG1-CB 3.45Å; T478-S482 PolarHBondContact OG1-N 3.35Å; S482-W484 PolarHBondContact O-N 3.16Å
483	A	94.9	Very high	92.3	Very high	18 Å²	18	21.5 Å²	21.5	15%	0.149	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	135	171.7	0	0	0	0	0	110.5	E123 L157 V158 M475 G481	E123-A483 HydrophobicContact CB-CB 4.19Å; E123-A483 HydrophobicContact CG-CB 4.14Å; L157-A483 HydrophobicContact CD2-CB 3.92Å; V158-A483 PolarHBondContact O-N 3.18Å; M475-A483 HydrophobicContact CE-CB 4.5Å; M475-A483 HydrophobicContact SD-CB 3.87Å; G481-A483 PolarHBondContact O-N 2.79Å
484	W	95	Very high	91.6	Very high	3 Å²	3	24.6 Å²	24.6	1%	0.011	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	103.3	-175.6	-153.4	87.6	0	0	0	111.2	G465 W468 M476 S482 V486 F924 L931 L935	G465-W484 WeakPolarHBondContact O-CZ2 3.08Å; G465-W484 PolarHBondContact O-NE1 3.43Å; W468-W484 HydrophobicContact CZ3-CH2 4.01Å; W468-W484 HydrophobicContact CZ3-CZ3 4.32Å; M476-W484 PolarHBondContact N-O 3.2Å; M476-W484 PolarHBondContact O-N 2.86Å; S482-W484 PolarHBondContact O-N 3.16Å; W484-V486 HydrophobicContact CE3-CG2 3.59Å; W484-V486 HydrophobicContact CZ3-CG2 3.39Å; W484-F924 AromaticContact CH2-CD2 3.9Å; W484-F924 HydrophobicContact CH2-CD2 3.9Å; W484-F924 AromaticContact CH2-CE2 3.58Å; W484-F924 HydrophobicContact CH2-CE2 3.58Å; W484-F924 HydrophobicContact CZ3-CD2 4.39Å; W484-F924 AromaticContact CZ3-CE2 3.63Å; W484-F924 HydrophobicContact CZ3-CE2 3.63Å; W484-F924 HydrophobicContact CZ3-CZ 4.26Å; W484-L931 HydrophobicContact CH2-CD2 4.1Å; W484-L931 HydrophobicContact CZ2-CD2 3.72Å; W484-L935 HydrophobicContact CB-CD2 3.98Å; W484-L935 HydrophobicContact CD2-CD1 3.84Å; W484-L935 HydrophobicContact CD2-CD2 3.85Å; W484-L935 HydrophobicContact CE3-CD1 3.24Å; W484-L935 HydrophobicContact CE3-CD2 4.12Å; W484-L935 HydrophobicContact CE3-CG 4.32Å; W484-L935 HydrophobicContact CG-CD2 3.78Å; W484-L935 HydrophobicContact CH2-CD1 4.23Å; W484-L935 HydrophobicContact CZ3-CD1 3.43Å; W484-L935 VanDerWaalsContact CZ3-CD1 3.43Å
485	E	95.3	Very high	90.7	Very high	17 Å²	17	26.4 Å²	26.4	8%	0.079	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	143.2	-178.1	-73.2	179.2	-118.8	0	0	112.5	M127 S466 W468 G470 Q471 G472 L474 M475	M127-E485 HydrophobicContact CG-CG 4.42Å; M127-E485 HydrophobicContact SD-CG 4.29Å; S466-E485 WeakPolarHBondContact CB-O 3.43Å; S466-E485 PolarHBondContact OG-O 2.79Å; W468-E485 VanDerWaalsContact O-OE2 3.1Å; G470-E485 VanDerWaalsContact N-CD 3.28Å; G470-E485 PolarHBondContact N-OE1 3.47Å; G470-E485 PolarHBondContact N-OE2 3.11Å; Q471-E485 PolarHBondContact N-OE2 3.13Å; G472-E485 WeakPolarHBondContact CA-OE2 3.32Å; G472-E485 PolarHBondContact N-OE2 2.85Å; L474-E485 CarbonylContact O-C 3.6Å; M475-E485 HydrophobicContact CE-CG 3.81Å; M475-E485 HydrophobicContact SD-CG 4.39Å
486	V	95.3	Very high	90.2	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.006	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	135.6	168.8	-171.7	0	0	0	0	108.9	W468 G472 N473 L474 M476 W484 L488 W878 F924	W468-V486 HydrophobicContact CE3-CG1 4.32Å; W468-V486 HydrophobicContact CZ3-CG1 4.2Å; G472-V486 CarbonylContact C-O 3.51Å; G472-V486 WeakPolarHBondContact CA-O 3.38Å; N473-V486 PolarHBondContact N-O 3.47Å; N473-V486 PolarHBondContact OD1-O 3.41Å; L474-V486 HydrophobicContact CB-CB 4.08Å; L474-V486 HydrophobicContact CD2-CB 4.14Å; L474-V486 HydrophobicContact CD2-CG2 4.33Å; L474-V486 HydrophobicContact CG-CB 4.27Å; L474-V486 PolarHBondContact N-O 2.92Å; L474-V486 PolarHBondContact O-N 2.92Å; M476-V486 HydrophobicContact CG-CG2 4.4Å; M476-V486 HydrophobicContact SD-CG2 4.1Å; W484-V486 HydrophobicContact CE3-CG2 3.59Å; W484-V486 HydrophobicContact CZ3-CG2 3.39Å; V486-L488 HydrophobicContact CG1-CD2 4.45Å; V486-W878 HydrophobicContact CG1-CH2 4.17Å; V486-F924 HydrophobicContact CG1-CE1 3.83Å; V486-F924 HydrophobicContact CG1-CZ 3.83Å; V486-F924 HydrophobicContact CG2-CZ 4.2Å
487	A	93.1	Very high	89.8	Confident	9 Å²	9	27.8 Å²	27.8	7%	0.074	15%	0.154	C	C	.	.			trans	-108.6	115.9	170.6	0	0	0	0	0	110.4	W468 Q471 N473 S490	W468-A487 HydrophobicContact CB-CB 3.98Å; W468-A487 HydrophobicContact CD2-CB 4.35Å; W468-A487 HydrophobicContact CG-CB 3.62Å; Q471-A487 WeakPolarHBondContact O-CB 3.32Å; N473-A487 WeakPolarHBondContact OD1-CA 3.41Å; A487-S490 WeakPolarHBondContact O-CB 3.18Å
488	L	89.7	Confident	89.6	Confident	17 Å²	17	27.7 Å²	27.7	9%	0.089	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	139.1	175.5	-54.2	-178.7	0	0	0	110.7	N473 V486 S490 L515 I518 Q519 W878	N473-L488 PolarHBondContact OD1-N 3.37Å; V486-L488 HydrophobicContact CG1-CD2 4.45Å; L488-S490 VanDerWaalsContact C-N 3.27Å; L488-S490 PolarHBondContact O-N 3.02Å; L488-L515 HydrophobicContact CD1-CB 4.16Å; L488-L515 HydrophobicContact CD1-CD2 4.06Å; L488-L515 VanDerWaalsContact CD1-O 3.28Å; L488-L515 WeakPolarHBondContact CD1-O 3.49Å; L488-L515 HydrophobicContact CD2-CD2 3.86Å; L488-I518 HydrophobicContact CD1-CB 4.11Å; L488-I518 HydrophobicContact CD1-CG2 3.9Å; L488-Q519 HydrophobicContact CD1-CG 4.2Å; L488-W878 HydrophobicContact CD2-CZ2 4.4Å
489	A	82.1	Confident	89.6	Confident	22 Å²	22	27.3 Å²	27.3	18%	0.182	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	40.3	-177.8	0	0	0	0	0	114.3	H496 V821	A489-H496 VanDerWaalsContact C-CE1 3.42Å; A489-V821 HydrophobicContact CB-CG1 3.85Å
490	S	86.8	Confident	89.7	Confident	13 Å²	13	21.8 Å²	21.8	9%	0.091	13%	0.126	C	C	.	.			trans	-77.2	143.4	-177.8	178.5	0	0	0	0	113.6	W468 A487 L488 Q492 Q493 H496	W468-S490 PolarHBondContact NE1-OG 2.91Å; A487-S490 WeakPolarHBondContact O-CB 3.18Å; L488-S490 VanDerWaalsContact C-N 3.27Å; L488-S490 PolarHBondContact O-N 3.02Å; S490-Q492 PolarHBondContact O-N 2.9Å; S490-Q492 WeakPolarHBondContact OG-CG 3.44Å; S490-Q492 PolarHBondContact OG-N 2.98Å; S490-Q492 VanDerWaalsContact OG-N 3.16Å; S490-Q493 PolarHBondContact O-N 3.39Å; S490-H496 PolarHBondContact O-CE1 3.16Å
491	S	85	Confident	89.6	Confident	84 Å²	84	20.3 Å²	20.3	59%	0.587	12%	0.118	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	-6.7	170.3	61.9	0	0	0	0	114.6	K927	S491-K927 WeakPolarHBondContact O-CE 3.3Å; S491-K927 PolarHBondContact O-NZ 3.31Å
492	Q	88.2	Confident	89.2	Confident	51 Å²	51	20.5 Å²	20.5	24%	0.238	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-19.8	168.9	-63.8	-60.6	-13.7	0	0	112.4	V467 S490 V926 K927	V467-Q492 HydrophobicContact CG2-CB 4.4Å; V467-Q492 HydrophobicContact CG2-CG 4.44Å; S490-Q492 PolarHBondContact O-N 2.9Å; S490-Q492 WeakPolarHBondContact OG-CG 3.44Å; S490-Q492 PolarHBondContact OG-N 2.98Å; S490-Q492 VanDerWaalsContact OG-N 3.16Å; Q492-V926 CarbonylContact O-C 3.51Å; Q492-V926 VanDerWaalsContact O-CA 3.27Å; Q492-V926 WeakPolarHBondContact O-CA 3.39Å; Q492-V926 WeakPolarHBondContact O-CB 3.4Å; Q492-K927 PolarHBondContact O-N 3.29Å
493	Q	87.5	Confident	88.6	Confident	8 Å²	8	22.5 Å²	22.5	4%	0.037	14%	0.137	C	C	.	.	S	Bend	trans	-104.1	139.8	174	-58.7	-178.2	-77.8	0	0	109.6	W468 S490 K495 N875 T876 V926	W468-Q493 HydrophobicContact CZ2-CG 4.22Å; S490-Q493 PolarHBondContact O-N 3.39Å; Q493-K495 VanDerWaalsContact C-N 3.28Å; Q493-K495 WeakPolarHBondContact CB-O 3.43Å; Q493-N875 PolarHBondContact NE2-O 3.28Å; Q493-T876 PolarHBondContact NE2-OG1 3.2Å; Q493-V926 HydrophobicContact CG-CG1 4.06Å
494	N	78.4	Confident	87.8	Confident	92 Å²	92	25.8 Å²	25.8	49%	0.492	16%	0.157	S	C	.	.	S	Bend	trans	-77	-17.7	-179.9	-68.5	-31.2	0	0	0	113	K927	N494-K927 WeakPolarHBondContact OD1-CE 3.46Å
495	K	78.4	Confident	87	Confident	45 Å²	45	29.8 Å²	29.8	20%	0.196	20%	0.198	C	C	.	.			trans	-147	165.5	177.3	-54.6	177.3	170.5	-175	0	109.5	Q493 E846 N875	Q493-K495 VanDerWaalsContact C-N 3.28Å; Q493-K495 WeakPolarHBondContact CB-O 3.43Å; K495-E846 IonicContact NZ-OE1 3.96Å; K495-E846 PolarHBondContact NZ-OE1 2.82Å; K495-N875 WeakPolarHBondContact CB-OD1 3.46Å; K495-N875 WeakPolarHBondContact O-CB 3.36Å
496	H	85.4	Confident	86.4	Confident	29 Å²	29	30.2 Å²	30.2	13%	0.134	20%	0.201	C	C	.	.			trans	-121.6	42.6	-176.9	-54.4	-46.7	0	0	0	112.2	A489 S490 R855 T856	A489-H496 VanDerWaalsContact C-CE1 3.42Å; S490-H496 PolarHBondContact O-CE1 3.16Å; H496-R855 HydrophobicContact CB-CB 3.82Å; H496-R855 HydrophobicContact CB-CG 4.02Å; H496-R855 CarbonylContact O-C 3.55Å; H496-R855 WeakPolarHBondContact O-CA 3.48Å; H496-T856 PolarHBondContact O-N 2.89Å
497	T	88.2	Confident	85.8	Confident	7 Å²	7	31.6 Å²	31.6	4%	0.043	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	121.2	173	-52.5	0	0	0	0	109.9	L499 T856 A874 N875 T876	T497-L499 HydrophobicContact CG2-CD2 4.49Å; T497-T856 CarbonylContact C-O 3.53Å; T497-T856 WeakPolarHBondContact CA-O 3.24Å; T497-A874 HydrophobicContact CG2-CB 4.36Å; T497-N875 PolarHBondContact O-N 2.9Å; T497-T876 PolarHBondContact O-N 3.32Å
498	E	92.5	Very high	85.5	Confident	2 Å²	2	31.5 Å²	31.5	1%	0.009	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	132.7	-177.4	-44.1	-166.6	-173.5	0	0	111.1	R855 T856 V857 L858 T876 W878	E498-R855 VanDerWaalsContact CD-NE 3.34Å; E498-R855 IonicContact OE1-CZ 3.35Å; E498-R855 IonicContact OE1-NE 2.82Å; E498-R855 PolarHBondContact OE1-NE 3.03Å; E498-R855 IonicContact OE1-NH2 3.72Å; E498-R855 PolarHBondContact OE1-NH2 2.79Å; E498-R855 IonicContact OE2-CZ 3.45Å; E498-R855 IonicContact OE2-NE 3.03Å; E498-R855 IonicContact OE2-NH2 2.69Å; E498-R855 PolarHBondContact OE2-NH2 2.97Å; E498-T856 PolarHBondContact N-O 2.66Å; E498-V857 HydrophobicContact CB-CG2 4.32Å; E498-V857 HydrophobicContact CG-CG2 4.48Å; E498-V857 WeakPolarHBondContact O-CA 3.32Å; E498-L858 PolarHBondContact O-N 2.99Å; E498-T876 CarbonylContact C-O 3.48Å; E498-T876 WeakPolarHBondContact CA-O 3.39Å; E498-T876 HydrophobicContact CB-CG2 4.35Å; E498-T876 HydrophobicContact CG-CG2 4.26Å; E498-W878 PolarHBondContact OE2-NE1 3.08Å
499	L	93.4	Very high	85.4	Confident	0 Å²	0	32 Å²	32	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	133.6	177.4	-53.5	-176.5	0	0	0	110	T497 P501 L858 Y866 V870 L871 A874 T876 L877 W878 F894	T497-L499 HydrophobicContact CG2-CD2 4.49Å; L499-P501 VanDerWaalsContact C-CD 3.5Å; L499-L858 WeakPolarHBondContact CA-O 3.17Å; L499-L858 HydrophobicContact CD2-CB 3.94Å; L499-L858 HydrophobicContact CD2-CD1 3.96Å; L499-L858 HydrophobicContact CD2-CG 4.33Å; L499-Y866 HydrophobicContact CB-CE2 4.26Å; L499-Y866 HydrophobicContact CD1-CD2 4.35Å; L499-Y866 HydrophobicContact CD1-CE2 4.49Å; L499-Y866 HydrophobicContact CD1-CG 4.44Å; L499-Y866 HydrophobicContact CD2-CD1 4.07Å; L499-Y866 HydrophobicContact CD2-CE1 3.86Å; L499-V870 HydrophobicContact CD2-CG1 3.8Å; L499-L871 HydrophobicContact CD1-CD2 3.82Å; L499-A874 HydrophobicContact CD1-CB 3.52Å; L499-A874 HydrophobicContact CD2-CB 4.28Å; L499-A874 HydrophobicContact CG-CB 3.61Å; L499-T876 PolarHBondContact N-O 2.92Å; L499-L877 HydrophobicContact CB-CD1 3.89Å; L499-W878 PolarHBondContact O-N 3.37Å; L499-F894 HydrophobicContact CD1-CZ 4.49Å
500	T	93.6	Very high	85.6	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	73.2	177.2	-48.9	0	0	0	0	110.3	K508 L511 I512 L858 S859 Y866 W878	T500-K508 HydrophobicContact CG2-CB 4.28Å; T500-K508 HydrophobicContact CG2-CG 4.3Å; T500-L511 HydrophobicContact CG2-CD2 4.31Å; T500-I512 HydrophobicContact CG2-CD1 4.21Å; T500-I512 HydrophobicContact CG2-CG1 4.22Å; T500-L858 PolarHBondContact N-O 3.31Å; T500-S859 PolarHBondContact O-OG 2.89Å; T500-Y866 PolarHBondContact N-OH 3.24Å; T500-W878 HydrophobicContact CG2-CB 4.22Å
501	P	90	Very high	85.8	Confident	3 Å²	3	31.8 Å²	31.8	2%	0.019	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	146.8	172.5	28.8	-34.9	0	0	0	112.4	L499 T860 L863 Y866 L877 L879	L499-P501 VanDerWaalsContact C-CD 3.5Å; P501-T860 CarbonylContact C-O 3.5Å; P501-T860 VanDerWaalsContact CA-O 3.31Å; P501-T860 WeakPolarHBondContact CA-O 3.43Å; P501-L863 HydrophobicContact CB-CD2 4.14Å; P501-L863 HydrophobicContact CB-CG 4.07Å; P501-L863 HydrophobicContact CG-CD2 3.69Å; P501-L863 HydrophobicContact CG-CG 3.98Å; P501-Y866 HydrophobicContact CB-CE2 4.04Å; P501-Y866 HydrophobicContact CG-CE2 4.48Å; P501-L877 HydrophobicContact CG-CD1 3.75Å; P501-L879 HydrophobicContact CB-CD2 4.49Å; P501-L879 HydrophobicContact CG-CD2 3.44Å; P501-L879 VanDerWaalsContact CG-CD2 3.44Å; P501-L879 HydrophobicContact CG-CG 4.31Å
502	G	84.7	Confident	86.1	Confident	4 Å²	4	27.9 Å²	27.9	4%	0.041	19%	0.186	C	C	.	.			trans	162.5	153.1	167.2	0	0	0	0	0	114	K508 T860 Q861	G502-K508 WeakPolarHBondContact O-CD 3.42Å; G502-K508 WeakPolarHBondContact O-CE 3.32Å; G502-K508 PolarHBondContact O-NZ 3.01Å; G502-T860 PolarHBondContact N-O 3.02Å; G502-Q861 CarbonylContact C-O 3.54Å; G502-Q861 WeakPolarHBondContact CA-O 3.47Å; G502-Q861 PolarHBondContact N-O 3.35Å; G502-Q861 VanDerWaalsContact O-CA 3.3Å; G502-Q861 WeakPolarHBondContact O-CA 3.39Å
503	A	82.6	Confident	86.2	Confident	47 Å²	47	25.4 Å²	25.4	39%	0.388	18%	0.175	S	C	.	.			trans	-61.8	156	175	0	0	0	0	0	112	L506	A503-L506 HydrophobicContact CB-CD1 4.06Å; A503-L506 HydrophobicContact CB-CG 4.42Å; A503-L506 WeakPolarHBondContact O-CG 3.36Å
504	P	79.4	Confident	86.4	Confident	88 Å²	88	25 Å²	25	57%	0.571	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.5	144.4	171.8	-25.4	35	0	0	0	112.1	L506	P504-L506 VanDerWaalsContact C-N 3.34Å; P504-L506 PolarHBondContact O-N 3.17Å
505	G	77.9	Confident	87.1	Confident	86 Å²	86	20.7 Å²	20.7	89%	0.887	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.6	-6.9	176.8	0	0	0	0	0	116.1	G507	G505-G507 PolarHBondContact O-N 3.33Å
506	L	82	Confident	87.7	Confident	27 Å²	27	18.5 Å²	18.5	14%	0.141	14%	0.14	C	C	.	.	S	Bend	trans	-74.7	-8.5	177.8	-66.8	178.4	0	0	0	114.5	A503 P504 L880 R881	A503-L506 HydrophobicContact CB-CD1 4.06Å; A503-L506 HydrophobicContact CB-CG 4.42Å; A503-L506 WeakPolarHBondContact O-CG 3.36Å; P504-L506 VanDerWaalsContact C-N 3.34Å; P504-L506 PolarHBondContact O-N 3.17Å; L506-L880 HydrophobicContact CB-CB 4.19Å; L506-L880 HydrophobicContact CB-CD1 4.09Å; L506-L880 HydrophobicContact CD1-CB 4.5Å; L506-L880 WeakPolarHBondContact O-CD1 3.39Å; L506-R881 HydrophobicContact CD1-CB 3.59Å
507	G	82.7	Confident	88	Confident	29 Å²	29	17.3 Å²	17.3	30%	0.299	14%	0.135	S	C	.	.	S	Bend	trans	96.6	17.1	-177.9	0	0	0	0	0	115.3	G505 V510 L511	G505-G507 PolarHBondContact O-N 3.33Å; G507-V510 PolarHBondContact O-N 2.95Å; G507-L511 PolarHBondContact O-N 2.89Å
508	K	87.3	Confident	88.1	Confident	8 Å²	8	17.1 Å²	17.1	4%	0.035	13%	0.133	C	C	.	.	H	α-helix	trans	-54.6	-54.2	178.4	-64.5	-174.2	-65.1	166.5	0	113.3	T500 G502 V510 L511 I512 E828 T860 L880	T500-K508 HydrophobicContact CG2-CB 4.28Å; T500-K508 HydrophobicContact CG2-CG 4.3Å; G502-K508 WeakPolarHBondContact O-CD 3.42Å; G502-K508 WeakPolarHBondContact O-CE 3.32Å; G502-K508 PolarHBondContact O-NZ 3.01Å; K508-V510 VanDerWaalsContact C-N 3.27Å; K508-V510 PolarHBondContact O-N 3.13Å; K508-L511 WeakPolarHBondContact O-CB 3.27Å; K508-L511 PolarHBondContact O-N 3.43Å; K508-L511 VanDerWaalsContact O-N 3.13Å; K508-I512 WeakPolarHBondContact O-CG1 3.47Å; K508-I512 PolarHBondContact O-N 2.78Å; K508-E828 IonicContact NZ-OE1 3.13Å; K508-E828 PolarHBondContact NZ-OE1 2.74Å; K508-T860 PolarHBondContact NZ-O 3.2Å; K508-L880 HydrophobicContact CB-CD1 4.34Å; K508-L880 HydrophobicContact CG-CD1 3.79Å
509	S	86.5	Confident	88	Confident	26 Å²	26	17.8 Å²	17.8	18%	0.182	14%	0.137	C	C	.	.	H	α-helix	trans	-66.2	-33.2	-177	-46.3	0	0	0	0	111.3	I512 N513 D827	S509-I512 PolarHBondContact O-N 3.02Å; S509-N513 WeakPolarHBondContact O-CB 3.17Å; S509-N513 PolarHBondContact O-N 2.94Å; S509-N513 PolarHBondContact O-ND2 3.4Å; S509-D827 PolarHBondContact OG-OD2 2.96Å
510	V	87.6	Confident	87.8	Confident	30 Å²	30	17.9 Å²	17.9	18%	0.182	14%	0.137	C	C	.	.	H	α-helix	trans	-63	-45.4	172.3	177.5	0	0	0	0	110.7	G507 K508 A514 L939 L944 L947	G507-V510 PolarHBondContact O-N 2.95Å; K508-V510 VanDerWaalsContact C-N 3.27Å; K508-V510 PolarHBondContact O-N 3.13Å; V510-A514 WeakPolarHBondContact O-CB 3.32Å; V510-A514 PolarHBondContact O-N 3.26Å; V510-L939 HydrophobicContact CG1-CD1 3.62Å; V510-L944 HydrophobicContact CG1-CD2 4.18Å; V510-L947 HydrophobicContact CG1-CB 4.4Å
511	L	90.7	Very high	87.6	Confident	2 Å²	2	17.9 Å²	17.9	1%	0.01	14%	0.137	C	C	.	.	H	α-helix	trans	-59.6	-52.2	174.8	176.2	64	0	0	0	111.2	T500 G507 K508 N513 A514 L515 W878 L880 F937	T500-L511 HydrophobicContact CG2-CD2 4.31Å; G507-L511 PolarHBondContact O-N 2.89Å; K508-L511 WeakPolarHBondContact O-CB 3.27Å; K508-L511 PolarHBondContact O-N 3.43Å; K508-L511 VanDerWaalsContact O-N 3.13Å; L511-N513 VanDerWaalsContact C-N 3.32Å; L511-N513 PolarHBondContact O-N 3.39Å; L511-A514 PolarHBondContact O-N 3.05Å; L511-L515 HydrophobicContact CD1-CD2 4.48Å; L511-L515 HydrophobicContact CD1-CG 4.29Å; L511-L515 HydrophobicContact CG-CD1 4.37Å; L511-L515 VanDerWaalsContact O-CG 3.29Å; L511-L515 WeakPolarHBondContact O-CG 3.47Å; L511-L515 PolarHBondContact O-N 3.05Å; L511-W878 HydrophobicContact CD2-CB 3.84Å; L511-W878 HydrophobicContact CD2-CD2 4.45Å; L511-W878 HydrophobicContact CD2-CG 4.17Å; L511-L880 HydrophobicContact CD2-CD2 4.38Å; L511-F937 HydrophobicContact CB-CE1 4.45Å; L511-F937 HydrophobicContact CD1-CD1 3.95Å; L511-F937 HydrophobicContact CD1-CD2 4.05Å; L511-F937 HydrophobicContact CD1-CE1 3.74Å; L511-F937 HydrophobicContact CD1-CE2 3.86Å; L511-F937 HydrophobicContact CD1-CG 4.1Å; L511-F937 HydrophobicContact CD1-CZ 3.7Å
512	I	91.7	Very high	87.5	Confident	1 Å²	1	19.1 Å²	19.1	1%	0.005	15%	0.146	C	C	.	.	H	α-helix	trans	-61.7	-41	-177.8	-63.5	166.8	0	0	0	111.5	T500 K508 S509 L515 S516 Y532 V825 V857	T500-I512 HydrophobicContact CG2-CD1 4.21Å; T500-I512 HydrophobicContact CG2-CG1 4.22Å; K508-I512 WeakPolarHBondContact O-CG1 3.47Å; K508-I512 PolarHBondContact O-N 2.78Å; S509-I512 PolarHBondContact O-N 3.02Å; I512-L515 PolarHBondContact O-N 3.31Å; I512-S516 PolarHBondContact O-N 3.18Å; I512-S516 PolarHBondContact O-OG 3.08Å; I512-Y532 HydrophobicContact CG2-CE2 3.72Å; I512-Y532 WeakPolarHBondContact CG2-OH 3.4Å; I512-V825 HydrophobicContact CG2-CG1 3.58Å; I512-V825 HydrophobicContact CG2-CG2 4.41Å; I512-V857 HydrophobicContact CG1-CG1 4.34Å; I512-V857 HydrophobicContact CG2-CG1 4.32Å
513	N	90.2	Very high	87.4	Confident	0 Å²	0	19.3 Å²	19.3	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-65	-42.3	176.2	-77	-17.4	0	0	0	111.6	S509 L511 L515 S516 E517 Y532 S538 L947	S509-N513 WeakPolarHBondContact O-CB 3.17Å; S509-N513 PolarHBondContact O-N 2.94Å; S509-N513 PolarHBondContact O-ND2 3.4Å; L511-N513 VanDerWaalsContact C-N 3.32Å; L511-N513 PolarHBondContact O-N 3.39Å; N513-L515 PolarHBondContact O-N 2.74Å; N513-S516 WeakPolarHBondContact O-CB 3.27Å; N513-S516 PolarHBondContact O-N 2.88Å; N513-S516 VanDerWaalsContact O-N 3.13Å; N513-E517 PolarHBondContact O-N 2.8Å; N513-Y532 VanDerWaalsContact OD1-CE2 3.29Å; N513-Y532 WeakPolarHBondContact OD1-CE2 3.3Å; N513-S538 PolarHBondContact ND2-O 3.35Å; N513-S538 VanDerWaalsContact ND2-O 3.16Å; N513-L947 HydrophobicContact CB-CB 4.3Å; N513-L947 HydrophobicContact CB-CD2 3.94Å; N513-L947 HydrophobicContact CB-CG 4.46Å
514	A	91.1	Very high	87	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-64.4	-39.7	175.8	0	0	0	0	0	112.1	V510 L511 S516 E517 I518 F937 L939 L947	V510-A514 WeakPolarHBondContact O-CB 3.32Å; V510-A514 PolarHBondContact O-N 3.26Å; L511-A514 PolarHBondContact O-N 3.05Å; A514-S516 PolarHBondContact O-N 2.63Å; A514-E517 WeakPolarHBondContact O-CB 3.35Å; A514-E517 PolarHBondContact O-N 3.18Å; A514-I518 VanDerWaalsContact O-CG1 3.28Å; A514-I518 WeakPolarHBondContact O-CG1 3.43Å; A514-I518 PolarHBondContact O-N 3.06Å; A514-F937 HydrophobicContact CB-CE1 4.31Å; A514-F937 HydrophobicContact CB-CZ 3.62Å; A514-L939 HydrophobicContact CB-CD1 4.21Å; A514-L939 HydrophobicContact CB-CD2 4.42Å; A514-L947 HydrophobicContact CB-CD1 3.63Å
515	L	93	Very high	87.1	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-60.9	-37.2	173.2	-64.7	-179.3	0	0	0	111.5	L474 L488 L511 I512 N513 Q519 W878	L474-L515 HydrophobicContact CD2-CD2 3.76Å; L488-L515 HydrophobicContact CD1-CB 4.16Å; L488-L515 HydrophobicContact CD1-CD2 4.06Å; L488-L515 VanDerWaalsContact CD1-O 3.28Å; L488-L515 WeakPolarHBondContact CD1-O 3.49Å; L488-L515 HydrophobicContact CD2-CD2 3.86Å; L511-L515 HydrophobicContact CD1-CD2 4.48Å; L511-L515 HydrophobicContact CD1-CG 4.29Å; L511-L515 HydrophobicContact CG-CD1 4.37Å; L511-L515 VanDerWaalsContact O-CG 3.29Å; L511-L515 WeakPolarHBondContact O-CG 3.47Å; L511-L515 PolarHBondContact O-N 3.05Å; I512-L515 PolarHBondContact O-N 3.31Å; N513-L515 PolarHBondContact O-N 2.74Å; L515-Q519 WeakPolarHBondContact O-CG 3.34Å; L515-Q519 PolarHBondContact O-N 3.48Å; L515-W878 HydrophobicContact CD1-CZ2 4.17Å; L515-W878 HydrophobicContact CD2-CZ2 4.18Å
516	S	91.5	Very high	87.5	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-71.9	-41.2	177.7	-55	0	0	0	0	111.7	I512 N513 A514 I518 Q519 I520	I512-S516 PolarHBondContact O-N 3.18Å; I512-S516 PolarHBondContact O-OG 3.08Å; N513-S516 WeakPolarHBondContact O-CB 3.27Å; N513-S516 PolarHBondContact O-N 2.88Å; N513-S516 VanDerWaalsContact O-N 3.13Å; A514-S516 PolarHBondContact O-N 2.63Å; S516-I518 VanDerWaalsContact C-N 3.31Å; S516-I518 PolarHBondContact O-N 3.45Å; S516-Q519 WeakPolarHBondContact O-CB 3.43Å; S516-Q519 PolarHBondContact O-N 3.04Å; S516-Q519 VanDerWaalsContact O-N 3.15Å; S516-I520 WeakPolarHBondContact O-CD1 2.99Å; S516-I520 WeakPolarHBondContact O-CG1 3.41Å; S516-I520 PolarHBondContact O-N 3.39Å; S516-I520 VanDerWaalsContact O-N 3.14Å
517	E	90.6	Very high	87.9	Confident	3 Å²	3	23.8 Å²	23.8	1%	0.014	13%	0.127	C	C	.	.	H	α-helix	trans	-56.3	-44	172.2	-174.6	-159.1	111.7	0	0	111.6	V145 K149 N513 A514 Q519 I520 A521	V145-E517 VanDerWaalsContact CG1-OE1 3.24Å; V145-E517 WeakPolarHBondContact CG1-OE1 3.44Å; K149-E517 WeakPolarHBondContact CE-OE1 3.44Å; K149-E517 IonicContact NZ-OE1 3.47Å; N513-E517 PolarHBondContact O-N 2.8Å; A514-E517 WeakPolarHBondContact O-CB 3.35Å; A514-E517 PolarHBondContact O-N 3.18Å; E517-Q519 VanDerWaalsContact C-N 3.28Å; E517-Q519 PolarHBondContact O-N 3.36Å; E517-I520 CarbonylContact O-C 3.56Å; E517-I520 WeakPolarHBondContact O-CA 3.46Å; E517-I520 WeakPolarHBondContact O-CB 3.34Å; E517-I520 PolarHBondContact O-N 3.43Å; E517-A521 PolarHBondContact O-N 3.05Å
518	I	91.6	Very high	88.3	Confident	3 Å²	3	23.1 Å²	23.1	2%	0.015	12%	0.117	C	C	.	.	H	α-helix	trans	-62.4	-36	178.5	-70	167	0	0	0	111.7	N473 L474 L488 A514 S516 I520 A521 S522	N473-I518 HydrophobicContact CB-CG2 3.88Å; N473-I518 VanDerWaalsContact O-CG2 3.23Å; N473-I518 WeakPolarHBondContact O-CG2 3.34Å; L474-I518 HydrophobicContact CB-CD1 3.85Å; L474-I518 HydrophobicContact CD1-CD1 3.58Å; L474-I518 HydrophobicContact CG-CD1 4.2Å; L488-I518 HydrophobicContact CD1-CB 4.11Å; L488-I518 HydrophobicContact CD1-CG2 3.9Å; A514-I518 VanDerWaalsContact O-CG1 3.28Å; A514-I518 WeakPolarHBondContact O-CG1 3.43Å; A514-I518 PolarHBondContact O-N 3.06Å; S516-I518 VanDerWaalsContact C-N 3.31Å; S516-I518 PolarHBondContact O-N 3.45Å; I518-I520 VanDerWaalsContact C-N 3.33Å; I518-A521 PolarHBondContact O-N 2.85Å; I518-S522 WeakPolarHBondContact O-CB 3.32Å; I518-S522 PolarHBondContact O-N 3.03Å; I518-S522 PolarHBondContact O-OG 2.81Å
519	Q	89.8	Confident	88.5	Confident	17 Å²	17	22.8 Å²	22.8	8%	0.079	12%	0.116	C	C	.	.	H	α-helix	trans	-65	-39.7	173.9	-67	-173.5	-30.6	0	0	111.7	L488 L515 S516 E517 S522 A523 P528 T823	L488-Q519 HydrophobicContact CD1-CG 4.2Å; L515-Q519 WeakPolarHBondContact O-CG 3.34Å; L515-Q519 PolarHBondContact O-N 3.48Å; S516-Q519 WeakPolarHBondContact O-CB 3.43Å; S516-Q519 PolarHBondContact O-N 3.04Å; S516-Q519 VanDerWaalsContact O-N 3.15Å; E517-Q519 VanDerWaalsContact C-N 3.28Å; E517-Q519 PolarHBondContact O-N 3.36Å; Q519-S522 PolarHBondContact O-N 3.48Å; Q519-A523 PolarHBondContact O-N 3.42Å; Q519-P528 HydrophobicContact CB-CG 4.17Å; Q519-T823 VanDerWaalsContact CD-OG1 3.27Å; Q519-T823 PolarHBondContact NE2-OG1 2.88Å; Q519-T823 PolarHBondContact OE1-OG1 3.47Å
520	I	90.2	Very high	88.9	Confident	2 Å²	2	21.6 Å²	21.6	1%	0.01	11%	0.108	C	C	.	.	H	α-helix	trans	-65.4	-44.7	176.5	-67.9	153.4	0	0	0	110.7	I140 L142 S516 E517 I518 S522 A523 L527 P528 I530 L542 I546	I140-I520 HydrophobicContact CD1-CG2 4.15Å; L142-I520 HydrophobicContact CD1-CG2 4.09Å; S516-I520 WeakPolarHBondContact O-CD1 2.99Å; S516-I520 WeakPolarHBondContact O-CG1 3.41Å; S516-I520 PolarHBondContact O-N 3.39Å; S516-I520 VanDerWaalsContact O-N 3.14Å; E517-I520 CarbonylContact O-C 3.56Å; E517-I520 WeakPolarHBondContact O-CA 3.46Å; E517-I520 WeakPolarHBondContact O-CB 3.34Å; E517-I520 PolarHBondContact O-N 3.43Å; I518-I520 VanDerWaalsContact C-N 3.33Å; I520-S522 PolarHBondContact O-N 3.48Å; I520-A523 VanDerWaalsContact O-CB 3.26Å; I520-A523 WeakPolarHBondContact O-CB 3.48Å; I520-A523 PolarHBondContact O-N 3.32Å; I520-L527 HydrophobicContact CG2-CD2 3.74Å; I520-P528 HydrophobicContact CG1-CG 3.95Å; I520-I530 HydrophobicContact CD1-CD1 4.08Å; I520-I530 HydrophobicContact CG1-CD1 3.96Å; I520-L542 HydrophobicContact CD1-CD1 4.46Å; I520-I546 HydrophobicContact CD1-CD1 3.27Å; I520-I546 HydrophobicContact CD1-CG1 3.75Å; I520-I546 HydrophobicContact CG1-CD1 4.41Å
521	A	88.5	Confident	89.2	Confident	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-67.9	-22.4	176.1	0	0	0	0	0	112.9	Q131 S134 I135 L146 E517 I518	Q131-A521 WeakPolarHBondContact CA-O 3.15Å; Q131-A521 HydrophobicContact CB-CB 4.45Å; Q131-A521 HydrophobicContact CG-CB 4.49Å; S134-A521 VanDerWaalsContact CB-O 3.25Å; S134-A521 WeakPolarHBondContact CB-O 3.44Å; S134-A521 PolarHBondContact OG-O 2.8Å; I135-A521 HydrophobicContact CG2-CB 4.36Å; L146-A521 HydrophobicContact CD2-CB 4.45Å; E517-A521 PolarHBondContact O-N 3.05Å; I518-A521 PolarHBondContact O-N 2.85Å
522	S	87.9	Confident	89.4	Confident	29 Å²	29	20.2 Å²	20.2	20%	0.203	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	6.1	178.8	-57.2	0	0	0	0	114	N473 I518 Q519 I520	N473-S522 PolarHBondContact ND2-OG 3.32Å; I518-S522 WeakPolarHBondContact O-CB 3.32Å; I518-S522 PolarHBondContact O-N 3.03Å; I518-S522 PolarHBondContact O-OG 2.81Å; Q519-S522 PolarHBondContact O-N 3.48Å; I520-S522 PolarHBondContact O-N 3.48Å
523	A	82.2	Confident	89.5	Confident	7 Å²	7	20.1 Å²	20.1	6%	0.058	10%	0.099	C	C	.	.			trans	-65.9	136.5	-171.7	0	0	0	0	0	113	S134 T138 Q519 I520 N526	S134-A523 VanDerWaalsContact CB-O 3.25Å; S134-A523 WeakPolarHBondContact CB-O 3.47Å; S134-A523 PolarHBondContact OG-N 2.68Å; S134-A523 PolarHBondContact OG-O 2.85Å; T138-A523 HydrophobicContact CG2-CB 4.46Å; Q519-A523 PolarHBondContact O-N 3.42Å; I520-A523 VanDerWaalsContact O-CB 3.26Å; I520-A523 WeakPolarHBondContact O-CB 3.48Å; I520-A523 PolarHBondContact O-N 3.32Å; A523-N526 VanDerWaalsContact CB-O 3.28Å; A523-N526 WeakPolarHBondContact CB-O 3.47Å
524	Q	75.2	Confident	89.4	Confident	127 Å²	127	20.4 Å²	20.4	59%	0.593	10%	0.1	S	C	*	.	S	Bend	trans	-77.6	-70.6	-177.3	-66.3	-62.5	-39.2	0	0	110.9	R137	R137-Q524 PolarHBondContact NE-O 2.95Å; R137-Q524 VanDerWaalsContact NH2-C 3.3Å; R137-Q524 PolarHBondContact NH2-O 3.13Å
525	K	79.9	Confident	89.1	Confident	167 Å²	167	23 Å²	23	73%	0.726	11%	0.112	S	C	*	.	S	Bend	trans	-107	-44.9	-171.4	-169.8	176.7	178.1	-177	0	112.9
526	N	86.6	Confident	88.5	Confident	49 Å²	49	23.7 Å²	23.7	26%	0.262	12%	0.118	S	C	.	.	S	Bend	trans	-128	170.2	-179.3	-55.1	-46	0	0	0	108.2	A523	A523-N526 VanDerWaalsContact CB-O 3.28Å; A523-N526 WeakPolarHBondContact CB-O 3.47Å
527	L	90.3	Very high	87.7	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.14	C	C	.	.			trans	-51.1	148.2	169.8	-69.2	174.9	0	0	0	111.1	I140 I520 I546 L550 E557 R753 V754	I140-L527 HydrophobicContact CD1-CD2 3.35Å; I140-L527 HydrophobicContact CD1-CG 4.42Å; I140-L527 HydrophobicContact CG1-CD2 4.31Å; I520-L527 HydrophobicContact CG2-CD2 3.74Å; L527-I546 HydrophobicContact CD1-CG2 4.14Å; L527-L550 HydrophobicContact CD1-CD1 3.92Å; L527-L550 HydrophobicContact CD1-CD2 4.37Å; L527-E557 HydrophobicContact CD1-CB 3.68Å; L527-E557 VanDerWaalsContact CD1-OE2 3.32Å; L527-E557 WeakPolarHBondContact CD1-OE2 3.39Å; L527-E557 WeakPolarHBondContact CG-OE2 3.21Å; L527-R753 HydrophobicContact CB-CB 4.09Å; L527-R753 VanDerWaalsContact O-CZ 3.23Å; L527-R753 PolarHBondContact O-NE 3.32Å; L527-R753 PolarHBondContact O-NH2 2.9Å; L527-V754 HydrophobicContact CD1-CG2 4.44Å
528	P	90.8	Very high	87	Confident	14 Å²	14	28.9 Å²	28.9	9%	0.091	14%	0.142	C	C	.	.			trans	-67	155.7	170.9	31.1	-36.4	0	0	0	110.4	Q519 I520 I530	Q519-P528 HydrophobicContact CB-CG 4.17Å; I520-P528 HydrophobicContact CG1-CG 3.95Å; P528-I530 HydrophobicContact CB-CG1 4.33Å; P528-I530 HydrophobicContact CG-CD1 3.83Å; P528-I530 HydrophobicContact CG-CG1 4.03Å; P528-I530 PolarHBondContact O-N 2.74Å
529	F	92.8	Very high	86.6	Confident	1 Å²	1	28.8 Å²	28.8	0%	0.004	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	116	169.7	-73.6	-63.1	0	0	0	110.3	R753 F789 Q816 L817 K822 T823	F529-R753 CarbonylContact C-O 3.5Å; F529-R753 VanDerWaalsContact CA-O 3.29Å; F529-R753 WeakPolarHBondContact CA-O 3.39Å; F529-R753 HydrophobicContact CD1-CB 4.08Å; F529-R753 HydrophobicContact CE1-CB 4.13Å; F529-R753 HydrophobicContact CE1-CG 4.08Å; F529-R753 VanDerWaalsContact CE2-NH2 3.26Å; F529-F789 HydrophobicContact CB-CE1 3.81Å; F529-F789 HydrophobicContact CB-CZ 3.76Å; F529-F789 HydrophobicContact CD1-CE1 4.15Å; F529-F789 HydrophobicContact CG-CE1 4.15Å; F529-Q816 HydrophobicContact CE2-CB 4.19Å; F529-Q816 HydrophobicContact CZ-CB 4.4Å; F529-L817 HydrophobicContact CD1-CD2 4.34Å; F529-L817 HydrophobicContact CD2-CD2 3.66Å; F529-L817 HydrophobicContact CE1-CD2 4.39Å; F529-L817 HydrophobicContact CE2-CD2 3.64Å; F529-L817 HydrophobicContact CE2-CG 4.23Å; F529-L817 HydrophobicContact CG-CD2 4Å; F529-L817 HydrophobicContact CZ-CD2 4.01Å; F529-K822 HydrophobicContact CB-CB 4.16Å; F529-K822 HydrophobicContact CB-CG 3.76Å; F529-K822 HydrophobicContact CD2-CD 4.49Å; F529-K822 HydrophobicContact CD2-CG 4.26Å; F529-K822 HydrophobicContact CG-CG 4.3Å; F529-K822 CarbonylContact O-C 3.57Å; F529-T823 PolarHBondContact O-N 3.26Å
530	I	94.3	Very high	86.3	Confident	1 Å²	1	29.9 Å²	29.9	1%	0.005	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	119.3	-179.8	-56.4	-178.6	0	0	0	109.3	I520 P528 R753 V754 V755 T823	I520-I530 HydrophobicContact CD1-CD1 4.08Å; I520-I530 HydrophobicContact CG1-CD1 3.96Å; P528-I530 HydrophobicContact CB-CG1 4.33Å; P528-I530 HydrophobicContact CG-CD1 3.83Å; P528-I530 HydrophobicContact CG-CG1 4.03Å; P528-I530 PolarHBondContact O-N 2.74Å; I530-R753 PolarHBondContact N-O 3.43Å; I530-V754 HydrophobicContact CB-CG1 4.23Å; I530-V754 HydrophobicContact CB-CG2 4.27Å; I530-V754 HydrophobicContact CG1-CG2 4.5Å; I530-V754 CarbonylContact O-C 3.5Å; I530-V754 WeakPolarHBondContact O-CA 3.45Å; I530-V755 PolarHBondContact O-N 3.4Å; I530-T823 CarbonylContact C-O 3.58Å; I530-T823 WeakPolarHBondContact CA-O 3Å
531	A	94.3	Very high	85.7	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	113.4	169.6	0	0	0	0	0	108.6	I533 A785 F789 T823 K824 V825	A531-I533 HydrophobicContact CB-CD1 4.45Å; A531-A785 HydrophobicContact CB-CB 3.61Å; A531-A785 WeakPolarHBondContact CB-O 3.32Å; A531-F789 HydrophobicContact CB-CE2 3.85Å; A531-F789 HydrophobicContact CB-CZ 4.09Å; A531-T823 PolarHBondContact N-O 2.86Å; A531-K824 HydrophobicContact CB-CG 4.24Å; A531-K824 CarbonylContact O-C 3.54Å; A531-K824 WeakPolarHBondContact O-CA 3.26Å; A531-V825 PolarHBondContact O-N 3.49Å
532	Y	94.3	Very high	85.4	Confident	3 Å²	3	30.5 Å²	30.5	1%	0.012	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	115.9	-179.6	-156.7	-51.6	0	0	0	109.6	I512 N513 D534 A539 V755 A756 V757 V825 D827	I512-Y532 HydrophobicContact CG2-CE2 3.72Å; I512-Y532 WeakPolarHBondContact CG2-OH 3.4Å; N513-Y532 VanDerWaalsContact OD1-CE2 3.29Å; N513-Y532 WeakPolarHBondContact OD1-CE2 3.3Å; Y532-D534 HydrophobicContact CD1-CB 4.04Å; Y532-D534 HydrophobicContact CE1-CB 3.94Å; Y532-A539 HydrophobicContact CD1-CB 3.39Å; Y532-A539 HydrophobicContact CD2-CB 4.04Å; Y532-A539 HydrophobicContact CE1-CB 3.73Å; Y532-A539 HydrophobicContact CE2-CB 4.32Å; Y532-A539 HydrophobicContact CG-CB 3.57Å; Y532-V755 PolarHBondContact N-O 2.62Å; Y532-A756 CarbonylContact O-C 3.5Å; Y532-A756 VanDerWaalsContact O-CA 3.29Å; Y532-A756 WeakPolarHBondContact O-CA 3.48Å; Y532-V757 PolarHBondContact O-N 2.82Å; Y532-V825 HydrophobicContact CD1-CB 4.07Å; Y532-V825 HydrophobicContact CD1-CG1 3.98Å; Y532-V825 HydrophobicContact CD2-CB 3.89Å; Y532-V825 HydrophobicContact CD2-CG1 4.02Å; Y532-V825 HydrophobicContact CD2-CG2 3.98Å; Y532-V825 HydrophobicContact CE1-CB 4.32Å; Y532-V825 HydrophobicContact CE1-CG1 3.71Å; Y532-V825 HydrophobicContact CE2-CB 4.16Å; Y532-V825 HydrophobicContact CE2-CG1 3.76Å; Y532-V825 HydrophobicContact CE2-CG2 4.28Å; Y532-V825 HydrophobicContact CG-CB 3.84Å; Y532-V825 HydrophobicContact CG-CG1 4.12Å; Y532-V825 HydrophobicContact CG-CG2 4.36Å; Y532-D827 HydrophobicContact CE1-CB 4.03Å
533	I	93.4	Very high	85.5	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	113.6	176.9	-55.6	83.1	0	0	0	107.5	A531 L759 Y778 A781 V825 Y826 D827	A531-I533 HydrophobicContact CB-CD1 4.45Å; I533-L759 HydrophobicContact CG2-CD1 3.64Å; I533-L759 HydrophobicContact CG2-CG 4.01Å; I533-Y778 HydrophobicContact CG2-CD1 3.58Å; I533-Y778 HydrophobicContact CG2-CE1 3.88Å; I533-A781 HydrophobicContact CG1-CB 4.01Å; I533-A781 HydrophobicContact CG2-CB 3.68Å; I533-V825 WeakPolarHBondContact CD1-O 3.43Å; I533-V825 PolarHBondContact N-O 2.84Å; I533-Y826 HydrophobicContact CB-CD1 4Å; I533-Y826 HydrophobicContact CB-CE1 4.31Å; I533-Y826 HydrophobicContact CD1-CD1 4.1Å; I533-Y826 HydrophobicContact CD1-CE1 3.79Å; I533-Y826 HydrophobicContact CD1-CE2 4.48Å; I533-Y826 HydrophobicContact CG1-CD1 4.24Å; I533-Y826 HydrophobicContact CG1-CE1 4.05Å; I533-Y826 HydrophobicContact CG2-CD1 4.45Å; I533-D827 PolarHBondContact O-N 3.08Å
534	D	88.9	Confident	85.6	Confident	5 Å²	5	33.6 Å²	33.6	3%	0.027	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	145.8	-174.6	-168.9	6	0	0	0	110.2	Y532 S538 A539 V757 D758 L759	Y532-D534 HydrophobicContact CD1-CB 4.04Å; Y532-D534 HydrophobicContact CE1-CB 3.94Å; D534-S538 WeakPolarHBondContact OD2-CA 3.36Å; D534-S538 WeakPolarHBondContact OD2-CB 3.25Å; D534-S538 PolarHBondContact OD2-N 2.92Å; D534-S538 PolarHBondContact OD2-OG 3.06Å; D534-A539 HydrophobicContact CB-CB 4.01Å; D534-A539 PolarHBondContact OD2-N 2.86Å; D534-V757 PolarHBondContact N-O 2.76Å; D534-D758 CarbonylContact O-C 3.57Å; D534-D758 WeakPolarHBondContact O-CA 3.45Å; D534-L759 WeakPolarHBondContact O-CB 2.88Å; D534-L759 PolarHBondContact O-N 2.7Å
535	K	84.8	Confident	85.9	Confident	56 Å²	56	28 Å²	28	24%	0.243	14%	0.138	C	C	.	.	S	Bend	trans	-102.2	75.1	163.6	-173.4	-174.4	172.7	172.1	0	107	A763 E828 N831	K535-A763 HydrophobicContact CD-CB 4.06Å; K535-A763 HydrophobicContact CG-CB 4.31Å; K535-E828 HydrophobicContact CB-CB 4.31Å; K535-N831 HydrophobicContact CD-CB 4.25Å; K535-N831 WeakPolarHBondContact CD-ND2 3.41Å; K535-N831 PolarHBondContact NZ-OD1 2.85Å
536	G	80.1	Confident	86.3	Confident	14 Å²	14	20.2 Å²	20.2	14%	0.144	10%	0.104	C	C	.	.	S	Bend	trans	150.5	-176	-173.3	0	0	0	0	0	113.7	D758	G536-D758 PolarHBondContact N-OD1 3.04Å
537	F	76	Confident	86.5	Confident	104 Å²	104	21 Å²	21	46%	0.456	10%	0.103	S	C	.	.	S	Bend	trans	-94.9	9.3	-173	-60.9	-75.5	0	0	0	114.2	Q540 D758	F537-Q540 PolarHBondContact O-N 3.16Å; F537-D758 WeakPolarHBondContact CE1-OD2 3.12Å
538	S	74.3	Confident	86.2	Confident	8 Å²	8	23.3 Å²	23.3	6%	0.056	12%	0.116	C	C	.	.	H	α-helix	trans	-72.4	-42.4	-169.2	77.4	0	0	0	0	112.3	N513 D534 Q540 G541	N513-S538 PolarHBondContact ND2-O 3.35Å; N513-S538 VanDerWaalsContact ND2-O 3.16Å; D534-S538 WeakPolarHBondContact OD2-CA 3.36Å; D534-S538 WeakPolarHBondContact OD2-CB 3.25Å; D534-S538 PolarHBondContact OD2-N 2.92Å; D534-S538 PolarHBondContact OD2-OG 3.06Å; S538-Q540 VanDerWaalsContact C-N 3.29Å; S538-Q540 PolarHBondContact O-N 2.92Å; S538-G541 PolarHBondContact O-N 2.89Å
539	A	84.1	Confident	86.1	Confident	1 Å²	1	22.8 Å²	22.8	1%	0.008	11%	0.113	C	C	.	.	H	α-helix	trans	-69	-27.7	178.2	0	0	0	0	0	112.9	Y532 D534 G541 L542 V543 A756	Y532-A539 HydrophobicContact CD1-CB 3.39Å; Y532-A539 HydrophobicContact CD2-CB 4.04Å; Y532-A539 HydrophobicContact CE1-CB 3.73Å; Y532-A539 HydrophobicContact CE2-CB 4.32Å; Y532-A539 HydrophobicContact CG-CB 3.57Å; D534-A539 HydrophobicContact CB-CB 4.01Å; D534-A539 PolarHBondContact OD2-N 2.86Å; A539-G541 VanDerWaalsContact C-N 3.3Å; A539-G541 PolarHBondContact O-N 2.94Å; A539-L542 PolarHBondContact O-N 2.81Å; A539-V543 PolarHBondContact O-N 2.86Å; A539-A756 HydrophobicContact CB-CB 3.64Å
540	Q	83.3	Confident	86	Confident	39 Å²	39	23.1 Å²	23.1	18%	0.182	11%	0.114	C	C	.	.	H	α-helix	trans	-64.6	-35.4	176.7	-61.8	-59.4	-34.4	0	0	111.8	F537 S538 V543 Q544 I561 A756	F537-Q540 PolarHBondContact O-N 3.16Å; S538-Q540 VanDerWaalsContact C-N 3.29Å; S538-Q540 PolarHBondContact O-N 2.92Å; Q540-V543 PolarHBondContact O-N 2.7Å; Q540-Q544 PolarHBondContact O-N 2.95Å; Q540-I561 PolarHBondContact NE2-O 2.97Å; Q540-A756 PolarHBondContact NE2-O 2.86Å
541	G	77	Confident	85.7	Confident	13 Å²	13	25.1 Å²	25.1	13%	0.134	13%	0.127	C	C	.	.	H	α-helix	trans	-62.3	-42.2	174.5	0	0	0	0	0	112.7	S538 A539 Q544 L545	S538-G541 PolarHBondContact O-N 2.89Å; A539-G541 VanDerWaalsContact C-N 3.3Å; A539-G541 PolarHBondContact O-N 2.94Å; G541-Q544 PolarHBondContact O-N 3.48Å; G541-L545 PolarHBondContact O-N 3.32Å; G541-L545 VanDerWaalsContact O-N 3.07Å
542	L	83.7	Confident	85.3	Confident	3 Å²	3	31.5 Å²	31.5	2%	0.016	16%	0.157	C	C	.	.	H	α-helix	trans	-64.1	-46.1	175.5	175.6	65.3	0	0	0	111.5	I520 A539 Q544 L545 I546 L947	I520-L542 HydrophobicContact CD1-CD1 4.46Å; A539-L542 PolarHBondContact O-N 2.81Å; L542-Q544 VanDerWaalsContact C-N 3.31Å; L542-Q544 PolarHBondContact O-N 2.96Å; L542-L545 WeakPolarHBondContact O-CB 3.33Å; L542-L545 PolarHBondContact O-N 3.13Å; L542-I546 HydrophobicContact CD1-CD1 4.17Å; L542-I546 HydrophobicContact CD1-CG1 4.46Å; L542-I546 HydrophobicContact CG-CD1 3.97Å; L542-I546 WeakPolarHBondContact O-CD1 3.21Å; L542-I546 VanDerWaalsContact O-CG1 3.28Å; L542-I546 WeakPolarHBondContact O-CG1 3.23Å; L542-I546 PolarHBondContact O-N 2.81Å; L542-L947 HydrophobicContact CD1-CD2 4.27Å
543	V	89.4	Confident	85.2	Confident	5 Å²	5	38.8 Å²	38.8	3%	0.03	19%	0.191	C	C	.	.	H	α-helix	trans	-60.1	-43.2	177.1	169.7	0	0	0	0	111.4	A539 Q540 L545 I546 R547 A558 V754 A756	A539-V543 PolarHBondContact O-N 2.86Å; Q540-V543 PolarHBondContact O-N 2.7Å; V543-L545 VanDerWaalsContact C-N 3.34Å; V543-L545 PolarHBondContact O-N 3.37Å; V543-I546 PolarHBondContact O-N 2.87Å; V543-R547 HydrophobicContact CG1-CG 4.23Å; V543-R547 WeakPolarHBondContact O-CG 3.37Å; V543-R547 PolarHBondContact O-N 3.07Å; V543-A558 HydrophobicContact CG1-CB 4.33Å; V543-V754 HydrophobicContact CG2-CG1 4.26Å; V543-A756 HydrophobicContact CG2-CB 3.44Å; V543-A756 VanDerWaalsContact CG2-CB 3.44Å
544	Q	83.7	Confident	85.1	Confident	96 Å²	96	41 Å²	41	45%	0.449	20%	0.2	S	C	.	.	H	α-helix	trans	-61	-44.2	177.8	-171.4	62.9	44.8	0	0	111.5	Q540 G541 L542 I546 R547 D548	Q540-Q544 PolarHBondContact O-N 2.95Å; G541-Q544 PolarHBondContact O-N 3.48Å; L542-Q544 VanDerWaalsContact C-N 3.31Å; L542-Q544 PolarHBondContact O-N 2.96Å; Q544-I546 VanDerWaalsContact C-N 3.29Å; Q544-I546 PolarHBondContact O-N 2.94Å; Q544-R547 PolarHBondContact O-N 2.89Å; Q544-D548 PolarHBondContact NE2-OD1 3.17Å; Q544-D548 WeakPolarHBondContact O-CB 3.44Å; Q544-D548 PolarHBondContact O-N 3.42Å
545	L	81.4	Confident	85.2	Confident	8 Å²	8	43.1 Å²	43.1	4%	0.042	21%	0.209	C	C	.	.	H	α-helix	trans	-56.7	-44.7	175.6	176.4	66.8	0	0	0	111.7	G541 L542 V543 D548 S549 A946 L947	G541-L545 PolarHBondContact O-N 3.32Å; G541-L545 VanDerWaalsContact O-N 3.07Å; L542-L545 WeakPolarHBondContact O-CB 3.33Å; L542-L545 PolarHBondContact O-N 3.13Å; V543-L545 VanDerWaalsContact C-N 3.34Å; V543-L545 PolarHBondContact O-N 3.37Å; L545-D548 PolarHBondContact O-N 3.5Å; L545-S549 WeakPolarHBondContact O-CB 3.47Å; L545-S549 PolarHBondContact O-N 3.36Å; L545-S549 PolarHBondContact O-OG 2.89Å; L545-A946 HydrophobicContact CD1-CB 3.93Å; L545-A946 HydrophobicContact CD2-CB 3.8Å; L545-A946 HydrophobicContact CG-CB 4.37Å; L545-L947 HydrophobicContact CD2-CD2 4.29Å
546	I	89	Confident	85.6	Confident	5 Å²	5	44.8 Å²	44.8	3%	0.026	22%	0.22	C	C	.	.	H	α-helix	trans	-64.4	-49.4	179.2	-63.6	161.2	0	0	0	110.1	I520 L527 L542 V543 Q544 D548 S549 L550 A558 V754	I520-I546 HydrophobicContact CD1-CD1 3.27Å; I520-I546 HydrophobicContact CD1-CG1 3.75Å; I520-I546 HydrophobicContact CG1-CD1 4.41Å; L527-I546 HydrophobicContact CD1-CG2 4.14Å; L542-I546 HydrophobicContact CD1-CD1 4.17Å; L542-I546 HydrophobicContact CD1-CG1 4.46Å; L542-I546 HydrophobicContact CG-CD1 3.97Å; L542-I546 WeakPolarHBondContact O-CD1 3.21Å; L542-I546 VanDerWaalsContact O-CG1 3.28Å; L542-I546 WeakPolarHBondContact O-CG1 3.23Å; L542-I546 PolarHBondContact O-N 2.81Å; V543-I546 PolarHBondContact O-N 2.87Å; Q544-I546 VanDerWaalsContact C-N 3.29Å; Q544-I546 PolarHBondContact O-N 2.94Å; I546-D548 VanDerWaalsContact C-N 3.28Å; I546-D548 PolarHBondContact O-N 3.44Å; I546-S549 CarbonylContact O-C 3.55Å; I546-S549 WeakPolarHBondContact O-CA 3.29Å; I546-S549 PolarHBondContact O-N 3.23Å; I546-L550 HydrophobicContact CG2-CD1 3.71Å; I546-L550 HydrophobicContact CG2-CG 4.29Å; I546-L550 VanDerWaalsContact O-CG 3.27Å; I546-L550 WeakPolarHBondContact O-CG 3.19Å; I546-L550 PolarHBondContact O-N 3.41Å; I546-L550 VanDerWaalsContact O-N 3.09Å; I546-A558 HydrophobicContact CB-CB 4.15Å; I546-A558 HydrophobicContact CG2-CB 3.63Å; I546-V754 HydrophobicContact CD1-CG1 3.91Å; I546-V754 HydrophobicContact CD1-CG2 4.39Å
547	R	90	Very high	86.2	Confident	64 Å²	64	45.3 Å²	45.3	24%	0.242	22%	0.219	C	C	.	.	H	α-helix	trans	-59	-39.8	178.3	-71.9	-179.4	71.4	94.9	-2.2	112.1	V543 Q544 S549 L550 K555 D556 A558	V543-R547 HydrophobicContact CG1-CG 4.23Å; V543-R547 WeakPolarHBondContact O-CG 3.37Å; V543-R547 PolarHBondContact O-N 3.07Å; Q544-R547 PolarHBondContact O-N 2.89Å; R547-S549 PolarHBondContact O-N 2.89Å; R547-L550 PolarHBondContact O-N 3.33Å; R547-K555 PolarHBondContact NH1-O 3.13Å; R547-D556 IonicContact NH1-OD1 3.83Å; R547-A558 VanDerWaalsContact CD-O 3.24Å; R547-A558 WeakPolarHBondContact CD-O 3.45Å; R547-A558 HydrophobicContact CG-CB 3.92Å; R547-A558 WeakPolarHBondContact CG-O 3.34Å; R547-A558 PolarHBondContact NH1-O 3.31Å
548	D	85.7	Confident	87.1	Confident	50 Å²	50	40.3 Å²	40.3	27%	0.267	20%	0.197	S	C	.	.	H	α-helix	trans	-68.3	-25.1	176.7	-67.3	-15.1	0	0	0	112.5	Q544 L545 I546 S966	Q544-D548 PolarHBondContact NE2-OD1 3.17Å; Q544-D548 WeakPolarHBondContact O-CB 3.44Å; Q544-D548 PolarHBondContact O-N 3.42Å; L545-D548 PolarHBondContact O-N 3.5Å; I546-D548 VanDerWaalsContact C-N 3.28Å; I546-D548 PolarHBondContact O-N 3.44Å; D548-S966 WeakPolarHBondContact OD2-CB 3.34Å; D548-S966 PolarHBondContact OD2-OG 3.31Å
549	S	86.9	Confident	88	Confident	3 Å²	3	41.3 Å²	41.3	2%	0.021	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-3.3	178.9	-52.5	0	0	0	0	113	L141 L545 I546 R547	L141-S549 PolarHBondContact N-O 3.47Å; L545-S549 WeakPolarHBondContact O-CB 3.47Å; L545-S549 PolarHBondContact O-N 3.36Å; L545-S549 PolarHBondContact O-OG 2.89Å; I546-S549 CarbonylContact O-C 3.55Å; I546-S549 WeakPolarHBondContact O-CA 3.29Å; I546-S549 PolarHBondContact O-N 3.23Å; R547-S549 PolarHBondContact O-N 2.89Å
550	L	90.8	Very high	88.4	Confident	8 Å²	8	42.9 Å²	42.9	4%	0.042	22%	0.219	C	C	.	.	S	Bend	trans	-103.8	147.6	179.8	-73.4	168.4	0	0	0	111.3	I140 L527 I546 R547 R554 E557 A558	I140-L550 HydrophobicContact CG1-CD2 4.09Å; L527-L550 HydrophobicContact CD1-CD1 3.92Å; L527-L550 HydrophobicContact CD1-CD2 4.37Å; I546-L550 HydrophobicContact CG2-CD1 3.71Å; I546-L550 HydrophobicContact CG2-CG 4.29Å; I546-L550 VanDerWaalsContact O-CG 3.27Å; I546-L550 WeakPolarHBondContact O-CG 3.19Å; I546-L550 PolarHBondContact O-N 3.41Å; I546-L550 VanDerWaalsContact O-N 3.09Å; R547-L550 PolarHBondContact O-N 3.33Å; L550-R554 HydrophobicContact CB-CB 4.46Å; L550-R554 HydrophobicContact CD2-CB 4.45Å; L550-E557 HydrophobicContact CD1-CB 4.36Å; L550-A558 HydrophobicContact CD1-CB 4.42Å
551	P	87.9	Confident	88.8	Confident	43 Å²	43	42 Å²	42	28%	0.279	22%	0.215	S	C	.	.			trans	-56.9	151.9	166.5	-22.7	33.3	0	0	0	112.2	Q553 R554 K555	P551-Q553 VanDerWaalsContact C-N 3.3Å; P551-Q553 PolarHBondContact O-N 3.33Å; P551-R554 PolarHBondContact O-N 3.03Å; P551-K555 PolarHBondContact O-N 3.13Å
552	E	87.7	Confident	89.4	Confident	134 Å²	134	45.1 Å²	45.1	63%	0.626	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-49.9	-48.3	-175.7	-166.1	63.1	-139.3	0	0	112.9	R554 K555	E552-R554 PolarHBondContact O-N 2.99Å; E552-R554 VanDerWaalsContact O-N 3.1Å; E552-K555 VanDerWaalsContact CD-NZ 3.32Å; E552-K555 PolarHBondContact O-N 3.07Å; E552-K555 WeakPolarHBondContact OE1-CD 3.26Å; E552-K555 IonicContact OE1-NZ 3.58Å; E552-K555 PolarHBondContact OE1-NZ 2.73Å; E552-K555 VanDerWaalsContact OE2-CE 3.25Å; E552-K555 WeakPolarHBondContact OE2-CE 3.48Å; E552-K555 IonicContact OE2-NZ 3.64Å; E552-K555 PolarHBondContact OE2-NZ 3.3Å
553	Q	90.5	Very high	89.7	Confident	155 Å²	155	45 Å²	45	72%	0.724	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-68.6	-7.4	-178.1	72.8	-76.6	5.7	0	0	114.8	P551	P551-Q553 VanDerWaalsContact C-N 3.3Å; P551-Q553 PolarHBondContact O-N 3.33Å
554	R	92.1	Very high	89.8	Confident	48 Å²	48	45.9 Å²	45.9	18%	0.181	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-114.4	0.9	-179.8	-68.5	177.7	61.3	-146.6	-8	112.9	T138 L550 P551 E552 D556 E557	T138-R554 PolarHBondContact O-NH1 3.42Å; L550-R554 HydrophobicContact CB-CB 4.46Å; L550-R554 HydrophobicContact CD2-CB 4.45Å; P551-R554 PolarHBondContact O-N 3.03Å; E552-R554 PolarHBondContact O-N 2.99Å; E552-R554 VanDerWaalsContact O-N 3.1Å; R554-D556 PolarHBondContact O-N 3.38Å; R554-D556 VanDerWaalsContact O-N 3.13Å; R554-E557 HydrophobicContact CB-CG 4.4Å; R554-E557 WeakPolarHBondContact CG-OE1 3.16Å; R554-E557 IonicContact CZ-OE1 2.76Å; R554-E557 IonicContact CZ-OE2 3.24Å; R554-E557 IonicContact NE-OE1 2.73Å; R554-E557 PolarHBondContact NE-OE1 2.86Å; R554-E557 IonicContact NE-OE2 2.77Å; R554-E557 IonicContact NH2-OE1 3.76Å; R554-E557 PolarHBondContact NH2-OE1 3.45Å; R554-E557 IonicContact NH2-OE2 2.94Å; R554-E557 PolarHBondContact NH2-OE2 3.37Å; R554-E557 VanDerWaalsContact O-CB 3.26Å; R554-E557 WeakPolarHBondContact O-CB 3.18Å; R554-E557 WeakPolarHBondContact O-CG 3.24Å; R554-E557 PolarHBondContact O-N 3.39Å
555	K	91.9	Very high	90.2	Very high	49 Å²	49	43.3 Å²	43.3	21%	0.213	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-59.3	-27.5	-178.2	-74.4	-177.8	174.4	173.8	0	112.8	R547 P551 E552 E557 A558	R547-K555 PolarHBondContact NH1-O 3.13Å; P551-K555 PolarHBondContact O-N 3.13Å; E552-K555 VanDerWaalsContact CD-NZ 3.32Å; E552-K555 PolarHBondContact O-N 3.07Å; E552-K555 WeakPolarHBondContact OE1-CD 3.26Å; E552-K555 IonicContact OE1-NZ 3.58Å; E552-K555 PolarHBondContact OE1-NZ 2.73Å; E552-K555 VanDerWaalsContact OE2-CE 3.25Å; E552-K555 WeakPolarHBondContact OE2-CE 3.48Å; E552-K555 IonicContact OE2-NZ 3.64Å; E552-K555 PolarHBondContact OE2-NZ 3.3Å; K555-E557 PolarHBondContact O-N 2.89Å; K555-A558 PolarHBondContact O-N 3.06Å
556	D	91.9	Very high	90.6	Very high	90 Å²	90	46 Å²	46	48%	0.481	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-72.2	-7.4	176.8	-62.5	-28.2	0	0	0	114.1	R547 R554 A558 T752	R547-D556 IonicContact NH1-OD1 3.83Å; R554-D556 PolarHBondContact O-N 3.38Å; R554-D556 VanDerWaalsContact O-N 3.13Å; D556-A558 PolarHBondContact O-N 2.89Å; D556-T752 WeakPolarHBondContact O-CA 3.4Å; D556-T752 WeakPolarHBondContact O-CB 3.3Å; D556-T752 PolarHBondContact O-OG1 3.28Å
557	E	94	Very high	90.6	Very high	25 Å²	25	49.3 Å²	49.3	12%	0.117	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-65.8	-22.2	167.9	-64.5	179.8	-157.6	0	0	112	L527 L550 R554 K555 R753 V754	L527-E557 HydrophobicContact CD1-CB 3.68Å; L527-E557 VanDerWaalsContact CD1-OE2 3.32Å; L527-E557 WeakPolarHBondContact CD1-OE2 3.39Å; L527-E557 WeakPolarHBondContact CG-OE2 3.21Å; L550-E557 HydrophobicContact CD1-CB 4.36Å; R554-E557 HydrophobicContact CB-CG 4.4Å; R554-E557 WeakPolarHBondContact CG-OE1 3.16Å; R554-E557 IonicContact CZ-OE1 2.76Å; R554-E557 IonicContact CZ-OE2 3.24Å; R554-E557 IonicContact NE-OE1 2.73Å; R554-E557 PolarHBondContact NE-OE1 2.86Å; R554-E557 IonicContact NE-OE2 2.77Å; R554-E557 IonicContact NH2-OE1 3.76Å; R554-E557 PolarHBondContact NH2-OE1 3.45Å; R554-E557 IonicContact NH2-OE2 2.94Å; R554-E557 PolarHBondContact NH2-OE2 3.37Å; R554-E557 VanDerWaalsContact O-CB 3.26Å; R554-E557 WeakPolarHBondContact O-CB 3.18Å; R554-E557 WeakPolarHBondContact O-CG 3.24Å; R554-E557 PolarHBondContact O-N 3.39Å; K555-E557 PolarHBondContact O-N 2.89Å; E557-R753 PolarHBondContact O-N 3.33Å; E557-V754 PolarHBondContact O-N 2.89Å
558	A	94.3	Very high	90.4	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	118	179.2	0	0	0	0	0	111.4	V543 I546 R547 L550 K555 D556 V754	V543-A558 HydrophobicContact CG1-CB 4.33Å; I546-A558 HydrophobicContact CB-CB 4.15Å; I546-A558 HydrophobicContact CG2-CB 3.63Å; R547-A558 VanDerWaalsContact CD-O 3.24Å; R547-A558 WeakPolarHBondContact CD-O 3.45Å; R547-A558 HydrophobicContact CG-CB 3.92Å; R547-A558 WeakPolarHBondContact CG-O 3.34Å; R547-A558 PolarHBondContact NH1-O 3.31Å; L550-A558 HydrophobicContact CD1-CB 4.42Å; K555-A558 PolarHBondContact O-N 3.06Å; D556-A558 PolarHBondContact O-N 2.89Å; A558-V754 CarbonylContact C-O 3.57Å; A558-V754 WeakPolarHBondContact CA-O 3.16Å; A558-V754 HydrophobicContact CB-CB 4.12Å
559	V	93.9	Very high	90.4	Very high	29 Å²	29	53.9 Å²	53.9	18%	0.176	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	134	-173.5	-179.5	0	0	0	0	111.1	I561 L748 T752 V754 V755 A756	V559-I561 HydrophobicContact CG1-CG1 4.09Å; V559-L748 HydrophobicContact CB-CD2 4.08Å; V559-L748 HydrophobicContact CG1-CD2 3.85Å; V559-L748 HydrophobicContact CG2-CD2 4.32Å; V559-T752 HydrophobicContact CB-CG2 4.17Å; V559-T752 HydrophobicContact CG2-CG2 3.84Å; V559-V754 PolarHBondContact N-O 3.11Å; V559-V755 WeakPolarHBondContact O-CA 3.25Å; V559-A756 PolarHBondContact O-N 2.96Å
560	G	92	Very high	90.6	Very high	34 Å²	34	54 Å²	54	35%	0.351	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	125.3	172.4	0	0	0	0	0	109.5	A756	G560-A756 CarbonylContact C-O 3.49Å; G560-A756 WeakPolarHBondContact CA-O 3.03Å
561	I	91.2	Very high	90.7	Very high	19 Å²	19	56.5 Å²	56.5	10%	0.097	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	125	178.4	-56.3	175.1	0	0	0	107.9	Q540 V559 F746 L748 V755 A756 V757 D758 I784	Q540-I561 PolarHBondContact NE2-O 2.97Å; V559-I561 HydrophobicContact CG1-CG1 4.09Å; I561-F746 HydrophobicContact CD1-CE2 3.97Å; I561-L748 HydrophobicContact CD1-CD2 4.03Å; I561-V755 HydrophobicContact CD1-CG1 4.02Å; I561-A756 PolarHBondContact N-O 2.82Å; I561-V757 HydrophobicContact CB-CG2 4.4Å; I561-V757 HydrophobicContact CD1-CG2 4.37Å; I561-V757 CarbonylContact O-C 3.58Å; I561-V757 WeakPolarHBondContact O-CA 3.36Å; I561-D758 PolarHBondContact O-N 2.67Å; I561-I784 HydrophobicContact CD1-CG2 3.88Å
562	I	90.5	Very high	91	Very high	79 Å²	79	54.7 Å²	54.7	41%	0.405	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	109.3	165.4	-59.1	174	0	0	0	106.2	S564 N761	I562-S564 PolarHBondContact O-N 3.35Å; I562-N761 WeakPolarHBondContact CG2-ND2 3.36Å
563	L	89.6	Confident	91.3	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.01	25%	0.254	C	S	.	.			trans	-76.2	127.7	-176.7	-157.6	61.7	0	0	0	108.9	M739 V757 D758 L759 N761 V762 A781 I784	L563-M739 HydrophobicContact CD1-CE 3.43Å; L563-M739 VanDerWaalsContact CD1-CE 3.43Å; L563-M739 HydrophobicContact CD2-CE 3.71Å; L563-M739 HydrophobicContact CG-CE 3.37Å; L563-V757 HydrophobicContact CB-CG1 4.02Å; L563-V757 HydrophobicContact CD2-CG1 4.13Å; L563-V757 HydrophobicContact CG-CG1 4.49Å; L563-D758 VanDerWaalsContact CB-O 3.26Å; L563-D758 WeakPolarHBondContact CB-O 3.4Å; L563-D758 PolarHBondContact N-O 3.12Å; L563-L759 HydrophobicContact CB-CD2 4.42Å; L563-L759 HydrophobicContact CD2-CD2 3.63Å; L563-N761 WeakPolarHBondContact O-CB 3.47Å; L563-V762 HydrophobicContact CB-CG2 4.17Å; L563-V762 HydrophobicContact CD2-CG2 4.09Å; L563-V762 HydrophobicContact CG-CG1 4.4Å; L563-V762 HydrophobicContact CG-CG2 4.27Å; L563-V762 WeakPolarHBondContact O-CG1 3.14Å; L563-A781 HydrophobicContact CD2-CB 4.49Å; L563-I784 HydrophobicContact CD1-CD1 4.19Å
564	S	91.5	Very high	91.5	Very high	22 Å²	22	41 Å²	41	15%	0.154	22%	0.219	C	C	.	.			trans	-125.2	148.1	175.9	70.5	0	0	0	0	109.5	I562 D566 H569 V762	I562-S564 PolarHBondContact O-N 3.35Å; S564-D566 PolarHBondContact O-N 2.93Å; S564-H569 WeakPolarHBondContact OG-CB 3.29Å; S564-H569 VanDerWaalsContact OG-CG 3.29Å; S564-H569 PolarHBondContact OG-ND1 2.58Å; S564-V762 VanDerWaalsContact C-CG1 3.46Å
565	N	91.5	Very high	91.6	Very high	43 Å²	43	39.4 Å²	39.4	23%	0.23	21%	0.214	C	C	.	.	S	Bend	trans	-86.4	57.5	176.8	-167.3	36.4	0	0	0	110.1	D736 Y737 P738 M739 V762	N565-D736 PolarHBondContact ND2-O 3.06Å; N565-Y737 WeakPolarHBondContact OD1-CA 3.37Å; N565-P738 VanDerWaalsContact OD1-CD 3.3Å; N565-P738 WeakPolarHBondContact OD1-CD 3.5Å; N565-M739 HydrophobicContact CB-SD 4.21Å; N565-M739 VanDerWaalsContact OD1-CG 3.24Å; N565-M739 WeakPolarHBondContact OD1-CG 3.38Å; N565-V762 HydrophobicContact CB-CG1 4.06Å; N565-V762 VanDerWaalsContact N-CG1 3.35Å
566	D	90.7	Very high	91.7	Very high	65 Å²	65	37.5 Å²	37.5	35%	0.348	21%	0.206	S	C	.	.	S	Bend	trans	-124.2	135.4	-172.8	-167.6	-58.9	0	0	0	110.1	S564 D568 H569	S564-D566 PolarHBondContact O-N 2.93Å; D566-D568 PolarHBondContact O-N 3.03Å; D566-D568 VanDerWaalsContact O-N 3.17Å; D566-D568 WeakPolarHBondContact OD1-CB 3.41Å; D566-D568 PolarHBondContact OD1-N 2.97Å; D566-H569 CarbonylContact O-C 3.57Å; D566-H569 PolarHBondContact O-N 3.36Å
567	P	87.9	Confident	91.7	Very high	73 Å²	73	33.9 Å²	33.9	47%	0.474	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-51.1	-31.5	173.3	-25.8	32.5	0	0	0	115.2	H569 T570 P738	P567-H569 PolarHBondContact O-N 2.95Å; P567-T570 VanDerWaalsContact C-OG1 3.31Å; P567-T570 WeakPolarHBondContact CA-OG1 3.28Å; P567-T570 WeakPolarHBondContact O-CB 2.98Å; P567-T570 PolarHBondContact O-N 2.71Å; P567-T570 PolarHBondContact O-OG1 3.16Å; P567-P738 HydrophobicContact CG-CB 3.94Å
568	D	86.8	Confident	91.6	Very high	122 Å²	122	33.6 Å²	33.6	65%	0.652	19%	0.185	S	C	*	.	G	3₁₀ helix	trans	-68.6	-21.3	179.3	-70.5	-19.8	0	0	0	112.4	D566 R745	D566-D568 PolarHBondContact O-N 3.03Å; D566-D568 VanDerWaalsContact O-N 3.17Å; D566-D568 WeakPolarHBondContact OD1-CB 3.41Å; D566-D568 PolarHBondContact OD1-N 2.97Å; D568-R745 WeakPolarHBondContact O-CB 3.46Å
569	H	85.4	Confident	91.5	Very high	88 Å²	88	33.8 Å²	33.8	41%	0.407	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-108.5	32.6	178.8	-60.7	81.6	0	0	0	111.6	S564 D566 P567 F746	S564-H569 WeakPolarHBondContact OG-CB 3.29Å; S564-H569 VanDerWaalsContact OG-CG 3.29Å; S564-H569 PolarHBondContact OG-ND1 2.58Å; D566-H569 CarbonylContact O-C 3.57Å; D566-H569 PolarHBondContact O-N 3.36Å; P567-H569 PolarHBondContact O-N 2.95Å; H569-F746 WeakPolarHBondContact O-CE1 3.38Å
570	T	91.4	Very high	91.5	Very high	6 Å²	6	32.9 Å²	32.9	4%	0.037	18%	0.182	C	C	.	.			trans	-69.7	135.8	-175.8	-63.2	0	0	0	0	112.8	P567 P738 M739 G742 C743 T744 R745	P567-T570 VanDerWaalsContact C-OG1 3.31Å; P567-T570 WeakPolarHBondContact CA-OG1 3.28Å; P567-T570 WeakPolarHBondContact O-CB 2.98Å; P567-T570 PolarHBondContact O-N 2.71Å; P567-T570 PolarHBondContact O-OG1 3.16Å; T570-P738 PolarHBondContact OG1-O 3.12Å; T570-M739 CarbonylContact C-O 3.58Å; T570-M739 WeakPolarHBondContact CA-O 3.4Å; T570-G742 VanDerWaalsContact CG2-C 3.42Å; T570-G742 WeakPolarHBondContact CG2-O 3.23Å; T570-C743 WeakPolarHBondContact CG2-O 3.41Å; T570-T744 CarbonylContact O-C 3.5Å; T570-T744 WeakPolarHBondContact O-CA 3.47Å; T570-R745 PolarHBondContact O-N 2.8Å
571	R	91.2	Very high	91.6	Very high	60 Å²	60	36.8 Å²	36.8	23%	0.226	19%	0.186	C	C	.	.			trans	-126	110.5	164.7	-177.2	76.5	177.4	127.8	10.5	108.4	L573 D575 M739 M740 T744 F746 I784	R571-L573 PolarHBondContact O-N 3.12Å; R571-D575 IonicContact CZ-OD2 2.82Å; R571-D575 IonicContact NH1-OD2 3.84Å; R571-D575 PolarHBondContact NH1-OD2 3.41Å; R571-D575 IonicContact NH2-OD2 2.78Å; R571-M739 PolarHBondContact N-O 3.17Å; R571-M740 VanDerWaalsContact O-CA 3.31Å; R571-M740 WeakPolarHBondContact O-CA 3.36Å; R571-T744 VanDerWaalsContact NH1-CG2 3.28Å; R571-T744 PolarHBondContact NH1-OG1 2.85Å; R571-F746 HydrophobicContact CB-CE1 4.04Å; R571-F746 HydrophobicContact CB-CZ 4.16Å; R571-I784 HydrophobicContact CB-CD1 4.33Å; R571-I784 HydrophobicContact CG-CD1 4.22Å; R571-I784 HydrophobicContact CG-CG1 4.06Å
572	N	94.4	Very high	91.7	Very high	5 Å²	5	41.2 Å²	41.2	3%	0.027	21%	0.205	C	C	.	.			trans	-59.9	131.8	-176.9	-177.2	10.1	0	0	0	111.6	F574 D575 M691 P692 G742 T744	N572-F574 PolarHBondContact O-N 3.24Å; N572-F574 PolarHBondContact OD1-N 3.34Å; N572-F574 VanDerWaalsContact OD1-N 3.1Å; N572-D575 WeakPolarHBondContact CB-OD1 3.44Å; N572-D575 PolarHBondContact ND2-OD1 2.93Å; N572-D575 PolarHBondContact O-N 2.93Å; N572-M691 WeakPolarHBondContact ND2-CB 3.31Å; N572-P692 PolarHBondContact ND2-O 3.07Å; N572-P692 PolarHBondContact OD1-O 2.84Å; N572-G742 WeakPolarHBondContact CA-O 3.26Å; N572-G742 VanDerWaalsContact CB-O 3.26Å; N572-G742 WeakPolarHBondContact CB-O 3.44Å; N572-T744 PolarHBondContact N-OG1 2.83Å
573	L	93.7	Very high	92	Very high	3 Å²	3	38.3 Å²	38.3	2%	0.016	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-31.5	176.6	-179.1	61.8	0	0	0	113	R571 F590 V594 L595 L694 M740	R571-L573 PolarHBondContact O-N 3.12Å; L573-F590 HydrophobicContact CD1-CD1 4.47Å; L573-F590 HydrophobicContact CD1-CE1 3.59Å; L573-F590 HydrophobicContact CD1-CZ 3.86Å; L573-V594 HydrophobicContact CD1-CB 3.9Å; L573-V594 HydrophobicContact CD1-CG1 3.78Å; L573-V594 HydrophobicContact CD1-CG2 4.05Å; L573-V594 HydrophobicContact CD2-CB 4.38Å; L573-V594 HydrophobicContact CD2-CG1 3.91Å; L573-L595 HydrophobicContact CD2-CD2 3.77Å; L573-L595 HydrophobicContact CD2-CG 4.17Å; L573-L694 HydrophobicContact CD2-CD1 4.44Å; L573-M740 HydrophobicContact CB-CB 4.49Å; L573-M740 PolarHBondContact N-O 3.22Å
574	F	95.8	Very high	92.1	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	12	-174.8	-58.8	-83.1	0	0	0	113.6	N572 V576 M591 L595 F625 P692 L694 M697	N572-F574 PolarHBondContact O-N 3.24Å; N572-F574 PolarHBondContact OD1-N 3.34Å; N572-F574 VanDerWaalsContact OD1-N 3.1Å; F574-V576 PolarHBondContact O-N 2.95Å; F574-M591 HydrophobicContact CD1-CG 4.49Å; F574-M591 HydrophobicContact CD1-SD 3.94Å; F574-L595 HydrophobicContact CE1-CD1 4.19Å; F574-L595 HydrophobicContact CZ-CD1 4.11Å; F574-L595 HydrophobicContact CZ-CD2 4.27Å; F574-F625 HydrophobicContact CB-CZ 4.05Å; F574-F625 HydrophobicContact CD1-CE2 4.16Å; F574-F625 HydrophobicContact CD1-CZ 4.47Å; F574-F625 WeakPolarHBondContact O-CZ 3.47Å; F574-P692 HydrophobicContact CB-CB 4.08Å; F574-P692 HydrophobicContact CB-CG 4.35Å; F574-P692 WeakPolarHBondContact CB-O 3.28Å; F574-P692 HydrophobicContact CD1-CB 4.48Å; F574-P692 HydrophobicContact CG-CB 4.08Å; F574-L694 HydrophobicContact CE2-CB 4.07Å; F574-L694 HydrophobicContact CE2-CD1 4.27Å; F574-L694 HydrophobicContact CZ-CD1 4.43Å; F574-M697 HydrophobicContact CE1-CE 3.57Å; F574-M697 HydrophobicContact CE1-CG 4.37Å; F574-M697 HydrophobicContact CE1-SD 3.76Å; F574-M697 HydrophobicContact CE2-CG 3.97Å; F574-M697 HydrophobicContact CE2-SD 4.2Å; F574-M697 HydrophobicContact CZ-CE 3.63Å; F574-M697 HydrophobicContact CZ-CG 3.54Å; F574-M697 HydrophobicContact CZ-SD 3.52Å; F574-M697 VanDerWaalsContact CZ-SD 3.52Å
575	D	93.8	Very high	92.2	Very high	14 Å²	14	40.1 Å²	40.1	8%	0.075	20%	0.202	C	C	.	.			trans	-63.7	128.8	171.6	-80.6	-6.5	0	0	0	110.4	R571 N572 Y688 T744	R571-D575 IonicContact CZ-OD2 2.82Å; R571-D575 IonicContact NH1-OD2 3.84Å; R571-D575 PolarHBondContact NH1-OD2 3.41Å; R571-D575 IonicContact NH2-OD2 2.78Å; N572-D575 WeakPolarHBondContact CB-OD1 3.44Å; N572-D575 PolarHBondContact ND2-OD1 2.93Å; N572-D575 PolarHBondContact O-N 2.93Å; D575-Y688 HydrophobicContact CB-CD1 4.35Å; D575-Y688 HydrophobicContact CB-CE1 4.4Å; D575-Y688 VanDerWaalsContact CG-CD1 3.41Å; D575-Y688 WeakPolarHBondContact OD1-CD1 3.39Å; D575-Y688 WeakPolarHBondContact OD2-CD1 3.44Å; D575-Y688 WeakPolarHBondContact OD2-CE1 3.36Å; D575-T744 WeakPolarHBondContact OD2-CB 3.34Å; D575-T744 PolarHBondContact OD2-OG1 2.8Å
576	V	93.9	Very high	92.1	Very high	8 Å²	8	39 Å²	39	5%	0.048	20%	0.197	C	C	.	.			trans	-110.6	172.3	175.6	-58.4	0	0	0	0	110.4	F574 Y578 A580 P583 M591 F625 H687 M691	F574-V576 PolarHBondContact O-N 2.95Å; V576-Y578 PolarHBondContact O-N 3.17Å; V576-A580 HydrophobicContact CG2-CB 3.95Å; V576-P583 HydrophobicContact CG1-CB 3.77Å; V576-M591 HydrophobicContact CG1-CE 3.79Å; V576-F625 HydrophobicContact CG1-CE1 3.57Å; V576-F625 HydrophobicContact CG1-CE2 4.47Å; V576-F625 HydrophobicContact CG1-CZ 3.47Å; V576-F625 VanDerWaalsContact CG1-CZ 3.47Å; V576-H687 PolarHBondContact O-NE2 2.86Å; V576-M691 HydrophobicContact CG2-CE 4.28Å; V576-M691 HydrophobicContact CG2-SD 3.7Å
577	M	91.6	Very high	92.2	Very high	15 Å²	15	36.8 Å²	36.8	7%	0.074	18%	0.184	C	C	.	.	S	Bend	trans	-50.2	133.3	173.1	-176.2	-177.6	61.3	0	0	111.6	G579 A580 E587 H687 I798 L802 I810	M577-G579 PolarHBondContact O-N 2.91Å; M577-A580 HydrophobicContact CE-CB 4.38Å; M577-A580 WeakPolarHBondContact O-CB 3.43Å; M577-A580 PolarHBondContact O-N 3.03Å; M577-E587 WeakPolarHBondContact CB-OE1 3.48Å; M577-E587 PolarHBondContact N-OE1 2.83Å; M577-H687 PolarHBondContact O-CE1 3.24Å; M577-I798 HydrophobicContact CE-CB 4.48Å; M577-I798 HydrophobicContact CE-CG1 4.09Å; M577-I798 HydrophobicContact CE-CG2 3.83Å; M577-I798 HydrophobicContact SD-CD1 4.22Å; M577-I798 HydrophobicContact SD-CG1 4.26Å; M577-I798 HydrophobicContact SD-CG2 4.13Å; M577-L802 HydrophobicContact CE-CB 4.35Å; M577-L802 HydrophobicContact CE-CD1 4.05Å; M577-L802 HydrophobicContact CE-CD2 3.88Å; M577-L802 HydrophobicContact CE-CG 4.31Å; M577-I810 HydrophobicContact CG-CD1 3.74Å; M577-I810 HydrophobicContact CG-CG1 4.35Å; M577-I810 HydrophobicContact SD-CD1 4.08Å; M577-I810 HydrophobicContact SD-CG1 4.2Å; M577-I810 HydrophobicContact SD-CG2 3.54Å; M577-I810 VanDerWaalsContact SD-CG2 3.54Å
578	Y	91.8	Very high	92.5	Very high	19 Å²	19	35.2 Å²	35.2	8%	0.075	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	133.1	179.7	176.6	-114.1	0	0	0	112.2	V576 A580 R671 H675 A683 Q684 H687 Y806	V576-Y578 PolarHBondContact O-N 3.17Å; Y578-A580 VanDerWaalsContact C-N 3.29Å; Y578-A580 PolarHBondContact O-N 2.95Å; Y578-R671 HydrophobicContact CE2-CG 3.98Å; Y578-H675 AromaticContact CE1-ND1 3.51Å; Y578-H675 AromaticContact CZ-ND1 3.75Å; Y578-H675 WeakPolarHBondContact OH-CB 3.46Å; Y578-H675 PolarHBondContact OH-ND1 3.19Å; Y578-H675 VanDerWaalsContact OH-ND1 3.1Å; Y578-A683 HydrophobicContact CE2-CB 4.16Å; Y578-A683 WeakPolarHBondContact OH-CB 3.47Å; Y578-Q684 HydrophobicContact CD2-CB 4.46Å; Y578-Q684 HydrophobicContact CD2-CG 3.65Å; Y578-Q684 HydrophobicContact CE2-CB 4.45Å; Y578-Q684 HydrophobicContact CE2-CG 3.74Å; Y578-Q684 HydrophobicContact CG-CG 4.07Å; Y578-H687 HydrophobicContact CD2-CB 3.92Å; Y578-H687 AromaticContact CD2-CG 3.99Å; Y578-H687 HydrophobicContact CE2-CB 4.18Å; Y578-Y806 AromaticContact CD1-CD1 3.95Å; Y578-Y806 HydrophobicContact CD1-CD1 3.95Å; Y578-Y806 HydrophobicContact CD1-CE1 4.26Å; Y578-Y806 AromaticContact CE1-CD1 3.62Å; Y578-Y806 HydrophobicContact CE1-CD1 3.62Å; Y578-Y806 AromaticContact CE1-CE1 3.66Å; Y578-Y806 HydrophobicContact CE1-CE1 3.66Å; Y578-Y806 HydrophobicContact CE2-CE1 4.34Å; Y578-Y806 AromaticContact CZ-CE1 3.7Å
579	G	93.3	Very high	92.7	Very high	4 Å²	4	32.9 Å²	32.9	4%	0.041	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.5	-23.8	-174.9	0	0	0	0	0	114.9	M577 R671 H687	M577-G579 PolarHBondContact O-N 2.91Å; G579-R671 VanDerWaalsContact C-NH1 3.32Å; G579-R671 PolarHBondContact O-NH1 3.04Å; G579-R671 VanDerWaalsContact O-NH1 3.14Å; G579-R671 PolarHBondContact O-NH2 2.98Å; G579-H687 PolarHBondContact N-CE1 3.05Å; G579-H687 PolarHBondContact N-ND1 3.24Å
580	A	94.1	Very high	93	Very high	10 Å²	10	29.9 Å²	29.9	8%	0.083	14%	0.143	C	C	.	.			trans	-70.7	159	176.1	0	0	0	0	0	111.8	V576 M577 Y578 R671 H687 L802	V576-A580 HydrophobicContact CG2-CB 3.95Å; M577-A580 HydrophobicContact CE-CB 4.38Å; M577-A580 WeakPolarHBondContact O-CB 3.43Å; M577-A580 PolarHBondContact O-N 3.03Å; Y578-A580 VanDerWaalsContact C-N 3.29Å; Y578-A580 PolarHBondContact O-N 2.95Å; A580-R671 PolarHBondContact O-NH1 3.48Å; A580-H687 PolarHBondContact O-CE1 2.94Å; A580-H687 VanDerWaalsContact O-CE1 3.28Å; A580-L802 HydrophobicContact CB-CD1 4.35Å
581	R	93.5	Very high	93.2	Very high	115 Å²	115	29.7 Å²	29.7	43%	0.434	14%	0.142	S	C	.	.	S	Bend	trans	-113.7	-9	171.6	-63.2	-170	179.2	-158.4	0.6	112.9	F625 F668	R581-F625 VanDerWaalsContact O-CD1 3.3Å; R581-F625 WeakPolarHBondContact O-CD1 3.29Å; R581-F668 HydrophobicContact CB-CE1 4.31Å; R581-F668 HydrophobicContact CB-CZ 4.37Å; R581-F668 HydrophobicContact CG-CD1 4.07Å; R581-F668 HydrophobicContact CG-CE1 3.8Å; R581-F668 HydrophobicContact CG-CZ 4.2Å
582	K	94	Very high	93.3	Very high	112 Å²	112	27.3 Å²	27.3	49%	0.487	13%	0.134	S	C	.	.	S	Bend	trans	-147.2	152.3	-179.1	66.5	-175.7	179.2	-175.1	0	108.6	F625	K582-F625 HydrophobicContact CB-CB 4.22Å
583	P	95.3	Very high	93.1	Very high	18 Å²	18	29 Å²	29	12%	0.117	15%	0.147	C	C	.	.			trans	-69	147.1	-175.9	26.4	-34.2	0	0	0	110.7	V576 E587 K588 M591 V621 F625	V576-P583 HydrophobicContact CG1-CB 3.77Å; P583-E587 WeakPolarHBondContact CA-OE2 3.48Å; P583-E587 HydrophobicContact CB-CB 3.78Å; P583-K588 HydrophobicContact CB-CB 4.13Å; P583-K588 HydrophobicContact CG-CB 4.01Å; P583-M591 HydrophobicContact CB-CE 4.02Å; P583-M591 HydrophobicContact CB-SD 4.31Å; P583-M591 HydrophobicContact CG-SD 4.36Å; P583-V621 HydrophobicContact CG-CG1 4.44Å; P583-F625 HydrophobicContact CB-CE2 4.47Å; P583-F625 VanDerWaalsContact CD-CE2 3.45Å; P583-F625 VanDerWaalsContact CD-CG 3.49Å; P583-F625 HydrophobicContact CG-CD2 3.84Å; P583-F625 HydrophobicContact CG-CE2 3.72Å; P583-F625 HydrophobicContact CG-CG 4.49Å; P583-F625 HydrophobicContact CG-CZ 4.26Å
584	V	93.6	Very high	93.1	Very high	7 Å²	7	29 Å²	29	4%	0.042	15%	0.146	C	C	.	.			trans	-74.6	161.9	160.9	-66.9	0	0	0	0	110.3	P586 E587 K588 L791 E797 I798	V584-P586 VanDerWaalsContact C-CD 3.47Å; V584-P586 HydrophobicContact CG2-CG 3.8Å; V584-P586 VanDerWaalsContact O-N 3.15Å; V584-E587 HydrophobicContact CG2-CB 4.29Å; V584-E587 HydrophobicContact CG2-CG 3.75Å; V584-E587 WeakPolarHBondContact CG2-OE2 3.28Å; V584-E587 PolarHBondContact N-OE2 2.67Å; V584-E587 WeakPolarHBondContact O-CB 3.38Å; V584-E587 PolarHBondContact O-N 3.09Å; V584-K588 PolarHBondContact O-N 3.32Å; V584-L791 HydrophobicContact CG2-CD2 4.24Å; V584-E797 VanDerWaalsContact CA-OE1 3.29Å; V584-E797 WeakPolarHBondContact CA-OE1 3.27Å; V584-I798 HydrophobicContact CG1-CG1 3.82Å
585	T	92.7	Very high	93	Very high	56 Å²	56	29 Å²	29	34%	0.344	15%	0.146	S	C	.	.	H	α-helix	trans	-41.4	-50.9	-179.2	-58.3	0	0	0	0	115.2	E587 K588 N589 Y794 E797	T585-E587 PolarHBondContact O-N 3.17Å; T585-K588 PolarHBondContact O-N 3.26Å; T585-N589 WeakPolarHBondContact O-CB 3.4Å; T585-N589 PolarHBondContact O-N 3.19Å; T585-N589 PolarHBondContact O-ND2 3.05Å; T585-Y794 HydrophobicContact CG2-CE1 3.76Å; T585-E797 WeakPolarHBondContact CB-OE2 3.45Å; T585-E797 PolarHBondContact N-OE1 3.09Å; T585-E797 PolarHBondContact OG1-OE1 2.85Å; T585-E797 PolarHBondContact OG1-OE2 3.47Å
586	P	89.3	Confident	92.9	Very high	20 Å²	20	29.1 Å²	29.1	13%	0.13	15%	0.149	C	C	.	.	H	α-helix	trans	-68.5	-34.6	-178.5	27.3	-36.2	0	0	0	113.5	V584 N589 F590 V790 Y794	V584-P586 VanDerWaalsContact C-CD 3.47Å; V584-P586 HydrophobicContact CG2-CG 3.8Å; V584-P586 VanDerWaalsContact O-N 3.15Å; P586-N589 PolarHBondContact O-N 3.48Å; P586-F590 PolarHBondContact O-N 3.05Å; P586-V790 HydrophobicContact CB-CG2 3.76Å; P586-V790 HydrophobicContact CG-CG2 4.11Å; P586-Y794 HydrophobicContact CB-CD2 4.26Å; P586-Y794 HydrophobicContact CB-CE2 3.86Å; P586-Y794 HydrophobicContact CG-CD2 3.56Å; P586-Y794 HydrophobicContact CG-CE2 3.67Å; P586-Y794 HydrophobicContact CG-CG 4.01Å
587	E	93.3	Very high	92.8	Very high	18 Å²	18	28.9 Å²	28.9	8%	0.084	15%	0.147	C	C	.	.	H	α-helix	trans	-67.1	-43.7	176.5	-66	173.3	153.2	0	0	110.4	M577 P583 V584 T585 N589 F590 M591	M577-E587 WeakPolarHBondContact CB-OE1 3.48Å; M577-E587 PolarHBondContact N-OE1 2.83Å; P583-E587 WeakPolarHBondContact CA-OE2 3.48Å; P583-E587 HydrophobicContact CB-CB 3.78Å; V584-E587 HydrophobicContact CG2-CB 4.29Å; V584-E587 HydrophobicContact CG2-CG 3.75Å; V584-E587 WeakPolarHBondContact CG2-OE2 3.28Å; V584-E587 PolarHBondContact N-OE2 2.67Å; V584-E587 WeakPolarHBondContact O-CB 3.38Å; V584-E587 PolarHBondContact O-N 3.09Å; T585-E587 PolarHBondContact O-N 3.17Å; E587-N589 VanDerWaalsContact C-N 3.35Å; E587-N589 PolarHBondContact O-N 2.87Å; E587-F590 WeakPolarHBondContact O-CB 3.37Å; E587-F590 PolarHBondContact O-N 3.33Å; E587-M591 HydrophobicContact CB-CE 4.3Å; E587-M591 VanDerWaalsContact O-CG 3.31Å; E587-M591 WeakPolarHBondContact O-CG 3.22Å; E587-M591 PolarHBondContact O-N 3.23Å
588	K	94.7	Very high	92.9	Very high	40 Å²	40	29.1 Å²	29.1	17%	0.174	15%	0.149	C	C	.	.	H	α-helix	trans	-60.2	-46.2	173.9	-179.7	177.2	177.8	174.5	0	111	P583 V584 T585 F590 M591 V592 S618 V621 D622	P583-K588 HydrophobicContact CB-CB 4.13Å; P583-K588 HydrophobicContact CG-CB 4.01Å; V584-K588 PolarHBondContact O-N 3.32Å; T585-K588 PolarHBondContact O-N 3.26Å; K588-F590 VanDerWaalsContact C-N 3.29Å; K588-F590 PolarHBondContact O-N 2.87Å; K588-M591 PolarHBondContact O-N 3.24Å; K588-V592 HydrophobicContact CG-CG2 4.26Å; K588-V592 WeakPolarHBondContact O-CB 3.43Å; K588-V592 VanDerWaalsContact O-CG2 3.29Å; K588-V592 WeakPolarHBondContact O-CG2 3.27Å; K588-V592 PolarHBondContact O-N 2.61Å; K588-S618 WeakPolarHBondContact CE-OG 3.41Å; K588-S618 PolarHBondContact NZ-OG 2.96Å; K588-V621 HydrophobicContact CG-CG1 4.23Å; K588-D622 WeakPolarHBondContact CE-OD1 3.46Å; K588-D622 IonicContact NZ-OD1 3.72Å; K588-D622 PolarHBondContact NZ-OD1 2.77Å; K588-D622 IonicContact NZ-OD2 3.68Å; K588-D622 PolarHBondContact NZ-OD2 3.09Å
589	N	90.7	Very high	92.9	Very high	73 Å²	73	28.2 Å²	28.2	39%	0.39	15%	0.145	S	C	.	.	H	α-helix	trans	-58.7	-42.9	178.3	-73.1	-18.7	0	0	0	111.3	T585 P586 E587 V592 S593	T585-N589 WeakPolarHBondContact O-CB 3.4Å; T585-N589 PolarHBondContact O-N 3.19Å; T585-N589 PolarHBondContact O-ND2 3.05Å; P586-N589 PolarHBondContact O-N 3.48Å; E587-N589 VanDerWaalsContact C-N 3.35Å; E587-N589 PolarHBondContact O-N 2.87Å; N589-V592 PolarHBondContact O-N 3.02Å; N589-S593 WeakPolarHBondContact O-CB 3.38Å; N589-S593 PolarHBondContact O-N 3.04Å; N589-S593 PolarHBondContact O-OG 3.32Å; N589-S593 VanDerWaalsContact O-OG 3.1Å
590	F	91.2	Very high	92.8	Very high	25 Å²	25	28.7 Å²	28.7	11%	0.11	15%	0.147	C	C	.	.	H	α-helix	trans	-60	-50	174.2	164.5	-102.8	0	0	0	112.3	L573 P586 E587 K588 V592 S593 V594 L779 L780 Q783	L573-F590 HydrophobicContact CD1-CD1 4.47Å; L573-F590 HydrophobicContact CD1-CE1 3.59Å; L573-F590 HydrophobicContact CD1-CZ 3.86Å; P586-F590 PolarHBondContact O-N 3.05Å; E587-F590 WeakPolarHBondContact O-CB 3.37Å; E587-F590 PolarHBondContact O-N 3.33Å; K588-F590 VanDerWaalsContact C-N 3.29Å; K588-F590 PolarHBondContact O-N 2.87Å; F590-V592 VanDerWaalsContact C-N 3.34Å; F590-V592 PolarHBondContact O-N 3.43Å; F590-S593 PolarHBondContact O-N 3.31Å; F590-V594 HydrophobicContact CD2-CG2 4.08Å; F590-V594 HydrophobicContact CE1-CG2 4.49Å; F590-V594 HydrophobicContact CE2-CG2 3.57Å; F590-V594 HydrophobicContact CZ-CG2 3.81Å; F590-V594 WeakPolarHBondContact O-CG2 3.49Å; F590-V594 PolarHBondContact O-N 2.73Å; F590-L779 HydrophobicContact CE2-CB 4.33Å; F590-L780 HydrophobicContact CZ-CD1 4.15Å; F590-Q783 HydrophobicContact CD1-CB 4.48Å; F590-Q783 HydrophobicContact CD1-CG 3.83Å; F590-Q783 HydrophobicContact CD2-CB 3.91Å; F590-Q783 HydrophobicContact CD2-CG 4.09Å; F590-Q783 HydrophobicContact CE1-CB 4.12Å; F590-Q783 HydrophobicContact CE1-CG 3.64Å; F590-Q783 HydrophobicContact CE2-CB 3.5Å; F590-Q783 VanDerWaalsContact CE2-CB 3.5Å; F590-Q783 HydrophobicContact CE2-CG 3.92Å; F590-Q783 HydrophobicContact CG-CB 4.39Å; F590-Q783 HydrophobicContact CG-CG 4.04Å; F590-Q783 HydrophobicContact CZ-CB 3.61Å; F590-Q783 HydrophobicContact CZ-CG 3.7Å
591	M	94.6	Very high	92.4	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.005	16%	0.156	C	C	.	.	H	α-helix	trans	-57.7	-47.6	178.2	-66.3	169.3	-165.4	0	0	111	F574 V576 P583 E587 K588 S593 V594 L595 V621 F625	F574-M591 HydrophobicContact CD1-CG 4.49Å; F574-M591 HydrophobicContact CD1-SD 3.94Å; V576-M591 HydrophobicContact CG1-CE 3.79Å; P583-M591 HydrophobicContact CB-CE 4.02Å; P583-M591 HydrophobicContact CB-SD 4.31Å; P583-M591 HydrophobicContact CG-SD 4.36Å; E587-M591 HydrophobicContact CB-CE 4.3Å; E587-M591 VanDerWaalsContact O-CG 3.31Å; E587-M591 WeakPolarHBondContact O-CG 3.22Å; E587-M591 PolarHBondContact O-N 3.23Å; K588-M591 PolarHBondContact O-N 3.24Å; M591-S593 VanDerWaalsContact C-N 3.35Å; M591-S593 PolarHBondContact O-N 3.48Å; M591-V594 PolarHBondContact O-N 2.84Å; M591-L595 WeakPolarHBondContact O-CB 3.21Å; M591-L595 VanDerWaalsContact O-CG 3.25Å; M591-L595 WeakPolarHBondContact O-CG 3.35Å; M591-L595 PolarHBondContact O-N 3Å; M591-V621 HydrophobicContact CB-CG2 4.28Å; M591-V621 HydrophobicContact SD-CG1 4.02Å; M591-F625 HydrophobicContact CE-CE2 4.14Å; M591-F625 HydrophobicContact CE-CZ 3.92Å; M591-F625 HydrophobicContact SD-CE2 3.69Å; M591-F625 HydrophobicContact SD-CZ 4.08Å
592	V	93.9	Very high	91.8	Very high	10 Å²	10	28.4 Å²	28.4	6%	0.061	16%	0.156	C	C	.	.	H	α-helix	trans	-60.5	-44.2	177.2	171.9	0	0	0	0	110.9	K588 N589 F590 V594 L595 C596 R614 I617 V621	K588-V592 HydrophobicContact CG-CG2 4.26Å; K588-V592 WeakPolarHBondContact O-CB 3.43Å; K588-V592 VanDerWaalsContact O-CG2 3.29Å; K588-V592 WeakPolarHBondContact O-CG2 3.27Å; K588-V592 PolarHBondContact O-N 2.61Å; N589-V592 PolarHBondContact O-N 3.02Å; F590-V592 VanDerWaalsContact C-N 3.34Å; F590-V592 PolarHBondContact O-N 3.43Å; V592-V594 PolarHBondContact O-N 2.99Å; V592-L595 PolarHBondContact O-N 2.77Å; V592-C596 VanDerWaalsContact O-CB 3.25Å; V592-C596 WeakPolarHBondContact O-CB 3.42Å; V592-C596 PolarHBondContact O-N 2.95Å; V592-C596 PolarHBondContact O-SG 3.17Å; V592-R614 HydrophobicContact CG1-CG 4.26Å; V592-I617 HydrophobicContact CB-CG2 4.27Å; V592-I617 HydrophobicContact CG1-CG2 4.06Å; V592-I617 HydrophobicContact CG2-CG2 4.24Å; V592-V621 HydrophobicContact CG2-CG2 4.21Å
593	S	90.8	Very high	91.1	Very high	42 Å²	42	26.4 Å²	26.4	29%	0.294	17%	0.166	S	C	.	.	H	α-helix	trans	-60.8	-44.2	178	-72.8	0	0	0	0	112.6	N589 F590 M591 A597	N589-S593 WeakPolarHBondContact O-CB 3.38Å; N589-S593 PolarHBondContact O-N 3.04Å; N589-S593 PolarHBondContact O-OG 3.32Å; N589-S593 VanDerWaalsContact O-OG 3.1Å; F590-S593 PolarHBondContact O-N 3.31Å; M591-S593 VanDerWaalsContact C-N 3.35Å; M591-S593 PolarHBondContact O-N 3.48Å; S593-A597 WeakPolarHBondContact O-CB 3.5Å; S593-A597 PolarHBondContact O-N 3.33Å
594	V	92.4	Very high	90.4	Very high	1 Å²	1	30 Å²	30	1%	0.006	19%	0.188	C	C	.	.	H	α-helix	trans	-67.2	-46.9	178	174	0	0	0	0	111.1	L573 F590 M591 V592 C596 A597 L598 M740 I776 L779	L573-V594 HydrophobicContact CD1-CB 3.9Å; L573-V594 HydrophobicContact CD1-CG1 3.78Å; L573-V594 HydrophobicContact CD1-CG2 4.05Å; L573-V594 HydrophobicContact CD2-CB 4.38Å; L573-V594 HydrophobicContact CD2-CG1 3.91Å; F590-V594 HydrophobicContact CD2-CG2 4.08Å; F590-V594 HydrophobicContact CE1-CG2 4.49Å; F590-V594 HydrophobicContact CE2-CG2 3.57Å; F590-V594 HydrophobicContact CZ-CG2 3.81Å; F590-V594 WeakPolarHBondContact O-CG2 3.49Å; F590-V594 PolarHBondContact O-N 2.73Å; M591-V594 PolarHBondContact O-N 2.84Å; V592-V594 PolarHBondContact O-N 2.99Å; V594-C596 PolarHBondContact O-N 3.33Å; V594-A597 WeakPolarHBondContact O-CA 3.27Å; V594-A597 WeakPolarHBondContact O-CB 3.45Å; V594-A597 PolarHBondContact O-N 2.98Å; V594-L598 PolarHBondContact O-N 2.74Å; V594-M740 HydrophobicContact CG1-SD 4.2Å; V594-I776 HydrophobicContact CG1-CG2 4.32Å; V594-L779 HydrophobicContact CG2-CB 4.44Å; V594-L779 HydrophobicContact CG2-CD1 4.24Å
595	L	94.4	Very high	89.8	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-64.6	-40	179.3	-67.3	178.8	0	0	0	112.1	L573 F574 M591 V592 A597 L598 C599 I617 V621 L694 M697 L730	L573-L595 HydrophobicContact CD2-CD2 3.77Å; L573-L595 HydrophobicContact CD2-CG 4.17Å; F574-L595 HydrophobicContact CE1-CD1 4.19Å; F574-L595 HydrophobicContact CZ-CD1 4.11Å; F574-L595 HydrophobicContact CZ-CD2 4.27Å; M591-L595 WeakPolarHBondContact O-CB 3.21Å; M591-L595 VanDerWaalsContact O-CG 3.25Å; M591-L595 WeakPolarHBondContact O-CG 3.35Å; M591-L595 PolarHBondContact O-N 3Å; V592-L595 PolarHBondContact O-N 2.77Å; L595-A597 VanDerWaalsContact C-N 3.29Å; L595-A597 PolarHBondContact O-N 3.45Å; L595-L598 HydrophobicContact CD2-CD1 4.15Å; L595-L598 WeakPolarHBondContact O-CB 3.27Å; L595-L598 PolarHBondContact O-N 2.93Å; L595-C599 PolarHBondContact O-N 2.88Å; L595-C599 PolarHBondContact O-SG 3.48Å; L595-C599 VanDerWaalsContact O-SG 3.4Å; L595-I617 HydrophobicContact CB-CD1 4.17Å; L595-I617 HydrophobicContact CB-CG1 4.48Å; L595-I617 HydrophobicContact CB-CG2 3.52Å; L595-I617 HydrophobicContact CD1-CG2 3.92Å; L595-I617 HydrophobicContact CG-CG2 4.37Å; L595-V621 HydrophobicContact CD1-CG2 3.71Å; L595-L694 HydrophobicContact CD2-CD1 3.56Å; L595-M697 HydrophobicContact CD1-CE 3.92Å; L595-L730 HydrophobicContact CD2-CD2 3.75Å
596	C	92.9	Very high	89.3	Confident	18 Å²	18	33.5 Å²	33.5	12%	0.122	21%	0.208	C	C	.	.	H	α-helix	trans	-63.7	-35.6	171.5	-73.2	0	0	0	0	112	V592 V594 L598 C599 V600	V592-C596 VanDerWaalsContact O-CB 3.25Å; V592-C596 WeakPolarHBondContact O-CB 3.42Å; V592-C596 PolarHBondContact O-N 2.95Å; V592-C596 PolarHBondContact O-SG 3.17Å; V594-C596 PolarHBondContact O-N 3.33Å; C596-L598 VanDerWaalsContact C-N 3.32Å; C596-C599 CarbonylContact O-C 3.56Å; C596-C599 PolarHBondContact O-N 3.24Å; C596-C599 VanDerWaalsContact O-N 3.12Å; C596-V600 PolarHBondContact O-N 3.27Å
597	A	91.2	Very high	89.2	Confident	2 Å²	2	33.9 Å²	33.9	2%	0.017	21%	0.211	C	C	.	.	H	α-helix	trans	-65.3	-34	175.4	0	0	0	0	0	112.5	S593 V594 L595 C599 V600 I776 F837	S593-A597 WeakPolarHBondContact O-CB 3.5Å; S593-A597 PolarHBondContact O-N 3.33Å; V594-A597 WeakPolarHBondContact O-CA 3.27Å; V594-A597 WeakPolarHBondContact O-CB 3.45Å; V594-A597 PolarHBondContact O-N 2.98Å; L595-A597 VanDerWaalsContact C-N 3.29Å; L595-A597 PolarHBondContact O-N 3.45Å; A597-C599 PolarHBondContact O-N 3.22Å; A597-V600 WeakPolarHBondContact O-CB 3.49Å; A597-V600 WeakPolarHBondContact O-CG2 3.49Å; A597-V600 PolarHBondContact O-N 3Å; A597-I776 HydrophobicContact CB-CD1 4.22Å; A597-I776 HydrophobicContact CB-CG1 3.84Å; A597-F837 HydrophobicContact CB-CD1 4.11Å; A597-F837 HydrophobicContact CB-CE1 3.58Å; A597-F837 HydrophobicContact CB-CE2 4.35Å; A597-F837 HydrophobicContact CB-CZ 3.74Å
598	L	92.7	Very high	88.8	Confident	21 Å²	21	33.5 Å²	33.5	11%	0.11	21%	0.21	C	C	.	.	H	α-helix	trans	-64.1	-29	171.7	-63.5	176.2	0	0	0	112.4	V594 L595 C596 V600 L694 L730 Y737 I776	V594-L598 PolarHBondContact O-N 2.74Å; L595-L598 HydrophobicContact CD2-CD1 4.15Å; L595-L598 WeakPolarHBondContact O-CB 3.27Å; L595-L598 PolarHBondContact O-N 2.93Å; C596-L598 VanDerWaalsContact C-N 3.32Å; L598-V600 VanDerWaalsContact C-N 3.32Å; L598-L694 HydrophobicContact CD1-CD1 4.4Å; L598-L694 HydrophobicContact CD1-CD2 4.38Å; L598-L730 HydrophobicContact CD1-CD2 4.35Å; L598-Y737 HydrophobicContact CD2-CD2 3.7Å; L598-Y737 HydrophobicContact CD2-CE2 3.47Å; L598-Y737 VanDerWaalsContact CD2-CE2 3.47Å; L598-I776 HydrophobicContact CD2-CD1 4.04Å
599	C	93.2	Very high	88.7	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	7.7	177.7	-59.9	0	0	0	0	114.1	L595 C596 A597 D601 P607 T613 Y725	L595-C599 PolarHBondContact O-N 2.88Å; L595-C599 PolarHBondContact O-SG 3.48Å; L595-C599 VanDerWaalsContact O-SG 3.4Å; C596-C599 CarbonylContact O-C 3.56Å; C596-C599 PolarHBondContact O-N 3.24Å; C596-C599 VanDerWaalsContact O-N 3.12Å; A597-C599 PolarHBondContact O-N 3.22Å; C599-D601 PolarHBondContact O-N 2.74Å; C599-P607 HydrophobicContact CB-CB 4.44Å; C599-P607 VanDerWaalsContact O-CA 3.32Å; C599-P607 WeakPolarHBondContact O-CA 3.31Å; C599-T613 HydrophobicContact CB-CG2 3.97Å; C599-Y725 HydrophobicContact CB-CE1 4.41Å; C599-Y725 PolarHBondContact O-OH 2.56Å; C599-Y725 VanDerWaalsContact O-OH 3.07Å
600	V	90.4	Very high	88.5	Confident	13 Å²	13	31.7 Å²	31.7	8%	0.079	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	127	179.7	168.2	0	0	0	0	110.8	C596 A597 L598 T602 P607 L772	C596-V600 PolarHBondContact O-N 3.27Å; A597-V600 WeakPolarHBondContact O-CB 3.49Å; A597-V600 WeakPolarHBondContact O-CG2 3.49Å; A597-V600 PolarHBondContact O-N 3Å; L598-V600 VanDerWaalsContact C-N 3.32Å; V600-T602 PolarHBondContact O-N 2.94Å; V600-P607 HydrophobicContact CG2-CG 3.98Å; V600-L772 HydrophobicContact CB-CD1 4.04Å; V600-L772 HydrophobicContact CB-CD2 3.9Å; V600-L772 HydrophobicContact CG1-CD1 4.19Å; V600-L772 HydrophobicContact CG1-CD2 4.05Å; V600-L772 HydrophobicContact CG2-CD1 4.22Å
601	D	85.6	Confident	88.5	Confident	50 Å²	50	32.7 Å²	32.7	27%	0.267	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	115.2	165.9	-178.1	-8.4	0	0	0	109.2	C599 G603 T604 G605 Q606	C599-D601 PolarHBondContact O-N 2.74Å; D601-G603 PolarHBondContact O-N 3.33Å; D601-G603 VanDerWaalsContact O-N 3.13Å; D601-G603 PolarHBondContact OD1-N 2.76Å; D601-T604 PolarHBondContact O-N 2.77Å; D601-T604 VanDerWaalsContact O-N 3.11Å; D601-T604 PolarHBondContact O-OG1 2.83Å; D601-G605 WeakPolarHBondContact O-CA 3.47Å; D601-G605 PolarHBondContact O-N 2.84Å; D601-Q606 PolarHBondContact N-O 3.23Å
602	T	81.2	Confident	88.4	Confident	70 Å²	70	35.3 Å²	35.3	43%	0.429	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-20.2	179.3	61.2	0	0	0	0	114.1	V600 A769 L772	V600-T602 PolarHBondContact O-N 2.94Å; T602-A769 HydrophobicContact CG2-CB 4.1Å; T602-L772 HydrophobicContact CG2-CD2 4.16Å
603	G	79.3	Confident	88.4	Confident	69 Å²	69	34.8 Å²	34.8	71%	0.711	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-34.6	174.8	0	0	0	0	0	113.4	D601	D601-G603 PolarHBondContact O-N 3.33Å; D601-G603 VanDerWaalsContact O-N 3.13Å; D601-G603 PolarHBondContact OD1-N 2.76Å
604	T	81.3	Confident	88.6	Confident	95 Å²	95	40.1 Å²	40.1	58%	0.583	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.3	-22.1	-179	67.3	0	0	0	0	113	D601 Q606	D601-T604 PolarHBondContact O-N 2.77Å; D601-T604 VanDerWaalsContact O-N 3.11Å; D601-T604 PolarHBondContact O-OG1 2.83Å; T604-Q606 PolarHBondContact O-N 2.77Å; T604-Q606 PolarHBondContact OG1-N 2.91Å; T604-Q606 PolarHBondContact OG1-O 2.78Å
605	G	79.2	Confident	88.7	Confident	30 Å²	30	45.3 Å²	45.3	31%	0.309	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.5	8.1	-172.1	0	0	0	0	0	114	D601	D601-G605 WeakPolarHBondContact O-CA 3.47Å; D601-G605 PolarHBondContact O-N 2.84Å
606	Q	83.6	Confident	88.8	Confident	106 Å²	106	45.3 Å²	45.3	50%	0.495	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	155.9	179.2	-67.3	-170.8	-14.1	0	0	111.1	D601 T604	D601-Q606 PolarHBondContact N-O 3.23Å; T604-Q606 PolarHBondContact O-N 2.77Å; T604-Q606 PolarHBondContact OG1-N 2.91Å; T604-Q606 PolarHBondContact OG1-O 2.78Å
607	P	85.9	Confident	89	Confident	28 Å²	28	44.5 Å²	44.5	18%	0.182	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	143.2	168.1	-17.1	30.9	0	0	0	110.8	C599 V600 P610 T613	C599-P607 HydrophobicContact CB-CB 4.44Å; C599-P607 VanDerWaalsContact O-CA 3.32Å; C599-P607 WeakPolarHBondContact O-CA 3.31Å; V600-P607 HydrophobicContact CG2-CG 3.98Å; P607-P610 VanDerWaalsContact O-CD 3.32Å; P607-P610 WeakPolarHBondContact O-CD 3.25Å; P607-P610 VanDerWaalsContact O-CG 3.29Å; P607-P610 WeakPolarHBondContact O-CG 3.16Å; P607-T613 HydrophobicContact CB-CG2 4.02Å
608	C	86.3	Confident	89.2	Confident	9 Å²	9	46.1 Å²	46.1	6%	0.061	28%	0.277	C	S	.	.	S	Bend	trans	-59.8	142.3	168.7	-60.2	0	0	0	0	109.8	T613 R715 L722 Y725	C608-T613 WeakPolarHBondContact O-CB 3.07Å; C608-T613 PolarHBondContact O-OG1 3.12Å; C608-R715 HydrophobicContact CB-CG 3.76Å; C608-L722 HydrophobicContact CB-CD1 4.43Å; C608-Y725 HydrophobicContact CB-CD1 4.41Å; C608-Y725 HydrophobicContact CB-CE1 4.08Å
609	N	91.8	Very high	89.3	Confident	16 Å²	16	47.3 Å²	47.3	9%	0.086	29%	0.288	C	S	.	.	S	Bend	trans	43.9	63.5	-176.2	-57	64.8	0	0	0	111.8	G611 D612 T613 Q714 R715 D716 L722	N609-G611 PolarHBondContact O-N 2.71Å; N609-D612 HydrophobicContact CB-CB 4.12Å; N609-D612 PolarHBondContact O-N 3.2Å; N609-T613 WeakPolarHBondContact O-CB 3.49Å; N609-T613 PolarHBondContact O-N 2.86Å; N609-T613 PolarHBondContact O-OG1 2.82Å; N609-Q714 PolarHBondContact ND2-O 3.35Å; N609-R715 VanDerWaalsContact OD1-CA 3.29Å; N609-R715 WeakPolarHBondContact OD1-CA 3.11Å; N609-D716 WeakPolarHBondContact CA-OD2 3.3Å; N609-D716 PolarHBondContact N-OD2 3.29Å; N609-D716 PolarHBondContact ND2-OD1 3.3Å; N609-D716 PolarHBondContact OD1-N 2.87Å; N609-D716 PolarHBondContact OD1-OD1 3.46Å; N609-L722 HydrophobicContact CB-CD1 4.21Å; N609-L722 HydrophobicContact CB-CD2 3.77Å
610	P	87.6	Confident	89.5	Confident	59 Å²	59	47.3 Å²	47.3	38%	0.383	29%	0.288	S	S	.	.	H	α-helix	trans	-51.3	-37.6	-166.6	-26.2	29.5	0	0	0	114.7	P607 R614	P607-P610 VanDerWaalsContact O-CD 3.32Å; P607-P610 WeakPolarHBondContact O-CD 3.25Å; P607-P610 VanDerWaalsContact O-CG 3.29Å; P607-P610 WeakPolarHBondContact O-CG 3.16Å; P610-R614 WeakPolarHBondContact O-CB 3.19Å; P610-R614 PolarHBondContact O-N 2.78Å
611	G	90.1	Very high	89.8	Confident	47 Å²	47	46.7 Å²	46.7	49%	0.485	28%	0.284	S	S	.	.	H	α-helix	trans	-65.9	-54.3	177.5	0	0	0	0	0	112.9	N609 R614 Q615	N609-G611 PolarHBondContact O-N 2.71Å; G611-R614 PolarHBondContact O-N 2.93Å; G611-Q615 WeakPolarHBondContact O-CG 3.44Å; G611-Q615 PolarHBondContact O-N 2.97Å
612	D	93.2	Very high	90.3	Very high	55 Å²	55	47.4 Å²	47.4	29%	0.294	29%	0.287	S	S	.	.	H	α-helix	trans	-66.1	-44.5	-178.8	-59.6	-49.7	0	0	0	111.2	N609 R614 Q615 I616 V713 L722	N609-D612 HydrophobicContact CB-CB 4.12Å; N609-D612 PolarHBondContact O-N 3.2Å; D612-R614 VanDerWaalsContact C-N 3.29Å; D612-R614 PolarHBondContact O-N 3.27Å; D612-Q615 PolarHBondContact O-N 3.17Å; D612-Q615 VanDerWaalsContact O-N 3.08Å; D612-I616 HydrophobicContact CB-CD1 4.45Å; D612-I616 WeakPolarHBondContact O-CB 3.31Å; D612-I616 VanDerWaalsContact O-CG1 3.27Å; D612-I616 WeakPolarHBondContact O-CG1 3.15Å; D612-I616 PolarHBondContact O-N 2.92Å; D612-V713 HydrophobicContact CB-CG1 4.43Å; D612-L722 HydrophobicContact CB-CD2 3.63Å
613	T	94.3	Very high	91	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-57.1	-43.6	177.6	-69.2	0	0	0	0	111.3	C599 P607 C608 N609 Q615 I616 I617 I726	C599-T613 HydrophobicContact CB-CG2 3.97Å; P607-T613 HydrophobicContact CB-CG2 4.02Å; C608-T613 WeakPolarHBondContact O-CB 3.07Å; C608-T613 PolarHBondContact O-OG1 3.12Å; N609-T613 WeakPolarHBondContact O-CB 3.49Å; N609-T613 PolarHBondContact O-N 2.86Å; N609-T613 PolarHBondContact O-OG1 2.82Å; T613-Q615 PolarHBondContact O-N 3.42Å; T613-I616 PolarHBondContact O-N 3.28Å; T613-I617 HydrophobicContact CG2-CG1 4.29Å; T613-I617 WeakPolarHBondContact O-CB 3.44Å; T613-I617 VanDerWaalsContact O-CG1 3.24Å; T613-I617 WeakPolarHBondContact O-CG1 3.26Å; T613-I617 PolarHBondContact O-N 2.89Å; T613-I726 HydrophobicContact CG2-CD1 4.36Å
614	R	93.6	Very high	91.9	Very high	153 Å²	153	41.1 Å²	41.1	58%	0.577	24%	0.235	S	C	*	.	H	α-helix	trans	-64.5	-39.4	176.9	-172.8	172.1	-177.5	152.1	1	112.6	V592 P610 G611 D612 S618	V592-R614 HydrophobicContact CG1-CG 4.26Å; P610-R614 WeakPolarHBondContact O-CB 3.19Å; P610-R614 PolarHBondContact O-N 2.78Å; G611-R614 PolarHBondContact O-N 2.93Å; D612-R614 VanDerWaalsContact C-N 3.29Å; D612-R614 PolarHBondContact O-N 3.27Å; R614-S618 VanDerWaalsContact O-CB 3.25Å; R614-S618 WeakPolarHBondContact O-CB 3.36Å; R614-S618 PolarHBondContact O-N 2.76Å
615	Q	95.1	Very high	92.6	Very high	111 Å²	111	37.1 Å²	37.1	52%	0.519	21%	0.209	S	C	.	.	H	α-helix	trans	-68.3	-42.9	177.6	-69.6	-180	19.8	0	0	112.3	G611 D612 T613 S618 S619 F710	G611-Q615 WeakPolarHBondContact O-CG 3.44Å; G611-Q615 PolarHBondContact O-N 2.97Å; D612-Q615 PolarHBondContact O-N 3.17Å; D612-Q615 VanDerWaalsContact O-N 3.08Å; T613-Q615 PolarHBondContact O-N 3.42Å; Q615-S618 PolarHBondContact O-N 3.38Å; Q615-S619 WeakPolarHBondContact O-CB 3.38Å; Q615-S619 PolarHBondContact O-N 3.5Å; Q615-S619 PolarHBondContact O-OG 2.73Å; Q615-F710 HydrophobicContact CB-CE1 4.36Å; Q615-F710 HydrophobicContact CB-CZ 4.03Å
616	I	96.4	Very high	93.3	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-61.4	-52.3	176.7	-68.4	161.7	0	0	0	109.7	D612 T613 S618 S619 L620 L701 I706 F710 L722 L723 I726	D612-I616 HydrophobicContact CB-CD1 4.45Å; D612-I616 WeakPolarHBondContact O-CB 3.31Å; D612-I616 VanDerWaalsContact O-CG1 3.27Å; D612-I616 WeakPolarHBondContact O-CG1 3.15Å; D612-I616 PolarHBondContact O-N 2.92Å; T613-I616 PolarHBondContact O-N 3.28Å; I616-S618 PolarHBondContact O-N 3.07Å; I616-S619 PolarHBondContact O-N 2.84Å; I616-L620 VanDerWaalsContact O-CB 3.28Å; I616-L620 WeakPolarHBondContact O-CB 3.43Å; I616-L620 PolarHBondContact O-N 2.72Å; I616-L701 HydrophobicContact CG2-CD2 3.92Å; I616-I706 HydrophobicContact CG2-CG2 4.39Å; I616-F710 HydrophobicContact CD1-CB 3.97Å; I616-F710 HydrophobicContact CD1-CD1 3.9Å; I616-F710 HydrophobicContact CD1-CG 3.9Å; I616-F710 HydrophobicContact CG1-CB 3.99Å; I616-F710 HydrophobicContact CG1-CD1 3.62Å; I616-F710 HydrophobicContact CG1-CD2 3.66Å; I616-F710 HydrophobicContact CG1-CE1 3.94Å; I616-F710 HydrophobicContact CG1-CE2 3.97Å; I616-F710 HydrophobicContact CG1-CG 3.47Å; I616-F710 VanDerWaalsContact CG1-CG 3.47Å; I616-F710 HydrophobicContact CG1-CZ 4.1Å; I616-L722 HydrophobicContact CD1-CD2 3.65Å; I616-L722 HydrophobicContact CD1-CG 4.16Å; I616-L723 HydrophobicContact CD1-CD2 3.95Å; I616-L723 HydrophobicContact CG1-CD2 4.32Å; I616-L723 HydrophobicContact CG2-CD2 3.84Å; I616-I726 HydrophobicContact CB-CD1 4.11Å; I616-I726 HydrophobicContact CD1-CD1 3.82Å; I616-I726 HydrophobicContact CG2-CD1 3.78Å
617	I	96.2	Very high	93.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-61.1	-42.9	179.7	-69.4	-58	0	0	0	111.4	V592 L595 T613 S619 L620 V621 I726	V592-I617 HydrophobicContact CB-CG2 4.27Å; V592-I617 HydrophobicContact CG1-CG2 4.06Å; V592-I617 HydrophobicContact CG2-CG2 4.24Å; L595-I617 HydrophobicContact CB-CD1 4.17Å; L595-I617 HydrophobicContact CB-CG1 4.48Å; L595-I617 HydrophobicContact CB-CG2 3.52Å; L595-I617 HydrophobicContact CD1-CG2 3.92Å; L595-I617 HydrophobicContact CG-CG2 4.37Å; T613-I617 HydrophobicContact CG2-CG1 4.29Å; T613-I617 WeakPolarHBondContact O-CB 3.44Å; T613-I617 VanDerWaalsContact O-CG1 3.24Å; T613-I617 WeakPolarHBondContact O-CG1 3.26Å; T613-I617 PolarHBondContact O-N 2.89Å; I617-S619 PolarHBondContact O-N 2.76Å; I617-L620 HydrophobicContact CD1-CD2 4.28Å; I617-L620 WeakPolarHBondContact O-CB 3.33Å; I617-L620 PolarHBondContact O-N 2.71Å; I617-V621 WeakPolarHBondContact O-CG2 3.39Å; I617-V621 PolarHBondContact O-N 3.04Å; I617-I726 HydrophobicContact CD1-CG2 3.86Å
618	S	95.9	Very high	94.2	Very high	36 Å²	36	38.5 Å²	38.5	25%	0.252	20%	0.199	S	C	.	.	H	α-helix	trans	-59.7	-45	176.1	-177.1	0	0	0	0	112.2	K588 R614 Q615 I616 L620 V621 D622	K588-S618 WeakPolarHBondContact CE-OG 3.41Å; K588-S618 PolarHBondContact NZ-OG 2.96Å; R614-S618 VanDerWaalsContact O-CB 3.25Å; R614-S618 WeakPolarHBondContact O-CB 3.36Å; R614-S618 PolarHBondContact O-N 2.76Å; Q615-S618 PolarHBondContact O-N 3.38Å; I616-S618 PolarHBondContact O-N 3.07Å; S618-L620 VanDerWaalsContact C-N 3.33Å; S618-V621 PolarHBondContact O-N 2.7Å; S618-D622 PolarHBondContact O-N 3.06Å
619	S	95.9	Very high	94.4	Very high	47 Å²	47	38.2 Å²	38.2	33%	0.329	20%	0.197	S	C	.	.	H	α-helix	trans	-67	-35.9	177.7	-55.2	0	0	0	0	111.9	Q615 I616 I617 D622 L623	Q615-S619 WeakPolarHBondContact O-CB 3.38Å; Q615-S619 PolarHBondContact O-N 3.5Å; Q615-S619 PolarHBondContact O-OG 2.73Å; I616-S619 PolarHBondContact O-N 2.84Å; I617-S619 PolarHBondContact O-N 2.76Å; S619-D622 PolarHBondContact O-N 2.79Å; S619-L623 VanDerWaalsContact O-CB 3.29Å; S619-L623 WeakPolarHBondContact O-CB 3.33Å; S619-L623 PolarHBondContact O-N 2.74Å
620	L	96.7	Very high	94.3	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-65.2	-42	177.5	-172.8	68	0	0	0	111.7	I616 I617 S618 L623 A624 M697 L700 L701 I706 L730	I616-L620 VanDerWaalsContact O-CB 3.28Å; I616-L620 WeakPolarHBondContact O-CB 3.43Å; I616-L620 PolarHBondContact O-N 2.72Å; I617-L620 HydrophobicContact CD1-CD2 4.28Å; I617-L620 WeakPolarHBondContact O-CB 3.33Å; I617-L620 PolarHBondContact O-N 2.71Å; S618-L620 VanDerWaalsContact C-N 3.33Å; L620-L623 PolarHBondContact O-N 3.3Å; L620-A624 WeakPolarHBondContact O-CB 3.25Å; L620-A624 PolarHBondContact O-N 3.49Å; L620-M697 HydrophobicContact CB-CE 4.42Å; L620-M697 HydrophobicContact CD2-CB 4.16Å; L620-M697 HydrophobicContact CD2-CE 3.83Å; L620-M697 HydrophobicContact CG-CE 3.63Å; L620-L700 HydrophobicContact CD1-CB 3.6Å; L620-L701 HydrophobicContact CD1-CD2 3.99Å; L620-L701 HydrophobicContact CD1-CG 4.1Å; L620-L701 HydrophobicContact CD2-CD2 3.98Å; L620-L701 HydrophobicContact CD2-CG 4.27Å; L620-I706 HydrophobicContact CB-CD1 4.13Å; L620-I706 HydrophobicContact CD1-CD1 3.55Å; L620-I706 HydrophobicContact CG-CD1 4.47Å; L620-L730 HydrophobicContact CD2-CD1 3.77Å
621	V	97	Very high	94.5	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-61.9	-48.2	174.5	173.5	0	0	0	0	110.6	P583 K588 M591 V592 L595 I617 S618 L623 A624 F625 M697	P583-V621 HydrophobicContact CG-CG1 4.44Å; K588-V621 HydrophobicContact CG-CG1 4.23Å; M591-V621 HydrophobicContact CB-CG2 4.28Å; M591-V621 HydrophobicContact SD-CG1 4.02Å; V592-V621 HydrophobicContact CG2-CG2 4.21Å; L595-V621 HydrophobicContact CD1-CG2 3.71Å; I617-V621 WeakPolarHBondContact O-CG2 3.39Å; I617-V621 PolarHBondContact O-N 3.04Å; S618-V621 PolarHBondContact O-N 2.7Å; V621-L623 VanDerWaalsContact C-N 3.25Å; V621-L623 PolarHBondContact O-N 2.88Å; V621-A624 PolarHBondContact O-N 3.36Å; V621-F625 HydrophobicContact CG1-CD2 4.08Å; V621-F625 HydrophobicContact CG1-CE2 4.07Å; V621-F625 WeakPolarHBondContact O-CD2 3.15Å; V621-F625 PolarHBondContact O-N 2.76Å; V621-M697 HydrophobicContact CG2-CE 4.3Å
622	D	96.3	Very high	94.6	Very high	64 Å²	64	47.8 Å²	47.8	34%	0.342	23%	0.23	S	C	.	.	H	α-helix	trans	-59.1	-39.9	177.1	-70.9	-30.3	0	0	0	112.1	K588 S618 S619 R626	K588-D622 WeakPolarHBondContact CE-OD1 3.46Å; K588-D622 IonicContact NZ-OD1 3.72Å; K588-D622 PolarHBondContact NZ-OD1 2.77Å; K588-D622 IonicContact NZ-OD2 3.68Å; K588-D622 PolarHBondContact NZ-OD2 3.09Å; S618-D622 PolarHBondContact O-N 3.06Å; S619-D622 PolarHBondContact O-N 2.79Å; D622-R626 WeakPolarHBondContact O-CB 3.46Å; D622-R626 PolarHBondContact O-N 2.85Å
623	L	96.1	Very high	94.7	Very high	8 Å²	8	47 Å²	47	4%	0.042	23%	0.228	C	C	.	.	H	α-helix	trans	-66.4	-42.8	179	-170.3	60.2	0	0	0	112	S619 L620 V621 F625 R626 E627 L700 Q703 I706	S619-L623 VanDerWaalsContact O-CB 3.29Å; S619-L623 WeakPolarHBondContact O-CB 3.33Å; S619-L623 PolarHBondContact O-N 2.74Å; L620-L623 PolarHBondContact O-N 3.3Å; V621-L623 VanDerWaalsContact C-N 3.25Å; V621-L623 PolarHBondContact O-N 2.88Å; L623-F625 PolarHBondContact O-N 2.71Å; L623-R626 PolarHBondContact O-N 2.81Å; L623-E627 VanDerWaalsContact O-CB 3.31Å; L623-E627 WeakPolarHBondContact O-CB 3.42Å; L623-E627 PolarHBondContact O-N 3.41Å; L623-L700 HydrophobicContact CD2-CB 4.35Å; L623-Q703 VanDerWaalsContact CD1-OE1 3.26Å; L623-Q703 HydrophobicContact CD2-CB 3.93Å; L623-Q703 HydrophobicContact CD2-CG 4.17Å; L623-I706 HydrophobicContact CD2-CD1 3.72Å; L623-I706 HydrophobicContact CD2-CG1 4.11Å
624	A	96.5	Very high	94.7	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-59.7	-44.9	178.2	0	0	0	0	0	112	L620 V621 E627 Y628 P692 M697 L700	L620-A624 WeakPolarHBondContact O-CB 3.25Å; L620-A624 PolarHBondContact O-N 3.49Å; V621-A624 PolarHBondContact O-N 3.36Å; A624-E627 PolarHBondContact O-N 3.37Å; A624-Y628 VanDerWaalsContact O-CD2 3.3Å; A624-Y628 WeakPolarHBondContact O-CD2 3.22Å; A624-Y628 PolarHBondContact O-N 2.73Å; A624-P692 HydrophobicContact CB-CB 4.21Å; A624-P692 HydrophobicContact CB-CG 4.31Å; A624-M697 HydrophobicContact CB-CE 4.14Å; A624-M697 HydrophobicContact CB-SD 3.7Å; A624-L700 HydrophobicContact CB-CD1 3.57Å
625	F	96.6	Very high	94.8	Very high	10 Å²	10	46 Å²	46	4%	0.044	23%	0.229	C	C	.	.	H	α-helix	trans	-72	-30.2	177.2	-77.9	-77.7	0	0	0	113.5	F574 V576 R581 K582 P583 M591 V621 L623 G629 M691 P692	F574-F625 HydrophobicContact CB-CZ 4.05Å; F574-F625 HydrophobicContact CD1-CE2 4.16Å; F574-F625 HydrophobicContact CD1-CZ 4.47Å; F574-F625 WeakPolarHBondContact O-CZ 3.47Å; V576-F625 HydrophobicContact CG1-CE1 3.57Å; V576-F625 HydrophobicContact CG1-CE2 4.47Å; V576-F625 HydrophobicContact CG1-CZ 3.47Å; V576-F625 VanDerWaalsContact CG1-CZ 3.47Å; R581-F625 VanDerWaalsContact O-CD1 3.3Å; R581-F625 WeakPolarHBondContact O-CD1 3.29Å; K582-F625 HydrophobicContact CB-CB 4.22Å; P583-F625 HydrophobicContact CB-CE2 4.47Å; P583-F625 VanDerWaalsContact CD-CE2 3.45Å; P583-F625 VanDerWaalsContact CD-CG 3.49Å; P583-F625 HydrophobicContact CG-CD2 3.84Å; P583-F625 HydrophobicContact CG-CE2 3.72Å; P583-F625 HydrophobicContact CG-CG 4.49Å; P583-F625 HydrophobicContact CG-CZ 4.26Å; M591-F625 HydrophobicContact CE-CE2 4.14Å; M591-F625 HydrophobicContact CE-CZ 3.92Å; M591-F625 HydrophobicContact SD-CE2 3.69Å; M591-F625 HydrophobicContact SD-CZ 4.08Å; V621-F625 HydrophobicContact CG1-CD2 4.08Å; V621-F625 HydrophobicContact CG1-CE2 4.07Å; V621-F625 WeakPolarHBondContact O-CD2 3.15Å; V621-F625 PolarHBondContact O-N 2.76Å; L623-F625 PolarHBondContact O-N 2.71Å; F625-G629 WeakPolarHBondContact O-CA 3.31Å; F625-G629 PolarHBondContact O-N 3.21Å; F625-M691 HydrophobicContact CE1-SD 4.18Å; F625-P692 HydrophobicContact CD1-CG 3.96Å; F625-P692 HydrophobicContact CD2-CG 4.49Å; F625-P692 HydrophobicContact CE1-CG 3.92Å; F625-P692 HydrophobicContact CE2-CG 4.43Å; F625-P692 HydrophobicContact CG-CG 4.27Å; F625-P692 HydrophobicContact CZ-CG 4.16Å
626	R	95.1	Very high	94.9	Very high	123 Å²	123	41.6 Å²	41.6	46%	0.464	21%	0.208	S	C	.	.	H	α-helix	trans	-67.5	-44.9	171	-171.5	-177.6	-60.9	135.3	5.8	111.1	D622 L623 E630 N631	D622-R626 WeakPolarHBondContact O-CB 3.46Å; D622-R626 PolarHBondContact O-N 2.85Å; L623-R626 PolarHBondContact O-N 2.81Å; R626-E630 WeakPolarHBondContact O-CB 3.44Å; R626-E630 PolarHBondContact O-N 2.84Å; R626-N631 PolarHBondContact O-N 3.05Å
627	E	94.7	Very high	94.8	Very high	28 Å²	28	47.1 Å²	47.1	13%	0.131	23%	0.229	C	C	.	.	I	π-helix	trans	-65.4	-56.1	-177.6	-170.3	65.3	-172.2	0	0	111.2	L623 A624 N631 N632 L700	L623-E627 VanDerWaalsContact O-CB 3.31Å; L623-E627 WeakPolarHBondContact O-CB 3.42Å; L623-E627 PolarHBondContact O-N 3.41Å; A624-E627 PolarHBondContact O-N 3.37Å; E627-N631 PolarHBondContact O-N 3.21Å; E627-N631 PolarHBondContact OE2-ND2 2.9Å; E627-N632 CarbonylContact O-C 3.5Å; E627-N632 WeakPolarHBondContact O-CA 3.45Å; E627-N632 PolarHBondContact O-N 2.9Å; E627-N632 PolarHBondContact OE1-ND2 2.9Å; E627-L700 HydrophobicContact CB-CD2 4.34Å; E627-L700 HydrophobicContact CG-CD2 4.14Å
628	Y	94	Very high	94.5	Very high	42 Å²	42	51 Å²	51	17%	0.165	26%	0.261	C	S	.	.	I	π-helix	trans	-85.8	-11.4	-176.3	-61.8	-66	0	0	0	113.9	A624 P633 P692 E696 L700	A624-Y628 VanDerWaalsContact O-CD2 3.3Å; A624-Y628 WeakPolarHBondContact O-CD2 3.22Å; A624-Y628 PolarHBondContact O-N 2.73Å; Y628-P633 WeakPolarHBondContact O-CA 3.32Å; Y628-P692 HydrophobicContact CD2-CB 3.94Å; Y628-P692 HydrophobicContact CD2-CG 4.2Å; Y628-E696 HydrophobicContact CE2-CB 3.99Å; Y628-E696 WeakPolarHBondContact CE2-OE2 3.45Å; Y628-E696 WeakPolarHBondContact OH-CB 3.44Å; Y628-L700 HydrophobicContact CE2-CD1 4.16Å
629	G	89.8	Confident	94.3	Very high	3 Å²	3	52.1 Å²	52.1	3%	0.031	28%	0.278	C	S	.	.	I	π-helix	trans	-94.5	-27.5	176.4	0	0	0	0	0	114.7	F625	F625-G629 WeakPolarHBondContact O-CA 3.31Å; F625-G629 PolarHBondContact O-N 3.21Å
630	E	89.5	Confident	94.2	Very high	134 Å²	134	52.9 Å²	52.9	63%	0.626	28%	0.281	S	S	*	.	I	π-helix	trans	-129.4	-53.3	-172.2	-57.9	176.1	-176.7	0	0	112.8	R626	R626-E630 WeakPolarHBondContact O-CB 3.44Å; R626-E630 PolarHBondContact O-N 2.84Å
631	N	91.7	Very high	94	Very high	93 Å²	93	53.5 Å²	53.5	50%	0.497	28%	0.283	S	S	.	.	I	π-helix	trans	-79.3	-45.7	-170.1	-62.4	-25.7	0	0	0	113.4	R626 E627	R626-N631 PolarHBondContact O-N 3.05Å; E627-N631 PolarHBondContact O-N 3.21Å; E627-N631 PolarHBondContact OE2-ND2 2.9Å
632	N	93	Very high	93.9	Very high	96 Å²	96	57.9 Å²	57.9	51%	0.513	31%	0.312	S	S	.	.	S	Bend	trans	-136.4	62	-173.1	-74.9	-49.7	0	0	0	110.2	E627	E627-N632 CarbonylContact O-C 3.5Å; E627-N632 WeakPolarHBondContact O-CA 3.45Å; E627-N632 PolarHBondContact O-N 2.9Å; E627-N632 PolarHBondContact OE1-ND2 2.9Å
633	P	94.3	Very high	93.7	Very high	38 Å²	38	58.7 Å²	58.7	25%	0.247	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-63.1	141.3	176.8	28.9	-35.3	0	0	0	111.2	Y628 L635 T666 F668	Y628-P633 WeakPolarHBondContact O-CA 3.32Å; P633-L635 PolarHBondContact O-N 3.4Å; P633-T666 HydrophobicContact CB-CG2 3.83Å; P633-T666 HydrophobicContact CG-CG2 3.64Å; P633-F668 HydrophobicContact CB-CD2 4.28Å
634	R	94.6	Very high	93.7	Very high	59 Å²	59	58.3 Å²	58.3	22%	0.223	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-64.7	129.4	-180	-66.8	171.9	-178.7	-90.5	-3.6	110.7	T666 W667 Q689 M691 L693 E696	R634-T666 WeakPolarHBondContact O-CA 3.47Å; R634-W667 PolarHBondContact O-N 3.24Å; R634-Q689 WeakPolarHBondContact CD-O 3.48Å; R634-M691 PolarHBondContact NE-O 2.69Å; R634-M691 PolarHBondContact NH2-O 2.84Å; R634-L693 VanDerWaalsContact NH2-CG 3.31Å; R634-E696 IonicContact CZ-OE1 3.46Å; R634-E696 IonicContact CZ-OE2 2.9Å; R634-E696 IonicContact NH1-OE1 3.19Å; R634-E696 IonicContact NH2-OE1 3.46Å; R634-E696 PolarHBondContact NH2-OE1 2.77Å; R634-E696 IonicContact NH2-OE2 3.86Å; R634-E696 PolarHBondContact NH2-OE2 2.91Å
635	L	96	Very high	93.7	Very high	73 Å²	73	59.5 Å²	59.5	38%	0.382	32%	0.32	S	S	.	.	B	Isolated β-bridge	trans	-77.6	139.3	176.5	-59.2	-178.3	0	0	0	110.9	P633 A664 A665 T666 W667	P633-L635 PolarHBondContact O-N 3.4Å; L635-A664 WeakPolarHBondContact CD2-O 3.36Å; L635-A665 CarbonylContact C-O 3.59Å; L635-A665 WeakPolarHBondContact CA-O 3.38Å; L635-T666 HydrophobicContact CD2-CG2 4.17Å; L635-W667 PolarHBondContact O-NE1 2.5Å; L635-W667 VanDerWaalsContact O-NE1 3.13Å
636	Y	95.8	Very high	93.7	Very high	19 Å²	19	63.1 Å²	63.1	8%	0.075	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-66.6	139.7	169.8	167.6	-102.3	0	0	0	110.5	V644 D645 L648 W662 A665 W667 I670	Y636-V644 HydrophobicContact CE2-CG1 4.07Å; Y636-D645 PolarHBondContact OH-OD1 2.77Å; Y636-L648 HydrophobicContact CE1-CD1 4.35Å; Y636-L648 HydrophobicContact CE2-CD1 4.12Å; Y636-L648 WeakPolarHBondContact OH-CD1 3.43Å; Y636-W662 AromaticContact CD1-CE3 3.9Å; Y636-W662 HydrophobicContact CD1-CE3 3.9Å; Y636-W662 HydrophobicContact CD1-CZ3 4.12Å; Y636-W662 AromaticContact CE1-CE3 3.72Å; Y636-W662 HydrophobicContact CE1-CE3 3.72Å; Y636-W662 AromaticContact CE1-CZ3 3.8Å; Y636-W662 HydrophobicContact CE1-CZ3 3.8Å; Y636-A665 PolarHBondContact N-O 3.31Å; Y636-W667 HydrophobicContact CD2-CD2 4.31Å; Y636-W667 HydrophobicContact CD2-CE3 4.08Å; Y636-W667 AromaticContact CD2-CH2 3.57Å; Y636-W667 HydrophobicContact CD2-CH2 3.57Å; Y636-W667 AromaticContact CD2-CZ2 3.8Å; Y636-W667 HydrophobicContact CD2-CZ2 3.8Å; Y636-W667 AromaticContact CD2-CZ3 3.73Å; Y636-W667 HydrophobicContact CD2-CZ3 3.73Å; Y636-W667 AromaticContact CE2-CH2 3.95Å; Y636-W667 HydrophobicContact CE2-CH2 3.95Å; Y636-W667 HydrophobicContact CE2-CZ2 4.49Å; Y636-W667 HydrophobicContact CE2-CZ3 4.2Å; Y636-I670 HydrophobicContact CD1-CD1 4.27Å; Y636-I670 HydrophobicContact CD1-CG1 4.3Å; Y636-I670 HydrophobicContact CD2-CG1 3.91Å; Y636-I670 HydrophobicContact CG-CD1 4.17Å; Y636-I670 HydrophobicContact CG-CG1 3.7Å
637	R	94.3	Very high	93.7	Very high	117 Å²	117	57.4 Å²	57.4	44%	0.442	32%	0.319	S	S	.	.			trans	-139.7	121	175.8	-64.1	-65.1	178.4	-127.4	7.5	108.4	T640 N663	R637-T640 VanDerWaalsContact O-CB 3.3Å; R637-T640 WeakPolarHBondContact O-CB 3.24Å; R637-T640 PolarHBondContact O-N 2.88Å; R637-T640 PolarHBondContact O-OG1 3.41Å; R637-N663 PolarHBondContact NH1-O 3Å
638	A	90.6	Very high	93.7	Very high	81 Å²	81	56.2 Å²	56.2	67%	0.669	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	143.2	176.5	0	0	0	0	0	110.6	T640	A638-T640 VanDerWaalsContact C-N 3.34Å
639	G	92.1	Very high	93.7	Very high	59 Å²	59	60.7 Å²	60.7	61%	0.608	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.6	-7.6	-175.3	0	0	0	0	0	114.9	D645	G639-D645 VanDerWaalsContact CA-OD2 3.29Å; G639-D645 WeakPolarHBondContact CA-OD2 3.39Å; G639-D645 PolarHBondContact N-OD2 3.46Å
640	T	93.1	Very high	93.9	Very high	64 Å²	64	67.3 Å²	67.3	39%	0.393	37%	0.366	S	S	.	.	S	Bend	trans	-75.2	-43.2	178.3	-53.7	0	0	0	0	111.8	R637 A638 W667	R637-T640 VanDerWaalsContact O-CB 3.3Å; R637-T640 WeakPolarHBondContact O-CB 3.24Å; R637-T640 PolarHBondContact O-N 2.88Å; R637-T640 PolarHBondContact O-OG1 3.41Å; A638-T640 VanDerWaalsContact C-N 3.34Å; T640-W667 HydrophobicContact CG2-CH2 4.31Å; T640-W667 HydrophobicContact CG2-CZ2 3.78Å
641	E	93.5	Very high	94.1	Very high	12 Å²	12	63.1 Å²	63.1	6%	0.056	35%	0.351	C	S	.	.			trans	-132.4	94.5	177.5	-81.4	-70.7	160.1	0	0	109.3	L643 V644 D645 W667 R685 Q689	E641-L643 PolarHBondContact O-N 3.01Å; E641-L643 VanDerWaalsContact O-N 3.08Å; E641-V644 HydrophobicContact CB-CB 3.91Å; E641-V644 HydrophobicContact CB-CG2 3.78Å; E641-V644 WeakPolarHBondContact O-CA 3.47Å; E641-V644 WeakPolarHBondContact O-CB 3.39Å; E641-V644 PolarHBondContact O-N 2.91Å; E641-D645 PolarHBondContact O-N 3.33Å; E641-D645 VanDerWaalsContact O-N 3.09Å; E641-W667 HydrophobicContact CB-CH2 4.03Å; E641-W667 HydrophobicContact CB-CZ3 4.4Å; E641-W667 HydrophobicContact CG-CH2 4.19Å; E641-R685 IonicContact OE1-CZ 2.88Å; E641-R685 IonicContact OE1-NE 2.93Å; E641-R685 IonicContact OE1-NH2 3.13Å; E641-R685 PolarHBondContact OE1-NH2 3.08Å; E641-R685 IonicContact OE2-CZ 2.74Å; E641-R685 IonicContact OE2-NE 2.98Å; E641-R685 PolarHBondContact OE2-NE 3.25Å; E641-R685 IonicContact OE2-NH2 2.77Å; E641-R685 PolarHBondContact OE2-NH2 3.32Å; E641-Q689 HydrophobicContact CG-CG 3.64Å; E641-Q689 PolarHBondContact OE1-NE2 2.9Å
642	P	94.1	Very high	94	Very high	92 Å²	92	59.9 Å²	59.9	60%	0.597	34%	0.34	S	S	*	.	H	α-helix	trans	-56.1	-31.6	-175	-28.6	35.4	0	0	0	114.5	V644 D645 L646	P642-V644 VanDerWaalsContact C-N 3.34Å; P642-D645 PolarHBondContact O-N 2.95Å; P642-L646 WeakPolarHBondContact O-CB 3.4Å; P642-L646 PolarHBondContact O-N 3.14Å
643	L	93	Very high	94	Very high	82 Å²	82	55.6 Å²	55.6	43%	0.429	32%	0.317	S	S	.	.	H	α-helix	trans	-67.1	-36.4	176.6	-172.1	154.4	0	0	0	111.7	E641 A647 A682 R685	E641-L643 PolarHBondContact O-N 3.01Å; E641-L643 VanDerWaalsContact O-N 3.08Å; L643-A647 VanDerWaalsContact O-CB 3.26Å; L643-A647 WeakPolarHBondContact O-CB 3.41Å; L643-A647 PolarHBondContact O-N 3.06Å; L643-A682 HydrophobicContact CD2-CB 3.41Å; L643-A682 VanDerWaalsContact CD2-CB 3.41Å; L643-R685 HydrophobicContact CD2-CG 4.24Å
644	V	96.1	Very high	93.7	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-69.1	-46.1	175.6	169.8	0	0	0	0	109.9	Y636 E641 P642 L646 A647 L648 W667 I670 L674 A682 R685 A686	Y636-V644 HydrophobicContact CE2-CG1 4.07Å; E641-V644 HydrophobicContact CB-CB 3.91Å; E641-V644 HydrophobicContact CB-CG2 3.78Å; E641-V644 WeakPolarHBondContact O-CA 3.47Å; E641-V644 WeakPolarHBondContact O-CB 3.39Å; E641-V644 PolarHBondContact O-N 2.91Å; P642-V644 VanDerWaalsContact C-N 3.34Å; V644-L646 VanDerWaalsContact C-N 3.35Å; V644-L646 PolarHBondContact O-N 3.41Å; V644-A647 PolarHBondContact O-N 3.09Å; V644-L648 HydrophobicContact CG1-CD1 3.94Å; V644-L648 HydrophobicContact CG1-CG 4.33Å; V644-L648 VanDerWaalsContact O-CG 3.29Å; V644-L648 WeakPolarHBondContact O-CG 3.39Å; V644-L648 PolarHBondContact O-N 3.07Å; V644-W667 HydrophobicContact CB-CZ3 4.37Å; V644-W667 HydrophobicContact CG1-CZ3 3.98Å; V644-W667 HydrophobicContact CG2-CZ3 4.25Å; V644-I670 HydrophobicContact CG1-CG2 3.6Å; V644-L674 HydrophobicContact CG1-CD1 3.93Å; V644-A682 WeakPolarHBondContact CG2-O 3.32Å; V644-R685 HydrophobicContact CG2-CB 3.85Å; V644-A686 HydrophobicContact CG2-CB 4.12Å
645	D	95.8	Very high	93.4	Very high	24 Å²	24	61.2 Å²	61.2	13%	0.128	35%	0.349	C	S	.	.	H	α-helix	trans	-57.8	-49.5	179.5	-56.2	-17.6	0	0	0	110.5	Y636 G639 E641 P642 A647 L648 E649	Y636-D645 PolarHBondContact OH-OD1 2.77Å; G639-D645 VanDerWaalsContact CA-OD2 3.29Å; G639-D645 WeakPolarHBondContact CA-OD2 3.39Å; G639-D645 PolarHBondContact N-OD2 3.46Å; E641-D645 PolarHBondContact O-N 3.33Å; E641-D645 VanDerWaalsContact O-N 3.09Å; P642-D645 PolarHBondContact O-N 2.95Å; D645-A647 PolarHBondContact O-N 3.29Å; D645-L648 PolarHBondContact O-N 2.7Å; D645-E649 PolarHBondContact O-N 3.32Å; D645-E649 VanDerWaalsContact O-N 3.12Å
646	L	95.8	Very high	93.2	Very high	87 Å²	87	63.7 Å²	63.7	46%	0.455	36%	0.358	S	S	.	.	H	α-helix	trans	-59.5	-44.4	175.9	-178.9	65.3	0	0	0	112.1	P642 V644 L648 E649 E650	P642-L646 WeakPolarHBondContact O-CB 3.4Å; P642-L646 PolarHBondContact O-N 3.14Å; V644-L646 VanDerWaalsContact C-N 3.35Å; V644-L646 PolarHBondContact O-N 3.41Å; L646-L648 VanDerWaalsContact C-N 3.29Å; L646-L648 PolarHBondContact O-N 2.92Å; L646-E649 PolarHBondContact O-N 2.94Å; L646-E650 HydrophobicContact CD1-CG 4.11Å; L646-E650 HydrophobicContact CG-CG 4.31Å; L646-E650 WeakPolarHBondContact O-CG 3.28Å; L646-E650 PolarHBondContact O-N 3.36Å
647	A	95.5	Very high	92.9	Very high	3 Å²	3	65.8 Å²	65.8	3%	0.025	37%	0.369	C	S	.	.	H	α-helix	trans	-64.3	-34.2	179.3	0	0	0	0	0	112.7	L643 V644 D645 S651 L674 N679 A682	L643-A647 VanDerWaalsContact O-CB 3.26Å; L643-A647 WeakPolarHBondContact O-CB 3.41Å; L643-A647 PolarHBondContact O-N 3.06Å; V644-A647 PolarHBondContact O-N 3.09Å; D645-A647 PolarHBondContact O-N 3.29Å; A647-S651 WeakPolarHBondContact O-CB 3.24Å; A647-S651 PolarHBondContact O-N 3.44Å; A647-S651 PolarHBondContact O-OG 3.36Å; A647-L674 HydrophobicContact CB-CD2 3.76Å; A647-N679 VanDerWaalsContact CB-ND2 3.3Å; A647-N679 WeakPolarHBondContact CB-ND2 3.37Å; A647-A682 HydrophobicContact CB-CB 3.39Å
648	L	95.8	Very high	92.7	Very high	3 Å²	3	65.6 Å²	65.6	2%	0.016	38%	0.376	C	S	.	.	H	α-helix	trans	-69.1	-36.9	175.7	-70.5	171.5	0	0	0	111.8	Y636 V644 D645 L646 S651 I653 A654 W662 I670 L674	Y636-L648 HydrophobicContact CE1-CD1 4.35Å; Y636-L648 HydrophobicContact CE2-CD1 4.12Å; Y636-L648 WeakPolarHBondContact OH-CD1 3.43Å; V644-L648 HydrophobicContact CG1-CD1 3.94Å; V644-L648 HydrophobicContact CG1-CG 4.33Å; V644-L648 VanDerWaalsContact O-CG 3.29Å; V644-L648 WeakPolarHBondContact O-CG 3.39Å; V644-L648 PolarHBondContact O-N 3.07Å; D645-L648 PolarHBondContact O-N 2.7Å; L646-L648 VanDerWaalsContact C-N 3.29Å; L646-L648 PolarHBondContact O-N 2.92Å; L648-S651 PolarHBondContact O-OG 3.28Å; L648-I653 HydrophobicContact CD2-CB 4.02Å; L648-I653 HydrophobicContact CD2-CD1 4.35Å; L648-I653 HydrophobicContact CD2-CG2 3.78Å; L648-I653 PolarHBondContact O-N 3.36Å; L648-A654 PolarHBondContact O-N 2.93Å; L648-W662 HydrophobicContact CD1-CH2 4.03Å; L648-W662 HydrophobicContact CD1-CZ3 3.89Å; L648-W662 HydrophobicContact CD2-CH2 4.14Å; L648-I670 HydrophobicContact CD1-CG2 4.06Å; L648-I670 HydrophobicContact CD2-CG2 4.28Å; L648-L674 HydrophobicContact CD2-CD1 4.36Å; L648-L674 HydrophobicContact CD2-CD2 3.86Å; L648-L674 HydrophobicContact CD2-CG 4Å; L648-L674 HydrophobicContact CG-CD2 4.28Å
649	E	93	Very high	92.5	Very high	135 Å²	135	65.3 Å²	65.3	63%	0.631	37%	0.374	S	S	*	.	H	α-helix	trans	-67.8	-52.9	173.8	-69	177	-177.2	0	0	111.4	D645 L646 S651 G652 A654	D645-E649 PolarHBondContact O-N 3.32Å; D645-E649 VanDerWaalsContact O-N 3.12Å; L646-E649 PolarHBondContact O-N 2.94Å; E649-S651 VanDerWaalsContact C-N 3.32Å; E649-S651 PolarHBondContact O-N 3.31Å; E649-G652 PolarHBondContact O-N 2.89Å; E649-A654 HydrophobicContact CG-CB 4.4Å
650	E	94.2	Very high	92.4	Very high	143 Å²	143	64.7 Å²	64.7	67%	0.668	37%	0.368	S	S	*	.	H	α-helix	trans	-65.9	-31.8	-176.1	-71.7	-177.1	162.1	0	0	113.6	L646 G652	L646-E650 HydrophobicContact CD1-CG 4.11Å; L646-E650 HydrophobicContact CG-CG 4.31Å; L646-E650 WeakPolarHBondContact O-CG 3.28Å; L646-E650 PolarHBondContact O-N 3.36Å; E650-G652 PolarHBondContact O-N 3.05Å
651	S	93	Very high	92.4	Very high	45 Å²	45	64.9 Å²	64.9	32%	0.315	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-7.4	175.2	59.3	0	0	0	0	113.5	A647 L648 E649 I653	A647-S651 WeakPolarHBondContact O-CB 3.24Å; A647-S651 PolarHBondContact O-N 3.44Å; A647-S651 PolarHBondContact O-OG 3.36Å; L648-S651 PolarHBondContact O-OG 3.28Å; E649-S651 VanDerWaalsContact C-N 3.32Å; E649-S651 PolarHBondContact O-N 3.31Å; S651-I653 PolarHBondContact O-N 3.47Å; S651-I653 WeakPolarHBondContact OG-CD1 3.41Å; S651-I653 WeakPolarHBondContact OG-CG1 3.38Å
652	G	91.3	Very high	92.3	Very high	25 Å²	25	66.4 Å²	66.4	26%	0.258	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	70	9.9	-173.7	0	0	0	0	0	114	E649 E650 A654 Q656	E649-G652 PolarHBondContact O-N 2.89Å; E650-G652 PolarHBondContact O-N 3.05Å; G652-A654 VanDerWaalsContact C-N 3.33Å; G652-Q656 WeakPolarHBondContact O-CG 3.5Å
653	I	91.9	Very high	92.1	Very high	7 Å²	7	67.1 Å²	67.1	4%	0.036	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-69.3	-35.3	178.4	-64.2	170	0	0	0	110.5	L648 S651 E655 Q656 W662 M673 L674 A677	L648-I653 HydrophobicContact CD2-CB 4.02Å; L648-I653 HydrophobicContact CD2-CD1 4.35Å; L648-I653 HydrophobicContact CD2-CG2 3.78Å; L648-I653 PolarHBondContact O-N 3.36Å; S651-I653 PolarHBondContact O-N 3.47Å; S651-I653 WeakPolarHBondContact OG-CD1 3.41Å; S651-I653 WeakPolarHBondContact OG-CG1 3.38Å; I653-E655 PolarHBondContact O-N 2.91Å; I653-Q656 WeakPolarHBondContact O-CB 3.46Å; I653-Q656 PolarHBondContact O-N 3.31Å; I653-W662 HydrophobicContact CG2-CH2 4.22Å; I653-W662 HydrophobicContact CG2-CZ2 4.46Å; I653-W662 WeakPolarHBondContact O-CZ2 3.41Å; I653-M673 HydrophobicContact CD1-CB 4.12Å; I653-M673 HydrophobicContact CG2-CB 4.42Å; I653-M673 HydrophobicContact CG2-CE 3.85Å; I653-M673 HydrophobicContact CG2-SD 3.78Å; I653-L674 HydrophobicContact CD1-CD2 4.27Å; I653-A677 HydrophobicContact CD1-CB 3.83Å
654	A	87.4	Confident	92.1	Very high	37 Å²	37	66.2 Å²	66.2	31%	0.306	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-50.8	-32.7	177.9	0	0	0	0	0	113.3	L648 E649 G652 W662	L648-A654 PolarHBondContact O-N 2.93Å; E649-A654 HydrophobicContact CG-CB 4.4Å; G652-A654 VanDerWaalsContact C-N 3.33Å; A654-W662 PolarHBondContact O-NE1 3.04Å
655	E	89.4	Confident	92.1	Very high	178 Å²	178	66.2 Å²	66.2	83%	0.832	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-91.2	-10.2	-176.7	-58	-177.6	170.6	0	0	113.9	I653 H657	I653-E655 PolarHBondContact O-N 2.91Å; E655-H657 VanDerWaalsContact C-N 3.32Å; E655-H657 PolarHBondContact O-N 3.13Å
656	Q	90.8	Very high	92.1	Very high	124 Å²	124	66 Å²	66	58%	0.579	37%	0.369	S	S	*	.	S	Bend	trans	-77.2	-18.1	-173.9	-68.3	175.2	18.5	0	0	113.7	G652 I653	G652-Q656 WeakPolarHBondContact O-CG 3.5Å; I653-Q656 WeakPolarHBondContact O-CB 3.46Å; I653-Q656 PolarHBondContact O-N 3.31Å
657	H	90	Very high	92.2	Very high	64 Å²	64	62.2 Å²	62.2	30%	0.296	35%	0.349	S	S	.	.	S	Bend	trans	-130.5	148.7	-172.3	-65.6	-75.2	0	0	0	111.4	E655 W661 W662	E655-H657 VanDerWaalsContact C-N 3.32Å; E655-H657 PolarHBondContact O-N 3.13Å; H657-W661 HydrophobicContact CB-CB 3.99Å; H657-W661 HydrophobicContact CB-CD2 3.64Å; H657-W661 HydrophobicContact CB-CE3 3.4Å; H657-W661 VanDerWaalsContact CB-CE3 3.4Å; H657-W661 HydrophobicContact CB-CG 3.89Å; H657-W661 HydrophobicContact CB-CZ3 4.21Å; H657-W661 AromaticContact CD2-CE3 3.86Å; H657-W661 AromaticContact CD2-CZ3 3.88Å; H657-W661 AromaticContact CE1-CE2 3.93Å; H657-W661 AromaticContact CG-CD2 3.5Å; H657-W661 AromaticContact CG-CE2 3.98Å; H657-W661 AromaticContact CG-CE3 3.51Å; H657-W661 AromaticContact CG-CG 3.95Å; H657-W661 AromaticContact ND1-CD1 3.91Å; H657-W661 AromaticContact ND1-CD2 3.6Å; H657-W661 AromaticContact ND1-CE2 3.76Å; H657-W661 AromaticContact ND1-CG 3.75Å; H657-W661 AromaticContact ND1-NE1 3.9Å; H657-W662 PolarHBondContact O-NE1 2.95Å
658	D	89.9	Confident	92.2	Very high	112 Å²	112	62.2 Å²	62.2	60%	0.599	35%	0.349	S	S	*	.			trans	-76.3	168.6	177.1	68.8	35.7	0	0	0	112.7	G660 W661 W662	D658-G660 PolarHBondContact O-N 2.83Å; D658-G660 WeakPolarHBondContact OD1-CA 3.35Å; D658-G660 PolarHBondContact OD1-N 2.71Å; D658-W661 PolarHBondContact O-N 2.81Å; D658-W661 PolarHBondContact OD1-N 2.88Å; D658-W662 PolarHBondContact O-N 3.13Å; D658-W662 VanDerWaalsContact O-N 3.17Å
659	A	87	Confident	92.2	Very high	75 Å²	75	65.7 Å²	65.7	62%	0.62	37%	0.365	S	S	*	.	H	α-helix	trans	-61.1	-26.8	179.5	0	0	0	0	0	113.5	N663	A659-N663 VanDerWaalsContact O-CG 3.27Å; A659-N663 PolarHBondContact O-N 3.06Å; A659-N663 PolarHBondContact O-ND2 3.31Å
660	G	89.1	Confident	92.4	Very high	47 Å²	47	59.3 Å²	59.3	49%	0.485	34%	0.335	S	S	.	.	H	α-helix	trans	-68.5	-44.2	177.4	0	0	0	0	0	111.5	D658 N663	D658-G660 PolarHBondContact O-N 2.83Å; D658-G660 WeakPolarHBondContact OD1-CA 3.35Å; D658-G660 PolarHBondContact OD1-N 2.71Å; G660-N663 PolarHBondContact O-N 3.44Å
661	W	93.2	Very high	92.5	Very high	68 Å²	68	52.6 Å²	52.6	26%	0.258	30%	0.303	S	S	.	.	H	α-helix	trans	-61.7	-48.5	174.8	-172.6	90.3	0	0	0	111.5	H657 D658 N663 A664 A665 I670 M673	H657-W661 HydrophobicContact CB-CB 3.99Å; H657-W661 HydrophobicContact CB-CD2 3.64Å; H657-W661 HydrophobicContact CB-CE3 3.4Å; H657-W661 VanDerWaalsContact CB-CE3 3.4Å; H657-W661 HydrophobicContact CB-CG 3.89Å; H657-W661 HydrophobicContact CB-CZ3 4.21Å; H657-W661 AromaticContact CD2-CE3 3.86Å; H657-W661 AromaticContact CD2-CZ3 3.88Å; H657-W661 AromaticContact CE1-CE2 3.93Å; H657-W661 AromaticContact CG-CD2 3.5Å; H657-W661 AromaticContact CG-CE2 3.98Å; H657-W661 AromaticContact CG-CE3 3.51Å; H657-W661 AromaticContact CG-CG 3.95Å; H657-W661 AromaticContact ND1-CD1 3.91Å; H657-W661 AromaticContact ND1-CD2 3.6Å; H657-W661 AromaticContact ND1-CE2 3.76Å; H657-W661 AromaticContact ND1-CG 3.75Å; H657-W661 AromaticContact ND1-NE1 3.9Å; D658-W661 PolarHBondContact O-N 2.81Å; D658-W661 PolarHBondContact OD1-N 2.88Å; W661-N663 PolarHBondContact O-N 3.01Å; W661-A664 CarbonylContact O-C 3.5Å; W661-A664 PolarHBondContact O-N 3.45Å; W661-A665 HydrophobicContact CD2-CB 4.5Å; W661-A665 HydrophobicContact CE3-CB 3.96Å; W661-A665 HydrophobicContact CH2-CB 3.74Å; W661-A665 HydrophobicContact CZ2-CB 4.33Å; W661-A665 HydrophobicContact CZ3-CB 3.57Å; W661-A665 PolarHBondContact O-N 3.14Å; W661-I670 HydrophobicContact CH2-CD1 4.28Å; W661-I670 HydrophobicContact CZ3-CD1 4.37Å; W661-M673 HydrophobicContact CH2-CE 3.4Å; W661-M673 HydrophobicContact CH2-SD 3.79Å; W661-M673 HydrophobicContact CZ2-CE 4.4Å; W661-M673 HydrophobicContact CZ2-SD 4.33Å; W661-M673 HydrophobicContact CZ3-CE 3.99Å
662	W	91.2	Very high	92.6	Very high	43 Å²	43	51.2 Å²	51.2	16%	0.163	29%	0.292	C	S	.	.	H	α-helix	trans	-59.7	-31.1	178.9	-75.3	112.1	0	0	0	113.9	Y636 L648 I653 A654 H657 D658 A664 I670 M673	Y636-W662 AromaticContact CD1-CE3 3.9Å; Y636-W662 HydrophobicContact CD1-CE3 3.9Å; Y636-W662 HydrophobicContact CD1-CZ3 4.12Å; Y636-W662 AromaticContact CE1-CE3 3.72Å; Y636-W662 HydrophobicContact CE1-CE3 3.72Å; Y636-W662 AromaticContact CE1-CZ3 3.8Å; Y636-W662 HydrophobicContact CE1-CZ3 3.8Å; L648-W662 HydrophobicContact CD1-CH2 4.03Å; L648-W662 HydrophobicContact CD1-CZ3 3.89Å; L648-W662 HydrophobicContact CD2-CH2 4.14Å; I653-W662 HydrophobicContact CG2-CH2 4.22Å; I653-W662 HydrophobicContact CG2-CZ2 4.46Å; I653-W662 WeakPolarHBondContact O-CZ2 3.41Å; A654-W662 PolarHBondContact O-NE1 3.04Å; H657-W662 PolarHBondContact O-NE1 2.95Å; D658-W662 PolarHBondContact O-N 3.13Å; D658-W662 VanDerWaalsContact O-N 3.17Å; W662-A664 VanDerWaalsContact C-N 3.29Å; W662-A664 PolarHBondContact O-N 2.73Å; W662-I670 HydrophobicContact CE3-CD1 4.32Å; W662-I670 HydrophobicContact CH2-CD1 4.26Å; W662-I670 HydrophobicContact CZ3-CD1 3.54Å; W662-M673 HydrophobicContact CH2-CE 4.39Å
663	N	91.3	Very high	92.9	Very high	107 Å²	107	51.6 Å²	51.6	57%	0.572	29%	0.288	S	S	*	.	H	α-helix	trans	-70.2	-25.7	176.1	-77.3	-37.4	0	0	0	113.5	R637 A659 G660 W661	R637-N663 PolarHBondContact NH1-O 3Å; A659-N663 VanDerWaalsContact O-CG 3.27Å; A659-N663 PolarHBondContact O-N 3.06Å; A659-N663 PolarHBondContact O-ND2 3.31Å; G660-N663 PolarHBondContact O-N 3.44Å; W661-N663 PolarHBondContact O-N 3.01Å
664	A	93.3	Very high	93.1	Very high	63 Å²	63	51.2 Å²	51.2	52%	0.521	29%	0.286	S	S	.	.	H	α-helix	trans	-105.3	-8.4	-179.6	0	0	0	0	0	113.8	L635 W661 W662 T666	L635-A664 WeakPolarHBondContact CD2-O 3.36Å; W661-A664 CarbonylContact O-C 3.5Å; W661-A664 PolarHBondContact O-N 3.45Å; W662-A664 VanDerWaalsContact C-N 3.29Å; W662-A664 PolarHBondContact O-N 2.73Å; A664-T666 PolarHBondContact O-N 2.91Å
665	A	95.1	Very high	93.4	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.008	28%	0.277	C	S	.	.			trans	-60.6	134.2	-179.1	0	0	0	0	0	111.5	L635 Y636 W661 I670	L635-A665 CarbonylContact C-O 3.59Å; L635-A665 WeakPolarHBondContact CA-O 3.38Å; Y636-A665 PolarHBondContact N-O 3.31Å; W661-A665 HydrophobicContact CD2-CB 4.5Å; W661-A665 HydrophobicContact CE3-CB 3.96Å; W661-A665 HydrophobicContact CH2-CB 3.74Å; W661-A665 HydrophobicContact CZ2-CB 4.33Å; W661-A665 HydrophobicContact CZ3-CB 3.57Å; W661-A665 PolarHBondContact O-N 3.14Å; A665-I670 HydrophobicContact CB-CD1 4.15Å
666	T	96.5	Very high	93.6	Very high	18 Å²	18	47.7 Å²	47.7	11%	0.11	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-94.9	153.6	177.8	63.6	0	0	0	0	111.3	P633 R634 L635 A664 F668 E669 I670	P633-T666 HydrophobicContact CB-CG2 3.83Å; P633-T666 HydrophobicContact CG-CG2 3.64Å; R634-T666 WeakPolarHBondContact O-CA 3.47Å; L635-T666 HydrophobicContact CD2-CG2 4.17Å; A664-T666 PolarHBondContact O-N 2.91Å; T666-F668 PolarHBondContact O-N 3Å; T666-F668 VanDerWaalsContact O-N 3.14Å; T666-E669 PolarHBondContact N-OE2 2.85Å; T666-E669 PolarHBondContact O-N 2.81Å; T666-E669 WeakPolarHBondContact OG1-CG 3.43Å; T666-E669 PolarHBondContact OG1-N 3.35Å; T666-E669 PolarHBondContact OG1-OE2 3.45Å; T666-I670 WeakPolarHBondContact O-CG1 3.48Å; T666-I670 PolarHBondContact O-N 2.95Å
667	W	97	Very high	93.8	Very high	9 Å²	9	44.2 Å²	44.2	3%	0.034	26%	0.258	C	S	.	.	H	α-helix	trans	-57.8	-27.9	173.4	-76.8	104.9	0	0	0	113.4	R634 L635 Y636 T640 E641 V644 R671 A686 Q689 A690	R634-W667 PolarHBondContact O-N 3.24Å; L635-W667 PolarHBondContact O-NE1 2.5Å; L635-W667 VanDerWaalsContact O-NE1 3.13Å; Y636-W667 HydrophobicContact CD2-CD2 4.31Å; Y636-W667 HydrophobicContact CD2-CE3 4.08Å; Y636-W667 AromaticContact CD2-CH2 3.57Å; Y636-W667 HydrophobicContact CD2-CH2 3.57Å; Y636-W667 AromaticContact CD2-CZ2 3.8Å; Y636-W667 HydrophobicContact CD2-CZ2 3.8Å; Y636-W667 AromaticContact CD2-CZ3 3.73Å; Y636-W667 HydrophobicContact CD2-CZ3 3.73Å; Y636-W667 AromaticContact CE2-CH2 3.95Å; Y636-W667 HydrophobicContact CE2-CH2 3.95Å; Y636-W667 HydrophobicContact CE2-CZ2 4.49Å; Y636-W667 HydrophobicContact CE2-CZ3 4.2Å; T640-W667 HydrophobicContact CG2-CH2 4.31Å; T640-W667 HydrophobicContact CG2-CZ2 3.78Å; E641-W667 HydrophobicContact CB-CH2 4.03Å; E641-W667 HydrophobicContact CB-CZ3 4.4Å; E641-W667 HydrophobicContact CG-CH2 4.19Å; V644-W667 HydrophobicContact CB-CZ3 4.37Å; V644-W667 HydrophobicContact CG1-CZ3 3.98Å; V644-W667 HydrophobicContact CG2-CZ3 4.25Å; W667-R671 VanDerWaalsContact O-CB 3.28Å; W667-R671 WeakPolarHBondContact O-CB 3.1Å; W667-R671 PolarHBondContact O-N 3.47Å; W667-A686 HydrophobicContact CE3-CB 3.81Å; W667-A686 HydrophobicContact CZ3-CB 4.12Å; W667-Q689 HydrophobicContact CB-CB 4.46Å; W667-Q689 HydrophobicContact CD2-CB 3.39Å; W667-Q689 HydrophobicContact CD2-CG 4.2Å; W667-Q689 HydrophobicContact CE3-CB 3.67Å; W667-Q689 HydrophobicContact CE3-CG 4.14Å; W667-Q689 HydrophobicContact CG-CB 3.77Å; W667-Q689 HydrophobicContact CH2-CB 4.25Å; W667-Q689 HydrophobicContact CH2-CG 3.98Å; W667-Q689 HydrophobicContact CZ2-CB 4.03Å; W667-Q689 HydrophobicContact CZ2-CG 4.06Å; W667-Q689 HydrophobicContact CZ3-CB 4.06Å; W667-Q689 HydrophobicContact CZ3-CG 4Å; W667-A690 HydrophobicContact CB-CB 3.72Å
668	F	96.3	Very high	93.9	Very high	3 Å²	3	43.8 Å²	43.8	1%	0.013	27%	0.271	C	S	.	.	H	α-helix	trans	-66.3	-41.6	172.9	-72.9	-61.9	0	0	0	112.8	R581 P633 T666 D672 A690 M691	R581-F668 HydrophobicContact CB-CE1 4.31Å; R581-F668 HydrophobicContact CB-CZ 4.37Å; R581-F668 HydrophobicContact CG-CD1 4.07Å; R581-F668 HydrophobicContact CG-CE1 3.8Å; R581-F668 HydrophobicContact CG-CZ 4.2Å; P633-F668 HydrophobicContact CB-CD2 4.28Å; T666-F668 PolarHBondContact O-N 3Å; T666-F668 VanDerWaalsContact O-N 3.14Å; F668-D672 WeakPolarHBondContact O-CB 3.47Å; F668-D672 VanDerWaalsContact O-CG 3.25Å; F668-D672 PolarHBondContact O-N 3.2Å; F668-A690 HydrophobicContact CD1-CB 3.89Å; F668-A690 HydrophobicContact CD2-CB 4.17Å; F668-A690 HydrophobicContact CE1-CB 3.67Å; F668-A690 HydrophobicContact CE2-CB 3.94Å; F668-A690 HydrophobicContact CG-CB 4.14Å; F668-A690 HydrophobicContact CZ-CB 3.69Å; F668-M691 HydrophobicContact CE1-CE 3.75Å; F668-M691 HydrophobicContact CZ-CE 3.96Å
669	E	95.7	Very high	94	Very high	76 Å²	76	40.6 Å²	40.6	36%	0.355	25%	0.254	S	S	.	.	H	α-helix	trans	-67	-43.4	176	-71.4	161.4	139.2	0	0	110.7	T666 R671 D672 M673	T666-E669 PolarHBondContact N-OE2 2.85Å; T666-E669 PolarHBondContact O-N 2.81Å; T666-E669 WeakPolarHBondContact OG1-CG 3.43Å; T666-E669 PolarHBondContact OG1-N 3.35Å; T666-E669 PolarHBondContact OG1-OE2 3.45Å; E669-R671 PolarHBondContact O-N 3.18Å; E669-D672 PolarHBondContact O-N 3.24Å; E669-M673 VanDerWaalsContact O-CG 3.31Å; E669-M673 WeakPolarHBondContact O-CG 3.22Å; E669-M673 PolarHBondContact O-N 3.36Å
670	I	96.8	Very high	94.1	Very high	0 Å²	0	39 Å²	39	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-58.6	-47.5	175.5	-59.3	-44.8	0	0	0	111.4	Y636 V644 L648 W661 W662 A665 T666 D672 M673 L674 A686	Y636-I670 HydrophobicContact CD1-CD1 4.27Å; Y636-I670 HydrophobicContact CD1-CG1 4.3Å; Y636-I670 HydrophobicContact CD2-CG1 3.91Å; Y636-I670 HydrophobicContact CG-CD1 4.17Å; Y636-I670 HydrophobicContact CG-CG1 3.7Å; V644-I670 HydrophobicContact CG1-CG2 3.6Å; L648-I670 HydrophobicContact CD1-CG2 4.06Å; L648-I670 HydrophobicContact CD2-CG2 4.28Å; W661-I670 HydrophobicContact CH2-CD1 4.28Å; W661-I670 HydrophobicContact CZ3-CD1 4.37Å; W662-I670 HydrophobicContact CE3-CD1 4.32Å; W662-I670 HydrophobicContact CH2-CD1 4.26Å; W662-I670 HydrophobicContact CZ3-CD1 3.54Å; A665-I670 HydrophobicContact CB-CD1 4.15Å; T666-I670 WeakPolarHBondContact O-CG1 3.48Å; T666-I670 PolarHBondContact O-N 2.95Å; I670-D672 PolarHBondContact O-N 3.39Å; I670-M673 HydrophobicContact CD1-CE 3.45Å; I670-M673 VanDerWaalsContact CD1-CE 3.45Å; I670-M673 PolarHBondContact O-N 3.44Å; I670-L674 HydrophobicContact CG2-CD1 3.86Å; I670-L674 WeakPolarHBondContact O-CB 3.49Å; I670-L674 WeakPolarHBondContact O-CG 3.42Å; I670-L674 PolarHBondContact O-N 2.8Å; I670-A686 HydrophobicContact CG2-CB 4.07Å
671	R	96.1	Very high	94.1	Very high	3 Å²	3	40 Å²	40	1%	0.011	23%	0.232	C	C	.	.	H	α-helix	trans	-55.5	-51.5	174.6	172.6	-161.7	74.2	168.6	17.7	111.6	Y578 G579 A580 W667 E669 M673 L674 H675 A683 A686 H687 Y806	Y578-R671 HydrophobicContact CE2-CG 3.98Å; G579-R671 VanDerWaalsContact C-NH1 3.32Å; G579-R671 PolarHBondContact O-NH1 3.04Å; G579-R671 VanDerWaalsContact O-NH1 3.14Å; G579-R671 PolarHBondContact O-NH2 2.98Å; A580-R671 PolarHBondContact O-NH1 3.48Å; W667-R671 VanDerWaalsContact O-CB 3.28Å; W667-R671 WeakPolarHBondContact O-CB 3.1Å; W667-R671 PolarHBondContact O-N 3.47Å; E669-R671 PolarHBondContact O-N 3.18Å; R671-M673 VanDerWaalsContact C-N 3.33Å; R671-M673 PolarHBondContact O-N 2.94Å; R671-L674 PolarHBondContact O-N 2.83Å; R671-H675 WeakPolarHBondContact O-CB 3.22Å; R671-H675 PolarHBondContact O-N 3.44Å; R671-A683 WeakPolarHBondContact CG-O 3.48Å; R671-A686 HydrophobicContact CB-CB 4.04Å; R671-H687 WeakPolarHBondContact CD-ND1 3.41Å; R671-H687 HydrophobicContact CG-CB 4.05Å; R671-H687 PolarHBondContact NH1-ND1 3.24Å; R671-Y806 PolarHBondContact NE-OH 2.86Å; R671-Y806 VanDerWaalsContact NE-OH 3.17Å
672	D	96.3	Very high	94.2	Very high	15 Å²	15	36.8 Å²	36.8	8%	0.08	22%	0.22	C	C	.	.	H	α-helix	trans	-62.2	-41.4	-176.5	-77.3	11.5	0	0	0	111.2	F668 E669 I670 H675 I676 R805 Y806	F668-D672 WeakPolarHBondContact O-CB 3.47Å; F668-D672 VanDerWaalsContact O-CG 3.25Å; F668-D672 PolarHBondContact O-N 3.2Å; E669-D672 PolarHBondContact O-N 3.24Å; I670-D672 PolarHBondContact O-N 3.39Å; D672-H675 PolarHBondContact O-N 3.19Å; D672-I676 WeakPolarHBondContact O-CD1 3.37Å; D672-I676 VanDerWaalsContact O-CG1 3.29Å; D672-I676 WeakPolarHBondContact O-CG1 3.34Å; D672-I676 PolarHBondContact O-N 3.34Å; D672-I676 VanDerWaalsContact O-N 3.13Å; D672-R805 IonicContact OD2-CZ 3.93Å; D672-R805 IonicContact OD2-NH1 2.62Å; D672-R805 PolarHBondContact OD2-NH1 2.84Å; D672-R805 IonicContact OD2-NH2 3.64Å; D672-R805 PolarHBondContact OD2-NH2 2.82Å; D672-Y806 WeakPolarHBondContact CA-OH 3.45Å; D672-Y806 PolarHBondContact OD1-OH 2.95Å
673	M	95.8	Very high	94.3	Very high	33 Å²	33	34.7 Å²	34.7	16%	0.163	21%	0.212	C	C	.	.	H	α-helix	trans	-65.5	-45.4	177	-71	-172.2	-55.6	0	0	112.3	I653 W661 W662 E669 I670 R671 H675 I676 A677	I653-M673 HydrophobicContact CD1-CB 4.12Å; I653-M673 HydrophobicContact CG2-CB 4.42Å; I653-M673 HydrophobicContact CG2-CE 3.85Å; I653-M673 HydrophobicContact CG2-SD 3.78Å; W661-M673 HydrophobicContact CH2-CE 3.4Å; W661-M673 HydrophobicContact CH2-SD 3.79Å; W661-M673 HydrophobicContact CZ2-CE 4.4Å; W661-M673 HydrophobicContact CZ2-SD 4.33Å; W661-M673 HydrophobicContact CZ3-CE 3.99Å; W662-M673 HydrophobicContact CH2-CE 4.39Å; E669-M673 VanDerWaalsContact O-CG 3.31Å; E669-M673 WeakPolarHBondContact O-CG 3.22Å; E669-M673 PolarHBondContact O-N 3.36Å; I670-M673 HydrophobicContact CD1-CE 3.45Å; I670-M673 VanDerWaalsContact CD1-CE 3.45Å; I670-M673 PolarHBondContact O-N 3.44Å; R671-M673 VanDerWaalsContact C-N 3.33Å; R671-M673 PolarHBondContact O-N 2.94Å; M673-H675 VanDerWaalsContact C-N 3.32Å; M673-H675 PolarHBondContact O-N 2.78Å; M673-I676 PolarHBondContact O-N 3.02Å; M673-A677 PolarHBondContact O-N 2.79Å
674	L	96.2	Very high	94.4	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-67.1	-33.5	178.4	-72.2	171.6	0	0	0	112.5	V644 A647 L648 I653 I670 R671 A677 G678 N679 A682 A683	V644-L674 HydrophobicContact CG1-CD1 3.93Å; A647-L674 HydrophobicContact CB-CD2 3.76Å; L648-L674 HydrophobicContact CD2-CD1 4.36Å; L648-L674 HydrophobicContact CD2-CD2 3.86Å; L648-L674 HydrophobicContact CD2-CG 4Å; L648-L674 HydrophobicContact CG-CD2 4.28Å; I653-L674 HydrophobicContact CD1-CD2 4.27Å; I670-L674 HydrophobicContact CG2-CD1 3.86Å; I670-L674 WeakPolarHBondContact O-CB 3.49Å; I670-L674 WeakPolarHBondContact O-CG 3.42Å; I670-L674 PolarHBondContact O-N 2.8Å; R671-L674 PolarHBondContact O-N 2.83Å; L674-A677 PolarHBondContact O-N 3.3Å; L674-G678 PolarHBondContact O-N 3.27Å; L674-N679 HydrophobicContact CD2-CB 4.36Å; L674-N679 PolarHBondContact O-N 3.34Å; L674-A682 HydrophobicContact CD1-CB 3.83Å; L674-A682 HydrophobicContact CD2-CB 4.42Å; L674-A683 HydrophobicContact CB-CB 3.64Å
675	H	94.8	Very high	94.4	Very high	24 Å²	24	29 Å²	29	11%	0.111	17%	0.17	C	C	.	.	H	α-helix	trans	-60.7	-47.6	171.3	-178.2	76.6	0	0	0	111.1	Y578 R671 D672 M673 A677 G678 A683 R805 Y806	Y578-H675 AromaticContact CE1-ND1 3.51Å; Y578-H675 AromaticContact CZ-ND1 3.75Å; Y578-H675 WeakPolarHBondContact OH-CB 3.46Å; Y578-H675 PolarHBondContact OH-ND1 3.19Å; Y578-H675 VanDerWaalsContact OH-ND1 3.1Å; R671-H675 WeakPolarHBondContact O-CB 3.22Å; R671-H675 PolarHBondContact O-N 3.44Å; D672-H675 PolarHBondContact O-N 3.19Å; M673-H675 VanDerWaalsContact C-N 3.32Å; M673-H675 PolarHBondContact O-N 2.78Å; H675-A677 VanDerWaalsContact C-N 3.3Å; H675-A677 PolarHBondContact O-N 3.12Å; H675-G678 PolarHBondContact O-N 3.49Å; H675-A683 HydrophobicContact CB-CB 4.36Å; H675-R805 PolarHBondContact NE2-O 3.26Å; H675-Y806 HydrophobicContact CB-CE1 3.98Å; H675-Y806 AromaticContact CD2-CE1 3.89Å; H675-Y806 AromaticContact CE1-CD1 3.67Å; H675-Y806 AromaticContact CE1-CE1 3.98Å; H675-Y806 AromaticContact CG-CE1 3.53Å; H675-Y806 AromaticContact ND1-CD1 3.73Å; H675-Y806 AromaticContact ND1-CE1 3.6Å; H675-Y806 AromaticContact NE2-CD1 3.9Å
676	I	94.2	Very high	94.4	Very high	117 Å²	117	29 Å²	29	60%	0.6	17%	0.17	S	C	*	.	H	α-helix	trans	-64.5	-36.2	178.8	-68.1	164.8	0	0	0	111.3	D672 M673 G678	D672-I676 WeakPolarHBondContact O-CD1 3.37Å; D672-I676 VanDerWaalsContact O-CG1 3.29Å; D672-I676 WeakPolarHBondContact O-CG1 3.34Å; D672-I676 PolarHBondContact O-N 3.34Å; D672-I676 VanDerWaalsContact O-N 3.13Å; M673-I676 PolarHBondContact O-N 3.02Å; I676-G678 PolarHBondContact O-N 2.88Å
677	A	93.7	Very high	94.4	Very high	51 Å²	51	28.2 Å²	28.2	42%	0.421	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-3.7	174.2	0	0	0	0	0	113.8	I653 M673 L674 H675 N679	I653-A677 HydrophobicContact CD1-CB 3.83Å; M673-A677 PolarHBondContact O-N 2.79Å; L674-A677 PolarHBondContact O-N 3.3Å; H675-A677 VanDerWaalsContact C-N 3.3Å; H675-A677 PolarHBondContact O-N 3.12Å; A677-N679 VanDerWaalsContact C-N 3.27Å; A677-N679 PolarHBondContact O-N 2.76Å
678	G	91.7	Very high	94.3	Very high	54 Å²	54	29 Å²	29	56%	0.557	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.4	6.1	-179.7	0	0	0	0	0	114.6	L674 H675 I676 I680	L674-G678 PolarHBondContact O-N 3.27Å; H675-G678 PolarHBondContact O-N 3.49Å; I676-G678 PolarHBondContact O-N 2.88Å; G678-I680 VanDerWaalsContact C-N 3.29Å; G678-I680 PolarHBondContact O-N 3.01Å; G678-I680 VanDerWaalsContact O-N 3.07Å
679	N	93.1	Very high	94.2	Very high	46 Å²	46	29.8 Å²	29.8	25%	0.246	17%	0.172	C	C	.	.			trans	-87.3	69.9	177.3	-159.1	-36.7	0	0	0	110.7	A647 L674 A677 A682 A683	A647-N679 VanDerWaalsContact CB-ND2 3.3Å; A647-N679 WeakPolarHBondContact CB-ND2 3.37Å; L674-N679 HydrophobicContact CD2-CB 4.36Å; L674-N679 PolarHBondContact O-N 3.34Å; A677-N679 VanDerWaalsContact C-N 3.27Å; A677-N679 PolarHBondContact O-N 2.76Å; N679-A682 HydrophobicContact CB-CB 4.38Å; N679-A682 PolarHBondContact O-N 3.37Å; N679-A682 VanDerWaalsContact OD1-CB 3.27Å; N679-A682 WeakPolarHBondContact OD1-CB 3.44Å; N679-A682 PolarHBondContact OD1-N 2.94Å; N679-A683 WeakPolarHBondContact O-CB 3.41Å; N679-A683 PolarHBondContact O-N 3.12Å
680	I	89.5	Confident	94.3	Very high	40 Å²	40	26.2 Å²	26.2	21%	0.205	16%	0.156	C	C	.	.	H	α-helix	trans	-58.6	-44.8	-174.5	-55.1	-58.1	0	0	0	113.2	G678 A682 A683 Q684	G678-I680 VanDerWaalsContact C-N 3.29Å; G678-I680 PolarHBondContact O-N 3.01Å; G678-I680 VanDerWaalsContact O-N 3.07Å; I680-A682 VanDerWaalsContact C-N 3.34Å; I680-A682 PolarHBondContact O-N 3.01Å; I680-A683 PolarHBondContact O-N 3.1Å; I680-Q684 HydrophobicContact CG2-CG 4.28Å; I680-Q684 WeakPolarHBondContact O-CG 3.34Å; I680-Q684 PolarHBondContact O-N 2.93Å
681	P	89.6	Confident	94.2	Very high	69 Å²	69	26.3 Å²	26.3	45%	0.448	16%	0.156	S	C	.	.	H	α-helix	trans	-58.8	-44.7	179.1	-25	35.8	0	0	0	112.4	Q684 R685	P681-Q684 PolarHBondContact O-N 2.73Å; P681-R685 WeakPolarHBondContact O-CG 3.5Å; P681-R685 PolarHBondContact O-N 3.09Å; P681-R685 VanDerWaalsContact O-N 3.11Å
682	A	93.5	Very high	94.2	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-66.1	-43.2	177.1	0	0	0	0	0	112.2	L643 V644 A647 L674 N679 I680 Q684 R685 A686	L643-A682 HydrophobicContact CD2-CB 3.41Å; L643-A682 VanDerWaalsContact CD2-CB 3.41Å; V644-A682 WeakPolarHBondContact CG2-O 3.32Å; A647-A682 HydrophobicContact CB-CB 3.39Å; L674-A682 HydrophobicContact CD1-CB 3.83Å; L674-A682 HydrophobicContact CD2-CB 4.42Å; N679-A682 HydrophobicContact CB-CB 4.38Å; N679-A682 PolarHBondContact O-N 3.37Å; N679-A682 VanDerWaalsContact OD1-CB 3.27Å; N679-A682 WeakPolarHBondContact OD1-CB 3.44Å; N679-A682 PolarHBondContact OD1-N 2.94Å; I680-A682 VanDerWaalsContact C-N 3.34Å; I680-A682 PolarHBondContact O-N 3.01Å; A682-Q684 VanDerWaalsContact C-N 3.27Å; A682-Q684 PolarHBondContact O-N 3.43Å; A682-R685 WeakPolarHBondContact O-CB 3.34Å; A682-R685 PolarHBondContact O-N 2.85Å; A682-R685 VanDerWaalsContact O-N 3.16Å; A682-A686 PolarHBondContact O-N 2.84Å
683	A	94.5	Very high	94.2	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-61	-36.9	177	0	0	0	0	0	112.1	Y578 R671 L674 H675 N679 I680 A686 H687	Y578-A683 HydrophobicContact CE2-CB 4.16Å; Y578-A683 WeakPolarHBondContact OH-CB 3.47Å; R671-A683 WeakPolarHBondContact CG-O 3.48Å; L674-A683 HydrophobicContact CB-CB 3.64Å; H675-A683 HydrophobicContact CB-CB 4.36Å; N679-A683 WeakPolarHBondContact O-CB 3.41Å; N679-A683 PolarHBondContact O-N 3.12Å; I680-A683 PolarHBondContact O-N 3.1Å; A683-A686 PolarHBondContact O-N 2.87Å; A683-H687 WeakPolarHBondContact O-CB 3.37Å; A683-H687 PolarHBondContact O-N 3.1Å
684	Q	92.3	Very high	94.1	Very high	21 Å²	21	25.1 Å²	25.1	10%	0.098	15%	0.15	C	C	.	.	H	α-helix	trans	-67.3	-40.9	174.4	-74.9	176.5	-28.1	0	0	112.4	Y578 I680 P681 A682 A686 H687 Y688 M747	Y578-Q684 HydrophobicContact CD2-CB 4.46Å; Y578-Q684 HydrophobicContact CD2-CG 3.65Å; Y578-Q684 HydrophobicContact CE2-CB 4.45Å; Y578-Q684 HydrophobicContact CE2-CG 3.74Å; Y578-Q684 HydrophobicContact CG-CG 4.07Å; I680-Q684 HydrophobicContact CG2-CG 4.28Å; I680-Q684 WeakPolarHBondContact O-CG 3.34Å; I680-Q684 PolarHBondContact O-N 2.93Å; P681-Q684 PolarHBondContact O-N 2.73Å; A682-Q684 VanDerWaalsContact C-N 3.27Å; A682-Q684 PolarHBondContact O-N 3.43Å; Q684-A686 VanDerWaalsContact C-N 3.33Å; Q684-A686 PolarHBondContact O-N 3.5Å; Q684-H687 WeakPolarHBondContact O-CB 3.31Å; Q684-H687 PolarHBondContact O-N 3.25Å; Q684-H687 VanDerWaalsContact O-N 3.16Å; Q684-Y688 WeakPolarHBondContact O-CD2 3.4Å; Q684-Y688 PolarHBondContact O-N 3.32Å; Q684-Y688 VanDerWaalsContact O-N 3.13Å; Q684-M747 HydrophobicContact CB-SD 3.72Å; Q684-M747 HydrophobicContact CG-SD 4.35Å; Q684-M747 PolarHBondContact OE1-SD 3.24Å
685	R	93.9	Very high	93.8	Very high	30 Å²	30	27.2 Å²	27.2	11%	0.113	17%	0.168	C	C	.	.	H	α-helix	trans	-58.3	-46.4	171.9	-64.4	-59.1	-63	178.6	6.7	111.4	E641 L643 V644 P681 A682 H687 Y688 Q689 T744 R745	E641-R685 IonicContact OE1-CZ 2.88Å; E641-R685 IonicContact OE1-NE 2.93Å; E641-R685 IonicContact OE1-NH2 3.13Å; E641-R685 PolarHBondContact OE1-NH2 3.08Å; E641-R685 IonicContact OE2-CZ 2.74Å; E641-R685 IonicContact OE2-NE 2.98Å; E641-R685 PolarHBondContact OE2-NE 3.25Å; E641-R685 IonicContact OE2-NH2 2.77Å; E641-R685 PolarHBondContact OE2-NH2 3.32Å; L643-R685 HydrophobicContact CD2-CG 4.24Å; V644-R685 HydrophobicContact CG2-CB 3.85Å; P681-R685 WeakPolarHBondContact O-CG 3.5Å; P681-R685 PolarHBondContact O-N 3.09Å; P681-R685 VanDerWaalsContact O-N 3.11Å; A682-R685 WeakPolarHBondContact O-CB 3.34Å; A682-R685 PolarHBondContact O-N 2.85Å; A682-R685 VanDerWaalsContact O-N 3.16Å; R685-H687 VanDerWaalsContact C-N 3.3Å; R685-H687 PolarHBondContact O-N 2.96Å; R685-Y688 PolarHBondContact O-N 3.44Å; R685-Q689 PolarHBondContact O-N 3.42Å; R685-T744 PolarHBondContact NH1-O 2.65Å; R685-T744 PolarHBondContact NH2-O 3.37Å; R685-R745 PolarHBondContact NH1-O 3.24Å
686	A	96	Very high	93.7	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-61	-38.5	175.3	0	0	0	0	0	112.4	V644 W667 I670 R671 A682 A683 Q684 Y688 Q689 A690	V644-A686 HydrophobicContact CG2-CB 4.12Å; W667-A686 HydrophobicContact CE3-CB 3.81Å; W667-A686 HydrophobicContact CZ3-CB 4.12Å; I670-A686 HydrophobicContact CG2-CB 4.07Å; R671-A686 HydrophobicContact CB-CB 4.04Å; A682-A686 PolarHBondContact O-N 2.84Å; A683-A686 PolarHBondContact O-N 2.87Å; Q684-A686 VanDerWaalsContact C-N 3.33Å; Q684-A686 PolarHBondContact O-N 3.5Å; A686-Y688 PolarHBondContact O-N 2.86Å; A686-Q689 PolarHBondContact O-N 2.93Å; A686-A690 PolarHBondContact O-N 3.43Å
687	H	95.4	Very high	93.7	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.005	14%	0.143	C	C	.	.	H	α-helix	trans	-58.2	-46.5	175.5	-178.6	97.3	0	0	0	112	V576 M577 Y578 G579 A580 R671 A683 Q684 R685 Q689 A690 M691	V576-H687 PolarHBondContact O-NE2 2.86Å; M577-H687 PolarHBondContact O-CE1 3.24Å; Y578-H687 HydrophobicContact CD2-CB 3.92Å; Y578-H687 AromaticContact CD2-CG 3.99Å; Y578-H687 HydrophobicContact CE2-CB 4.18Å; G579-H687 PolarHBondContact N-CE1 3.05Å; G579-H687 PolarHBondContact N-ND1 3.24Å; A580-H687 PolarHBondContact O-CE1 2.94Å; A580-H687 VanDerWaalsContact O-CE1 3.28Å; R671-H687 WeakPolarHBondContact CD-ND1 3.41Å; R671-H687 HydrophobicContact CG-CB 4.05Å; R671-H687 PolarHBondContact NH1-ND1 3.24Å; A683-H687 WeakPolarHBondContact O-CB 3.37Å; A683-H687 PolarHBondContact O-N 3.1Å; Q684-H687 WeakPolarHBondContact O-CB 3.31Å; Q684-H687 PolarHBondContact O-N 3.25Å; Q684-H687 VanDerWaalsContact O-N 3.16Å; R685-H687 VanDerWaalsContact C-N 3.3Å; R685-H687 PolarHBondContact O-N 2.96Å; H687-Q689 VanDerWaalsContact C-N 3.29Å; H687-Q689 PolarHBondContact O-N 2.83Å; H687-A690 WeakPolarHBondContact O-CB 3.21Å; H687-A690 PolarHBondContact O-N 3.29Å; H687-A690 VanDerWaalsContact O-N 3.08Å; H687-M691 WeakPolarHBondContact O-CE 3.44Å
688	Y	94.7	Very high	93.7	Very high	25 Å²	25	20.3 Å²	20.3	10%	0.098	13%	0.125	C	C	.	.	H	α-helix	trans	-64.6	-33.3	179.7	-59.7	-39.8	0	0	0	113.1	D575 Q684 R685 A686 A690 M691 T744 M747	D575-Y688 HydrophobicContact CB-CD1 4.35Å; D575-Y688 HydrophobicContact CB-CE1 4.4Å; D575-Y688 VanDerWaalsContact CG-CD1 3.41Å; D575-Y688 WeakPolarHBondContact OD1-CD1 3.39Å; D575-Y688 WeakPolarHBondContact OD2-CD1 3.44Å; D575-Y688 WeakPolarHBondContact OD2-CE1 3.36Å; Q684-Y688 WeakPolarHBondContact O-CD2 3.4Å; Q684-Y688 PolarHBondContact O-N 3.32Å; Q684-Y688 VanDerWaalsContact O-N 3.13Å; R685-Y688 PolarHBondContact O-N 3.44Å; A686-Y688 PolarHBondContact O-N 2.86Å; Y688-A690 PolarHBondContact O-N 2.84Å; Y688-M691 PolarHBondContact O-N 2.74Å; Y688-T744 HydrophobicContact CD2-CG2 3.82Å; Y688-T744 HydrophobicContact CE2-CG2 3.85Å; Y688-T744 HydrophobicContact CG-CG2 4.29Å; Y688-M747 HydrophobicContact CE2-CG 4.29Å; Y688-M747 HydrophobicContact CE2-SD 3.97Å
689	Q	95.7	Very high	93.7	Very high	20 Å²	20	21.2 Å²	21.2	9%	0.093	13%	0.127	C	C	.	.	H	α-helix	trans	-68.6	-18.2	175.2	-64.5	-59.5	-22	0	0	113.3	R634 E641 W667 R685 A686 H687 C743	R634-Q689 WeakPolarHBondContact CD-O 3.48Å; E641-Q689 HydrophobicContact CG-CG 3.64Å; E641-Q689 PolarHBondContact OE1-NE2 2.9Å; W667-Q689 HydrophobicContact CB-CB 4.46Å; W667-Q689 HydrophobicContact CD2-CB 3.39Å; W667-Q689 HydrophobicContact CD2-CG 4.2Å; W667-Q689 HydrophobicContact CE3-CB 3.67Å; W667-Q689 HydrophobicContact CE3-CG 4.14Å; W667-Q689 HydrophobicContact CG-CB 3.77Å; W667-Q689 HydrophobicContact CH2-CB 4.25Å; W667-Q689 HydrophobicContact CH2-CG 3.98Å; W667-Q689 HydrophobicContact CZ2-CB 4.03Å; W667-Q689 HydrophobicContact CZ2-CG 4.06Å; W667-Q689 HydrophobicContact CZ3-CB 4.06Å; W667-Q689 HydrophobicContact CZ3-CG 4Å; R685-Q689 PolarHBondContact O-N 3.42Å; A686-Q689 PolarHBondContact O-N 2.93Å; H687-Q689 VanDerWaalsContact C-N 3.29Å; H687-Q689 PolarHBondContact O-N 2.83Å; Q689-C743 PolarHBondContact OE1-SG 3.37Å
690	A	95.9	Very high	93.8	Very high	2 Å²	2	19.4 Å²	19.4	2%	0.017	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-11	178.3	0	0	0	0	0	113.6	W667 F668 A686 H687 Y688	W667-A690 HydrophobicContact CB-CB 3.72Å; F668-A690 HydrophobicContact CD1-CB 3.89Å; F668-A690 HydrophobicContact CD2-CB 4.17Å; F668-A690 HydrophobicContact CE1-CB 3.67Å; F668-A690 HydrophobicContact CE2-CB 3.94Å; F668-A690 HydrophobicContact CG-CB 4.14Å; F668-A690 HydrophobicContact CZ-CB 3.69Å; A686-A690 PolarHBondContact O-N 3.43Å; H687-A690 WeakPolarHBondContact O-CB 3.21Å; H687-A690 PolarHBondContact O-N 3.29Å; H687-A690 VanDerWaalsContact O-N 3.08Å; Y688-A690 PolarHBondContact O-N 2.84Å
691	M	96.2	Very high	94	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.005	11%	0.109	C	C	.	.	S	Bend	trans	-79.6	154.9	-170.4	-63.9	-60.5	110.2	0	0	113.1	N572 V576 F625 R634 F668 H687 Y688	N572-M691 WeakPolarHBondContact ND2-CB 3.31Å; V576-M691 HydrophobicContact CG2-CE 4.28Å; V576-M691 HydrophobicContact CG2-SD 3.7Å; F625-M691 HydrophobicContact CE1-SD 4.18Å; R634-M691 PolarHBondContact NE-O 2.69Å; R634-M691 PolarHBondContact NH2-O 2.84Å; F668-M691 HydrophobicContact CE1-CE 3.75Å; F668-M691 HydrophobicContact CZ-CE 3.96Å; H687-M691 WeakPolarHBondContact O-CE 3.44Å; Y688-M691 PolarHBondContact O-N 2.74Å
692	P	96.2	Very high	94	Very high	3 Å²	3	16.2 Å²	16.2	2%	0.019	11%	0.106	C	C	.	.			trans	-59.4	158.3	166.8	-19.7	31.5	0	0	0	111.9	N572 F574 A624 F625 Y628	N572-P692 PolarHBondContact ND2-O 3.07Å; N572-P692 PolarHBondContact OD1-O 2.84Å; F574-P692 HydrophobicContact CB-CB 4.08Å; F574-P692 HydrophobicContact CB-CG 4.35Å; F574-P692 WeakPolarHBondContact CB-O 3.28Å; F574-P692 HydrophobicContact CD1-CB 4.48Å; F574-P692 HydrophobicContact CG-CB 4.08Å; A624-P692 HydrophobicContact CB-CB 4.21Å; A624-P692 HydrophobicContact CB-CG 4.31Å; F625-P692 HydrophobicContact CD1-CG 3.96Å; F625-P692 HydrophobicContact CD2-CG 4.49Å; F625-P692 HydrophobicContact CE1-CG 3.92Å; F625-P692 HydrophobicContact CE2-CG 4.43Å; F625-P692 HydrophobicContact CG-CG 4.27Å; F625-P692 HydrophobicContact CZ-CG 4.16Å; Y628-P692 HydrophobicContact CD2-CB 3.94Å; Y628-P692 HydrophobicContact CD2-CG 4.2Å
693	L	95.4	Very high	94	Very high	23 Å²	23	18.4 Å²	18.4	12%	0.12	12%	0.117	C	C	.	.			trans	-121.6	154.1	174.9	-64.5	175.6	0	0	0	111.9	R634 A695 E696 G742	R634-L693 VanDerWaalsContact NH2-CG 3.31Å; L693-A695 VanDerWaalsContact C-N 3.28Å; L693-A695 PolarHBondContact O-N 2.62Å; L693-E696 HydrophobicContact CB-CG 4.37Å; L693-E696 PolarHBondContact N-OE2 3.11Å; L693-E696 WeakPolarHBondContact O-CB 3.31Å; L693-E696 PolarHBondContact O-N 3.36Å; L693-E696 VanDerWaalsContact O-N 3.08Å; L693-G742 VanDerWaalsContact CD2-C 3.45Å
694	L	94.1	Very high	93.8	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-59.5	-38.5	-179.8	-176.5	58.1	0	0	0	112.9	L573 F574 L595 L598 E696 M697 L730 H734 M740	L573-L694 HydrophobicContact CD2-CD1 4.44Å; F574-L694 HydrophobicContact CE2-CB 4.07Å; F574-L694 HydrophobicContact CE2-CD1 4.27Å; F574-L694 HydrophobicContact CZ-CD1 4.43Å; L595-L694 HydrophobicContact CD2-CD1 3.56Å; L598-L694 HydrophobicContact CD1-CD1 4.4Å; L598-L694 HydrophobicContact CD1-CD2 4.38Å; L694-E696 PolarHBondContact O-N 2.76Å; L694-M697 HydrophobicContact CD1-CG 4.29Å; L694-M697 WeakPolarHBondContact O-CB 3.39Å; L694-M697 WeakPolarHBondContact O-CG 3.39Å; L694-M697 PolarHBondContact O-N 3.26Å; L694-L730 HydrophobicContact CD1-CD2 4.49Å; L694-H734 HydrophobicContact CD2-CB 4.44Å; L694-H734 HydrophobicContact CG-CB 4.35Å; L694-M740 HydrophobicContact CD2-CG 4.34Å
695	A	90.5	Very high	93.6	Very high	45 Å²	45	24.7 Å²	24.7	37%	0.372	16%	0.16	S	C	.	.	H	α-helix	trans	-58.6	-21.1	178.4	0	0	0	0	0	113.6	L693	L693-A695 VanDerWaalsContact C-N 3.28Å; L693-A695 PolarHBondContact O-N 2.62Å
696	E	92.6	Very high	93.5	Very high	40 Å²	40	23.3 Å²	23.3	19%	0.187	16%	0.156	C	C	.	.	H	α-helix	trans	-92.1	-19	-174.6	-65.2	167.7	164.2	0	0	112.6	Y628 R634 L693 L694 S698 A699 L700	Y628-E696 HydrophobicContact CE2-CB 3.99Å; Y628-E696 WeakPolarHBondContact CE2-OE2 3.45Å; Y628-E696 WeakPolarHBondContact OH-CB 3.44Å; R634-E696 IonicContact CZ-OE1 3.46Å; R634-E696 IonicContact CZ-OE2 2.9Å; R634-E696 IonicContact NH1-OE1 3.19Å; R634-E696 IonicContact NH2-OE1 3.46Å; R634-E696 PolarHBondContact NH2-OE1 2.77Å; R634-E696 IonicContact NH2-OE2 3.86Å; R634-E696 PolarHBondContact NH2-OE2 2.91Å; L693-E696 HydrophobicContact CB-CG 4.37Å; L693-E696 PolarHBondContact N-OE2 3.11Å; L693-E696 WeakPolarHBondContact O-CB 3.31Å; L693-E696 PolarHBondContact O-N 3.36Å; L693-E696 VanDerWaalsContact O-N 3.08Å; L694-E696 PolarHBondContact O-N 2.76Å; E696-S698 VanDerWaalsContact C-N 3.32Å; E696-S698 PolarHBondContact O-N 2.69Å; E696-A699 PolarHBondContact O-N 3.34Å; E696-L700 PolarHBondContact O-N 2.82Å
697	M	94.1	Very high	93.4	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-62.2	-39.9	-173.9	-61.2	-59.4	-77	0	0	111.8	F574 L595 L620 V621 A624 L694 A699 L700 L701 L730	F574-M697 HydrophobicContact CE1-CE 3.57Å; F574-M697 HydrophobicContact CE1-CG 4.37Å; F574-M697 HydrophobicContact CE1-SD 3.76Å; F574-M697 HydrophobicContact CE2-CG 3.97Å; F574-M697 HydrophobicContact CE2-SD 4.2Å; F574-M697 HydrophobicContact CZ-CE 3.63Å; F574-M697 HydrophobicContact CZ-CG 3.54Å; F574-M697 HydrophobicContact CZ-SD 3.52Å; F574-M697 VanDerWaalsContact CZ-SD 3.52Å; L595-M697 HydrophobicContact CD1-CE 3.92Å; L620-M697 HydrophobicContact CB-CE 4.42Å; L620-M697 HydrophobicContact CD2-CB 4.16Å; L620-M697 HydrophobicContact CD2-CE 3.83Å; L620-M697 HydrophobicContact CG-CE 3.63Å; V621-M697 HydrophobicContact CG2-CE 4.3Å; A624-M697 HydrophobicContact CB-CE 4.14Å; A624-M697 HydrophobicContact CB-SD 3.7Å; L694-M697 HydrophobicContact CD1-CG 4.29Å; L694-M697 WeakPolarHBondContact O-CB 3.39Å; L694-M697 WeakPolarHBondContact O-CG 3.39Å; L694-M697 PolarHBondContact O-N 3.26Å; M697-A699 VanDerWaalsContact C-N 3.28Å; M697-A699 PolarHBondContact O-N 2.87Å; M697-L700 PolarHBondContact O-N 2.98Å; M697-L700 HydrophobicContact SD-CD1 4.44Å; M697-L701 PolarHBondContact O-N 2.87Å; M697-L730 HydrophobicContact CB-CD1 3.99Å
698	S	92.5	Very high	93.2	Very high	6 Å²	6	37.1 Å²	37.1	4%	0.042	22%	0.217	C	C	.	.	H	α-helix	trans	-59.7	-35	178.7	-68.6	0	0	0	0	114	E696 R727 L730 D731	E696-S698 VanDerWaalsContact C-N 3.32Å; E696-S698 PolarHBondContact O-N 2.69Å; S698-R727 PolarHBondContact O-NE 2.9Å; S698-R727 PolarHBondContact O-NH2 2.84Å; S698-R727 PolarHBondContact OG-O 3.42Å; S698-L730 WeakPolarHBondContact OG-CB 3.24Å; S698-D731 WeakPolarHBondContact CB-OD1 3.37Å; S698-D731 PolarHBondContact OG-OD1 2.98Å
699	A	91.9	Very high	93.1	Very high	73 Å²	73	40.4 Å²	40.4	60%	0.603	24%	0.24	S	C	*	.	H	α-helix	trans	-71.7	-38.4	178.5	0	0	0	0	0	111.3	E696 M697 L701 G702	E696-A699 PolarHBondContact O-N 3.34Å; M697-A699 VanDerWaalsContact C-N 3.28Å; M697-A699 PolarHBondContact O-N 2.87Å; A699-L701 PolarHBondContact O-N 3.25Å; A699-G702 PolarHBondContact O-N 3.35Å; A699-G702 VanDerWaalsContact O-N 3.12Å
700	L	94.4	Very high	92.9	Very high	9 Å²	9	40.3 Å²	40.3	5%	0.047	24%	0.239	C	C	.	.	H	α-helix	trans	-65.8	-23.6	-178.7	-66.7	175.9	0	0	0	113.7	L620 L623 A624 E627 Y628 E696 M697 G702 Q703	L620-L700 HydrophobicContact CD1-CB 3.6Å; L623-L700 HydrophobicContact CD2-CB 4.35Å; A624-L700 HydrophobicContact CB-CD1 3.57Å; E627-L700 HydrophobicContact CB-CD2 4.34Å; E627-L700 HydrophobicContact CG-CD2 4.14Å; Y628-L700 HydrophobicContact CE2-CD1 4.16Å; E696-L700 PolarHBondContact O-N 2.82Å; M697-L700 PolarHBondContact O-N 2.98Å; M697-L700 HydrophobicContact SD-CD1 4.44Å; L700-G702 PolarHBondContact O-N 3.28Å; L700-G702 VanDerWaalsContact O-N 3.11Å; L700-Q703 HydrophobicContact CD2-CG 4.49Å; L700-Q703 WeakPolarHBondContact O-CB 3.47Å; L700-Q703 PolarHBondContact O-N 2.9Å
701	L	93.9	Very high	92.6	Very high	3 Å²	3	41 Å²	41	2%	0.016	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-22.7	172.8	-69	168.1	0	0	0	113.3	I616 L620 M697 A699 Q703 I706 L723 I726 R727 L730	I616-L701 HydrophobicContact CG2-CD2 3.92Å; L620-L701 HydrophobicContact CD1-CD2 3.99Å; L620-L701 HydrophobicContact CD1-CG 4.1Å; L620-L701 HydrophobicContact CD2-CD2 3.98Å; L620-L701 HydrophobicContact CD2-CG 4.27Å; M697-L701 PolarHBondContact O-N 2.87Å; A699-L701 PolarHBondContact O-N 3.25Å; L701-Q703 VanDerWaalsContact C-N 3.33Å; L701-I706 HydrophobicContact CD2-CG2 4.41Å; L701-L723 HydrophobicContact CD2-CD2 4.13Å; L701-I726 HydrophobicContact CD1-CB 4.46Å; L701-I726 HydrophobicContact CD1-CG2 4.02Å; L701-I726 HydrophobicContact CD2-CG2 4.26Å; L701-R727 HydrophobicContact CD1-CB 3.71Å; L701-L730 HydrophobicContact CD1-CD1 4.24Å
702	G	91.3	Very high	92.4	Very high	38 Å²	38	46.9 Å²	46.9	39%	0.392	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-11	177.4	0	0	0	0	0	114.6	A699 L700	A699-G702 PolarHBondContact O-N 3.35Å; A699-G702 VanDerWaalsContact O-N 3.12Å; L700-G702 PolarHBondContact O-N 3.28Å; L700-G702 VanDerWaalsContact O-N 3.11Å
703	Q	91.9	Very high	92.2	Very high	47 Å²	47	48.3 Å²	48.3	22%	0.22	29%	0.291	C	S	.	.	S	Bend	trans	-66.9	145.7	-177.7	-70.9	-157.4	1.1	0	0	111.7	L623 L700 L701 S705 I706 R707	L623-Q703 VanDerWaalsContact CD1-OE1 3.26Å; L623-Q703 HydrophobicContact CD2-CB 3.93Å; L623-Q703 HydrophobicContact CD2-CG 4.17Å; L700-Q703 HydrophobicContact CD2-CG 4.49Å; L700-Q703 WeakPolarHBondContact O-CB 3.47Å; L700-Q703 PolarHBondContact O-N 2.9Å; L701-Q703 VanDerWaalsContact C-N 3.33Å; Q703-S705 PolarHBondContact O-N 3.1Å; Q703-S705 VanDerWaalsContact O-N 3.14Å; Q703-I706 PolarHBondContact O-N 2.74Å; Q703-R707 PolarHBondContact O-N 2.91Å
704	P	90.7	Very high	92.1	Very high	87 Å²	87	52.4 Å²	52.4	57%	0.565	31%	0.309	S	S	*	.	H	α-helix	trans	-52.1	-39.2	-177.9	-28.1	35	0	0	0	113.7	I706 R707 D708	P704-I706 PolarHBondContact O-N 3.16Å; P704-I706 VanDerWaalsContact O-N 3.09Å; P704-R707 PolarHBondContact O-N 2.6Å; P704-D708 VanDerWaalsContact O-CB 3.24Å; P704-D708 WeakPolarHBondContact O-CB 3.18Å; P704-D708 PolarHBondContact O-N 3.38Å
705	S	88.7	Confident	91.9	Very high	65 Å²	65	55.3 Å²	55.3	46%	0.455	32%	0.32	S	S	.	.	H	α-helix	trans	-58.8	-26.3	-179.1	56.4	0	0	0	0	114.8	Q703	Q703-S705 PolarHBondContact O-N 3.1Å; Q703-S705 VanDerWaalsContact O-N 3.14Å
706	I	92.2	Very high	91.6	Very high	2 Å²	2	57.1 Å²	57.1	1%	0.01	32%	0.323	C	S	.	.	H	α-helix	trans	-99	-46.2	175.7	-63.6	178.9	0	0	0	109.9	I616 L620 L623 L701 Q703 P704 D708 V709 F710 L723	I616-I706 HydrophobicContact CG2-CG2 4.39Å; L620-I706 HydrophobicContact CB-CD1 4.13Å; L620-I706 HydrophobicContact CD1-CD1 3.55Å; L620-I706 HydrophobicContact CG-CD1 4.47Å; L623-I706 HydrophobicContact CD2-CD1 3.72Å; L623-I706 HydrophobicContact CD2-CG1 4.11Å; L701-I706 HydrophobicContact CD2-CG2 4.41Å; Q703-I706 PolarHBondContact O-N 2.74Å; P704-I706 PolarHBondContact O-N 3.16Å; P704-I706 VanDerWaalsContact O-N 3.09Å; I706-D708 VanDerWaalsContact C-N 3.35Å; I706-D708 PolarHBondContact O-N 3.24Å; I706-V709 PolarHBondContact O-N 2.96Å; I706-F710 HydrophobicContact CG2-CD2 4.27Å; I706-F710 PolarHBondContact O-N 3.36Å; I706-L723 HydrophobicContact CG2-CD1 4.26Å; I706-L723 HydrophobicContact CG2-CD2 3.79Å
707	R	93	Very high	91.3	Very high	161 Å²	161	63.7 Å²	63.7	61%	0.608	36%	0.36	S	S	*	.	H	α-helix	trans	-63.5	-38	-174.6	-176	-179.2	171.1	-174	-3.8	112.8	Q703 P704 V709 G711	Q703-R707 PolarHBondContact O-N 2.91Å; P704-R707 PolarHBondContact O-N 2.6Å; R707-V709 VanDerWaalsContact C-N 3.27Å; R707-V709 PolarHBondContact O-N 2.84Å; R707-G711 WeakPolarHBondContact O-CA 3.42Å; R707-G711 PolarHBondContact O-N 3.12Å
708	D	92	Very high	91.1	Very high	130 Å²	130	65.4 Å²	65.4	70%	0.695	37%	0.372	S	S	*	.	H	α-helix	trans	-70.7	-27.1	-176.7	-64.2	-16	0	0	0	112	P704 I706	P704-D708 VanDerWaalsContact O-CB 3.24Å; P704-D708 WeakPolarHBondContact O-CB 3.18Å; P704-D708 PolarHBondContact O-N 3.38Å; I706-D708 VanDerWaalsContact C-N 3.35Å; I706-D708 PolarHBondContact O-N 3.24Å
709	V	91.3	Very high	90.9	Very high	94 Å²	94	73.4 Å²	73.4	57%	0.57	41%	0.409	S	S	*	.	H	α-helix	trans	-91.6	-44.4	-179.4	-176.6	0	0	0	0	111.7	I706 R707	I706-V709 PolarHBondContact O-N 2.96Å; R707-V709 VanDerWaalsContact C-N 3.27Å; R707-V709 PolarHBondContact O-N 2.84Å
710	F	92.9	Very high	90.9	Very high	18 Å²	18	72.2 Å²	72.2	8%	0.079	39%	0.391	C	S	.	.	H	α-helix	trans	-112.7	-2.3	-169.6	-59.2	-75.5	0	0	0	114.2	Q615 I616 I706 T712 V713 L723	Q615-F710 HydrophobicContact CB-CE1 4.36Å; Q615-F710 HydrophobicContact CB-CZ 4.03Å; I616-F710 HydrophobicContact CD1-CB 3.97Å; I616-F710 HydrophobicContact CD1-CD1 3.9Å; I616-F710 HydrophobicContact CD1-CG 3.9Å; I616-F710 HydrophobicContact CG1-CB 3.99Å; I616-F710 HydrophobicContact CG1-CD1 3.62Å; I616-F710 HydrophobicContact CG1-CD2 3.66Å; I616-F710 HydrophobicContact CG1-CE1 3.94Å; I616-F710 HydrophobicContact CG1-CE2 3.97Å; I616-F710 HydrophobicContact CG1-CG 3.47Å; I616-F710 VanDerWaalsContact CG1-CG 3.47Å; I616-F710 HydrophobicContact CG1-CZ 4.1Å; I706-F710 HydrophobicContact CG2-CD2 4.27Å; I706-F710 PolarHBondContact O-N 3.36Å; F710-T712 PolarHBondContact O-N 3.45Å; F710-T712 VanDerWaalsContact O-N 3.11Å; F710-V713 HydrophobicContact CB-CG2 4.45Å; F710-V713 HydrophobicContact CD1-CG2 4.32Å; F710-V713 WeakPolarHBondContact O-CB 3.49Å; F710-V713 PolarHBondContact O-N 3.32Å; F710-L723 HydrophobicContact CB-CD1 4.38Å; F710-L723 HydrophobicContact CB-CD2 4.1Å; F710-L723 HydrophobicContact CB-CG 4.37Å
711	G	89.6	Confident	90.8	Very high	15 Å²	15	78.6 Å²	78.6	16%	0.155	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-18.1	-171.8	0	0	0	0	0	115.6	R707 R721	R707-G711 WeakPolarHBondContact O-CA 3.42Å; R707-G711 PolarHBondContact O-N 3.12Å; G711-R721 WeakPolarHBondContact O-CD 3.42Å
712	T	90.6	Very high	90.8	Very high	126 Å²	126	78.4 Å²	78.4	77%	0.773	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.2	-6	175.7	56.7	0	0	0	0	113.4	F710 Q714	F710-T712 PolarHBondContact O-N 3.45Å; F710-T712 VanDerWaalsContact O-N 3.11Å; T712-Q714 PolarHBondContact O-N 2.89Å
713	V	91.7	Very high	91	Very high	32 Å²	32	77.3 Å²	77.3	19%	0.194	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-70.2	127.2	-179.9	-179.7	0	0	0	0	109.1	D612 F710 L722	D612-V713 HydrophobicContact CB-CG1 4.43Å; F710-V713 HydrophobicContact CB-CG2 4.45Å; F710-V713 HydrophobicContact CD1-CG2 4.32Å; F710-V713 WeakPolarHBondContact O-CB 3.49Å; F710-V713 PolarHBondContact O-N 3.32Å; V713-L722 HydrophobicContact CB-CB 4.42Å; V713-L722 HydrophobicContact CG1-CB 4.08Å; V713-L722 HydrophobicContact CG1-CD2 3.78Å; V713-L722 PolarHBondContact O-N 3.2Å
714	Q	93.3	Very high	91.1	Very high	109 Å²	109	78.5 Å²	78.5	51%	0.509	41%	0.406	S	S	.	.	B	Isolated β-bridge	trans	-101.4	152.4	178.6	-71.6	-179.1	-41	0	0	111.1	N609 T712 E719 E720	N609-Q714 PolarHBondContact ND2-O 3.35Å; T712-Q714 PolarHBondContact O-N 2.89Å; Q714-E719 PolarHBondContact NE2-O 3.48Å; Q714-E720 WeakPolarHBondContact CA-O 3.24Å
715	R	90.3	Very high	91.3	Very high	62 Å²	62	75.8 Å²	75.8	23%	0.234	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-67.8	144.3	176.7	-174.6	172.4	74.2	105.6	5.4	110.4	C608 N609 N717 S718 E720	C608-R715 HydrophobicContact CB-CG 3.76Å; N609-R715 VanDerWaalsContact OD1-CA 3.29Å; N609-R715 WeakPolarHBondContact OD1-CA 3.11Å; R715-N717 PolarHBondContact O-N 2.98Å; R715-S718 PolarHBondContact NH2-OG 3.29Å; R715-S718 PolarHBondContact O-N 2.95Å; R715-E720 IonicContact CZ-OE2 3.75Å; R715-E720 PolarHBondContact N-O 2.89Å; R715-E720 IonicContact NE-OE2 3.44Å; R715-E720 PolarHBondContact NE-OE2 3.4Å; R715-E720 IonicContact NH2-OE2 2.71Å
716	D	85.7	Confident	91.6	Very high	82 Å²	82	72.7 Å²	72.7	44%	0.439	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.7	123.7	177.9	-67.8	-37.5	0	0	0	111.5	N609 S718	N609-D716 WeakPolarHBondContact CA-OD2 3.3Å; N609-D716 PolarHBondContact N-OD2 3.29Å; N609-D716 PolarHBondContact ND2-OD1 3.3Å; N609-D716 PolarHBondContact OD1-N 2.87Å; N609-D716 PolarHBondContact OD1-OD1 3.46Å; D716-S718 PolarHBondContact O-N 3.01Å
717	N	86.2	Confident	91.7	Very high	178 Å²	178	76.6 Å²	76.6	95%	0.952	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	28	-179.9	-49.8	-60.9	0	0	0	114.9	R715	R715-N717 PolarHBondContact O-N 2.98Å
718	S	88.4	Confident	91.8	Very high	37 Å²	37	75.3 Å²	75.3	26%	0.259	37%	0.373	S	S	.	.	S	Bend	trans	-142.4	147.9	-179.2	-173	0	0	0	0	111.5	R715 D716 E720	R715-S718 PolarHBondContact NH2-OG 3.29Å; R715-S718 PolarHBondContact O-N 2.95Å; D716-S718 PolarHBondContact O-N 3.01Å; S718-E720 PolarHBondContact O-N 3.27Å; S718-E720 WeakPolarHBondContact OG-CB 3.49Å; S718-E720 PolarHBondContact OG-N 3.09Å
719	E	88.3	Confident	91.9	Very high	174 Å²	174	69.8 Å²	69.8	81%	0.813	35%	0.345	S	S	*	.	S	Bend	trans	-77.5	-9.3	172.4	-63.7	-171.3	166.5	0	0	112.9	Q714	Q714-E719 PolarHBondContact NE2-O 3.48Å
720	E	91.9	Very high	92	Very high	48 Å²	48	65.3 Å²	65.3	22%	0.224	32%	0.318	C	S	.	.	S	Bend	trans	-63.2	134.4	177.2	-173.5	-177	-173	0	0	111	Q714 R715 S718 Y725 R728	Q714-E720 WeakPolarHBondContact CA-O 3.24Å; R715-E720 IonicContact CZ-OE2 3.75Å; R715-E720 PolarHBondContact N-O 2.89Å; R715-E720 IonicContact NE-OE2 3.44Å; R715-E720 PolarHBondContact NE-OE2 3.4Å; R715-E720 IonicContact NH2-OE2 2.71Å; S718-E720 PolarHBondContact O-N 3.27Å; S718-E720 WeakPolarHBondContact OG-CB 3.49Å; S718-E720 PolarHBondContact OG-N 3.09Å; E720-Y725 PolarHBondContact OE1-N 2.8Å; E720-R728 IonicContact OE1-CZ 3.66Å; E720-R728 IonicContact OE1-NE 3.59Å; E720-R728 IonicContact OE1-NH2 2.81Å; E720-R728 PolarHBondContact OE1-NH2 3.01Å; E720-R728 IonicContact OE2-NH2 3.85Å; E720-R728 PolarHBondContact OE2-NH2 3.12Å
721	R	93.7	Very high	92.1	Very high	142 Å²	142	67.9 Å²	67.9	54%	0.536	33%	0.333	S	S	.	.	B	Isolated β-bridge	trans	-68.2	137	173.2	-65.7	-178.8	173.7	152.2	0.1	110.5	G711 L723 D724 Y725	G711-R721 WeakPolarHBondContact O-CD 3.42Å; R721-L723 VanDerWaalsContact C-N 3.27Å; R721-L723 PolarHBondContact O-N 3.34Å; R721-D724 HydrophobicContact CB-CB 4.41Å; R721-D724 WeakPolarHBondContact CB-OD2 3.34Å; R721-D724 PolarHBondContact O-N 3.08Å; R721-D724 VanDerWaalsContact O-N 3.07Å; R721-Y725 PolarHBondContact O-N 3.32Å
722	L	94	Very high	92.3	Very high	0 Å²	0	72 Å²	72	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-60.1	-37.3	-179	-176.9	61.2	0	0	0	112.2	C608 N609 D612 I616 V713 D724 Y725 I726	C608-L722 HydrophobicContact CB-CD1 4.43Å; N609-L722 HydrophobicContact CB-CD1 4.21Å; N609-L722 HydrophobicContact CB-CD2 3.77Å; D612-L722 HydrophobicContact CB-CD2 3.63Å; I616-L722 HydrophobicContact CD1-CD2 3.65Å; I616-L722 HydrophobicContact CD1-CG 4.16Å; V713-L722 HydrophobicContact CB-CB 4.42Å; V713-L722 HydrophobicContact CG1-CB 4.08Å; V713-L722 HydrophobicContact CG1-CD2 3.78Å; V713-L722 PolarHBondContact O-N 3.2Å; L722-D724 VanDerWaalsContact C-N 3.33Å; L722-D724 PolarHBondContact O-N 3.42Å; L722-Y725 HydrophobicContact CD1-CD1 4.33Å; L722-Y725 WeakPolarHBondContact O-CB 3.42Å; L722-Y725 PolarHBondContact O-N 3.21Å; L722-I726 HydrophobicContact CD1-CD1 4.36Å; L722-I726 HydrophobicContact CD1-CG1 4.43Å; L722-I726 HydrophobicContact CG-CD1 3.96Å; L722-I726 HydrophobicContact CG-CG1 4.45Å; L722-I726 WeakPolarHBondContact O-CG1 3.1Å; L722-I726 PolarHBondContact O-N 2.79Å
723	L	94.9	Very high	92.3	Very high	15 Å²	15	66.1 Å²	66.1	8%	0.079	31%	0.312	C	S	.	.	H	α-helix	trans	-64	-35.4	176.8	-63.7	-177.4	0	0	0	113.1	I616 L701 I706 F710 R721 I726 R727	I616-L723 HydrophobicContact CD1-CD2 3.95Å; I616-L723 HydrophobicContact CG1-CD2 4.32Å; I616-L723 HydrophobicContact CG2-CD2 3.84Å; L701-L723 HydrophobicContact CD2-CD2 4.13Å; I706-L723 HydrophobicContact CG2-CD1 4.26Å; I706-L723 HydrophobicContact CG2-CD2 3.79Å; F710-L723 HydrophobicContact CB-CD1 4.38Å; F710-L723 HydrophobicContact CB-CD2 4.1Å; F710-L723 HydrophobicContact CB-CG 4.37Å; R721-L723 VanDerWaalsContact C-N 3.27Å; R721-L723 PolarHBondContact O-N 3.34Å; L723-I726 PolarHBondContact O-N 3.21Å; L723-R727 WeakPolarHBondContact O-CB 3.32Å; L723-R727 PolarHBondContact O-N 3.02Å
724	D	94.2	Very high	92.2	Very high	71 Å²	71	68 Å²	68	38%	0.38	32%	0.319	S	S	.	.	H	α-helix	trans	-70.7	-37.5	178.3	-65.9	-33.6	0	0	0	110.6	R721 L722 R728	R721-D724 HydrophobicContact CB-CB 4.41Å; R721-D724 WeakPolarHBondContact CB-OD2 3.34Å; R721-D724 PolarHBondContact O-N 3.08Å; R721-D724 VanDerWaalsContact O-N 3.07Å; L722-D724 VanDerWaalsContact C-N 3.33Å; L722-D724 PolarHBondContact O-N 3.42Å; D724-R728 PolarHBondContact O-N 3.45Å; D724-R728 VanDerWaalsContact O-N 3.14Å
725	Y	93.9	Very high	92.1	Very high	30 Å²	30	66.9 Å²	66.9	12%	0.118	32%	0.323	C	S	.	.	H	α-helix	trans	-62.5	-50.4	171.2	173.2	-101.7	0	0	0	112	C599 C608 E720 R721 L722 R727 R728 A729	C599-Y725 HydrophobicContact CB-CE1 4.41Å; C599-Y725 PolarHBondContact O-OH 2.56Å; C599-Y725 VanDerWaalsContact O-OH 3.07Å; C608-Y725 HydrophobicContact CB-CD1 4.41Å; C608-Y725 HydrophobicContact CB-CE1 4.08Å; E720-Y725 PolarHBondContact OE1-N 2.8Å; R721-Y725 PolarHBondContact O-N 3.32Å; L722-Y725 HydrophobicContact CD1-CD1 4.33Å; L722-Y725 WeakPolarHBondContact O-CB 3.42Å; L722-Y725 PolarHBondContact O-N 3.21Å; Y725-R727 VanDerWaalsContact C-N 3.34Å; Y725-R727 PolarHBondContact O-N 3.04Å; Y725-R728 PolarHBondContact O-N 2.86Å; Y725-A729 WeakPolarHBondContact O-CB 3.29Å; Y725-A729 PolarHBondContact O-N 2.86Å
726	I	94.9	Very high	92.2	Very high	0 Å²	0	67.3 Å²	67.3	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-60.2	-45	179.2	-67.8	170.3	0	0	0	110.2	T613 I616 I617 L701 L722 L723 R728 A729 L730	T613-I726 HydrophobicContact CG2-CD1 4.36Å; I616-I726 HydrophobicContact CB-CD1 4.11Å; I616-I726 HydrophobicContact CD1-CD1 3.82Å; I616-I726 HydrophobicContact CG2-CD1 3.78Å; I617-I726 HydrophobicContact CD1-CG2 3.86Å; L701-I726 HydrophobicContact CD1-CB 4.46Å; L701-I726 HydrophobicContact CD1-CG2 4.02Å; L701-I726 HydrophobicContact CD2-CG2 4.26Å; L722-I726 HydrophobicContact CD1-CD1 4.36Å; L722-I726 HydrophobicContact CD1-CG1 4.43Å; L722-I726 HydrophobicContact CG-CD1 3.96Å; L722-I726 HydrophobicContact CG-CG1 4.45Å; L722-I726 WeakPolarHBondContact O-CG1 3.1Å; L722-I726 PolarHBondContact O-N 2.79Å; L723-I726 PolarHBondContact O-N 3.21Å; I726-R728 VanDerWaalsContact C-N 3.34Å; I726-R728 PolarHBondContact O-N 2.99Å; I726-A729 PolarHBondContact O-N 2.86Å; I726-A729 VanDerWaalsContact O-N 3.17Å; I726-L730 HydrophobicContact CG2-CD1 3.92Å; I726-L730 HydrophobicContact CG2-CG 4.16Å; I726-L730 VanDerWaalsContact O-CG 3.3Å; I726-L730 WeakPolarHBondContact O-CG 3.37Å; I726-L730 PolarHBondContact O-N 2.96Å
727	R	95.2	Very high	92.5	Very high	84 Å²	84	64.3 Å²	64.3	32%	0.317	31%	0.313	S	S	.	.	H	α-helix	trans	-53.2	-51.7	176.1	177.3	173.6	-73.2	153	-2.3	111.4	S698 L701 L723 Y725 A729 L730 D731	S698-R727 PolarHBondContact O-NE 2.9Å; S698-R727 PolarHBondContact O-NH2 2.84Å; S698-R727 PolarHBondContact OG-O 3.42Å; L701-R727 HydrophobicContact CD1-CB 3.71Å; L723-R727 WeakPolarHBondContact O-CB 3.32Å; L723-R727 PolarHBondContact O-N 3.02Å; Y725-R727 VanDerWaalsContact C-N 3.34Å; Y725-R727 PolarHBondContact O-N 3.04Å; R727-A729 VanDerWaalsContact C-N 3.34Å; R727-A729 PolarHBondContact O-N 2.83Å; R727-L730 PolarHBondContact O-N 3.42Å; R727-D731 VanDerWaalsContact O-CG 3.27Å; R727-D731 PolarHBondContact O-N 3.33Å
728	R	93.8	Very high	92.8	Very high	135 Å²	135	57.4 Å²	57.4	51%	0.509	28%	0.278	S	S	.	.	H	α-helix	trans	-63.3	-38.3	178.9	177.5	168.3	45.1	127.8	0.6	112.7	E720 D724 Y725 I726 Q732	E720-R728 IonicContact OE1-CZ 3.66Å; E720-R728 IonicContact OE1-NE 3.59Å; E720-R728 IonicContact OE1-NH2 2.81Å; E720-R728 PolarHBondContact OE1-NH2 3.01Å; E720-R728 IonicContact OE2-NH2 3.85Å; E720-R728 PolarHBondContact OE2-NH2 3.12Å; D724-R728 PolarHBondContact O-N 3.45Å; D724-R728 VanDerWaalsContact O-N 3.14Å; Y725-R728 PolarHBondContact O-N 2.86Å; I726-R728 VanDerWaalsContact C-N 3.34Å; I726-R728 PolarHBondContact O-N 2.99Å; R728-Q732 VanDerWaalsContact O-CB 3.29Å; R728-Q732 WeakPolarHBondContact O-CB 3.46Å; R728-Q732 PolarHBondContact O-N 3.31Å
729	A	94.2	Very high	92.9	Very high	13 Å²	13	55.7 Å²	55.7	11%	0.107	27%	0.266	C	S	.	.	H	α-helix	trans	-65.4	-39.4	176.6	0	0	0	0	0	112.2	Y725 I726 R727 G733	Y725-A729 WeakPolarHBondContact O-CB 3.29Å; Y725-A729 PolarHBondContact O-N 2.86Å; I726-A729 PolarHBondContact O-N 2.86Å; I726-A729 VanDerWaalsContact O-N 3.17Å; R727-A729 VanDerWaalsContact C-N 3.34Å; R727-A729 PolarHBondContact O-N 2.83Å; A729-G733 PolarHBondContact O-N 3.44Å
730	L	94.9	Very high	93.1	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-69.5	-43	175.5	-65.8	179.3	0	0	0	112	L595 L598 L620 L694 M697 S698 L701 I726 R727 Q732 G733 H734	L595-L730 HydrophobicContact CD2-CD2 3.75Å; L598-L730 HydrophobicContact CD1-CD2 4.35Å; L620-L730 HydrophobicContact CD2-CD1 3.77Å; L694-L730 HydrophobicContact CD1-CD2 4.49Å; M697-L730 HydrophobicContact CB-CD1 3.99Å; S698-L730 WeakPolarHBondContact OG-CB 3.24Å; L701-L730 HydrophobicContact CD1-CD1 4.24Å; I726-L730 HydrophobicContact CG2-CD1 3.92Å; I726-L730 HydrophobicContact CG2-CG 4.16Å; I726-L730 VanDerWaalsContact O-CG 3.3Å; I726-L730 WeakPolarHBondContact O-CG 3.37Å; I726-L730 PolarHBondContact O-N 2.96Å; R727-L730 PolarHBondContact O-N 3.42Å; L730-Q732 VanDerWaalsContact C-N 3.33Å; L730-Q732 PolarHBondContact O-N 2.65Å; L730-G733 PolarHBondContact O-N 3.05Å; L730-H734 WeakPolarHBondContact O-CB 3.41Å; L730-H734 PolarHBondContact O-N 3.27Å
731	D	94.1	Very high	93	Very high	73 Å²	73	45.5 Å²	45.5	39%	0.39	22%	0.219	S	C	.	.	H	α-helix	trans	-61.6	-42	175.1	-68.9	-24.8	0	0	0	111.4	S698 R727 H734 S735	S698-D731 WeakPolarHBondContact CB-OD1 3.37Å; S698-D731 PolarHBondContact OG-OD1 2.98Å; R727-D731 VanDerWaalsContact O-CG 3.27Å; R727-D731 PolarHBondContact O-N 3.33Å; D731-H734 WeakPolarHBondContact O-CB 3.46Å; D731-H734 PolarHBondContact O-N 2.91Å; D731-S735 PolarHBondContact O-N 3.44Å; D731-S735 VanDerWaalsContact O-N 3.14Å
732	Q	93.3	Very high	92.8	Very high	100 Å²	100	39.9 Å²	39.9	47%	0.467	21%	0.205	S	C	.	.	H	α-helix	trans	-65.4	-44.4	174.4	-171.7	63.4	53.5	0	0	111.2	R728 L730 H734 S735 D736	R728-Q732 VanDerWaalsContact O-CB 3.29Å; R728-Q732 WeakPolarHBondContact O-CB 3.46Å; R728-Q732 PolarHBondContact O-N 3.31Å; L730-Q732 VanDerWaalsContact C-N 3.33Å; L730-Q732 PolarHBondContact O-N 2.65Å; Q732-H734 VanDerWaalsContact C-N 3.29Å; Q732-H734 PolarHBondContact O-N 3.28Å; Q732-S735 PolarHBondContact O-N 3.07Å; Q732-S735 VanDerWaalsContact O-N 3.12Å; Q732-D736 WeakPolarHBondContact CG-OD2 3.32Å; Q732-D736 PolarHBondContact NE2-OD1 2.84Å; Q732-D736 PolarHBondContact NE2-OD2 2.83Å; Q732-D736 WeakPolarHBondContact O-CB 3.4Å; Q732-D736 PolarHBondContact O-N 2.94Å
733	G	91.3	Very high	92.7	Very high	3 Å²	3	41 Å²	41	3%	0.031	21%	0.213	C	C	.	.	H	α-helix	trans	-59.6	-39.6	175.8	0	0	0	0	0	112.5	A729 L730 S735 D736 Y737	A729-G733 PolarHBondContact O-N 3.44Å; L730-G733 PolarHBondContact O-N 3.05Å; G733-S735 VanDerWaalsContact C-N 3.33Å; G733-S735 PolarHBondContact O-N 3.02Å; G733-D736 PolarHBondContact O-N 2.78Å; G733-Y737 WeakPolarHBondContact O-CB 3.49Å; G733-Y737 VanDerWaalsContact O-CD2 3.29Å; G733-Y737 WeakPolarHBondContact O-CD2 3.44Å; G733-Y737 PolarHBondContact O-N 2.88Å
734	H	89.8	Confident	92.6	Very high	73 Å²	73	40.3 Å²	40.3	34%	0.338	21%	0.209	S	C	.	.	H	α-helix	trans	-58.3	-45.9	173.4	170.6	56.4	0	0	0	111.9	L694 L730 D731 Q732 S741	L694-H734 HydrophobicContact CD2-CB 4.44Å; L694-H734 HydrophobicContact CG-CB 4.35Å; L730-H734 WeakPolarHBondContact O-CB 3.41Å; L730-H734 PolarHBondContact O-N 3.27Å; D731-H734 WeakPolarHBondContact O-CB 3.46Å; D731-H734 PolarHBondContact O-N 2.91Å; Q732-H734 VanDerWaalsContact C-N 3.29Å; Q732-H734 PolarHBondContact O-N 3.28Å; H734-S741 WeakPolarHBondContact CA-OG 3.27Å; H734-S741 WeakPolarHBondContact ND1-CB 3.28Å; H734-S741 PolarHBondContact ND1-OG 2.98Å; H734-S741 PolarHBondContact O-OG 3.47Å
735	S	91.4	Very high	92.4	Very high	85 Å²	85	44.4 Å²	44.4	59%	0.594	22%	0.219	S	C	*	.	H	α-helix	trans	-70	-38.4	178.6	-173.9	0	0	0	0	113.3	D731 Q732 G733	D731-S735 PolarHBondContact O-N 3.44Å; D731-S735 VanDerWaalsContact O-N 3.14Å; Q732-S735 PolarHBondContact O-N 3.07Å; Q732-S735 VanDerWaalsContact O-N 3.12Å; G733-S735 VanDerWaalsContact C-N 3.33Å; G733-S735 PolarHBondContact O-N 3.02Å
736	D	92.1	Very high	91.9	Very high	70 Å²	70	45.4 Å²	45.4	37%	0.374	22%	0.224	S	C	.	.	H	α-helix	trans	-80.3	-25.9	-174.8	-74	-11	0	0	0	112.8	N565 Q732 G733 P738	N565-D736 PolarHBondContact ND2-O 3.06Å; Q732-D736 WeakPolarHBondContact CG-OD2 3.32Å; Q732-D736 PolarHBondContact NE2-OD1 2.84Å; Q732-D736 PolarHBondContact NE2-OD2 2.83Å; Q732-D736 WeakPolarHBondContact O-CB 3.4Å; Q732-D736 PolarHBondContact O-N 2.94Å; G733-D736 PolarHBondContact O-N 2.78Å; D736-P738 WeakPolarHBondContact O-CD 3.14Å
737	Y	93.1	Very high	91.1	Very high	19 Å²	19	48.5 Å²	48.5	8%	0.075	24%	0.239	C	C	.	.			trans	-123.8	60.7	-176	-54.4	-74.4	0	0	0	112.8	N565 L598 G733 M739 M740 S741 R773 I776 M777	N565-Y737 WeakPolarHBondContact OD1-CA 3.37Å; L598-Y737 HydrophobicContact CD2-CD2 3.7Å; L598-Y737 HydrophobicContact CD2-CE2 3.47Å; L598-Y737 VanDerWaalsContact CD2-CE2 3.47Å; G733-Y737 WeakPolarHBondContact O-CB 3.49Å; G733-Y737 VanDerWaalsContact O-CD2 3.29Å; G733-Y737 WeakPolarHBondContact O-CD2 3.44Å; G733-Y737 PolarHBondContact O-N 2.88Å; Y737-M739 PolarHBondContact O-N 2.82Å; Y737-M740 HydrophobicContact CD1-CE 4.09Å; Y737-M740 HydrophobicContact CG-CE 3.93Å; Y737-M740 PolarHBondContact O-N 3.23Å; Y737-S741 PolarHBondContact O-N 2.92Å; Y737-S741 PolarHBondContact O-OG 3.06Å; Y737-R773 HydrophobicContact CE1-CG 4.07Å; Y737-I776 HydrophobicContact CE2-CD1 4.36Å; Y737-M777 HydrophobicContact CD1-CE 3.5Å; Y737-M777 HydrophobicContact CE1-CE 3.59Å
738	P	91.5	Very high	90.5	Very high	34 Å²	34	46.6 Å²	46.6	22%	0.221	24%	0.235	C	C	.	.	H	α-helix	trans	-51.7	-33.5	178.1	19.9	-33.8	0	0	0	113.4	N565 P567 T570 D736 M740 S741	N565-P738 VanDerWaalsContact OD1-CD 3.3Å; N565-P738 WeakPolarHBondContact OD1-CD 3.5Å; P567-P738 HydrophobicContact CG-CB 3.94Å; T570-P738 PolarHBondContact OG1-O 3.12Å; D736-P738 WeakPolarHBondContact O-CD 3.14Å; P738-M740 PolarHBondContact O-N 3.38Å; P738-M740 VanDerWaalsContact O-N 3.1Å; P738-S741 PolarHBondContact O-N 3.35Å; P738-S741 VanDerWaalsContact O-N 3.12Å
739	M	91.5	Very high	90	Very high	1 Å²	1	42 Å²	42	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-61.8	-14	178.2	67	178.6	-64.6	0	0	115.5	L563 N565 T570 R571 Y737 V762 M777 L780	L563-M739 HydrophobicContact CD1-CE 3.43Å; L563-M739 VanDerWaalsContact CD1-CE 3.43Å; L563-M739 HydrophobicContact CD2-CE 3.71Å; L563-M739 HydrophobicContact CG-CE 3.37Å; N565-M739 HydrophobicContact CB-SD 4.21Å; N565-M739 VanDerWaalsContact OD1-CG 3.24Å; N565-M739 WeakPolarHBondContact OD1-CG 3.38Å; T570-M739 CarbonylContact C-O 3.58Å; T570-M739 WeakPolarHBondContact CA-O 3.4Å; R571-M739 PolarHBondContact N-O 3.17Å; Y737-M739 PolarHBondContact O-N 2.82Å; M739-V762 HydrophobicContact SD-CG1 4.08Å; M739-M777 HydrophobicContact CE-SD 4.44Å; M739-M777 HydrophobicContact SD-CE 4.29Å; M739-M777 HydrophobicContact SD-SD 3.76Å; M739-L780 HydrophobicContact CE-CD2 3.57Å; M739-L780 HydrophobicContact SD-CD2 4.39Å
740	M	91.3	Very high	89.3	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-121.2	4.8	175.1	72	179.9	79.7	0	0	113.6	R571 L573 V594 L694 Y737 P738 I776 M777 L780	R571-M740 VanDerWaalsContact O-CA 3.31Å; R571-M740 WeakPolarHBondContact O-CA 3.36Å; L573-M740 HydrophobicContact CB-CB 4.49Å; L573-M740 PolarHBondContact N-O 3.22Å; V594-M740 HydrophobicContact CG1-SD 4.2Å; L694-M740 HydrophobicContact CD2-CG 4.34Å; Y737-M740 HydrophobicContact CD1-CE 4.09Å; Y737-M740 HydrophobicContact CG-CE 3.93Å; Y737-M740 PolarHBondContact O-N 3.23Å; P738-M740 PolarHBondContact O-N 3.38Å; P738-M740 VanDerWaalsContact O-N 3.1Å; M740-I776 HydrophobicContact CE-CG2 4.04Å; M740-M777 HydrophobicContact CE-CE 3.67Å; M740-L780 HydrophobicContact CE-CD2 3.82Å
741	S	89.2	Confident	88.9	Confident	7 Å²	7	50.1 Å²	50.1	5%	0.049	27%	0.269	C	S	.	.	H	α-helix	trans	-93.5	-22.1	-170.5	-81.6	0	0	0	0	114.5	H734 Y737 P738	H734-S741 WeakPolarHBondContact CA-OG 3.27Å; H734-S741 WeakPolarHBondContact ND1-CB 3.28Å; H734-S741 PolarHBondContact ND1-OG 2.98Å; H734-S741 PolarHBondContact O-OG 3.47Å; Y737-S741 PolarHBondContact O-N 2.92Å; Y737-S741 PolarHBondContact O-OG 3.06Å; P738-S741 PolarHBondContact O-N 3.35Å; P738-S741 VanDerWaalsContact O-N 3.12Å
742	G	90.3	Very high	88.9	Confident	24 Å²	24	46.9 Å²	46.9	25%	0.247	25%	0.252	C	S	.	.	S	Bend	trans	-111.4	-173.5	-178.7	0	0	0	0	0	113.6	T570 N572 L693	T570-G742 VanDerWaalsContact CG2-C 3.42Å; T570-G742 WeakPolarHBondContact CG2-O 3.23Å; N572-G742 WeakPolarHBondContact CA-O 3.26Å; N572-G742 VanDerWaalsContact CB-O 3.26Å; N572-G742 WeakPolarHBondContact CB-O 3.44Å; L693-G742 VanDerWaalsContact CD2-C 3.45Å
743	C	92.1	Very high	88.8	Confident	25 Å²	25	42.8 Å²	42.8	17%	0.169	23%	0.232	C	C	.	.			trans	-67.1	146.3	174.1	-58.4	0	0	0	0	111.2	T570 Q689 R745	T570-C743 WeakPolarHBondContact CG2-O 3.41Å; Q689-C743 PolarHBondContact OE1-SG 3.37Å; C743-R745 PolarHBondContact O-N 2.8Å
744	T	93.2	Very high	89	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.232	C	C	.	.			trans	-58.3	128.3	178.3	-74.4	0	0	0	0	112.3	T570 R571 N572 D575 R685 Y688 F746	T570-T744 CarbonylContact O-C 3.5Å; T570-T744 WeakPolarHBondContact O-CA 3.47Å; R571-T744 VanDerWaalsContact NH1-CG2 3.28Å; R571-T744 PolarHBondContact NH1-OG1 2.85Å; N572-T744 PolarHBondContact N-OG1 2.83Å; D575-T744 WeakPolarHBondContact OD2-CB 3.34Å; D575-T744 PolarHBondContact OD2-OG1 2.8Å; R685-T744 PolarHBondContact NH1-O 2.65Å; R685-T744 PolarHBondContact NH2-O 3.37Å; Y688-T744 HydrophobicContact CD2-CG2 3.82Å; Y688-T744 HydrophobicContact CE2-CG2 3.85Å; Y688-T744 HydrophobicContact CG-CG2 4.29Å; T744-F746 WeakPolarHBondContact CG2-O 3.18Å
745	R	88.4	Confident	89.2	Confident	157 Å²	157	39.6 Å²	39.6	59%	0.592	22%	0.217	S	C	*	.			trans	-101.3	-34.7	-179.4	-69.9	-75.9	-179.9	171.1	-1.4	113	D568 T570 R685 C743	D568-R745 WeakPolarHBondContact O-CB 3.46Å; T570-R745 PolarHBondContact O-N 2.8Å; R685-R745 PolarHBondContact NH1-O 3.24Å; C743-R745 PolarHBondContact O-N 2.8Å
746	F	83.5	Confident	89.4	Confident	51 Å²	51	35.6 Å²	35.6	22%	0.224	19%	0.19	C	C	.	.			trans	-116.9	149.6	178.5	73.6	-86.2	0	0	0	111.8	I561 H569 R571 T744 I784	I561-F746 HydrophobicContact CD1-CE2 3.97Å; H569-F746 WeakPolarHBondContact O-CE1 3.38Å; R571-F746 HydrophobicContact CB-CE1 4.04Å; R571-F746 HydrophobicContact CB-CZ 4.16Å; T744-F746 WeakPolarHBondContact CG2-O 3.18Å; F746-I784 HydrophobicContact CZ-CD1 4.48Å
747	M	78.4	Confident	89.4	Confident	64 Å²	64	32.2 Å²	32.2	32%	0.315	17%	0.172	S	C	.	.			trans	-133.2	138.5	-176.1	-173.4	173.3	76.2	0	0	110.5	Q684 Y688	Q684-M747 HydrophobicContact CB-SD 3.72Å; Q684-M747 HydrophobicContact CG-SD 4.35Å; Q684-M747 PolarHBondContact OE1-SD 3.24Å; Y688-M747 HydrophobicContact CE2-CG 4.29Å; Y688-M747 HydrophobicContact CE2-SD 3.97Å
748	L	83.9	Confident	89.4	Confident	45 Å²	45	31.4 Å²	31.4	24%	0.236	17%	0.168	C	C	.	.			trans	-80.3	139.6	169	-69.7	177.6	0	0	0	109.4	V559 I561 T752 V755 I784	V559-L748 HydrophobicContact CB-CD2 4.08Å; V559-L748 HydrophobicContact CG1-CD2 3.85Å; V559-L748 HydrophobicContact CG2-CD2 4.32Å; I561-L748 HydrophobicContact CD1-CD2 4.03Å; L748-T752 HydrophobicContact CD2-CG2 4.33Å; L748-V755 HydrophobicContact CD1-CG1 4.29Å; L748-V755 HydrophobicContact CD1-CG2 3.87Å; L748-I784 HydrophobicContact CD1-CG2 4.46Å
749	S	83.2	Confident	89.5	Confident	38 Å²	38	29.8 Å²	29.8	27%	0.266	16%	0.158	S	C	.	.			trans	-60.1	144	173.5	175	0	0	0	0	109.7	D751 T752	S749-D751 PolarHBondContact O-N 3.47Å; S749-D751 VanDerWaalsContact O-N 3.12Å; S749-D751 PolarHBondContact OG-N 3.11Å; S749-T752 WeakPolarHBondContact CB-OG1 3.16Å; S749-T752 PolarHBondContact N-OG1 2.96Å; S749-T752 VanDerWaalsContact O-CB 3.26Å; S749-T752 WeakPolarHBondContact O-CB 3.39Å; S749-T752 PolarHBondContact O-N 2.91Å; S749-T752 PolarHBondContact O-OG1 2.99Å
750	P	79.9	Confident	89.4	Confident	71 Å²	71	33.4 Å²	33.4	46%	0.461	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-26.1	168.9	-25.4	35.1	0	0	0	113.2	T752 R813	P750-T752 VanDerWaalsContact C-N 3.33Å; P750-R813 PolarHBondContact O-NH1 2.89Å
751	D	86.5	Confident	89.4	Confident	112 Å²	112	37.9 Å²	37.9	60%	0.599	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-6.3	177.5	-61.4	-43.4	0	0	0	113	S749 R753	S749-D751 PolarHBondContact O-N 3.47Å; S749-D751 VanDerWaalsContact O-N 3.12Å; S749-D751 PolarHBondContact OG-N 3.11Å; D751-R753 WeakPolarHBondContact O-CG 3.38Å; D751-R753 PolarHBondContact O-N 2.91Å
752	T	92.1	Very high	89.5	Confident	6 Å²	6	37.6 Å²	37.6	4%	0.037	20%	0.199	C	C	.	.			trans	-64.5	130.5	176.7	-57.1	0	0	0	0	110.8	D556 V559 L748 S749 P750 V755 R813	D556-T752 WeakPolarHBondContact O-CA 3.4Å; D556-T752 WeakPolarHBondContact O-CB 3.3Å; D556-T752 PolarHBondContact O-OG1 3.28Å; V559-T752 HydrophobicContact CB-CG2 4.17Å; V559-T752 HydrophobicContact CG2-CG2 3.84Å; L748-T752 HydrophobicContact CD2-CG2 4.33Å; S749-T752 WeakPolarHBondContact CB-OG1 3.16Å; S749-T752 PolarHBondContact N-OG1 2.96Å; S749-T752 VanDerWaalsContact O-CB 3.26Å; S749-T752 WeakPolarHBondContact O-CB 3.39Å; S749-T752 PolarHBondContact O-N 2.91Å; S749-T752 PolarHBondContact O-OG1 2.99Å; P750-T752 VanDerWaalsContact C-N 3.33Å; T752-V755 HydrophobicContact CG2-CG2 3.51Å; T752-R813 PolarHBondContact O-NH1 3.17Å; T752-R813 PolarHBondContact O-NH2 3.44Å
753	R	93.3	Very high	89.4	Confident	13 Å²	13	37.5 Å²	37.5	5%	0.049	20%	0.196	C	C	.	.			trans	-125.5	-34.9	-176.2	-46.1	-167.8	56.9	99.3	-5.5	112.1	L527 F529 I530 E557 D751 E820	L527-R753 HydrophobicContact CB-CB 4.09Å; L527-R753 VanDerWaalsContact O-CZ 3.23Å; L527-R753 PolarHBondContact O-NE 3.32Å; L527-R753 PolarHBondContact O-NH2 2.9Å; F529-R753 CarbonylContact C-O 3.5Å; F529-R753 VanDerWaalsContact CA-O 3.29Å; F529-R753 WeakPolarHBondContact CA-O 3.39Å; F529-R753 HydrophobicContact CD1-CB 4.08Å; F529-R753 HydrophobicContact CE1-CB 4.13Å; F529-R753 HydrophobicContact CE1-CG 4.08Å; F529-R753 VanDerWaalsContact CE2-NH2 3.26Å; I530-R753 PolarHBondContact N-O 3.43Å; E557-R753 PolarHBondContact O-N 3.33Å; D751-R753 WeakPolarHBondContact O-CG 3.38Å; D751-R753 PolarHBondContact O-N 2.91Å; R753-E820 IonicContact CZ-OE1 2.91Å; R753-E820 IonicContact CZ-OE2 2.7Å; R753-E820 IonicContact NH2-OE1 3.78Å; R753-E820 PolarHBondContact NH2-OE1 3.03Å; R753-E820 IonicContact NH2-OE2 3.18Å; R753-E820 PolarHBondContact NH2-OE2 3.45Å
754	V	94.6	Very high	89.3	Confident	3 Å²	3	37 Å²	37	2%	0.018	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	120.5	175.8	-177.7	0	0	0	0	109.3	L527 I530 V543 I546 E557 A558 V559	L527-V754 HydrophobicContact CD1-CG2 4.44Å; I530-V754 HydrophobicContact CB-CG1 4.23Å; I530-V754 HydrophobicContact CB-CG2 4.27Å; I530-V754 HydrophobicContact CG1-CG2 4.5Å; I530-V754 CarbonylContact O-C 3.5Å; I530-V754 WeakPolarHBondContact O-CA 3.45Å; V543-V754 HydrophobicContact CG2-CG1 4.26Å; I546-V754 HydrophobicContact CD1-CG1 3.91Å; I546-V754 HydrophobicContact CD1-CG2 4.39Å; E557-V754 PolarHBondContact O-N 2.89Å; A558-V754 CarbonylContact C-O 3.57Å; A558-V754 WeakPolarHBondContact CA-O 3.16Å; A558-V754 HydrophobicContact CB-CB 4.12Å; V559-V754 PolarHBondContact N-O 3.11Å
755	V	94.8	Very high	89	Confident	6 Å²	6	41.8 Å²	41.8	4%	0.036	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	122.1	178.1	-174.1	0	0	0	0	109.1	I530 Y532 V559 I561 L748 T752 V757 A785	I530-V755 PolarHBondContact O-N 3.4Å; Y532-V755 PolarHBondContact N-O 2.62Å; V559-V755 WeakPolarHBondContact O-CA 3.25Å; I561-V755 HydrophobicContact CD1-CG1 4.02Å; L748-V755 HydrophobicContact CD1-CG1 4.29Å; L748-V755 HydrophobicContact CD1-CG2 3.87Å; T752-V755 HydrophobicContact CG2-CG2 3.51Å; V755-V757 HydrophobicContact CG1-CG2 3.96Å; V755-A785 HydrophobicContact CB-CB 3.96Å; V755-A785 HydrophobicContact CG1-CB 3.84Å
756	A	93.7	Very high	88.9	Confident	1 Å²	1	43 Å²	43	1%	0.008	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	123	168.8	0	0	0	0	0	110.2	Y532 A539 Q540 V543 V559 G560 I561	Y532-A756 CarbonylContact O-C 3.5Å; Y532-A756 VanDerWaalsContact O-CA 3.29Å; Y532-A756 WeakPolarHBondContact O-CA 3.48Å; A539-A756 HydrophobicContact CB-CB 3.64Å; Q540-A756 PolarHBondContact NE2-O 2.86Å; V543-A756 HydrophobicContact CG2-CB 3.44Å; V543-A756 VanDerWaalsContact CG2-CB 3.44Å; V559-A756 PolarHBondContact O-N 2.96Å; G560-A756 CarbonylContact C-O 3.49Å; G560-A756 WeakPolarHBondContact CA-O 3.03Å; I561-A756 PolarHBondContact N-O 2.82Å
757	V	93.9	Very high	89.1	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	118.2	177.7	-171.8	0	0	0	0	109.1	Y532 D534 I561 L563 V755 L759 A781 A785	Y532-V757 PolarHBondContact O-N 2.82Å; D534-V757 PolarHBondContact N-O 2.76Å; I561-V757 HydrophobicContact CB-CG2 4.4Å; I561-V757 HydrophobicContact CD1-CG2 4.37Å; I561-V757 CarbonylContact O-C 3.58Å; I561-V757 WeakPolarHBondContact O-CA 3.36Å; L563-V757 HydrophobicContact CB-CG1 4.02Å; L563-V757 HydrophobicContact CD2-CG1 4.13Å; L563-V757 HydrophobicContact CG-CG1 4.49Å; V755-V757 HydrophobicContact CG1-CG2 3.96Å; V757-L759 HydrophobicContact CG1-CD2 4.29Å; V757-A781 HydrophobicContact CB-CB 4.01Å; V757-A781 HydrophobicContact CG1-CB 3.69Å; V757-A781 HydrophobicContact CG2-CB 4.46Å; V757-A785 HydrophobicContact CG2-CB 3.94Å
758	D	92.4	Very high	89.5	Confident	1 Å²	1	44.1 Å²	44.1	1%	0.005	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	125.3	173.3	179.6	8.8	0	0	0	110.6	D534 G536 F537 I561 L563 N760	D534-D758 CarbonylContact O-C 3.57Å; D534-D758 WeakPolarHBondContact O-CA 3.45Å; G536-D758 PolarHBondContact N-OD1 3.04Å; F537-D758 WeakPolarHBondContact CE1-OD2 3.12Å; I561-D758 PolarHBondContact O-N 2.67Å; L563-D758 VanDerWaalsContact CB-O 3.26Å; L563-D758 WeakPolarHBondContact CB-O 3.4Å; L563-D758 PolarHBondContact N-O 3.12Å; D758-N760 WeakPolarHBondContact OD1-CB 3.23Å; D758-N760 PolarHBondContact OD1-N 2.95Å
759	L	92.5	Very high	89.6	Confident	1 Å²	1	44.4 Å²	44.4	1%	0.005	26%	0.256	C	S	.	.			trans	-96	-0.5	-179.3	-61.8	-174.5	0	0	0	114.2	I533 D534 L563 V757 N761 V762 A763 M777 Y778 A781	I533-L759 HydrophobicContact CG2-CD1 3.64Å; I533-L759 HydrophobicContact CG2-CG 4.01Å; D534-L759 WeakPolarHBondContact O-CB 2.88Å; D534-L759 PolarHBondContact O-N 2.7Å; L563-L759 HydrophobicContact CB-CD2 4.42Å; L563-L759 HydrophobicContact CD2-CD2 3.63Å; V757-L759 HydrophobicContact CG1-CD2 4.29Å; L759-N761 PolarHBondContact O-N 2.95Å; L759-N761 VanDerWaalsContact O-N 3.14Å; L759-V762 HydrophobicContact CB-CG2 4.17Å; L759-V762 HydrophobicContact CD2-CG2 3.96Å; L759-V762 VanDerWaalsContact O-CG2 3.29Å; L759-V762 WeakPolarHBondContact O-CG2 3.22Å; L759-V762 PolarHBondContact O-N 3.41Å; L759-A763 WeakPolarHBondContact O-CB 3.45Å; L759-A763 PolarHBondContact O-N 3.27Å; L759-M777 HydrophobicContact CD1-CB 4.44Å; L759-M777 HydrophobicContact CD2-CB 4.16Å; L759-Y778 HydrophobicContact CD1-CD1 3.48Å; L759-Y778 VanDerWaalsContact CD1-CD1 3.48Å; L759-Y778 HydrophobicContact CD1-CD2 4.28Å; L759-Y778 HydrophobicContact CD1-CE1 3.56Å; L759-Y778 HydrophobicContact CD1-CE2 4.36Å; L759-Y778 HydrophobicContact CD1-CG 3.84Å; L759-A781 HydrophobicContact CD2-CB 3.73Å
760	N	90.3	Very high	89.9	Confident	77 Å²	77	42.9 Å²	42.9	41%	0.412	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-36.5	-170.2	-173.1	70.1	0	0	0	113.5	D758 V762	D758-N760 WeakPolarHBondContact OD1-CB 3.23Å; D758-N760 PolarHBondContact OD1-N 2.95Å; N760-V762 VanDerWaalsContact C-N 3.34Å
761	N	90.8	Very high	90.4	Very high	94 Å²	94	44 Å²	44	50%	0.503	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-6	-178.1	-62.5	-13.4	0	0	0	114	I562 L563 L759	I562-N761 WeakPolarHBondContact CG2-ND2 3.36Å; L563-N761 WeakPolarHBondContact O-CB 3.47Å; L759-N761 PolarHBondContact O-N 2.95Å; L759-N761 VanDerWaalsContact O-N 3.14Å
762	V	91.4	Very high	90.5	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.006	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.3	-16.3	-176.6	-65.5	0	0	0	0	114.1	L563 S564 N565 M739 L759 N760 R773 M777	L563-V762 HydrophobicContact CB-CG2 4.17Å; L563-V762 HydrophobicContact CD2-CG2 4.09Å; L563-V762 HydrophobicContact CG-CG1 4.4Å; L563-V762 HydrophobicContact CG-CG2 4.27Å; L563-V762 WeakPolarHBondContact O-CG1 3.14Å; S564-V762 VanDerWaalsContact C-CG1 3.46Å; N565-V762 HydrophobicContact CB-CG1 4.06Å; N565-V762 VanDerWaalsContact N-CG1 3.35Å; M739-V762 HydrophobicContact SD-CG1 4.08Å; L759-V762 HydrophobicContact CB-CG2 4.17Å; L759-V762 HydrophobicContact CD2-CG2 3.96Å; L759-V762 VanDerWaalsContact O-CG2 3.29Å; L759-V762 WeakPolarHBondContact O-CG2 3.22Å; L759-V762 PolarHBondContact O-N 3.41Å; N760-V762 VanDerWaalsContact C-N 3.34Å; V762-R773 PolarHBondContact O-NE 3.23Å; V762-M777 HydrophobicContact CB-CG 3.89Å; V762-M777 HydrophobicContact CB-SD 3.69Å; V762-M777 HydrophobicContact CG1-SD 4.36Å; V762-M777 HydrophobicContact CG2-CB 4.09Å; V762-M777 HydrophobicContact CG2-CG 3.72Å; V762-M777 HydrophobicContact CG2-SD 3.78Å
763	A	89	Confident	90.5	Very high	22 Å²	22	42.9 Å²	42.9	18%	0.182	23%	0.229	C	C	.	.			trans	-60.1	139.3	176	0	0	0	0	0	111.1	K535 L759 T774	K535-A763 HydrophobicContact CD-CB 4.06Å; K535-A763 HydrophobicContact CG-CB 4.31Å; L759-A763 WeakPolarHBondContact O-CB 3.45Å; L759-A763 PolarHBondContact O-N 3.27Å; A763-T774 HydrophobicContact CB-CG2 4.35Å
764	G	88.8	Confident	90.4	Very high	15 Å²	15	42.4 Å²	42.4	16%	0.155	23%	0.227	C	C	.	.			trans	-80.9	176	176.6	0	0	0	0	0	113.3	G770 T774	G764-G770 VanDerWaalsContact CA-O 3.32Å; G764-G770 WeakPolarHBondContact CA-O 3.22Å; G764-T774 PolarHBondContact N-OG1 2.65Å
765	D	87.9	Confident	90.2	Very high	100 Å²	100	42.2 Å²	42.2	54%	0.535	23%	0.226	S	C	.	.			trans	-75.1	-172.6	174.8	72	7.1	0	0	0	112.4	T767 G770	D765-T767 VanDerWaalsContact C-N 3.26Å; D765-T767 PolarHBondContact O-N 2.88Å; D765-T767 VanDerWaalsContact OD1-CB 3.27Å; D765-T767 WeakPolarHBondContact OD1-CB 3.37Å; D765-T767 WeakPolarHBondContact OD1-CG2 3.48Å; D765-T767 PolarHBondContact OD1-N 2.83Å; D765-T767 PolarHBondContact OD1-OG1 3.06Å; D765-T767 WeakPolarHBondContact OD2-CG2 3.37Å; D765-G770 CarbonylContact O-C 3.52Å; D765-G770 VanDerWaalsContact O-C 3.32Å; D765-G770 WeakPolarHBondContact O-CA 3.34Å; D765-G770 WeakPolarHBondContact OD1-CA 3.43Å
766	K	85.5	Confident	90.1	Very high	181 Å²	181	42 Å²	42	79%	0.787	23%	0.225	S	C	*	.	S	Bend	trans	-80.7	-1.1	-176.6	-66.6	-177	-179.5	177	0	114.2	R771	K766-R771 PolarHBondContact O-NE 3.32Å; K766-R771 VanDerWaalsContact O-NE 3.15Å; K766-R771 PolarHBondContact O-NH2 3.42Å
767	T	88.5	Confident	90	Very high	60 Å²	60	42 Å²	42	37%	0.368	22%	0.224	S	C	.	.	S	Bend	trans	-70.2	161.5	177.8	70.3	0	0	0	0	110.7	D765 A769 G770 R771	D765-T767 VanDerWaalsContact C-N 3.26Å; D765-T767 PolarHBondContact O-N 2.88Å; D765-T767 VanDerWaalsContact OD1-CB 3.27Å; D765-T767 WeakPolarHBondContact OD1-CB 3.37Å; D765-T767 WeakPolarHBondContact OD1-CG2 3.48Å; D765-T767 PolarHBondContact OD1-N 2.83Å; D765-T767 PolarHBondContact OD1-OG1 3.06Å; D765-T767 WeakPolarHBondContact OD2-CG2 3.37Å; T767-A769 PolarHBondContact O-N 3.06Å; T767-G770 PolarHBondContact O-N 3.21Å; T767-G770 VanDerWaalsContact O-N 3.13Å; T767-G770 PolarHBondContact OG1-N 3.14Å; T767-R771 WeakPolarHBondContact O-CG 3.31Å; T767-R771 PolarHBondContact O-N 3.3Å
768	P	86	Confident	89.9	Confident	79 Å²	79	42 Å²	42	51%	0.513	23%	0.225	S	C	.	.	H	α-helix	trans	-52.4	-41.8	173.1	-28.3	36.8	0	0	0	113.2	R771 L772	P768-R771 PolarHBondContact O-N 3.16Å; P768-L772 WeakPolarHBondContact O-CB 3.25Å; P768-L772 PolarHBondContact O-N 2.68Å
769	A	87.3	Confident	89.7	Confident	52 Å²	52	43 Å²	43	43%	0.43	23%	0.23	S	C	.	.	H	α-helix	trans	-64.8	-43.9	175.4	0	0	0	0	0	112.4	T602 T767 R771 L772 R773	T602-A769 HydrophobicContact CG2-CB 4.1Å; T767-A769 PolarHBondContact O-N 3.06Å; A769-R771 VanDerWaalsContact C-N 3.34Å; A769-R771 PolarHBondContact O-N 3.33Å; A769-L772 WeakPolarHBondContact O-CB 3.37Å; A769-L772 PolarHBondContact O-N 3.17Å; A769-R773 PolarHBondContact O-N 3.33Å
770	G	89.6	Confident	89.7	Confident	5 Å²	5	43.3 Å²	43.3	5%	0.052	23%	0.231	C	C	.	.	H	α-helix	trans	-64.1	-35.4	176.6	0	0	0	0	0	113.8	G764 D765 T767 T774	G764-G770 VanDerWaalsContact CA-O 3.32Å; G764-G770 WeakPolarHBondContact CA-O 3.22Å; D765-G770 CarbonylContact O-C 3.52Å; D765-G770 VanDerWaalsContact O-C 3.32Å; D765-G770 WeakPolarHBondContact O-CA 3.34Å; D765-G770 WeakPolarHBondContact OD1-CA 3.43Å; T767-G770 PolarHBondContact O-N 3.21Å; T767-G770 VanDerWaalsContact O-N 3.13Å; T767-G770 PolarHBondContact OG1-N 3.14Å; G770-T774 WeakPolarHBondContact O-CB 3.11Å; G770-T774 PolarHBondContact O-N 3.4Å; G770-T774 PolarHBondContact O-OG1 2.95Å
771	R	89.2	Confident	89.8	Confident	95 Å²	95	39.6 Å²	39.6	36%	0.358	21%	0.212	S	C	.	.	H	α-helix	trans	-69.9	-40.3	173.4	-66.5	-175	-160.6	169.6	5.8	112.2	K766 T767 P768 A769 T774 G775 K833 I835	K766-R771 PolarHBondContact O-NE 3.32Å; K766-R771 VanDerWaalsContact O-NE 3.15Å; K766-R771 PolarHBondContact O-NH2 3.42Å; T767-R771 WeakPolarHBondContact O-CG 3.31Å; T767-R771 PolarHBondContact O-N 3.3Å; P768-R771 PolarHBondContact O-N 3.16Å; A769-R771 VanDerWaalsContact C-N 3.34Å; A769-R771 PolarHBondContact O-N 3.33Å; R771-T774 PolarHBondContact O-N 2.86Å; R771-G775 PolarHBondContact O-N 3.31Å; R771-K833 WeakPolarHBondContact CD-O 3.45Å; R771-K833 PolarHBondContact NH1-O 3.08Å; R771-I835 HydrophobicContact CB-CD1 4.49Å; R771-I835 HydrophobicContact CB-CG1 4.18Å
772	L	89.6	Confident	89.8	Confident	16 Å²	16	35.3 Å²	35.3	8%	0.084	19%	0.189	C	C	.	.	H	α-helix	trans	-58.8	-50.7	173.5	176.5	60.4	0	0	0	110.6	V600 T602 P768 A769 T774 G775 I776 I835 F837	V600-L772 HydrophobicContact CB-CD1 4.04Å; V600-L772 HydrophobicContact CB-CD2 3.9Å; V600-L772 HydrophobicContact CG1-CD1 4.19Å; V600-L772 HydrophobicContact CG1-CD2 4.05Å; V600-L772 HydrophobicContact CG2-CD1 4.22Å; T602-L772 HydrophobicContact CG2-CD2 4.16Å; P768-L772 WeakPolarHBondContact O-CB 3.25Å; P768-L772 PolarHBondContact O-N 2.68Å; A769-L772 WeakPolarHBondContact O-CB 3.37Å; A769-L772 PolarHBondContact O-N 3.17Å; L772-T774 VanDerWaalsContact C-N 3.32Å; L772-T774 PolarHBondContact O-N 3.5Å; L772-G775 WeakPolarHBondContact O-CA 3.31Å; L772-G775 PolarHBondContact O-N 3.26Å; L772-G775 VanDerWaalsContact O-N 3.07Å; L772-I776 HydrophobicContact CD1-CD1 4.29Å; L772-I776 HydrophobicContact CD1-CG1 4.48Å; L772-I776 HydrophobicContact CG-CD1 4.17Å; L772-I776 WeakPolarHBondContact O-CG1 3.49Å; L772-I776 PolarHBondContact O-N 2.97Å; L772-I835 HydrophobicContact CB-CD1 4.03Å; L772-I835 HydrophobicContact CD1-CD1 4.29Å; L772-F837 HydrophobicContact CD1-CE1 3.74Å; L772-F837 HydrophobicContact CD1-CZ 4.39Å
773	R	91.6	Very high	89.7	Confident	79 Å²	79	37.9 Å²	37.9	30%	0.298	20%	0.201	S	C	.	.	H	α-helix	trans	-52.2	-49.8	173.3	170.8	165.8	-179.1	165.4	6	111.7	Y737 V762 A769 G775 I776 M777	Y737-R773 HydrophobicContact CE1-CG 4.07Å; V762-R773 PolarHBondContact O-NE 3.23Å; A769-R773 PolarHBondContact O-N 3.33Å; R773-G775 VanDerWaalsContact C-N 3.32Å; R773-G775 PolarHBondContact O-N 2.81Å; R773-I776 PolarHBondContact O-N 2.89Å; R773-M777 VanDerWaalsContact O-CG 3.32Å; R773-M777 WeakPolarHBondContact O-CG 3.34Å; R773-M777 PolarHBondContact O-N 2.9Å
774	T	91.5	Very high	89.8	Confident	2 Å²	2	37.7 Å²	37.7	1%	0.012	20%	0.197	C	C	.	.	H	α-helix	trans	-60.2	-41.2	177.8	-55.5	0	0	0	0	112.1	A763 G764 G770 R771 L772 M777 Y778 N831	A763-T774 HydrophobicContact CB-CG2 4.35Å; G764-T774 PolarHBondContact N-OG1 2.65Å; G770-T774 WeakPolarHBondContact O-CB 3.11Å; G770-T774 PolarHBondContact O-N 3.4Å; G770-T774 PolarHBondContact O-OG1 2.95Å; R771-T774 PolarHBondContact O-N 2.86Å; L772-T774 VanDerWaalsContact C-N 3.32Å; L772-T774 PolarHBondContact O-N 3.5Å; T774-M777 PolarHBondContact O-N 3.34Å; T774-Y778 HydrophobicContact CG2-CD2 3.9Å; T774-Y778 HydrophobicContact CG2-CE2 3.6Å; T774-Y778 VanDerWaalsContact O-CD2 3.23Å; T774-Y778 WeakPolarHBondContact O-CD2 3.3Å; T774-Y778 PolarHBondContact O-N 3.16Å; T774-N831 HydrophobicContact CG2-CB 3.91Å
775	G	90.4	Very high	89.9	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-61.8	-42.2	176	0	0	0	0	0	113.2	R771 L772 R773 Y778 L779	R771-G775 PolarHBondContact O-N 3.31Å; L772-G775 WeakPolarHBondContact O-CA 3.31Å; L772-G775 PolarHBondContact O-N 3.26Å; L772-G775 VanDerWaalsContact O-N 3.07Å; R773-G775 VanDerWaalsContact C-N 3.32Å; R773-G775 PolarHBondContact O-N 2.81Å; G775-Y778 PolarHBondContact O-N 3.45Å; G775-L779 PolarHBondContact O-N 3.47Å
776	I	91.4	Very high	89.9	Confident	1 Å²	1	32.5 Å²	32.5	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-62.9	-43.5	174.9	-64.1	166.7	0	0	0	110.3	V594 A597 L598 Y737 M740 L772 R773 Y778 L779 L780 F837	V594-I776 HydrophobicContact CG1-CG2 4.32Å; A597-I776 HydrophobicContact CB-CD1 4.22Å; A597-I776 HydrophobicContact CB-CG1 3.84Å; L598-I776 HydrophobicContact CD2-CD1 4.04Å; Y737-I776 HydrophobicContact CE2-CD1 4.36Å; M740-I776 HydrophobicContact CE-CG2 4.04Å; L772-I776 HydrophobicContact CD1-CD1 4.29Å; L772-I776 HydrophobicContact CD1-CG1 4.48Å; L772-I776 HydrophobicContact CG-CD1 4.17Å; L772-I776 WeakPolarHBondContact O-CG1 3.49Å; L772-I776 PolarHBondContact O-N 2.97Å; R773-I776 PolarHBondContact O-N 2.89Å; I776-Y778 VanDerWaalsContact C-N 3.34Å; I776-Y778 PolarHBondContact O-N 2.98Å; I776-L779 PolarHBondContact O-N 2.97Å; I776-L780 PolarHBondContact O-N 3.26Å; I776-F837 HydrophobicContact CG1-CZ 4.19Å
777	M	92.7	Very high	90	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.005	14%	0.135	C	C	.	.	H	α-helix	trans	-62.4	-37.9	178.2	-66.2	-57	103	0	0	112.8	Y737 M739 M740 L759 V762 R773 T774 L780 A781	Y737-M777 HydrophobicContact CD1-CE 3.5Å; Y737-M777 HydrophobicContact CE1-CE 3.59Å; M739-M777 HydrophobicContact CE-SD 4.44Å; M739-M777 HydrophobicContact SD-CE 4.29Å; M739-M777 HydrophobicContact SD-SD 3.76Å; M740-M777 HydrophobicContact CE-CE 3.67Å; L759-M777 HydrophobicContact CD1-CB 4.44Å; L759-M777 HydrophobicContact CD2-CB 4.16Å; V762-M777 HydrophobicContact CB-CG 3.89Å; V762-M777 HydrophobicContact CB-SD 3.69Å; V762-M777 HydrophobicContact CG1-SD 4.36Å; V762-M777 HydrophobicContact CG2-CB 4.09Å; V762-M777 HydrophobicContact CG2-CG 3.72Å; V762-M777 HydrophobicContact CG2-SD 3.78Å; R773-M777 VanDerWaalsContact O-CG 3.32Å; R773-M777 WeakPolarHBondContact O-CG 3.34Å; R773-M777 PolarHBondContact O-N 2.9Å; T774-M777 PolarHBondContact O-N 3.34Å; M777-L780 PolarHBondContact O-N 3.27Å; M777-A781 WeakPolarHBondContact O-CB 3.26Å; M777-A781 PolarHBondContact O-N 2.84Å
778	Y	91.5	Very high	90	Very high	1 Å²	1	23.6 Å²	23.6	0%	0.004	13%	0.128	C	C	.	.	H	α-helix	trans	-64.1	-40.6	173.7	-84.6	-66.5	0	0	0	113	I533 L759 T774 G775 I776 G782 Y826 D827 E828 L829 A832 I838	I533-Y778 HydrophobicContact CG2-CD1 3.58Å; I533-Y778 HydrophobicContact CG2-CE1 3.88Å; L759-Y778 HydrophobicContact CD1-CD1 3.48Å; L759-Y778 VanDerWaalsContact CD1-CD1 3.48Å; L759-Y778 HydrophobicContact CD1-CD2 4.28Å; L759-Y778 HydrophobicContact CD1-CE1 3.56Å; L759-Y778 HydrophobicContact CD1-CE2 4.36Å; L759-Y778 HydrophobicContact CD1-CG 3.84Å; T774-Y778 HydrophobicContact CG2-CD2 3.9Å; T774-Y778 HydrophobicContact CG2-CE2 3.6Å; T774-Y778 VanDerWaalsContact O-CD2 3.23Å; T774-Y778 WeakPolarHBondContact O-CD2 3.3Å; T774-Y778 PolarHBondContact O-N 3.16Å; G775-Y778 PolarHBondContact O-N 3.45Å; I776-Y778 VanDerWaalsContact C-N 3.34Å; I776-Y778 PolarHBondContact O-N 2.98Å; Y778-G782 PolarHBondContact O-N 3Å; Y778-Y826 HydrophobicContact CD1-CD1 4.04Å; Y778-D827 PolarHBondContact OH-O 3.41Å; Y778-E828 PolarHBondContact OH-O 2.94Å; Y778-E828 VanDerWaalsContact OH-O 3.1Å; Y778-L829 HydrophobicContact CD1-CD2 4.01Å; Y778-L829 HydrophobicContact CD2-CD2 4.23Å; Y778-L829 HydrophobicContact CE1-CD2 4.02Å; Y778-L829 HydrophobicContact CE2-CD2 4.21Å; Y778-L829 HydrophobicContact CG-CD2 4.16Å; Y778-A832 HydrophobicContact CD2-CB 4.24Å; Y778-A832 HydrophobicContact CE2-CB 4.43Å; Y778-I838 HydrophobicContact CD2-CD1 3.89Å; Y778-I838 HydrophobicContact CG-CD1 3.81Å
779	L	89.4	Confident	90.2	Very high	22 Å²	22	20 Å²	20	12%	0.115	10%	0.104	C	C	.	.	H	α-helix	trans	-62.3	-48	175	-74	-175.6	0	0	0	111	F590 V594 G775 I776 G782 Q783 F837 A841	F590-L779 HydrophobicContact CE2-CB 4.33Å; V594-L779 HydrophobicContact CG2-CB 4.44Å; V594-L779 HydrophobicContact CG2-CD1 4.24Å; G775-L779 PolarHBondContact O-N 3.47Å; I776-L779 PolarHBondContact O-N 2.97Å; L779-G782 PolarHBondContact O-N 3.21Å; L779-Q783 PolarHBondContact O-N 3.41Å; L779-F837 HydrophobicContact CD1-CD2 3.57Å; L779-F837 HydrophobicContact CD1-CE2 3.27Å; L779-F837 HydrophobicContact CD1-CZ 4.33Å; L779-F837 HydrophobicContact CG-CD2 4.21Å; L779-F837 HydrophobicContact CG-CE2 3.74Å; L779-A841 HydrophobicContact CD2-CB 3.98Å
780	L	91.2	Very high	90.2	Very high	6 Å²	6	18.2 Å²	18.2	3%	0.031	9%	0.088	C	C	.	.	H	α-helix	trans	-61.5	-48.5	-179.3	-177.5	64.6	0	0	0	111.4	F590 M739 M740 I776 M777 G782 Q783 I784	F590-L780 HydrophobicContact CZ-CD1 4.15Å; M739-L780 HydrophobicContact CE-CD2 3.57Å; M739-L780 HydrophobicContact SD-CD2 4.39Å; M740-L780 HydrophobicContact CE-CD2 3.82Å; I776-L780 PolarHBondContact O-N 3.26Å; M777-L780 PolarHBondContact O-N 3.27Å; L780-G782 VanDerWaalsContact C-N 3.31Å; L780-G782 PolarHBondContact O-N 3.21Å; L780-Q783 WeakPolarHBondContact O-CB 3.17Å; L780-Q783 PolarHBondContact O-N 3.12Å; L780-Q783 VanDerWaalsContact O-N 3.14Å; L780-I784 HydrophobicContact CD1-CD1 4.26Å; L780-I784 HydrophobicContact CG-CD1 3.9Å; L780-I784 WeakPolarHBondContact O-CG1 3.3Å; L780-I784 PolarHBondContact O-N 2.95Å
781	A	91.8	Very high	90.2	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-62.7	-38.7	176.5	0	0	0	0	0	112.3	I533 L563 V757 L759 M777 Q783 I784 A785	I533-A781 HydrophobicContact CG1-CB 4.01Å; I533-A781 HydrophobicContact CG2-CB 3.68Å; L563-A781 HydrophobicContact CD2-CB 4.49Å; V757-A781 HydrophobicContact CB-CB 4.01Å; V757-A781 HydrophobicContact CG1-CB 3.69Å; V757-A781 HydrophobicContact CG2-CB 4.46Å; L759-A781 HydrophobicContact CD2-CB 3.73Å; M777-A781 WeakPolarHBondContact O-CB 3.26Å; M777-A781 PolarHBondContact O-N 2.84Å; A781-Q783 VanDerWaalsContact C-N 3.27Å; A781-Q783 PolarHBondContact O-N 2.7Å; A781-I784 PolarHBondContact O-N 3.39Å; A781-A785 VanDerWaalsContact O-CB 3.29Å; A781-A785 WeakPolarHBondContact O-CB 3.1Å; A781-A785 PolarHBondContact O-N 3.46Å
782	G	90.9	Very high	90.2	Very high	3 Å²	3	14.3 Å²	14.3	3%	0.031	7%	0.074	C	C	.	.	H	α-helix	trans	-61.7	-33.8	174.1	0	0	0	0	0	113.5	Y778 L779 L780 G786 G787	Y778-G782 PolarHBondContact O-N 3Å; L779-G782 PolarHBondContact O-N 3.21Å; L780-G782 VanDerWaalsContact C-N 3.31Å; L780-G782 PolarHBondContact O-N 3.21Å; G782-G786 CarbonylContact O-C 3.59Å; G782-G786 PolarHBondContact O-N 2.91Å; G782-G787 PolarHBondContact O-N 3.5Å
783	Q	89.9	Confident	90	Very high	56 Å²	56	15.9 Å²	15.9	26%	0.262	8%	0.08	S	C	.	.	H	α-helix	trans	-75.7	-43.6	174.6	-174.7	67	6	0	0	112	F590 L779 L780 A781 A785 G787	F590-Q783 HydrophobicContact CD1-CB 4.48Å; F590-Q783 HydrophobicContact CD1-CG 3.83Å; F590-Q783 HydrophobicContact CD2-CB 3.91Å; F590-Q783 HydrophobicContact CD2-CG 4.09Å; F590-Q783 HydrophobicContact CE1-CB 4.12Å; F590-Q783 HydrophobicContact CE1-CG 3.64Å; F590-Q783 HydrophobicContact CE2-CB 3.5Å; F590-Q783 VanDerWaalsContact CE2-CB 3.5Å; F590-Q783 HydrophobicContact CE2-CG 3.92Å; F590-Q783 HydrophobicContact CG-CB 4.39Å; F590-Q783 HydrophobicContact CG-CG 4.04Å; F590-Q783 HydrophobicContact CZ-CB 3.61Å; F590-Q783 HydrophobicContact CZ-CG 3.7Å; L779-Q783 PolarHBondContact O-N 3.41Å; L780-Q783 WeakPolarHBondContact O-CB 3.17Å; L780-Q783 PolarHBondContact O-N 3.12Å; L780-Q783 VanDerWaalsContact O-N 3.14Å; A781-Q783 VanDerWaalsContact C-N 3.27Å; A781-Q783 PolarHBondContact O-N 2.7Å; Q783-A785 PolarHBondContact O-N 2.8Å; Q783-G787 WeakPolarHBondContact O-CA 3.48Å; Q783-G787 PolarHBondContact O-N 2.86Å
784	I	90.4	Very high	90	Very high	18 Å²	18	13.9 Å²	13.9	9%	0.092	7%	0.073	C	C	.	.	H	α-helix	trans	-60.8	-46.2	177.7	-70	167.3	0	0	0	110.9	I561 L563 R571 F746 L748 L780 A781	I561-I784 HydrophobicContact CD1-CG2 3.88Å; L563-I784 HydrophobicContact CD1-CD1 4.19Å; R571-I784 HydrophobicContact CB-CD1 4.33Å; R571-I784 HydrophobicContact CG-CD1 4.22Å; R571-I784 HydrophobicContact CG-CG1 4.06Å; F746-I784 HydrophobicContact CZ-CD1 4.48Å; L748-I784 HydrophobicContact CD1-CG2 4.46Å; L780-I784 HydrophobicContact CD1-CD1 4.26Å; L780-I784 HydrophobicContact CG-CD1 3.9Å; L780-I784 WeakPolarHBondContact O-CG1 3.3Å; L780-I784 PolarHBondContact O-N 2.95Å; A781-I784 PolarHBondContact O-N 3.39Å
785	A	90.8	Very high	90	Very high	6 Å²	6	16.6 Å²	16.6	5%	0.05	9%	0.085	C	C	.	.	H	α-helix	trans	-82.7	-26.9	-172	0	0	0	0	0	114	A531 V755 V757 A781 Q783	A531-A785 HydrophobicContact CB-CB 3.61Å; A531-A785 WeakPolarHBondContact CB-O 3.32Å; V755-A785 HydrophobicContact CB-CB 3.96Å; V755-A785 HydrophobicContact CG1-CB 3.84Å; V757-A785 HydrophobicContact CG2-CB 3.94Å; A781-A785 VanDerWaalsContact O-CB 3.29Å; A781-A785 WeakPolarHBondContact O-CB 3.1Å; A781-A785 PolarHBondContact O-N 3.46Å; Q783-A785 PolarHBondContact O-N 2.8Å
786	G	89.6	Confident	90.2	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-162.4	33.6	-174.7	0	0	0	0	0	114.5	G782 D788 F789 K824	G782-G786 CarbonylContact O-C 3.59Å; G782-G786 PolarHBondContact O-N 2.91Å; G786-D788 PolarHBondContact O-N 3.23Å; G786-F789 PolarHBondContact O-N 3.4Å; G786-K824 WeakPolarHBondContact O-CE 3.42Å; G786-K824 PolarHBondContact O-NZ 3.19Å
787	G	87.4	Confident	90.3	Very high	13 Å²	13	24.6 Å²	24.6	13%	0.134	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-63.3	-28.6	172.9	0	0	0	0	0	112.8	G782 Q783 F789	G782-G787 PolarHBondContact O-N 3.5Å; Q783-G787 WeakPolarHBondContact O-CA 3.48Å; Q783-G787 PolarHBondContact O-N 2.86Å; G787-F789 VanDerWaalsContact C-N 3.33Å; G787-F789 PolarHBondContact O-N 2.83Å
788	D	87.9	Confident	90.4	Very high	40 Å²	40	24.5 Å²	24.5	21%	0.214	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-74	-18.6	179.1	65.6	-27.2	0	0	0	113.6	G786 V790 L791 R813 L817	G786-D788 PolarHBondContact O-N 3.23Å; D788-V790 PolarHBondContact O-N 2.78Å; D788-L791 HydrophobicContact CB-CD1 3.8Å; D788-L791 HydrophobicContact CB-CG 4.38Å; D788-L791 VanDerWaalsContact O-CB 3.31Å; D788-L791 WeakPolarHBondContact O-CB 3.19Å; D788-L791 WeakPolarHBondContact O-CG 3.17Å; D788-L791 PolarHBondContact O-N 3.48Å; D788-R813 IonicContact OD2-CZ 2.65Å; D788-R813 IonicContact OD2-NE 3.97Å; D788-R813 PolarHBondContact OD2-NE 3.44Å; D788-R813 IonicContact OD2-NH2 3.77Å; D788-R813 PolarHBondContact OD2-NH2 2.6Å; D788-L817 HydrophobicContact CB-CD1 4.27Å; D788-L817 VanDerWaalsContact O-CD1 3.28Å; D788-L817 WeakPolarHBondContact O-CD1 3.27Å
789	F	89.7	Confident	90.5	Very high	3 Å²	3	29 Å²	29	1%	0.013	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-60.8	-20.5	-174	-66.3	-2.7	0	0	0	114.6	F529 A531 G786 G787 L817 K822 K824 I854	F529-F789 HydrophobicContact CB-CE1 3.81Å; F529-F789 HydrophobicContact CB-CZ 3.76Å; F529-F789 HydrophobicContact CD1-CE1 4.15Å; F529-F789 HydrophobicContact CG-CE1 4.15Å; A531-F789 HydrophobicContact CB-CE2 3.85Å; A531-F789 HydrophobicContact CB-CZ 4.09Å; G786-F789 PolarHBondContact O-N 3.4Å; G787-F789 VanDerWaalsContact C-N 3.33Å; G787-F789 PolarHBondContact O-N 2.83Å; F789-L817 HydrophobicContact CD1-CD2 3.74Å; F789-L817 HydrophobicContact CE1-CD2 4.27Å; F789-K822 HydrophobicContact CB-CB 4.35Å; F789-K822 HydrophobicContact CB-CG 4Å; F789-K822 HydrophobicContact CD1-CB 4.4Å; F789-K822 HydrophobicContact CD1-CG 3.79Å; F789-K822 HydrophobicContact CD2-CB 3.52Å; F789-K822 HydrophobicContact CD2-CG 3.82Å; F789-K822 HydrophobicContact CE1-CG 4.2Å; F789-K822 HydrophobicContact CE2-CB 3.8Å; F789-K822 HydrophobicContact CE2-CG 4.22Å; F789-K822 HydrophobicContact CG-CB 3.86Å; F789-K822 HydrophobicContact CG-CG 3.61Å; F789-K822 HydrophobicContact CZ-CB 4.37Å; F789-K822 HydrophobicContact CZ-CG 4.4Å; F789-K824 HydrophobicContact CD2-CD 4.45Å; F789-K824 HydrophobicContact CD2-CG 4Å; F789-K824 HydrophobicContact CE2-CG 4.08Å; F789-I854 HydrophobicContact CB-CD1 3.82Å
790	V	86.9	Confident	90.7	Very high	16 Å²	16	36.6 Å²	36.6	10%	0.097	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-93	-7.8	178.9	-61.3	0	0	0	0	113.4	P586 D788 P792 Q793 Y794 I854	P586-V790 HydrophobicContact CB-CG2 3.76Å; P586-V790 HydrophobicContact CG-CG2 4.11Å; D788-V790 PolarHBondContact O-N 2.78Å; V790-P792 VanDerWaalsContact C-N 3.34Å; V790-Q793 WeakPolarHBondContact O-CB 3.2Å; V790-Q793 VanDerWaalsContact O-CG 3.31Å; V790-Q793 WeakPolarHBondContact O-CG 3.43Å; V790-Q793 PolarHBondContact O-N 3.06Å; V790-Q793 VanDerWaalsContact O-N 3.08Å; V790-Y794 WeakPolarHBondContact O-CD2 3.44Å; V790-I854 HydrophobicContact CG1-CD1 4.41Å
791	L	89.7	Confident	90.7	Very high	16 Å²	16	40.1 Å²	40.1	8%	0.084	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-56.7	-33.9	-177.1	-64.7	176.8	0	0	0	114.9	V584 D788 Q793 Y794 Q795 I798 I814	V584-L791 HydrophobicContact CG2-CD2 4.24Å; D788-L791 HydrophobicContact CB-CD1 3.8Å; D788-L791 HydrophobicContact CB-CG 4.38Å; D788-L791 VanDerWaalsContact O-CB 3.31Å; D788-L791 WeakPolarHBondContact O-CB 3.19Å; D788-L791 WeakPolarHBondContact O-CG 3.17Å; D788-L791 PolarHBondContact O-N 3.48Å; L791-Q793 PolarHBondContact O-N 2.87Å; L791-Q793 VanDerWaalsContact O-N 3.09Å; L791-Y794 CarbonylContact O-C 3.54Å; L791-Y794 PolarHBondContact O-N 2.89Å; L791-Q795 PolarHBondContact O-N 2.94Å; L791-I798 HydrophobicContact CB-CD1 4.13Å; L791-I798 HydrophobicContact CD2-CD1 3.97Å; L791-I814 HydrophobicContact CB-CD1 4.47Å; L791-I814 HydrophobicContact CB-CG1 4.1Å
792	P	89.7	Confident	90.8	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.013	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-54.6	-29.1	175	-28.5	36.2	0	0	0	114.7	V790 Y794 Q795 I814 L817 D818	V790-P792 VanDerWaalsContact C-N 3.34Å; P792-Y794 VanDerWaalsContact C-N 3.27Å; P792-Y794 PolarHBondContact O-N 2.76Å; P792-Q795 WeakPolarHBondContact O-CG 3.46Å; P792-Q795 PolarHBondContact O-NE2 2.83Å; P792-I814 HydrophobicContact CB-CG2 4.31Å; P792-I814 HydrophobicContact CG-CG2 4.26Å; P792-L817 HydrophobicContact CG-CB 3.7Å; P792-D818 HydrophobicContact CB-CB 4.02Å; P792-D818 HydrophobicContact CG-CB 4.18Å
793	Q	86.4	Confident	91	Very high	49 Å²	49	43.1 Å²	43.1	23%	0.229	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-72.7	-24.3	179	-44.2	-166.5	20.3	0	0	112.7	V790 L791 F852	V790-Q793 WeakPolarHBondContact O-CB 3.2Å; V790-Q793 VanDerWaalsContact O-CG 3.31Å; V790-Q793 WeakPolarHBondContact O-CG 3.43Å; V790-Q793 PolarHBondContact O-N 3.06Å; V790-Q793 VanDerWaalsContact O-N 3.08Å; L791-Q793 PolarHBondContact O-N 2.87Å; L791-Q793 VanDerWaalsContact O-N 3.09Å; Q793-F852 HydrophobicContact CB-CD2 4.44Å; Q793-F852 HydrophobicContact CB-CE2 3.96Å; Q793-F852 HydrophobicContact CB-CZ 4.11Å; Q793-F852 VanDerWaalsContact CD-CE2 3.48Å; Q793-F852 HydrophobicContact CG-CD1 4.25Å; Q793-F852 HydrophobicContact CG-CD2 3.36Å; Q793-F852 HydrophobicContact CG-CE1 4.24Å; Q793-F852 HydrophobicContact CG-CE2 3.35Å; Q793-F852 HydrophobicContact CG-CG 3.82Å; Q793-F852 HydrophobicContact CG-CZ 3.82Å
794	Y	90.9	Very high	91.2	Very high	37 Å²	37	45 Å²	45	15%	0.145	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-109.6	16.9	-176.4	-60.1	-85.4	0	0	0	111.3	T585 P586 V790 L791 P792 E796 E797 I798	T585-Y794 HydrophobicContact CG2-CE1 3.76Å; P586-Y794 HydrophobicContact CB-CD2 4.26Å; P586-Y794 HydrophobicContact CB-CE2 3.86Å; P586-Y794 HydrophobicContact CG-CD2 3.56Å; P586-Y794 HydrophobicContact CG-CE2 3.67Å; P586-Y794 HydrophobicContact CG-CG 4.01Å; V790-Y794 WeakPolarHBondContact O-CD2 3.44Å; L791-Y794 CarbonylContact O-C 3.54Å; L791-Y794 PolarHBondContact O-N 2.89Å; P792-Y794 VanDerWaalsContact C-N 3.27Å; P792-Y794 PolarHBondContact O-N 2.76Å; Y794-E796 VanDerWaalsContact C-N 3.27Å; Y794-E796 PolarHBondContact O-N 2.93Å; Y794-E797 WeakPolarHBondContact CD1-OE2 3.34Å; Y794-E797 WeakPolarHBondContact O-CB 3.3Å; Y794-E797 PolarHBondContact O-N 2.91Å; Y794-E797 VanDerWaalsContact O-N 3.12Å; Y794-I798 WeakPolarHBondContact O-CB 3.37Å; Y794-I798 VanDerWaalsContact O-CG1 3.27Å; Y794-I798 WeakPolarHBondContact O-CG1 3.26Å; Y794-I798 PolarHBondContact O-N 3.27Å
795	Q	91.8	Very high	91.4	Very high	58 Å²	58	49.2 Å²	49.2	27%	0.271	24%	0.238	S	C	.	.	H	α-helix	trans	-58.3	-35.3	-175.6	71.2	175.1	-64.9	0	0	113.6	L791 P792 R799 F811 I814	L791-Q795 PolarHBondContact O-N 2.94Å; P792-Q795 WeakPolarHBondContact O-CG 3.46Å; P792-Q795 PolarHBondContact O-NE2 2.83Å; Q795-R799 WeakPolarHBondContact O-CB 3.42Å; Q795-R799 PolarHBondContact O-N 3.24Å; Q795-F811 HydrophobicContact CB-CE1 4.22Å; Q795-I814 HydrophobicContact CB-CG2 4.25Å
796	E	93.4	Very high	91.6	Very high	120 Å²	120	48.9 Å²	48.9	56%	0.561	24%	0.235	S	C	*	.	H	α-helix	trans	-73.3	-39.2	177.8	-65	-50.7	136.1	0	0	111.9	Y794 I798 R799 K800	Y794-E796 VanDerWaalsContact C-N 3.27Å; Y794-E796 PolarHBondContact O-N 2.93Å; E796-I798 VanDerWaalsContact C-N 3.32Å; E796-R799 PolarHBondContact O-N 3.46Å; E796-R799 IonicContact OE1-CZ 2.71Å; E796-R799 IonicContact OE1-NH1 3.28Å; E796-R799 PolarHBondContact OE1-NH1 3.31Å; E796-R799 IonicContact OE2-NH1 3.43Å; E796-R799 PolarHBondContact OE2-NH1 3.22Å; E796-R799 VanDerWaalsContact OE2-NH1 3.07Å; E796-K800 WeakPolarHBondContact O-CB 3.15Å; E796-K800 PolarHBondContact O-N 3.02Å; E796-K800 VanDerWaalsContact O-N 3.09Å
797	E	94.4	Very high	91.7	Very high	49 Å²	49	51 Å²	51	23%	0.229	25%	0.245	C	C	.	.	H	α-helix	trans	-61.2	-45.2	172.6	-175.5	-172.8	151.5	0	0	110.2	V584 T585 Y794 K800 N801	V584-E797 VanDerWaalsContact CA-OE1 3.29Å; V584-E797 WeakPolarHBondContact CA-OE1 3.27Å; T585-E797 WeakPolarHBondContact CB-OE2 3.45Å; T585-E797 PolarHBondContact N-OE1 3.09Å; T585-E797 PolarHBondContact OG1-OE1 2.85Å; T585-E797 PolarHBondContact OG1-OE2 3.47Å; Y794-E797 WeakPolarHBondContact CD1-OE2 3.34Å; Y794-E797 WeakPolarHBondContact O-CB 3.3Å; Y794-E797 PolarHBondContact O-N 2.91Å; Y794-E797 VanDerWaalsContact O-N 3.12Å; E797-K800 PolarHBondContact O-N 3.15Å; E797-N801 WeakPolarHBondContact CG-ND2 3.37Å; E797-N801 WeakPolarHBondContact O-CB 3.22Å; E797-N801 PolarHBondContact O-N 2.72Å; E797-N801 PolarHBondContact O-ND2 2.66Å
798	I	94.3	Very high	91.8	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-60.2	-50.5	176.2	-69.9	163.4	0	0	0	110.4	M577 V584 L791 Y794 E796 K800 N801 L802 I810 F811 I814	M577-I798 HydrophobicContact CE-CB 4.48Å; M577-I798 HydrophobicContact CE-CG1 4.09Å; M577-I798 HydrophobicContact CE-CG2 3.83Å; M577-I798 HydrophobicContact SD-CD1 4.22Å; M577-I798 HydrophobicContact SD-CG1 4.26Å; M577-I798 HydrophobicContact SD-CG2 4.13Å; V584-I798 HydrophobicContact CG1-CG1 3.82Å; L791-I798 HydrophobicContact CB-CD1 4.13Å; L791-I798 HydrophobicContact CD2-CD1 3.97Å; Y794-I798 WeakPolarHBondContact O-CB 3.37Å; Y794-I798 VanDerWaalsContact O-CG1 3.27Å; Y794-I798 WeakPolarHBondContact O-CG1 3.26Å; Y794-I798 PolarHBondContact O-N 3.27Å; E796-I798 VanDerWaalsContact C-N 3.32Å; I798-K800 PolarHBondContact O-N 3.18Å; I798-N801 PolarHBondContact O-N 3.37Å; I798-L802 HydrophobicContact CG2-CB 4.34Å; I798-L802 HydrophobicContact CG2-CD2 4.17Å; I798-L802 WeakPolarHBondContact O-CB 3.43Å; I798-L802 PolarHBondContact O-N 3.43Å; I798-I810 HydrophobicContact CG2-CG2 4Å; I798-F811 HydrophobicContact CB-CZ 4.49Å; I798-F811 HydrophobicContact CG2-CE2 4.14Å; I798-F811 HydrophobicContact CG2-CZ 3.91Å; I798-I814 HydrophobicContact CD1-CD1 3.72Å; I798-I814 HydrophobicContact CG2-CD1 4.21Å
799	R	94.3	Very high	91.8	Very high	96 Å²	96	57.3 Å²	57.3	36%	0.362	27%	0.273	S	S	.	.	H	α-helix	trans	-58	-39.1	-178.7	-168.3	171.6	-71.7	112.4	-0.7	112.3	Q795 E796 F811	Q795-R799 WeakPolarHBondContact O-CB 3.42Å; Q795-R799 PolarHBondContact O-N 3.24Å; E796-R799 PolarHBondContact O-N 3.46Å; E796-R799 IonicContact OE1-CZ 2.71Å; E796-R799 IonicContact OE1-NH1 3.28Å; E796-R799 PolarHBondContact OE1-NH1 3.31Å; E796-R799 IonicContact OE2-NH1 3.43Å; E796-R799 PolarHBondContact OE2-NH1 3.22Å; E796-R799 VanDerWaalsContact OE2-NH1 3.07Å; R799-F811 HydrophobicContact CB-CE2 4.31Å; R799-F811 HydrophobicContact CB-CZ 3.64Å; R799-F811 HydrophobicContact CG-CE2 4.49Å; R799-F811 HydrophobicContact CG-CZ 4.15Å; R799-F811 VanDerWaalsContact NH2-CE1 3.31Å
800	K	93.8	Very high	91.8	Very high	180 Å²	180	58.1 Å²	58.1	78%	0.783	28%	0.277	S	S	*	.	H	α-helix	trans	-74.9	-38.2	-178.1	-175.1	179.9	178	-177.4	0	112.9	E796 E797 I798	E796-K800 WeakPolarHBondContact O-CB 3.15Å; E796-K800 PolarHBondContact O-N 3.02Å; E796-K800 VanDerWaalsContact O-N 3.09Å; E797-K800 PolarHBondContact O-N 3.15Å; I798-K800 PolarHBondContact O-N 3.18Å
801	N	91.4	Very high	92.1	Very high	80 Å²	80	59 Å²	59	43%	0.428	28%	0.28	S	S	.	.	H	α-helix	trans	-100.1	-22.1	-169.6	-65.9	-31.7	0	0	0	113.9	E797 I798	E797-N801 WeakPolarHBondContact CG-ND2 3.37Å; E797-N801 WeakPolarHBondContact O-CB 3.22Å; E797-N801 PolarHBondContact O-N 2.72Å; E797-N801 PolarHBondContact O-ND2 2.66Å; I798-N801 PolarHBondContact O-N 3.37Å
802	L	94.4	Very high	92.2	Very high	9 Å²	9	65 Å²	65	5%	0.047	30%	0.301	C	S	.	.	S	Bend	trans	-87.4	135.6	178.6	-174.5	66	0	0	0	110.4	M577 A580 I798 Y806 H807 I810	M577-L802 HydrophobicContact CE-CB 4.35Å; M577-L802 HydrophobicContact CE-CD1 4.05Å; M577-L802 HydrophobicContact CE-CD2 3.88Å; M577-L802 HydrophobicContact CE-CG 4.31Å; A580-L802 HydrophobicContact CB-CD1 4.35Å; I798-L802 HydrophobicContact CG2-CB 4.34Å; I798-L802 HydrophobicContact CG2-CD2 4.17Å; I798-L802 WeakPolarHBondContact O-CB 3.43Å; I798-L802 PolarHBondContact O-N 3.43Å; L802-Y806 HydrophobicContact CD1-CD2 4.36Å; L802-Y806 HydrophobicContact CD1-CG 4.39Å; L802-H807 PolarHBondContact O-NE2 2.9Å; L802-I810 HydrophobicContact CD2-CB 4.02Å; L802-I810 HydrophobicContact CD2-CG1 3.74Å; L802-I810 HydrophobicContact CD2-CG2 4.17Å
803	D	93.8	Very high	92.2	Very high	57 Å²	57	67.3 Å²	67.3	31%	0.305	31%	0.31	S	S	.	.			trans	-59.3	133.1	175.6	-178.1	-53.3	0	0	0	111	R805 Y806 H807	D803-R805 VanDerWaalsContact CG-NE 3.29Å; D803-R805 PolarHBondContact O-N 3.27Å; D803-R805 VanDerWaalsContact OD1-CB 3.31Å; D803-R805 WeakPolarHBondContact OD1-CB 3.32Å; D803-R805 VanDerWaalsContact OD1-CG 3.26Å; D803-R805 WeakPolarHBondContact OD1-CG 3.48Å; D803-R805 IonicContact OD1-CZ 2.75Å; D803-R805 PolarHBondContact OD1-N 3.41Å; D803-R805 IonicContact OD1-NE 3.29Å; D803-R805 PolarHBondContact OD1-NE 2.51Å; D803-R805 IonicContact OD1-NH2 3.43Å; D803-R805 IonicContact OD2-CZ 3.81Å; D803-R805 VanDerWaalsContact OD2-CZ 3.28Å; D803-R805 IonicContact OD2-NE 3.06Å; D803-R805 PolarHBondContact OD2-NE 3.39Å; D803-R805 VanDerWaalsContact OD2-NE 3.1Å; D803-R805 IonicContact OD2-NH2 3.43Å; D803-R805 PolarHBondContact OD2-NH2 3.25Å; D803-Y806 HydrophobicContact CB-CD2 3.99Å; D803-Y806 HydrophobicContact CB-CE2 4.33Å; D803-Y806 PolarHBondContact O-N 3.43Å; D803-H807 PolarHBondContact O-CD2 2.99Å
804	P	94.5	Very high	92.4	Very high	97 Å²	97	65.1 Å²	65.1	63%	0.63	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-50.6	-28.6	-178.4	-30.3	36.5	0	0	0	115.5	Y806 H807	P804-Y806 PolarHBondContact O-N 2.87Å; P804-Y806 VanDerWaalsContact O-N 3.13Å; P804-H807 WeakPolarHBondContact O-CB 3.37Å; P804-H807 PolarHBondContact O-N 3.14Å; P804-H807 VanDerWaalsContact O-N 3.1Å
805	R	94.6	Very high	92.4	Very high	105 Å²	105	68.7 Å²	68.7	40%	0.396	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-57.6	-27.6	177.8	-66.9	174.2	-71.8	160.8	5.2	112.8	D672 H675 D803	D672-R805 IonicContact OD2-CZ 3.93Å; D672-R805 IonicContact OD2-NH1 2.62Å; D672-R805 PolarHBondContact OD2-NH1 2.84Å; D672-R805 IonicContact OD2-NH2 3.64Å; D672-R805 PolarHBondContact OD2-NH2 2.82Å; H675-R805 PolarHBondContact NE2-O 3.26Å; D803-R805 VanDerWaalsContact CG-NE 3.29Å; D803-R805 PolarHBondContact O-N 3.27Å; D803-R805 VanDerWaalsContact OD1-CB 3.31Å; D803-R805 WeakPolarHBondContact OD1-CB 3.32Å; D803-R805 VanDerWaalsContact OD1-CG 3.26Å; D803-R805 WeakPolarHBondContact OD1-CG 3.48Å; D803-R805 IonicContact OD1-CZ 2.75Å; D803-R805 PolarHBondContact OD1-N 3.41Å; D803-R805 IonicContact OD1-NE 3.29Å; D803-R805 PolarHBondContact OD1-NE 2.51Å; D803-R805 IonicContact OD1-NH2 3.43Å; D803-R805 IonicContact OD2-CZ 3.81Å; D803-R805 VanDerWaalsContact OD2-CZ 3.28Å; D803-R805 IonicContact OD2-NE 3.06Å; D803-R805 PolarHBondContact OD2-NE 3.39Å; D803-R805 VanDerWaalsContact OD2-NE 3.1Å; D803-R805 IonicContact OD2-NH2 3.43Å; D803-R805 PolarHBondContact OD2-NH2 3.25Å
806	Y	94	Very high	92.3	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-96	-7.4	-178.3	-63	-80	0	0	0	113.8	Y578 R671 D672 H675 L802 D803 P804 E808 V809 I810	Y578-Y806 AromaticContact CD1-CD1 3.95Å; Y578-Y806 HydrophobicContact CD1-CD1 3.95Å; Y578-Y806 HydrophobicContact CD1-CE1 4.26Å; Y578-Y806 AromaticContact CE1-CD1 3.62Å; Y578-Y806 HydrophobicContact CE1-CD1 3.62Å; Y578-Y806 AromaticContact CE1-CE1 3.66Å; Y578-Y806 HydrophobicContact CE1-CE1 3.66Å; Y578-Y806 HydrophobicContact CE2-CE1 4.34Å; Y578-Y806 AromaticContact CZ-CE1 3.7Å; R671-Y806 PolarHBondContact NE-OH 2.86Å; R671-Y806 VanDerWaalsContact NE-OH 3.17Å; D672-Y806 WeakPolarHBondContact CA-OH 3.45Å; D672-Y806 PolarHBondContact OD1-OH 2.95Å; H675-Y806 HydrophobicContact CB-CE1 3.98Å; H675-Y806 AromaticContact CD2-CE1 3.89Å; H675-Y806 AromaticContact CE1-CD1 3.67Å; H675-Y806 AromaticContact CE1-CE1 3.98Å; H675-Y806 AromaticContact CG-CE1 3.53Å; H675-Y806 AromaticContact ND1-CD1 3.73Å; H675-Y806 AromaticContact ND1-CE1 3.6Å; H675-Y806 AromaticContact NE2-CD1 3.9Å; L802-Y806 HydrophobicContact CD1-CD2 4.36Å; L802-Y806 HydrophobicContact CD1-CG 4.39Å; D803-Y806 HydrophobicContact CB-CD2 3.99Å; D803-Y806 HydrophobicContact CB-CE2 4.33Å; D803-Y806 PolarHBondContact O-N 3.43Å; P804-Y806 PolarHBondContact O-N 2.87Å; P804-Y806 VanDerWaalsContact O-N 3.13Å; Y806-E808 VanDerWaalsContact C-N 3.3Å; Y806-E808 PolarHBondContact O-N 3.49Å; Y806-V809 PolarHBondContact O-N 2.76Å; Y806-I810 PolarHBondContact O-N 2.92Å
807	H	93.3	Very high	92.2	Very high	43 Å²	43	62.9 Å²	62.9	20%	0.199	29%	0.291	C	S	.	.	H	α-helix	trans	-60.3	-39.3	-171.9	-75.7	-169	0	0	0	112.1	L802 D803 P804 V809 I810 F811	L802-H807 PolarHBondContact O-NE2 2.9Å; D803-H807 PolarHBondContact O-CD2 2.99Å; P804-H807 WeakPolarHBondContact O-CB 3.37Å; P804-H807 PolarHBondContact O-N 3.14Å; P804-H807 VanDerWaalsContact O-N 3.1Å; H807-V809 PolarHBondContact O-N 2.83Å; H807-I810 PolarHBondContact O-N 2.83Å; H807-F811 HydrophobicContact CB-CD2 3.83Å; H807-F811 HydrophobicContact CB-CE2 4.24Å; H807-F811 AromaticContact CG-CE2 3.9Å; H807-F811 VanDerWaalsContact O-CB 3.28Å; H807-F811 WeakPolarHBondContact O-CB 3.45Å; H807-F811 WeakPolarHBondContact O-CD2 3.26Å; H807-F811 PolarHBondContact O-N 3.17Å
808	E	89.7	Confident	91.9	Very high	135 Å²	135	64.1 Å²	64.1	63%	0.631	30%	0.299	S	S	*	.	H	α-helix	trans	-58.5	-47.4	-178	-170.8	-171.7	161.3	0	0	112.8	Y806 R812	Y806-E808 VanDerWaalsContact C-N 3.3Å; Y806-E808 PolarHBondContact O-N 3.49Å; E808-R812 WeakPolarHBondContact O-CB 3.44Å; E808-R812 PolarHBondContact O-N 3.27Å; E808-R812 IonicContact OE1-NH2 2.85Å; E808-R812 PolarHBondContact OE1-NH2 2.87Å
809	V	86.8	Confident	91.5	Very high	51 Å²	51	70.8 Å²	70.8	31%	0.309	33%	0.33	S	S	.	.	H	α-helix	trans	-69.6	-45.9	-177.1	178.8	0	0	0	0	110.5	Y806 H807	Y806-V809 PolarHBondContact O-N 2.76Å; H807-V809 PolarHBondContact O-N 2.83Å
810	I	90.6	Very high	91.1	Very high	20 Å²	20	68.3 Å²	68.3	10%	0.103	32%	0.323	C	S	.	.	H	α-helix	trans	-73.6	-48.1	-175	-64.7	-55.7	0	0	0	111.7	M577 I798 L802 Y806 H807 R812 R813 I814	M577-I810 HydrophobicContact CG-CD1 3.74Å; M577-I810 HydrophobicContact CG-CG1 4.35Å; M577-I810 HydrophobicContact SD-CD1 4.08Å; M577-I810 HydrophobicContact SD-CG1 4.2Å; M577-I810 HydrophobicContact SD-CG2 3.54Å; M577-I810 VanDerWaalsContact SD-CG2 3.54Å; I798-I810 HydrophobicContact CG2-CG2 4Å; L802-I810 HydrophobicContact CD2-CB 4.02Å; L802-I810 HydrophobicContact CD2-CG1 3.74Å; L802-I810 HydrophobicContact CD2-CG2 4.17Å; Y806-I810 PolarHBondContact O-N 2.92Å; H807-I810 PolarHBondContact O-N 2.83Å; I810-R812 VanDerWaalsContact C-N 3.28Å; I810-R812 PolarHBondContact O-N 2.92Å; I810-R813 PolarHBondContact O-N 3.3Å; I810-R813 VanDerWaalsContact O-N 3.1Å; I810-I814 HydrophobicContact CG2-CD1 3.7Å; I810-I814 HydrophobicContact CG2-CG1 4.29Å; I810-I814 WeakPolarHBondContact O-CG1 3.31Å; I810-I814 PolarHBondContact O-N 3.4Å
811	F	93.2	Very high	90.7	Very high	35 Å²	35	62.6 Å²	62.6	15%	0.154	30%	0.302	C	S	.	.	H	α-helix	trans	-70	-26.6	-177.4	-78.6	-80	0	0	0	112.7	Q795 I798 R799 H807 R813 I814 E815	Q795-F811 HydrophobicContact CB-CE1 4.22Å; I798-F811 HydrophobicContact CB-CZ 4.49Å; I798-F811 HydrophobicContact CG2-CE2 4.14Å; I798-F811 HydrophobicContact CG2-CZ 3.91Å; R799-F811 HydrophobicContact CB-CE2 4.31Å; R799-F811 HydrophobicContact CB-CZ 3.64Å; R799-F811 HydrophobicContact CG-CE2 4.49Å; R799-F811 HydrophobicContact CG-CZ 4.15Å; R799-F811 VanDerWaalsContact NH2-CE1 3.31Å; H807-F811 HydrophobicContact CB-CD2 3.83Å; H807-F811 HydrophobicContact CB-CE2 4.24Å; H807-F811 AromaticContact CG-CE2 3.9Å; H807-F811 VanDerWaalsContact O-CB 3.28Å; H807-F811 WeakPolarHBondContact O-CB 3.45Å; H807-F811 WeakPolarHBondContact O-CD2 3.26Å; H807-F811 PolarHBondContact O-N 3.17Å; F811-R813 VanDerWaalsContact C-N 3.34Å; F811-I814 HydrophobicContact CD1-CD1 4.16Å; F811-I814 HydrophobicContact CE1-CD1 4.16Å; F811-I814 PolarHBondContact O-N 2.9Å; F811-E815 VanDerWaalsContact O-CB 3.3Å; F811-E815 WeakPolarHBondContact O-CB 3.16Å; F811-E815 PolarHBondContact O-N 2.91Å
812	R	90.2	Very high	90.6	Very high	142 Å²	142	58.8 Å²	58.8	54%	0.536	28%	0.282	S	S	.	.	H	α-helix	trans	-60.8	-42.7	169	-173.4	-172.7	-58	-175.1	1.3	111.7	E808 I810 Q816	E808-R812 WeakPolarHBondContact O-CB 3.44Å; E808-R812 PolarHBondContact O-N 3.27Å; E808-R812 IonicContact OE1-NH2 2.85Å; E808-R812 PolarHBondContact OE1-NH2 2.87Å; I810-R812 VanDerWaalsContact C-N 3.28Å; I810-R812 PolarHBondContact O-N 2.92Å; R812-Q816 WeakPolarHBondContact O-CG 3.28Å; R812-Q816 PolarHBondContact O-N 2.8Å
813	R	89.9	Confident	90.5	Very high	50 Å²	50	58.4 Å²	58.4	19%	0.189	28%	0.28	C	S	.	.	H	α-helix	trans	-69.9	-43.3	176.2	-177.9	62.5	172.1	-154.9	2.2	111.5	P750 T752 D788 I810 F811 E815 Q816 L817	P750-R813 PolarHBondContact O-NH1 2.89Å; T752-R813 PolarHBondContact O-NH1 3.17Å; T752-R813 PolarHBondContact O-NH2 3.44Å; D788-R813 IonicContact OD2-CZ 2.65Å; D788-R813 IonicContact OD2-NE 3.97Å; D788-R813 PolarHBondContact OD2-NE 3.44Å; D788-R813 IonicContact OD2-NH2 3.77Å; D788-R813 PolarHBondContact OD2-NH2 2.6Å; I810-R813 PolarHBondContact O-N 3.3Å; I810-R813 VanDerWaalsContact O-N 3.1Å; F811-R813 VanDerWaalsContact C-N 3.34Å; R813-E815 VanDerWaalsContact C-N 3.32Å; R813-E815 PolarHBondContact O-N 2.59Å; R813-Q816 PolarHBondContact O-N 2.98Å; R813-L817 HydrophobicContact CG-CD1 4.01Å; R813-L817 HydrophobicContact CG-CG 4.48Å; R813-L817 WeakPolarHBondContact O-CG 3.36Å; R813-L817 PolarHBondContact O-N 3.39Å
814	I	92	Very high	90.4	Very high	4 Å²	4	55.8 Å²	55.8	2%	0.021	27%	0.266	C	S	.	.	H	α-helix	trans	-59.3	-43.8	176.9	-70.1	173.7	0	0	0	111	L791 P792 Q795 I798 I810 F811 Q816 L817 D818	L791-I814 HydrophobicContact CB-CD1 4.47Å; L791-I814 HydrophobicContact CB-CG1 4.1Å; P792-I814 HydrophobicContact CB-CG2 4.31Å; P792-I814 HydrophobicContact CG-CG2 4.26Å; Q795-I814 HydrophobicContact CB-CG2 4.25Å; I798-I814 HydrophobicContact CD1-CD1 3.72Å; I798-I814 HydrophobicContact CG2-CD1 4.21Å; I810-I814 HydrophobicContact CG2-CD1 3.7Å; I810-I814 HydrophobicContact CG2-CG1 4.29Å; I810-I814 WeakPolarHBondContact O-CG1 3.31Å; I810-I814 PolarHBondContact O-N 3.4Å; F811-I814 HydrophobicContact CD1-CD1 4.16Å; F811-I814 HydrophobicContact CE1-CD1 4.16Å; F811-I814 PolarHBondContact O-N 2.9Å; I814-Q816 PolarHBondContact O-N 3.31Å; I814-L817 PolarHBondContact O-N 3.4Å; I814-D818 WeakPolarHBondContact O-CB 3.42Å; I814-D818 PolarHBondContact O-N 3.32Å
815	E	91.2	Very high	90.3	Very high	112 Å²	112	51.2 Å²	51.2	52%	0.523	24%	0.236	S	C	.	.	H	α-helix	trans	-61.2	-43.3	178.4	-175.6	179.5	-173.9	0	0	111.8	F811 R813 D818 Q819	F811-E815 VanDerWaalsContact O-CB 3.3Å; F811-E815 WeakPolarHBondContact O-CB 3.16Å; F811-E815 PolarHBondContact O-N 2.91Å; R813-E815 VanDerWaalsContact C-N 3.32Å; R813-E815 PolarHBondContact O-N 2.59Å; E815-D818 PolarHBondContact O-N 3.19Å; E815-Q819 VanDerWaalsContact CG-NE2 3.33Å; E815-Q819 WeakPolarHBondContact O-CG 2.92Å; E815-Q819 PolarHBondContact O-N 3.4Å; E815-Q819 VanDerWaalsContact O-N 3.12Å; E815-Q819 PolarHBondContact OE1-NE2 3.08Å; E815-Q819 VanDerWaalsContact OE1-NE2 3.15Å
816	Q	89.2	Confident	90.2	Very high	56 Å²	56	46.7 Å²	46.7	26%	0.262	22%	0.219	S	C	.	.	H	α-helix	trans	-61.6	-45.1	174.1	-68.9	178.8	10.6	0	0	111.9	F529 R812 R813 I814 D818 Q819 E820	F529-Q816 HydrophobicContact CE2-CB 4.19Å; F529-Q816 HydrophobicContact CZ-CB 4.4Å; R812-Q816 WeakPolarHBondContact O-CG 3.28Å; R812-Q816 PolarHBondContact O-N 2.8Å; R813-Q816 PolarHBondContact O-N 2.98Å; I814-Q816 PolarHBondContact O-N 3.31Å; Q816-D818 VanDerWaalsContact C-N 3.3Å; Q816-D818 PolarHBondContact O-N 2.77Å; Q816-Q819 PolarHBondContact O-N 2.85Å; Q816-E820 WeakPolarHBondContact O-CB 3.19Å; Q816-E820 WeakPolarHBondContact O-CG 3.47Å; Q816-E820 PolarHBondContact O-N 2.91Å
817	L	90.4	Very high	90.1	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-65.7	-32	178.7	-70.3	170	0	0	0	112.2	F529 D788 F789 P792 R813 I814 K822	F529-L817 HydrophobicContact CD1-CD2 4.34Å; F529-L817 HydrophobicContact CD2-CD2 3.66Å; F529-L817 HydrophobicContact CE1-CD2 4.39Å; F529-L817 HydrophobicContact CE2-CD2 3.64Å; F529-L817 HydrophobicContact CE2-CG 4.23Å; F529-L817 HydrophobicContact CG-CD2 4Å; F529-L817 HydrophobicContact CZ-CD2 4.01Å; D788-L817 HydrophobicContact CB-CD1 4.27Å; D788-L817 VanDerWaalsContact O-CD1 3.28Å; D788-L817 WeakPolarHBondContact O-CD1 3.27Å; F789-L817 HydrophobicContact CD1-CD2 3.74Å; F789-L817 HydrophobicContact CE1-CD2 4.27Å; P792-L817 HydrophobicContact CG-CB 3.7Å; R813-L817 HydrophobicContact CG-CD1 4.01Å; R813-L817 HydrophobicContact CG-CG 4.48Å; R813-L817 WeakPolarHBondContact O-CG 3.36Å; R813-L817 PolarHBondContact O-N 3.39Å; I814-L817 PolarHBondContact O-N 3.4Å; L817-K822 HydrophobicContact CB-CD 4.5Å; L817-K822 HydrophobicContact CD2-CD 4.05Å; L817-K822 HydrophobicContact CD2-CG 3.94Å; L817-K822 VanDerWaalsContact O-CD 3.26Å; L817-K822 WeakPolarHBondContact O-CD 3.45Å; L817-K822 WeakPolarHBondContact O-CE 3.28Å; L817-K822 PolarHBondContact O-NZ 3.08Å
818	D	88.5	Confident	89.8	Confident	74 Å²	74	46.1 Å²	46.1	40%	0.396	22%	0.216	S	C	.	.	H	α-helix	trans	-74.3	-38.4	179.5	-164.5	48.8	0	0	0	112.2	P792 I814 E815 Q816	P792-D818 HydrophobicContact CB-CB 4.02Å; P792-D818 HydrophobicContact CG-CB 4.18Å; I814-D818 WeakPolarHBondContact O-CB 3.42Å; I814-D818 PolarHBondContact O-N 3.32Å; E815-D818 PolarHBondContact O-N 3.19Å; Q816-D818 VanDerWaalsContact C-N 3.3Å; Q816-D818 PolarHBondContact O-N 2.77Å
819	Q	85.8	Confident	89.8	Confident	141 Å²	141	39.7 Å²	39.7	66%	0.659	19%	0.186	S	C	*	.	H	α-helix	trans	-80.1	-22.6	-176.7	-68.1	174.8	7.6	0	0	113.9	E815 Q816	E815-Q819 VanDerWaalsContact CG-NE2 3.33Å; E815-Q819 WeakPolarHBondContact O-CG 2.92Å; E815-Q819 PolarHBondContact O-N 3.4Å; E815-Q819 VanDerWaalsContact O-N 3.12Å; E815-Q819 PolarHBondContact OE1-NE2 3.08Å; E815-Q819 VanDerWaalsContact OE1-NE2 3.15Å; Q816-Q819 PolarHBondContact O-N 2.85Å
820	E	86.6	Confident	89.8	Confident	44 Å²	44	38.4 Å²	38.4	21%	0.206	18%	0.177	C	C	.	.	S	Bend	trans	-108	152.9	-172.8	-62.3	-174.1	-139.2	0	0	112.8	R753 Q816 K822	R753-E820 IonicContact CZ-OE1 2.91Å; R753-E820 IonicContact CZ-OE2 2.7Å; R753-E820 IonicContact NH2-OE1 3.78Å; R753-E820 PolarHBondContact NH2-OE1 3.03Å; R753-E820 IonicContact NH2-OE2 3.18Å; R753-E820 PolarHBondContact NH2-OE2 3.45Å; Q816-E820 WeakPolarHBondContact O-CB 3.19Å; Q816-E820 WeakPolarHBondContact O-CG 3.47Å; Q816-E820 PolarHBondContact O-N 2.91Å; E820-K822 VanDerWaalsContact O-CD 3.29Å; E820-K822 WeakPolarHBondContact O-CD 2.98Å; E820-K822 PolarHBondContact O-NZ 2.96Å
821	V	84.4	Confident	89.5	Confident	59 Å²	59	39 Å²	39	36%	0.358	18%	0.181	S	C	.	.			trans	-79.4	126.4	170.5	175.8	0	0	0	0	108.8	A489 G853 R855	A489-V821 HydrophobicContact CB-CG1 3.85Å; V821-G853 WeakPolarHBondContact CA-O 3.2Å; V821-G853 WeakPolarHBondContact CG1-O 3.48Å; V821-R855 HydrophobicContact CG1-CB 4.37Å
822	K	90.1	Very high	88.8	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	145.4	175.2	-65.6	68	57.2	-169.6	0	109.4	F529 F789 L817 E820 F852 G853 I854 R855	F529-K822 HydrophobicContact CB-CB 4.16Å; F529-K822 HydrophobicContact CB-CG 3.76Å; F529-K822 HydrophobicContact CD2-CD 4.49Å; F529-K822 HydrophobicContact CD2-CG 4.26Å; F529-K822 HydrophobicContact CG-CG 4.3Å; F529-K822 CarbonylContact O-C 3.57Å; F789-K822 HydrophobicContact CB-CB 4.35Å; F789-K822 HydrophobicContact CB-CG 4Å; F789-K822 HydrophobicContact CD1-CB 4.4Å; F789-K822 HydrophobicContact CD1-CG 3.79Å; F789-K822 HydrophobicContact CD2-CB 3.52Å; F789-K822 HydrophobicContact CD2-CG 3.82Å; F789-K822 HydrophobicContact CE1-CG 4.2Å; F789-K822 HydrophobicContact CE2-CB 3.8Å; F789-K822 HydrophobicContact CE2-CG 4.22Å; F789-K822 HydrophobicContact CG-CB 3.86Å; F789-K822 HydrophobicContact CG-CG 3.61Å; F789-K822 HydrophobicContact CZ-CB 4.37Å; F789-K822 HydrophobicContact CZ-CG 4.4Å; L817-K822 HydrophobicContact CB-CD 4.5Å; L817-K822 HydrophobicContact CD2-CD 4.05Å; L817-K822 HydrophobicContact CD2-CG 3.94Å; L817-K822 VanDerWaalsContact O-CD 3.26Å; L817-K822 WeakPolarHBondContact O-CD 3.45Å; L817-K822 WeakPolarHBondContact O-CE 3.28Å; L817-K822 PolarHBondContact O-NZ 3.08Å; E820-K822 VanDerWaalsContact O-CD 3.29Å; E820-K822 WeakPolarHBondContact O-CD 2.98Å; E820-K822 PolarHBondContact O-NZ 2.96Å; K822-F852 PolarHBondContact NZ-O 3.11Å; K822-G853 PolarHBondContact N-O 2.75Å; K822-G853 VanDerWaalsContact N-O 3.12Å; K822-I854 HydrophobicContact CB-CG1 4.41Å; K822-I854 CarbonylContact O-C 3.46Å; K822-I854 WeakPolarHBondContact O-CA 3.48Å; K822-R855 PolarHBondContact O-N 3.37Å
823	T	92	Very high	88.1	Confident	1 Å²	1	34.7 Å²	34.7	1%	0.006	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	130.2	176.3	-62	0	0	0	0	110.8	Q519 F529 I530 A531 V825 R855	Q519-T823 VanDerWaalsContact CD-OG1 3.27Å; Q519-T823 PolarHBondContact NE2-OG1 2.88Å; Q519-T823 PolarHBondContact OE1-OG1 3.47Å; F529-T823 PolarHBondContact O-N 3.26Å; I530-T823 CarbonylContact C-O 3.58Å; I530-T823 WeakPolarHBondContact CA-O 3Å; A531-T823 PolarHBondContact N-O 2.86Å; T823-V825 HydrophobicContact CG2-CG2 3.89Å; T823-R855 CarbonylContact C-O 3.55Å; T823-R855 VanDerWaalsContact CA-O 3.26Å; T823-R855 WeakPolarHBondContact CA-O 3.27Å
824	K	91.7	Very high	87.3	Confident	3 Å²	3	34.9 Å²	34.9	1%	0.013	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	127.7	166.2	-69.8	-164.5	172.3	-169.5	0	109.8	A531 G786 F789 Y826 I854 R855 T856 V857	A531-K824 HydrophobicContact CB-CG 4.24Å; A531-K824 CarbonylContact O-C 3.54Å; A531-K824 WeakPolarHBondContact O-CA 3.26Å; G786-K824 WeakPolarHBondContact O-CE 3.42Å; G786-K824 PolarHBondContact O-NZ 3.19Å; F789-K824 HydrophobicContact CD2-CD 4.45Å; F789-K824 HydrophobicContact CD2-CG 4Å; F789-K824 HydrophobicContact CE2-CG 4.08Å; K824-Y826 HydrophobicContact CB-CE2 3.98Å; K824-Y826 HydrophobicContact CD-CE2 4.28Å; K824-I854 HydrophobicContact CG-CG2 4.45Å; K824-R855 PolarHBondContact N-O 3.33Å; K824-T856 CarbonylContact O-C 3.49Å; K824-T856 WeakPolarHBondContact O-CA 3.32Å; K824-V857 PolarHBondContact O-N 3.49Å
825	V	92.9	Very high	86.4	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	128.7	175.5	-174.7	0	0	0	0	108.5	I512 A531 Y532 I533 T823 V857	I512-V825 HydrophobicContact CG2-CG1 3.58Å; I512-V825 HydrophobicContact CG2-CG2 4.41Å; A531-V825 PolarHBondContact O-N 3.49Å; Y532-V825 HydrophobicContact CD1-CB 4.07Å; Y532-V825 HydrophobicContact CD1-CG1 3.98Å; Y532-V825 HydrophobicContact CD2-CB 3.89Å; Y532-V825 HydrophobicContact CD2-CG1 4.02Å; Y532-V825 HydrophobicContact CD2-CG2 3.98Å; Y532-V825 HydrophobicContact CE1-CB 4.32Å; Y532-V825 HydrophobicContact CE1-CG1 3.71Å; Y532-V825 HydrophobicContact CE2-CB 4.16Å; Y532-V825 HydrophobicContact CE2-CG1 3.76Å; Y532-V825 HydrophobicContact CE2-CG2 4.28Å; Y532-V825 HydrophobicContact CG-CB 3.84Å; Y532-V825 HydrophobicContact CG-CG1 4.12Å; Y532-V825 HydrophobicContact CG-CG2 4.36Å; I533-V825 WeakPolarHBondContact CD1-O 3.43Å; I533-V825 PolarHBondContact N-O 2.84Å; T823-V825 HydrophobicContact CG2-CG2 3.89Å; V825-V857 WeakPolarHBondContact CA-O 3.33Å; V825-V857 HydrophobicContact CB-CB 4.43Å; V825-V857 HydrophobicContact CG1-CB 4.21Å; V825-V857 HydrophobicContact CG1-CG1 4.39Å; V825-V857 HydrophobicContact CG2-CB 4.14Å; V825-V857 HydrophobicContact CG2-CG2 4.3Å
826	Y	92	Very high	85.6	Confident	11 Å²	11	34.2 Å²	34.2	4%	0.043	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	102.5	172.2	-67.1	-90.1	0	0	0	108.7	I533 Y778 K824 L829 L842 V857 L858 S859	I533-Y826 HydrophobicContact CB-CD1 4Å; I533-Y826 HydrophobicContact CB-CE1 4.31Å; I533-Y826 HydrophobicContact CD1-CD1 4.1Å; I533-Y826 HydrophobicContact CD1-CE1 3.79Å; I533-Y826 HydrophobicContact CD1-CE2 4.48Å; I533-Y826 HydrophobicContact CG1-CD1 4.24Å; I533-Y826 HydrophobicContact CG1-CE1 4.05Å; I533-Y826 HydrophobicContact CG2-CD1 4.45Å; Y778-Y826 HydrophobicContact CD1-CD1 4.04Å; K824-Y826 HydrophobicContact CB-CE2 3.98Å; K824-Y826 HydrophobicContact CD-CE2 4.28Å; Y826-L829 VanDerWaalsContact CB-CD1 3.5Å; Y826-L829 HydrophobicContact CD1-CD2 4.31Å; Y826-L829 HydrophobicContact CG-CD1 4.34Å; Y826-L829 HydrophobicContact CG-CD2 4.43Å; Y826-L842 HydrophobicContact CD2-CD2 3.94Å; Y826-L842 HydrophobicContact CE1-CD2 4.5Å; Y826-L842 HydrophobicContact CE2-CD2 3.48Å; Y826-L842 VanDerWaalsContact CE2-CD2 3.48Å; Y826-V857 PolarHBondContact N-O 2.83Å; Y826-L858 HydrophobicContact CD2-CD2 3.95Å; Y826-L858 HydrophobicContact CG-CD2 4.41Å; Y826-S859 PolarHBondContact O-N 2.92Å
827	D	90.6	Very high	85	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.178	C	C	.	.			trans	-86.3	154.4	177.8	-154.2	-7.9	0	0	0	111.3	S509 Y532 I533 Y778 L829 S859	S509-D827 PolarHBondContact OG-OD2 2.96Å; Y532-D827 HydrophobicContact CE1-CB 4.03Å; I533-D827 PolarHBondContact O-N 3.08Å; Y778-D827 PolarHBondContact OH-O 3.41Å; D827-L829 VanDerWaalsContact C-N 3.26Å; D827-L829 PolarHBondContact O-N 3.22Å; D827-S859 VanDerWaalsContact OD1-CB 3.27Å; D827-S859 WeakPolarHBondContact OD1-CB 3.09Å; D827-S859 PolarHBondContact OD1-OG 3.07Å
828	E	88.8	Confident	84.2	Confident	30 Å²	30	33.3 Å²	33.3	14%	0.14	18%	0.178	C	C	.	.	S	Bend	trans	49.1	36.2	175.5	-64.3	-69.2	117.3	0	0	115.5	K508 K535 Y778 H830 N831 S859 Q861	K508-E828 IonicContact NZ-OE1 3.13Å; K508-E828 PolarHBondContact NZ-OE1 2.74Å; K535-E828 HydrophobicContact CB-CB 4.31Å; Y778-E828 PolarHBondContact OH-O 2.94Å; Y778-E828 VanDerWaalsContact OH-O 3.1Å; E828-H830 PolarHBondContact O-N 3.04Å; E828-H830 VanDerWaalsContact O-N 3.08Å; E828-H830 PolarHBondContact O-ND1 3.29Å; E828-H830 IonicContact OE2-CE1 2.72Å; E828-H830 PolarHBondContact OE2-CE1 2.92Å; E828-H830 IonicContact OE2-ND1 3.36Å; E828-H830 IonicContact OE2-NE2 3.51Å; E828-N831 PolarHBondContact O-N 3.32Å; E828-N831 VanDerWaalsContact O-N 3.16Å; E828-N831 PolarHBondContact O-ND2 2.95Å; E828-S859 PolarHBondContact N-O 3.41Å; E828-Q861 PolarHBondContact OE2-NE2 3.13Å
829	L	89.1	Confident	83.6	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-60.9	-21.9	-176.5	-86.3	175.6	0	0	0	115.4	Y778 Y826 D827 N831 A832 I838 W839 L842 L858 S859 T860	Y778-L829 HydrophobicContact CD1-CD2 4.01Å; Y778-L829 HydrophobicContact CD2-CD2 4.23Å; Y778-L829 HydrophobicContact CE1-CD2 4.02Å; Y778-L829 HydrophobicContact CE2-CD2 4.21Å; Y778-L829 HydrophobicContact CG-CD2 4.16Å; Y826-L829 VanDerWaalsContact CB-CD1 3.5Å; Y826-L829 HydrophobicContact CD1-CD2 4.31Å; Y826-L829 HydrophobicContact CG-CD1 4.34Å; Y826-L829 HydrophobicContact CG-CD2 4.43Å; D827-L829 VanDerWaalsContact C-N 3.26Å; D827-L829 PolarHBondContact O-N 3.22Å; L829-N831 PolarHBondContact O-N 3.17Å; L829-A832 PolarHBondContact O-N 3.42Å; L829-I838 HydrophobicContact CD2-CD1 3.82Å; L829-W839 HydrophobicContact CB-CH2 4.02Å; L829-W839 HydrophobicContact CB-CZ2 4.28Å; L829-W839 HydrophobicContact CD1-CH2 3.91Å; L829-W839 HydrophobicContact CD1-CZ3 4.08Å; L829-L842 HydrophobicContact CD1-CD1 4.13Å; L829-L858 HydrophobicContact CD1-CB 4.13Å; L829-L858 HydrophobicContact CD1-CD2 3.68Å; L829-L858 HydrophobicContact CD1-CG 4.43Å; L829-S859 PolarHBondContact N-O 3.08Å; L829-T860 HydrophobicContact CB-CG2 3.99Å
830	H	85.9	Confident	82.9	Confident	24 Å²	24	29.3 Å²	29.3	11%	0.111	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-58.6	-15.4	175.1	70.1	-64.2	0	0	0	113.6	E828 A832 K833 T860 Q861 H865	E828-H830 PolarHBondContact O-N 3.04Å; E828-H830 VanDerWaalsContact O-N 3.08Å; E828-H830 PolarHBondContact O-ND1 3.29Å; E828-H830 IonicContact OE2-CE1 2.72Å; E828-H830 PolarHBondContact OE2-CE1 2.92Å; E828-H830 IonicContact OE2-ND1 3.36Å; E828-H830 IonicContact OE2-NE2 3.51Å; H830-A832 PolarHBondContact O-N 2.63Å; H830-K833 WeakPolarHBondContact O-CB 3.39Å; H830-K833 PolarHBondContact O-N 3.26Å; H830-K833 VanDerWaalsContact O-N 3.17Å; H830-T860 HydrophobicContact CB-CG2 4.43Å; H830-Q861 PolarHBondContact CE1-NE2 3.15Å; H830-Q861 PolarHBondContact NE2-NE2 3.01Å; H830-H865 HydrophobicContact CB-CB 4.07Å; H830-H865 VanDerWaalsContact CB-ND1 3.34Å; H830-H865 WeakPolarHBondContact CB-ND1 3.47Å; H830-H865 AromaticContact CG-ND1 3.99Å
831	N	85.1	Confident	82	Confident	33 Å²	33	28.3 Å²	28.3	18%	0.176	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-65.5	-21.7	170.7	-71.3	-79.5	0	0	0	113.1	K535 T774 E828 L829	K535-N831 HydrophobicContact CD-CB 4.25Å; K535-N831 WeakPolarHBondContact CD-ND2 3.41Å; K535-N831 PolarHBondContact NZ-OD1 2.85Å; T774-N831 HydrophobicContact CG2-CB 3.91Å; E828-N831 PolarHBondContact O-N 3.32Å; E828-N831 VanDerWaalsContact O-N 3.16Å; E828-N831 PolarHBondContact O-ND2 2.95Å; L829-N831 PolarHBondContact O-N 3.17Å
832	A	77.9	Confident	81.3	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-96.7	19.2	173.3	0	0	0	0	0	112.8	Y778 L829 H830 G834 I835 I838	Y778-A832 HydrophobicContact CD2-CB 4.24Å; Y778-A832 HydrophobicContact CE2-CB 4.43Å; L829-A832 PolarHBondContact O-N 3.42Å; H830-A832 PolarHBondContact O-N 2.63Å; A832-G834 PolarHBondContact O-N 3.05Å; A832-I835 WeakPolarHBondContact O-CB 3.25Å; A832-I835 PolarHBondContact O-N 2.82Å; A832-I835 VanDerWaalsContact O-N 3.16Å; A832-I838 HydrophobicContact CB-CD1 4.15Å; A832-I838 HydrophobicContact CB-CG2 4.27Å
833	K	76.4	Confident	80	Confident	87 Å²	87	28.5 Å²	28.5	38%	0.378	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	128.5	-177.1	-176.8	-179.9	-175	179.7	0	112.3	R771 H830 H865	R771-K833 WeakPolarHBondContact CD-O 3.45Å; R771-K833 PolarHBondContact NH1-O 3.08Å; H830-K833 WeakPolarHBondContact O-CB 3.39Å; H830-K833 PolarHBondContact O-N 3.26Å; H830-K833 VanDerWaalsContact O-N 3.17Å; K833-H865 PolarHBondContact NZ-CD2 2.92Å; K833-H865 PolarHBondContact NZ-NE2 3.3Å
834	G	72	Confident	78.3	Confident	53 Å²	53	31.8 Å²	31.8	55%	0.546	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.4	-4.6	-178.9	0	0	0	0	0	114.1	A832	A832-G834 PolarHBondContact O-N 3.05Å
835	I	74.5	Confident	76.7	Confident	12 Å²	12	34 Å²	34	6%	0.062	19%	0.185	C	C	.	.			trans	-97.6	102.9	173.8	-55.9	-58.5	0	0	0	107.8	R771 L772 A832 F837 I838	R771-I835 HydrophobicContact CB-CD1 4.49Å; R771-I835 HydrophobicContact CB-CG1 4.18Å; L772-I835 HydrophobicContact CB-CD1 4.03Å; L772-I835 HydrophobicContact CD1-CD1 4.29Å; A832-I835 WeakPolarHBondContact O-CB 3.25Å; A832-I835 PolarHBondContact O-N 2.82Å; A832-I835 VanDerWaalsContact O-N 3.16Å; I835-F837 HydrophobicContact CG2-CD1 3.32Å; I835-F837 HydrophobicContact CG2-CE1 3Å; I835-F837 HydrophobicContact CG2-CE2 4.22Å; I835-F837 HydrophobicContact CG2-CG 4.09Å; I835-F837 HydrophobicContact CG2-CZ 3.5Å; I835-I838 WeakPolarHBondContact O-CG2 3.5Å
836	N	73.1	Confident	74.9	Confident	91 Å²	91	34.7 Å²	34.7	49%	0.487	19%	0.188	S	C	.	.	H	α-helix	trans	-74.6	-30.5	-170.7	-70.8	-14.3	0	0	0	113.5	I838 W839 E840	N836-I838 PolarHBondContact O-N 2.64Å; N836-I838 VanDerWaalsContact O-N 3.15Å; N836-W839 PolarHBondContact O-N 3.16Å; N836-E840 WeakPolarHBondContact O-CG 3.27Å; N836-E840 PolarHBondContact O-N 2.94Å
837	F	76.2	Confident	73.2	Confident	35 Å²	35	39.9 Å²	39.9	15%	0.154	22%	0.216	C	C	.	.	H	α-helix	trans	-60.3	-31.7	-174.4	72.7	-108.3	0	0	0	113.3	A597 L772 I776 L779 I835 W839 E840 A841	A597-F837 HydrophobicContact CB-CD1 4.11Å; A597-F837 HydrophobicContact CB-CE1 3.58Å; A597-F837 HydrophobicContact CB-CE2 4.35Å; A597-F837 HydrophobicContact CB-CZ 3.74Å; L772-F837 HydrophobicContact CD1-CE1 3.74Å; L772-F837 HydrophobicContact CD1-CZ 4.39Å; I776-F837 HydrophobicContact CG1-CZ 4.19Å; L779-F837 HydrophobicContact CD1-CD2 3.57Å; L779-F837 HydrophobicContact CD1-CE2 3.27Å; L779-F837 HydrophobicContact CD1-CZ 4.33Å; L779-F837 HydrophobicContact CG-CD2 4.21Å; L779-F837 HydrophobicContact CG-CE2 3.74Å; I835-F837 HydrophobicContact CG2-CD1 3.32Å; I835-F837 HydrophobicContact CG2-CE1 3Å; I835-F837 HydrophobicContact CG2-CE2 4.22Å; I835-F837 HydrophobicContact CG2-CG 4.09Å; I835-F837 HydrophobicContact CG2-CZ 3.5Å; F837-W839 VanDerWaalsContact C-N 3.34Å; F837-E840 PolarHBondContact O-N 3.01Å; F837-A841 VanDerWaalsContact O-CB 3.25Å; F837-A841 WeakPolarHBondContact O-CB 3.4Å; F837-A841 PolarHBondContact O-N 3.44Å
838	I	74.5	Confident	71.5	Confident	2 Å²	2	43.8 Å²	43.8	1%	0.01	23%	0.234	C	C	.	.	H	α-helix	trans	-67.3	-41	179.7	-167.9	178.2	0	0	0	110	Y778 L829 A832 I835 N836 A841 L842	Y778-I838 HydrophobicContact CD2-CD1 3.89Å; Y778-I838 HydrophobicContact CG-CD1 3.81Å; L829-I838 HydrophobicContact CD2-CD1 3.82Å; A832-I838 HydrophobicContact CB-CD1 4.15Å; A832-I838 HydrophobicContact CB-CG2 4.27Å; I835-I838 WeakPolarHBondContact O-CG2 3.5Å; N836-I838 PolarHBondContact O-N 2.64Å; N836-I838 VanDerWaalsContact O-N 3.15Å; I838-A841 PolarHBondContact O-N 2.7Å; I838-L842 HydrophobicContact CG1-CD1 4.35Å; I838-L842 WeakPolarHBondContact O-CB 3.38Å; I838-L842 WeakPolarHBondContact O-CG 3.32Å; I838-L842 PolarHBondContact O-N 2.92Å
839	W	76.5	Confident	70	Confident	19 Å²	19	42.9 Å²	42.9	7%	0.072	23%	0.23	C	C	.	.	H	α-helix	trans	-71.3	-40.5	177.3	-64	108.8	0	0	0	111.1	L829 N836 F837 A841 L842 D843 L858 T860 Y866 P867 V870	L829-W839 HydrophobicContact CB-CH2 4.02Å; L829-W839 HydrophobicContact CB-CZ2 4.28Å; L829-W839 HydrophobicContact CD1-CH2 3.91Å; L829-W839 HydrophobicContact CD1-CZ3 4.08Å; N836-W839 PolarHBondContact O-N 3.16Å; F837-W839 VanDerWaalsContact C-N 3.34Å; W839-A841 VanDerWaalsContact C-N 3.33Å; W839-A841 PolarHBondContact O-N 3.08Å; W839-L842 HydrophobicContact CE3-CD1 4.19Å; W839-L842 HydrophobicContact CZ3-CD1 4.43Å; W839-L842 CarbonylContact O-C 3.6Å; W839-L842 PolarHBondContact O-N 3.49Å; W839-D843 WeakPolarHBondContact O-CB 3.48Å; W839-D843 PolarHBondContact O-N 3.08Å; W839-L858 HydrophobicContact CZ3-CD1 4.31Å; W839-T860 HydrophobicContact CH2-CG2 4.21Å; W839-Y866 AromaticContact CH2-CD1 3.95Å; W839-Y866 HydrophobicContact CH2-CD1 3.95Å; W839-Y866 HydrophobicContact CH2-CE1 4.48Å; W839-Y866 HydrophobicContact CZ3-CD1 4.14Å; W839-P867 HydrophobicContact CB-CG 3.74Å; W839-P867 HydrophobicContact CD2-CG 3.38Å; W839-P867 VanDerWaalsContact CE3-CD 3.47Å; W839-P867 HydrophobicContact CE3-CG 3.65Å; W839-P867 HydrophobicContact CG-CG 3.42Å; W839-P867 VanDerWaalsContact CG-CG 3.42Å; W839-P867 HydrophobicContact CZ3-CG 4.41Å; W839-V870 HydrophobicContact CE3-CG2 4.24Å
840	E	70.4	Confident	68.3	Low	112 Å²	112	51.1 Å²	51.1	52%	0.523	26%	0.261	S	S	.	.	H	α-helix	trans	-62.4	-39.9	174	-70.1	170.4	-166.9	0	0	111.7	N836 F837 D843 T844	N836-E840 WeakPolarHBondContact O-CG 3.27Å; N836-E840 PolarHBondContact O-N 2.94Å; F837-E840 PolarHBondContact O-N 3.01Å; E840-D843 PolarHBondContact O-N 3.28Å; E840-T844 VanDerWaalsContact O-CB 3.27Å; E840-T844 WeakPolarHBondContact O-CB 3.45Å; E840-T844 PolarHBondContact O-N 2.94Å; E840-T844 PolarHBondContact O-OG1 3.13Å
841	A	68	Low	67	Low	23 Å²	23	58.6 Å²	58.6	19%	0.19	29%	0.293	C	S	.	.	H	α-helix	trans	-64.5	-43	174.3	0	0	0	0	0	111.3	L779 F837 I838 W839 Q845	L779-A841 HydrophobicContact CD2-CB 3.98Å; F837-A841 VanDerWaalsContact O-CB 3.25Å; F837-A841 WeakPolarHBondContact O-CB 3.4Å; F837-A841 PolarHBondContact O-N 3.44Å; I838-A841 PolarHBondContact O-N 2.7Å; W839-A841 VanDerWaalsContact C-N 3.33Å; W839-A841 PolarHBondContact O-N 3.08Å; A841-Q845 WeakPolarHBondContact O-CB 3.49Å; A841-Q845 WeakPolarHBondContact O-CG 3.4Å; A841-Q845 PolarHBondContact O-N 2.99Å
842	L	69	Low	66	Low	15 Å²	15	59.6 Å²	59.6	8%	0.079	30%	0.296	C	S	.	.	H	α-helix	trans	-68	-35.3	175.6	-69.8	171.2	0	0	0	112.7	Y826 L829 I838 W839 Q845 E846 L858	Y826-L842 HydrophobicContact CD2-CD2 3.94Å; Y826-L842 HydrophobicContact CE1-CD2 4.5Å; Y826-L842 HydrophobicContact CE2-CD2 3.48Å; Y826-L842 VanDerWaalsContact CE2-CD2 3.48Å; L829-L842 HydrophobicContact CD1-CD1 4.13Å; I838-L842 HydrophobicContact CG1-CD1 4.35Å; I838-L842 WeakPolarHBondContact O-CB 3.38Å; I838-L842 WeakPolarHBondContact O-CG 3.32Å; I838-L842 PolarHBondContact O-N 2.92Å; W839-L842 HydrophobicContact CE3-CD1 4.19Å; W839-L842 HydrophobicContact CZ3-CD1 4.43Å; W839-L842 CarbonylContact O-C 3.6Å; W839-L842 PolarHBondContact O-N 3.49Å; L842-Q845 WeakPolarHBondContact O-CB 3.29Å; L842-E846 WeakPolarHBondContact O-CB 3.41Å; L842-E846 PolarHBondContact O-N 2.93Å; L842-L858 HydrophobicContact CD1-CD2 4.15Å
843	D	63.5	Low	65.8	Low	47 Å²	47	60.7 Å²	60.7	25%	0.251	31%	0.308	S	S	.	.	H	α-helix	trans	-77.4	-41.1	-179.6	-168.1	31	0	0	0	111.7	W839 E840 Q845 E846 L847	W839-D843 WeakPolarHBondContact O-CB 3.48Å; W839-D843 PolarHBondContact O-N 3.08Å; E840-D843 PolarHBondContact O-N 3.28Å; D843-Q845 VanDerWaalsContact C-N 3.31Å; D843-Q845 PolarHBondContact O-N 2.83Å; D843-E846 WeakPolarHBondContact O-CA 3.19Å; D843-E846 VanDerWaalsContact O-CB 3.24Å; D843-E846 WeakPolarHBondContact O-CB 3.16Å; D843-E846 PolarHBondContact O-N 2.89Å; D843-L847 PolarHBondContact O-N 3.14Å
844	T	56.9	Low	66.2	Low	71 Å²	71	57 Å²	57	44%	0.436	29%	0.292	S	S	.	.	H	α-helix	trans	-61	-45	170.7	-52.4	0	0	0	0	109.9	E840 E846 L847 E848	E840-T844 VanDerWaalsContact O-CB 3.27Å; E840-T844 WeakPolarHBondContact O-CB 3.45Å; E840-T844 PolarHBondContact O-N 2.94Å; E840-T844 PolarHBondContact O-OG1 3.13Å; T844-E846 VanDerWaalsContact C-N 3.3Å; T844-E846 PolarHBondContact O-N 2.97Å; T844-L847 PolarHBondContact O-N 3.43Å; T844-E848 WeakPolarHBondContact O-CG 3.45Å; T844-E848 PolarHBondContact O-N 3.49Å
845	Q	56.9	Low	67	Low	49 Å²	49	54.5 Å²	54.5	23%	0.229	27%	0.266	C	S	.	.	H	α-helix	trans	-56	-45.2	169.7	-85.5	-178.4	14.6	0	0	111.2	A841 L842 D843 L847 E848 Q849	A841-Q845 WeakPolarHBondContact O-CB 3.49Å; A841-Q845 WeakPolarHBondContact O-CG 3.4Å; A841-Q845 PolarHBondContact O-N 2.99Å; L842-Q845 WeakPolarHBondContact O-CB 3.29Å; D843-Q845 VanDerWaalsContact C-N 3.31Å; D843-Q845 PolarHBondContact O-N 2.83Å; Q845-L847 PolarHBondContact O-N 3.45Å; Q845-E848 PolarHBondContact O-N 3.24Å; Q845-Q849 VanDerWaalsContact CB-NE2 3.31Å; Q845-Q849 WeakPolarHBondContact O-CA 3.47Å; Q845-Q849 WeakPolarHBondContact O-CB 3.49Å; Q845-Q849 VanDerWaalsContact O-CD 3.23Å; Q845-Q849 WeakPolarHBondContact O-CG 3.26Å; Q845-Q849 PolarHBondContact O-N 3.4Å
846	E	55.8	Low	67.7	Low	14 Å²	14	54.3 Å²	54.3	7%	0.065	27%	0.266	C	S	.	.	H	α-helix	trans	-60	-41.8	179.1	-156	-149.7	119.9	0	0	113.5	K495 L842 D843 T844 S873	K495-E846 IonicContact NZ-OE1 3.96Å; K495-E846 PolarHBondContact NZ-OE1 2.82Å; L842-E846 WeakPolarHBondContact O-CB 3.41Å; L842-E846 PolarHBondContact O-N 2.93Å; D843-E846 WeakPolarHBondContact O-CA 3.19Å; D843-E846 VanDerWaalsContact O-CB 3.24Å; D843-E846 WeakPolarHBondContact O-CB 3.16Å; D843-E846 PolarHBondContact O-N 2.89Å; T844-E846 VanDerWaalsContact C-N 3.3Å; T844-E846 PolarHBondContact O-N 2.97Å; E846-S873 WeakPolarHBondContact OE1-CB 3.39Å; E846-S873 PolarHBondContact OE1-OG 2.71Å; E846-S873 VanDerWaalsContact OE1-OG 3.12Å; E846-S873 WeakPolarHBondContact OE2-CB 3.44Å; E846-S873 PolarHBondContact OE2-OG 3.24Å
847	L	56.4	Low	68.6	Low	121 Å²	121	50 Å²	50	63%	0.634	24%	0.242	S	C	*	.	H	α-helix	trans	-68.7	-42.1	178.9	-71.4	170.5	0	0	0	112	D843 T844 Q845	D843-L847 PolarHBondContact O-N 3.14Å; T844-L847 PolarHBondContact O-N 3.43Å; Q845-L847 PolarHBondContact O-N 3.45Å
848	E	55	Low	69.3	Low	81 Å²	81	48.5 Å²	48.5	38%	0.379	24%	0.236	S	C	.	.	H	α-helix	trans	-77	-38.1	-179.1	-69	178.8	177.6	0	0	112.6	T844 Q845 R850	T844-E848 WeakPolarHBondContact O-CG 3.45Å; T844-E848 PolarHBondContact O-N 3.49Å; Q845-E848 PolarHBondContact O-N 3.24Å; E848-R850 PolarHBondContact O-N 3.11Å
849	Q	56.1	Low	70.2	Confident	11 Å²	11	48.4 Å²	48.4	5%	0.051	24%	0.236	C	C	.	.	H	α-helix	trans	-70.3	-12.6	-174.6	-72.7	169.8	3.3	0	0	114.4	Q845 K851 F852 I854 T856	Q845-Q849 VanDerWaalsContact CB-NE2 3.31Å; Q845-Q849 WeakPolarHBondContact O-CA 3.47Å; Q845-Q849 WeakPolarHBondContact O-CB 3.49Å; Q845-Q849 VanDerWaalsContact O-CD 3.23Å; Q845-Q849 WeakPolarHBondContact O-CG 3.26Å; Q845-Q849 PolarHBondContact O-N 3.4Å; Q849-K851 PolarHBondContact O-N 2.81Å; Q849-F852 PolarHBondContact O-N 2.91Å; Q849-F852 VanDerWaalsContact O-N 3.08Å; Q849-I854 HydrophobicContact CB-CB 4.13Å; Q849-I854 HydrophobicContact CB-CG1 4.35Å; Q849-I854 HydrophobicContact CG-CB 4.08Å; Q849-I854 HydrophobicContact CG-CD1 3.77Å; Q849-I854 HydrophobicContact CG-CG1 4.04Å; Q849-T856 PolarHBondContact OE1-OG1 3.35Å
850	R	55	Low	70.8	Confident	174 Å²	174	47.5 Å²	47.5	66%	0.657	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-48.6	-34.7	176.9	-177.7	-179.5	178	-176.7	-0.3	113.4	E848	E848-R850 PolarHBondContact O-N 3.11Å
851	K	58	Low	71.6	Confident	180 Å²	180	45 Å²	45	78%	0.783	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-15.3	-174.8	-71.1	-178.8	-178	177.8	0	114.4	Q849	Q849-K851 PolarHBondContact O-N 2.81Å
852	F	63.3	Low	72.5	Confident	54 Å²	54	45.3 Å²	45.3	24%	0.237	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.3	15.4	-162.7	-59.1	-82.2	0	0	0	114.3	Q793 K822 Q849	Q793-F852 HydrophobicContact CB-CD2 4.44Å; Q793-F852 HydrophobicContact CB-CE2 3.96Å; Q793-F852 HydrophobicContact CB-CZ 4.11Å; Q793-F852 VanDerWaalsContact CD-CE2 3.48Å; Q793-F852 HydrophobicContact CG-CD1 4.25Å; Q793-F852 HydrophobicContact CG-CD2 3.36Å; Q793-F852 HydrophobicContact CG-CE1 4.24Å; Q793-F852 HydrophobicContact CG-CE2 3.35Å; Q793-F852 HydrophobicContact CG-CG 3.82Å; Q793-F852 HydrophobicContact CG-CZ 3.82Å; K822-F852 PolarHBondContact NZ-O 3.11Å; Q849-F852 PolarHBondContact O-N 2.91Å; Q849-F852 VanDerWaalsContact O-N 3.08Å
853	G	74.4	Confident	73.3	Confident	23 Å²	23	44.7 Å²	44.7	24%	0.237	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.5	47.1	166.5	0	0	0	0	0	115.4	V821 K822	V821-G853 WeakPolarHBondContact CA-O 3.2Å; V821-G853 WeakPolarHBondContact CG1-O 3.48Å; K822-G853 PolarHBondContact N-O 2.75Å; K822-G853 VanDerWaalsContact N-O 3.12Å
854	I	85	Confident	74.4	Confident	9 Å²	9	48 Å²	48	5%	0.046	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	126.2	167.5	-51.2	-163.7	0	0	0	109.5	F789 V790 K822 K824 Q849	F789-I854 HydrophobicContact CB-CD1 3.82Å; V790-I854 HydrophobicContact CG1-CD1 4.41Å; K822-I854 HydrophobicContact CB-CG1 4.41Å; K822-I854 CarbonylContact O-C 3.46Å; K822-I854 WeakPolarHBondContact O-CA 3.48Å; K824-I854 HydrophobicContact CG-CG2 4.45Å; Q849-I854 HydrophobicContact CB-CB 4.13Å; Q849-I854 HydrophobicContact CB-CG1 4.35Å; Q849-I854 HydrophobicContact CG-CB 4.08Å; Q849-I854 HydrophobicContact CG-CD1 3.77Å; Q849-I854 HydrophobicContact CG-CG1 4.04Å
855	R	88.3	Confident	75.8	Confident	1 Å²	1	45.8 Å²	45.8	0%	0.004	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	123.5	170	179	-171.5	177	-112.9	-5.9	109.6	H496 E498 V821 K822 T823 K824 V857	H496-R855 HydrophobicContact CB-CB 3.82Å; H496-R855 HydrophobicContact CB-CG 4.02Å; H496-R855 CarbonylContact O-C 3.55Å; H496-R855 WeakPolarHBondContact O-CA 3.48Å; E498-R855 VanDerWaalsContact CD-NE 3.34Å; E498-R855 IonicContact OE1-CZ 3.35Å; E498-R855 IonicContact OE1-NE 2.82Å; E498-R855 PolarHBondContact OE1-NE 3.03Å; E498-R855 IonicContact OE1-NH2 3.72Å; E498-R855 PolarHBondContact OE1-NH2 2.79Å; E498-R855 IonicContact OE2-CZ 3.45Å; E498-R855 IonicContact OE2-NE 3.03Å; E498-R855 IonicContact OE2-NH2 2.69Å; E498-R855 PolarHBondContact OE2-NH2 2.97Å; V821-R855 HydrophobicContact CG1-CB 4.37Å; K822-R855 PolarHBondContact O-N 3.37Å; T823-R855 CarbonylContact C-O 3.55Å; T823-R855 VanDerWaalsContact CA-O 3.26Å; T823-R855 WeakPolarHBondContact CA-O 3.27Å; K824-R855 PolarHBondContact N-O 3.33Å; R855-V857 HydrophobicContact CG-CG2 4.47Å; R855-V857 VanDerWaalsContact CZ-CG2 3.45Å
856	T	89.1	Confident	77.2	Confident	9 Å²	9	43.7 Å²	43.7	6%	0.055	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	118.2	-177.7	-59.8	0	0	0	0	109.5	H496 T497 E498 K824 Q849 L858	H496-T856 PolarHBondContact O-N 2.89Å; T497-T856 CarbonylContact C-O 3.53Å; T497-T856 WeakPolarHBondContact CA-O 3.24Å; E498-T856 PolarHBondContact N-O 2.66Å; K824-T856 CarbonylContact O-C 3.49Å; K824-T856 WeakPolarHBondContact O-CA 3.32Å; Q849-T856 PolarHBondContact OE1-OG1 3.35Å; T856-L858 HydrophobicContact CG2-CD2 3.66Å; T856-L858 HydrophobicContact CG2-CG 4.06Å
857	V	92	Very high	78.5	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	120.3	177.8	-174.1	0	0	0	0	108.6	E498 I512 K824 V825 Y826 R855	E498-V857 HydrophobicContact CB-CG2 4.32Å; E498-V857 HydrophobicContact CG-CG2 4.48Å; E498-V857 WeakPolarHBondContact O-CA 3.32Å; I512-V857 HydrophobicContact CG1-CG1 4.34Å; I512-V857 HydrophobicContact CG2-CG1 4.32Å; K824-V857 PolarHBondContact O-N 3.49Å; V825-V857 WeakPolarHBondContact CA-O 3.33Å; V825-V857 HydrophobicContact CB-CB 4.43Å; V825-V857 HydrophobicContact CG1-CB 4.21Å; V825-V857 HydrophobicContact CG1-CG1 4.39Å; V825-V857 HydrophobicContact CG2-CB 4.14Å; V825-V857 HydrophobicContact CG2-CG2 4.3Å; Y826-V857 PolarHBondContact N-O 2.83Å; R855-V857 HydrophobicContact CG-CG2 4.47Å; R855-V857 VanDerWaalsContact CZ-CG2 3.45Å
858	L	92	Very high	79.7	Confident	4 Å²	4	43.2 Å²	43.2	2%	0.021	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	126.3	179.9	-51.2	175.6	0	0	0	108.4	E498 L499 T500 Y826 L829 W839 L842 T856 Y866 V870	E498-L858 PolarHBondContact O-N 2.99Å; L499-L858 WeakPolarHBondContact CA-O 3.17Å; L499-L858 HydrophobicContact CD2-CB 3.94Å; L499-L858 HydrophobicContact CD2-CD1 3.96Å; L499-L858 HydrophobicContact CD2-CG 4.33Å; T500-L858 PolarHBondContact N-O 3.31Å; Y826-L858 HydrophobicContact CD2-CD2 3.95Å; Y826-L858 HydrophobicContact CG-CD2 4.41Å; L829-L858 HydrophobicContact CD1-CB 4.13Å; L829-L858 HydrophobicContact CD1-CD2 3.68Å; L829-L858 HydrophobicContact CD1-CG 4.43Å; W839-L858 HydrophobicContact CZ3-CD1 4.31Å; L842-L858 HydrophobicContact CD1-CD2 4.15Å; T856-L858 HydrophobicContact CG2-CD2 3.66Å; T856-L858 HydrophobicContact CG2-CG 4.06Å; L858-Y866 HydrophobicContact CB-CE1 3.85Å; L858-Y866 PolarHBondContact O-OH 3.13Å; L858-V870 HydrophobicContact CD1-CG1 3.78Å
859	S	92	Very high	80.9	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	136.4	173.6	-168.6	0	0	0	0	112.4	T500 Y826 D827 E828 L829 Y866	T500-S859 PolarHBondContact O-OG 2.89Å; Y826-S859 PolarHBondContact O-N 2.92Å; D827-S859 VanDerWaalsContact OD1-CB 3.27Å; D827-S859 WeakPolarHBondContact OD1-CB 3.09Å; D827-S859 PolarHBondContact OD1-OG 3.07Å; E828-S859 PolarHBondContact N-O 3.41Å; L829-S859 PolarHBondContact N-O 3.08Å; S859-Y866 WeakPolarHBondContact CA-OH 3.47Å
860	T	89.6	Confident	82.2	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	170.9	176	68.8	0	0	0	0	110.2	P501 G502 K508 L829 H830 W839 L862 H865 Y866	P501-T860 CarbonylContact C-O 3.5Å; P501-T860 VanDerWaalsContact CA-O 3.31Å; P501-T860 WeakPolarHBondContact CA-O 3.43Å; G502-T860 PolarHBondContact N-O 3.02Å; K508-T860 PolarHBondContact NZ-O 3.2Å; L829-T860 HydrophobicContact CB-CG2 3.99Å; H830-T860 HydrophobicContact CB-CG2 4.43Å; W839-T860 HydrophobicContact CH2-CG2 4.21Å; T860-L862 PolarHBondContact OG1-O 3.27Å; T860-L862 VanDerWaalsContact OG1-O 3.07Å; T860-H865 HydrophobicContact CG2-CB 4.23Å; T860-Y866 HydrophobicContact CG2-CD1 3.88Å; T860-Y866 HydrophobicContact CG2-CE1 3.38Å; T860-Y866 HydrophobicContact CG2-CE2 4.32Å; T860-Y866 PolarHBondContact N-OH 2.84Å; T860-Y866 WeakPolarHBondContact OG1-CE2 3.5Å; T860-Y866 PolarHBondContact OG1-OH 3.3Å
861	Q	88	Confident	83.7	Confident	58 Å²	58	33.3 Å²	33.3	27%	0.271	18%	0.179	S	C	.	.	S	Bend	trans	-77.1	-30.5	179.8	-70.8	179.5	-0.4	0	0	114.8	G502 E828 H830	G502-Q861 CarbonylContact C-O 3.54Å; G502-Q861 WeakPolarHBondContact CA-O 3.47Å; G502-Q861 PolarHBondContact N-O 3.35Å; G502-Q861 VanDerWaalsContact O-CA 3.3Å; G502-Q861 WeakPolarHBondContact O-CA 3.39Å; E828-Q861 PolarHBondContact OE2-NE2 3.13Å; H830-Q861 PolarHBondContact CE1-NE2 3.15Å; H830-Q861 PolarHBondContact NE2-NE2 3.01Å
862	L	85.8	Confident	84.9	Confident	30 Å²	30	31.5 Å²	31.5	16%	0.157	17%	0.171	C	C	.	.	S	Bend	trans	-142.2	150.6	-173.7	-60.4	173.9	0	0	0	109.8	T860 Q864 H865	T860-L862 PolarHBondContact OG1-O 3.27Å; T860-L862 VanDerWaalsContact OG1-O 3.07Å; L862-Q864 VanDerWaalsContact C-N 3.28Å; L862-Q864 HydrophobicContact CB-CG 3.82Å; L862-Q864 HydrophobicContact CD1-CG 4.25Å; L862-Q864 VanDerWaalsContact CD1-NE2 3.27Å; L862-Q864 PolarHBondContact O-N 2.88Å; L862-H865 VanDerWaalsContact O-CB 3.31Å; L862-H865 WeakPolarHBondContact O-CB 3.39Å; L862-H865 PolarHBondContact O-N 3.39Å
863	L	87.1	Confident	85.8	Confident	3 Å²	3	30 Å²	30	2%	0.016	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-59.5	-40.6	178.3	-79	163.3	0	0	0	112.2	P501 H865 Y866 L871 L877 L879 E886 L890	P501-L863 HydrophobicContact CB-CD2 4.14Å; P501-L863 HydrophobicContact CB-CG 4.07Å; P501-L863 HydrophobicContact CG-CD2 3.69Å; P501-L863 HydrophobicContact CG-CG 3.98Å; L863-H865 PolarHBondContact O-N 2.99Å; L863-Y866 WeakPolarHBondContact O-CD2 3.4Å; L863-Y866 PolarHBondContact O-N 2.93Å; L863-L871 HydrophobicContact CD2-CD2 4.16Å; L863-L877 HydrophobicContact CD2-CD1 4.03Å; L863-L879 HydrophobicContact CD1-CD2 4.09Å; L863-L879 HydrophobicContact CG-CD2 4.41Å; L863-E886 HydrophobicContact CD1-CB 4.33Å; L863-L890 HydrophobicContact CD1-CD1 4.32Å; L863-L890 HydrophobicContact CD1-CD2 3.74Å; L863-L890 HydrophobicContact CD1-CG 4.11Å
864	Q	84.9	Confident	86.4	Confident	115 Å²	115	28.9 Å²	28.9	54%	0.537	16%	0.156	S	C	.	.	G	3₁₀ helix	trans	-63	-7.8	176.8	65	-179.5	9.4	0	0	114.9	L862	L862-Q864 VanDerWaalsContact C-N 3.28Å; L862-Q864 HydrophobicContact CB-CG 3.82Å; L862-Q864 HydrophobicContact CD1-CG 4.25Å; L862-Q864 VanDerWaalsContact CD1-NE2 3.27Å; L862-Q864 PolarHBondContact O-N 2.88Å
865	H	86.1	Confident	86.6	Confident	25 Å²	25	29.2 Å²	29.2	12%	0.116	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-81.3	-18.5	173.4	-66	167	0	0	0	112.7	H830 K833 T860 L862 L863	H830-H865 HydrophobicContact CB-CB 4.07Å; H830-H865 VanDerWaalsContact CB-ND1 3.34Å; H830-H865 WeakPolarHBondContact CB-ND1 3.47Å; H830-H865 AromaticContact CG-ND1 3.99Å; K833-H865 PolarHBondContact NZ-CD2 2.92Å; K833-H865 PolarHBondContact NZ-NE2 3.3Å; T860-H865 HydrophobicContact CG2-CB 4.23Å; L862-H865 VanDerWaalsContact O-CB 3.31Å; L862-H865 WeakPolarHBondContact O-CB 3.39Å; L862-H865 PolarHBondContact O-N 3.39Å; L863-H865 PolarHBondContact O-N 2.99Å
866	Y	86.6	Confident	86.9	Confident	6 Å²	6	29.2 Å²	29.2	2%	0.024	16%	0.158	C	C	.	.	S	Bend	trans	-80.8	142.2	173.1	-60.7	-72.2	0	0	0	110.7	L499 T500 P501 W839 L858 S859 T860 L863 V870 L871	L499-Y866 HydrophobicContact CB-CE2 4.26Å; L499-Y866 HydrophobicContact CD1-CD2 4.35Å; L499-Y866 HydrophobicContact CD1-CE2 4.49Å; L499-Y866 HydrophobicContact CD1-CG 4.44Å; L499-Y866 HydrophobicContact CD2-CD1 4.07Å; L499-Y866 HydrophobicContact CD2-CE1 3.86Å; T500-Y866 PolarHBondContact N-OH 3.24Å; P501-Y866 HydrophobicContact CB-CE2 4.04Å; P501-Y866 HydrophobicContact CG-CE2 4.48Å; W839-Y866 AromaticContact CH2-CD1 3.95Å; W839-Y866 HydrophobicContact CH2-CD1 3.95Å; W839-Y866 HydrophobicContact CH2-CE1 4.48Å; W839-Y866 HydrophobicContact CZ3-CD1 4.14Å; L858-Y866 HydrophobicContact CB-CE1 3.85Å; L858-Y866 PolarHBondContact O-OH 3.13Å; S859-Y866 WeakPolarHBondContact CA-OH 3.47Å; T860-Y866 HydrophobicContact CG2-CD1 3.88Å; T860-Y866 HydrophobicContact CG2-CE1 3.38Å; T860-Y866 HydrophobicContact CG2-CE2 4.32Å; T860-Y866 PolarHBondContact N-OH 2.84Å; T860-Y866 WeakPolarHBondContact OG1-CE2 3.5Å; T860-Y866 PolarHBondContact OG1-OH 3.3Å; L863-Y866 WeakPolarHBondContact O-CD2 3.4Å; L863-Y866 PolarHBondContact O-N 2.93Å; Y866-V870 HydrophobicContact CD1-CG1 4.43Å; Y866-L871 HydrophobicContact CD2-CD2 3.97Å; Y866-L871 HydrophobicContact CG-CD2 4.23Å; Y866-L871 WeakPolarHBondContact O-CD1 3.49Å
867	P	83.3	Confident	87.2	Confident	30 Å²	30	28.8 Å²	28.8	20%	0.195	16%	0.155	C	C	.	.			trans	-59.4	147.8	169.3	-21.5	31.1	0	0	0	111.8	W839 A869 V870 L871	W839-P867 HydrophobicContact CB-CG 3.74Å; W839-P867 HydrophobicContact CD2-CG 3.38Å; W839-P867 VanDerWaalsContact CE3-CD 3.47Å; W839-P867 HydrophobicContact CE3-CG 3.65Å; W839-P867 HydrophobicContact CG-CG 3.42Å; W839-P867 VanDerWaalsContact CG-CG 3.42Å; W839-P867 HydrophobicContact CZ3-CG 4.41Å; P867-A869 PolarHBondContact O-N 2.95Å; P867-V870 HydrophobicContact CB-CG2 4.23Å; P867-V870 HydrophobicContact CG-CG2 4.09Å; P867-V870 PolarHBondContact O-N 3.12Å; P867-L871 PolarHBondContact O-N 2.76Å; P867-L871 VanDerWaalsContact O-N 3.09Å
868	P	82.9	Confident	87.3	Confident	95 Å²	95	28.8 Å²	28.8	62%	0.617	16%	0.155	S	C	*	.	H	α-helix	trans	-56.6	-32.5	176.4	-27.4	35.4	0	0	0	114.3	K872	P868-K872 WeakPolarHBondContact O-CB 3.49Å; P868-K872 WeakPolarHBondContact O-CG 3.28Å; P868-K872 PolarHBondContact O-N 2.53Å
869	A	80.1	Confident	87.4	Confident	47 Å²	47	28.6 Å²	28.6	39%	0.388	15%	0.154	S	C	.	.	H	α-helix	trans	-62.3	-51	176.3	0	0	0	0	0	111.5	P867 L871 K872 S873	P867-A869 PolarHBondContact O-N 2.95Å; A869-L871 VanDerWaalsContact C-N 3.35Å; A869-L871 PolarHBondContact O-N 3.46Å; A869-K872 PolarHBondContact O-N 3.23Å; A869-S873 WeakPolarHBondContact O-CB 3.15Å; A869-S873 PolarHBondContact O-N 3.45Å; A869-S873 PolarHBondContact O-OG 2.91Å
870	V	83.5	Confident	87.4	Confident	3 Å²	3	29.2 Å²	29.2	2%	0.018	16%	0.158	C	C	.	.	H	α-helix	trans	-60.9	-41.2	177.9	176.1	0	0	0	0	111.8	L499 W839 L858 Y866 P867 S873 A874	L499-V870 HydrophobicContact CD2-CG1 3.8Å; W839-V870 HydrophobicContact CE3-CG2 4.24Å; L858-V870 HydrophobicContact CD1-CG1 3.78Å; Y866-V870 HydrophobicContact CD1-CG1 4.43Å; P867-V870 HydrophobicContact CB-CG2 4.23Å; P867-V870 HydrophobicContact CG-CG2 4.09Å; P867-V870 PolarHBondContact O-N 3.12Å; V870-S873 WeakPolarHBondContact CA-OG 3.49Å; V870-S873 PolarHBondContact O-N 3.05Å; V870-S873 PolarHBondContact O-OG 3.31Å; V870-S873 VanDerWaalsContact O-OG 3.07Å; V870-A874 WeakPolarHBondContact O-CB 3.35Å; V870-A874 PolarHBondContact O-N 3.46Å
871	L	86	Confident	87.5	Confident	8 Å²	8	32.2 Å²	32.2	4%	0.042	17%	0.169	C	C	.	.	H	α-helix	trans	-65	-40	177.1	-70.4	162.4	0	0	0	112	L499 L863 Y866 P867 A869 S873 F889 F894	L499-L871 HydrophobicContact CD1-CD2 3.82Å; L863-L871 HydrophobicContact CD2-CD2 4.16Å; Y866-L871 HydrophobicContact CD2-CD2 3.97Å; Y866-L871 HydrophobicContact CG-CD2 4.23Å; Y866-L871 WeakPolarHBondContact O-CD1 3.49Å; P867-L871 PolarHBondContact O-N 2.76Å; P867-L871 VanDerWaalsContact O-N 3.09Å; A869-L871 VanDerWaalsContact C-N 3.35Å; A869-L871 PolarHBondContact O-N 3.46Å; L871-S873 VanDerWaalsContact C-N 3.32Å; L871-F889 HydrophobicContact CB-CZ 3.89Å; L871-F889 HydrophobicContact CD1-CE1 4.12Å; L871-F889 HydrophobicContact CD1-CE2 4.19Å; L871-F889 HydrophobicContact CD1-CZ 3.46Å; L871-F889 VanDerWaalsContact CD1-CZ 3.46Å; L871-F889 HydrophobicContact CD2-CE1 4.06Å; L871-F889 HydrophobicContact CD2-CZ 4.05Å; L871-F889 HydrophobicContact CG-CE1 4.5Å; L871-F889 HydrophobicContact CG-CZ 3.99Å; L871-F894 HydrophobicContact CD2-CE2 4.3Å; L871-F894 HydrophobicContact CD2-CZ 4.3Å
872	K	83.3	Confident	87.6	Confident	141 Å²	141	29.8 Å²	29.8	61%	0.613	16%	0.157	S	C	*	.	H	α-helix	trans	-71.2	-28.6	176.7	-78.2	177.6	178.4	-178.4	0	112.5	P868 A869 R925	P868-K872 WeakPolarHBondContact O-CB 3.49Å; P868-K872 WeakPolarHBondContact O-CG 3.28Å; P868-K872 PolarHBondContact O-N 2.53Å; A869-K872 PolarHBondContact O-N 3.23Å; K872-R925 PolarHBondContact O-NH1 2.85Å
873	S	81.3	Confident	87.8	Confident	22 Å²	22	34 Å²	34	15%	0.154	17%	0.171	C	C	.	.	H	α-helix	trans	-92.9	-23.8	-175.3	70	0	0	0	0	114.2	E846 A869 V870 L871 N875	E846-S873 WeakPolarHBondContact OE1-CB 3.39Å; E846-S873 PolarHBondContact OE1-OG 2.71Å; E846-S873 VanDerWaalsContact OE1-OG 3.12Å; E846-S873 WeakPolarHBondContact OE2-CB 3.44Å; E846-S873 PolarHBondContact OE2-OG 3.24Å; A869-S873 WeakPolarHBondContact O-CB 3.15Å; A869-S873 PolarHBondContact O-N 3.45Å; A869-S873 PolarHBondContact O-OG 2.91Å; V870-S873 WeakPolarHBondContact CA-OG 3.49Å; V870-S873 PolarHBondContact O-N 3.05Å; V870-S873 PolarHBondContact O-OG 3.31Å; V870-S873 VanDerWaalsContact O-OG 3.07Å; L871-S873 VanDerWaalsContact C-N 3.32Å; S873-N875 PolarHBondContact O-OD1 3.13Å
874	A	87.9	Confident	87.9	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.198	C	C	.	.			trans	-59.1	138.3	-176.7	0	0	0	0	0	113.8	T497 L499 V870 R925	T497-A874 HydrophobicContact CG2-CB 4.36Å; L499-A874 HydrophobicContact CD1-CB 3.52Å; L499-A874 HydrophobicContact CD2-CB 4.28Å; L499-A874 HydrophobicContact CG-CB 3.61Å; V870-A874 WeakPolarHBondContact O-CB 3.35Å; V870-A874 PolarHBondContact O-N 3.46Å; A874-R925 WeakPolarHBondContact O-CD 3.36Å; A874-R925 PolarHBondContact O-NH1 3.33Å
875	N	89.1	Confident	88.3	Confident	16 Å²	16	38 Å²	38	9%	0.086	20%	0.201	C	C	.	.	S	Bend	trans	-100.2	-23.5	-179.3	-85.3	74.6	0	0	0	112.9	Q493 K495 T497 S873 F924 R925	Q493-N875 PolarHBondContact NE2-O 3.28Å; K495-N875 WeakPolarHBondContact CB-OD1 3.46Å; K495-N875 WeakPolarHBondContact O-CB 3.36Å; T497-N875 PolarHBondContact O-N 2.9Å; S873-N875 PolarHBondContact O-OD1 3.13Å; N875-F924 CarbonylContact O-C 3.48Å; N875-F924 WeakPolarHBondContact O-CA 3.38Å; N875-R925 PolarHBondContact ND2-O 3.05Å; N875-R925 PolarHBondContact O-N 3.48Å
876	T	93.8	Very high	88.5	Confident	1 Å²	1	37.6 Å²	37.6	1%	0.006	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	137.2	178.7	-55.6	0	0	0	0	109.8	Q493 T497 E498 L499 W878 V923 F924	Q493-T876 PolarHBondContact NE2-OG1 3.2Å; T497-T876 PolarHBondContact O-N 3.32Å; E498-T876 CarbonylContact C-O 3.48Å; E498-T876 WeakPolarHBondContact CA-O 3.39Å; E498-T876 HydrophobicContact CB-CG2 4.35Å; E498-T876 HydrophobicContact CG-CG2 4.26Å; L499-T876 PolarHBondContact N-O 2.92Å; T876-W878 HydrophobicContact CG2-CD2 4.22Å; T876-W878 HydrophobicContact CG2-CG 4.4Å; T876-W878 HydrophobicContact CG2-CZ2 4.04Å; T876-V923 CarbonylContact C-O 3.56Å; T876-V923 WeakPolarHBondContact CA-O 3.49Å; T876-F924 HydrophobicContact CG2-CD1 3.64Å; T876-F924 HydrophobicContact CG2-CE1 3.59Å
877	L	95.2	Very high	88.8	Confident	1 Å²	1	37.9 Å²	37.9	1%	0.005	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	120.2	173.8	171.5	67.5	0	0	0	109.2	L499 P501 L863 L879 L890 F894 V923	L499-L877 HydrophobicContact CB-CD1 3.89Å; P501-L877 HydrophobicContact CG-CD1 3.75Å; L863-L877 HydrophobicContact CD2-CD1 4.03Å; L877-L879 HydrophobicContact CD1-CD2 4.32Å; L877-L879 HydrophobicContact CD1-CG 4Å; L877-L879 HydrophobicContact CD2-CD1 3.53Å; L877-L879 HydrophobicContact CD2-CG 3.95Å; L877-L879 HydrophobicContact CG-CD1 3.91Å; L877-L879 HydrophobicContact CG-CG 3.78Å; L877-L890 HydrophobicContact CD2-CD2 3.87Å; L877-F894 HydrophobicContact CB-CD1 4.31Å; L877-F894 HydrophobicContact CB-CE1 3.98Å; L877-F894 HydrophobicContact CD2-CD1 3.87Å; L877-F894 HydrophobicContact CD2-CD2 3.98Å; L877-F894 HydrophobicContact CD2-CE1 3.84Å; L877-F894 HydrophobicContact CD2-CE2 3.94Å; L877-F894 HydrophobicContact CD2-CG 3.95Å; L877-F894 HydrophobicContact CD2-CZ 3.87Å; L877-F894 HydrophobicContact CG-CE1 4.47Å; L877-V923 HydrophobicContact CB-CB 4.17Å; L877-V923 PolarHBondContact N-O 2.75Å; L877-V923 PolarHBondContact O-N 3.37Å
878	W	95.3	Very high	89.3	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	98.5	177.1	-61.2	111.4	0	0	0	109.6	L474 M476 V486 L488 E498 L499 T500 L511 L515 T876 V920 A922 F924	L474-W878 HydrophobicContact CD2-CH2 4.03Å; M476-W878 HydrophobicContact SD-CH2 4.48Å; M476-W878 HydrophobicContact SD-CZ3 4Å; V486-W878 HydrophobicContact CG1-CH2 4.17Å; L488-W878 HydrophobicContact CD2-CZ2 4.4Å; E498-W878 PolarHBondContact OE2-NE1 3.08Å; L499-W878 PolarHBondContact O-N 3.37Å; T500-W878 HydrophobicContact CG2-CB 4.22Å; L511-W878 HydrophobicContact CD2-CB 3.84Å; L511-W878 HydrophobicContact CD2-CD2 4.45Å; L511-W878 HydrophobicContact CD2-CG 4.17Å; L515-W878 HydrophobicContact CD1-CZ2 4.17Å; L515-W878 HydrophobicContact CD2-CZ2 4.18Å; T876-W878 HydrophobicContact CG2-CD2 4.22Å; T876-W878 HydrophobicContact CG2-CG 4.4Å; T876-W878 HydrophobicContact CG2-CZ2 4.04Å; W878-V920 HydrophobicContact CE3-CG1 4.05Å; W878-A922 HydrophobicContact CE3-CB 4.04Å; W878-A922 HydrophobicContact CZ3-CB 3.86Å; W878-F924 AromaticContact CH2-CE1 3.75Å; W878-F924 HydrophobicContact CH2-CE1 3.75Å; W878-F924 AromaticContact CH2-CZ 3.51Å; W878-F924 HydrophobicContact CH2-CZ 3.51Å; W878-F924 AromaticContact CZ2-CE1 3.8Å; W878-F924 HydrophobicContact CZ2-CE1 3.8Å; W878-F924 HydrophobicContact CZ2-CZ 4.06Å; W878-F924 HydrophobicContact CZ3-CE1 4.35Å; W878-F924 AromaticContact CZ3-CZ 3.79Å; W878-F924 HydrophobicContact CZ3-CZ 3.79Å
879	L	94.3	Very high	89.6	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	113.1	-179.5	-77.2	162.8	0	0	0	111.2	P501 L863 L877 L890 F904 V920 L921	P501-L879 HydrophobicContact CB-CD2 4.49Å; P501-L879 HydrophobicContact CG-CD2 3.44Å; P501-L879 VanDerWaalsContact CG-CD2 3.44Å; P501-L879 HydrophobicContact CG-CG 4.31Å; L863-L879 HydrophobicContact CD1-CD2 4.09Å; L863-L879 HydrophobicContact CG-CD2 4.41Å; L877-L879 HydrophobicContact CD1-CD2 4.32Å; L877-L879 HydrophobicContact CD1-CG 4Å; L877-L879 HydrophobicContact CD2-CD1 3.53Å; L877-L879 HydrophobicContact CD2-CG 3.95Å; L877-L879 HydrophobicContact CG-CD1 3.91Å; L877-L879 HydrophobicContact CG-CG 3.78Å; L879-L890 HydrophobicContact CD1-CD1 4.1Å; L879-L890 HydrophobicContact CD1-CD2 3.73Å; L879-F904 VanDerWaalsContact O-CZ 3.24Å; L879-F904 WeakPolarHBondContact O-CZ 3.41Å; L879-V920 WeakPolarHBondContact O-CA 3.33Å; L879-L921 HydrophobicContact CB-CB 3.99Å; L879-L921 WeakPolarHBondContact CB-O 3.46Å; L879-L921 HydrophobicContact CD1-CD2 3.89Å; L879-L921 HydrophobicContact CD1-CG 4.34Å; L879-L921 PolarHBondContact N-O 2.9Å; L879-L921 PolarHBondContact O-N 3.42Å
880	L	92.3	Very high	90.2	Very high	13 Å²	13	35.5 Å²	35.5	7%	0.068	18%	0.175	C	C	.	.	S	Bend	trans	-84.3	-32.7	170.2	-61	174.9	0	0	0	111.7	L506 K508 L511 F904 V918 V920	L506-L880 HydrophobicContact CB-CB 4.19Å; L506-L880 HydrophobicContact CB-CD1 4.09Å; L506-L880 HydrophobicContact CD1-CB 4.5Å; L506-L880 WeakPolarHBondContact O-CD1 3.39Å; K508-L880 HydrophobicContact CB-CD1 4.34Å; K508-L880 HydrophobicContact CG-CD1 3.79Å; L511-L880 HydrophobicContact CD2-CD2 4.38Å; L880-F904 WeakPolarHBondContact O-CZ 3.46Å; L880-V918 HydrophobicContact CD2-CG1 4.08Å; L880-V920 HydrophobicContact CD2-CB 4.42Å; L880-V920 HydrophobicContact CD2-CG1 4.26Å; L880-V920 HydrophobicContact CD2-CG2 3.66Å
881	R	90.6	Very high	90.5	Very high	62 Å²	62	40 Å²	40	23%	0.234	19%	0.192	C	C	.	.			trans	-159.9	156.4	176.2	-163.3	60.9	163.1	172.7	-1	108.9	L506 L905 M907 E909	L506-R881 HydrophobicContact CD1-CB 3.59Å; R881-L905 PolarHBondContact NH1-O 3.28Å; R881-M907 PolarHBondContact NH1-O 2.87Å; R881-E909 IonicContact CZ-OE1 3.91Å; R881-E909 IonicContact NE-OE1 3.24Å; R881-E909 PolarHBondContact NE-OE1 2.73Å; R881-E909 IonicContact NH2-OE1 2.69Å; R881-E909 PolarHBondContact NH2-OE1 3.21Å
882	Y	90.8	Very high	90.6	Very high	8 Å²	8	44.6 Å²	44.6	3%	0.031	22%	0.217	C	C	.	.			trans	-149.3	167.3	173.1	77	-95.3	0	0	0	109.1	E886 I887 L890 L901 F904 L905	Y882-E886 WeakPolarHBondContact CA-OE2 3.17Å; Y882-E886 WeakPolarHBondContact CB-OE2 3.09Å; Y882-E886 HydrophobicContact CD2-CB 4.22Å; Y882-I887 HydrophobicContact CE2-CG1 3.68Å; Y882-L890 HydrophobicContact CD1-CD1 4.05Å; Y882-L890 HydrophobicContact CD2-CD1 3.68Å; Y882-L890 HydrophobicContact CE1-CD1 4.35Å; Y882-L890 HydrophobicContact CE2-CD1 4.07Å; Y882-L890 HydrophobicContact CG-CD1 3.72Å; Y882-L901 HydrophobicContact CE1-CD2 3.88Å; Y882-L901 WeakPolarHBondContact OH-CA 3.14Å; Y882-L901 WeakPolarHBondContact OH-CB 3.05Å; Y882-L901 PolarHBondContact OH-O 2.98Å; Y882-F904 AromaticContact CD1-CD1 3.7Å; Y882-F904 HydrophobicContact CD1-CD1 3.7Å; Y882-F904 HydrophobicContact CD1-CE1 4.13Å; Y882-F904 HydrophobicContact CE1-CB 4.36Å; Y882-F904 AromaticContact CE1-CD1 3.65Å; Y882-F904 HydrophobicContact CE1-CD1 3.65Å; Y882-F904 HydrophobicContact CE1-CG 4.48Å; Y882-L905 HydrophobicContact CD2-CD2 4.34Å; Y882-L905 HydrophobicContact CE1-CD2 4.2Å; Y882-L905 HydrophobicContact CE1-CG 3.96Å; Y882-L905 HydrophobicContact CE2-CD1 3.79Å; Y882-L905 HydrophobicContact CE2-CD2 3.94Å; Y882-L905 HydrophobicContact CE2-CG 3.89Å; Y882-L905 VanDerWaalsContact CZ-CG 3.44Å; Y882-L905 WeakPolarHBondContact O-CD2 3.39Å; Y882-L905 WeakPolarHBondContact OH-CD1 3.42Å; Y882-L905 VanDerWaalsContact OH-CG 3.24Å; Y882-L905 WeakPolarHBondContact OH-CG 3.49Å
883	R	89.1	Confident	90.7	Very high	119 Å²	119	40.3 Å²	40.3	45%	0.449	20%	0.2	S	C	.	.			trans	-95.4	147.8	-179	-58.4	178.9	168.1	175.6	-4.3	112.2	D885 E886	R883-D885 WeakPolarHBondContact CB-OD1 3.35Å; R883-D885 PolarHBondContact O-N 2.9Å; R883-D885 VanDerWaalsContact O-N 3.08Å; R883-E886 HydrophobicContact CB-CG 4.24Å; R883-E886 PolarHBondContact N-OE2 2.63Å; R883-E886 WeakPolarHBondContact O-CB 3.09Å; R883-E886 PolarHBondContact O-N 3.29Å
884	P	90.6	Very high	91.1	Very high	90 Å²	90	39.5 Å²	39.5	58%	0.584	19%	0.194	S	C	*	.	G	3₁₀ helix	trans	-54.3	-31	-179.6	-27.2	35.3	0	0	0	115.3	E886 I887 L905	P884-E886 VanDerWaalsContact C-N 3.26Å; P884-E886 PolarHBondContact O-N 3.06Å; P884-I887 WeakPolarHBondContact O-CB 3.46Å; P884-I887 WeakPolarHBondContact O-CD1 3.22Å; P884-I887 VanDerWaalsContact O-CG1 3.24Å; P884-I887 WeakPolarHBondContact O-CG1 3.42Å; P884-I887 PolarHBondContact O-N 2.75Å; P884-L905 HydrophobicContact CB-CD1 4.38Å; P884-L905 HydrophobicContact CG-CD1 4.25Å
885	D	92.1	Very high	91.1	Very high	111 Å²	111	41 Å²	41	59%	0.594	21%	0.209	S	C	*	.	G	3₁₀ helix	trans	-71	-16.1	176	57	-57.7	0	0	0	113.9	R883 I887 P888	R883-D885 WeakPolarHBondContact CB-OD1 3.35Å; R883-D885 PolarHBondContact O-N 2.9Å; R883-D885 VanDerWaalsContact O-N 3.08Å; D885-I887 VanDerWaalsContact C-N 3.32Å; D885-P888 WeakPolarHBondContact O-CD 3.41Å
886	E	91	Very high	91.2	Very high	16 Å²	16	40.2 Å²	40.2	8%	0.075	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-84.6	-3.7	176.1	-60	173.6	136.9	0	0	112.4	L863 Y882 R883 P884 F889 L890	L863-E886 HydrophobicContact CD1-CB 4.33Å; Y882-E886 WeakPolarHBondContact CA-OE2 3.17Å; Y882-E886 WeakPolarHBondContact CB-OE2 3.09Å; Y882-E886 HydrophobicContact CD2-CB 4.22Å; R883-E886 HydrophobicContact CB-CG 4.24Å; R883-E886 PolarHBondContact N-OE2 2.63Å; R883-E886 WeakPolarHBondContact O-CB 3.09Å; R883-E886 PolarHBondContact O-N 3.29Å; P884-E886 VanDerWaalsContact C-N 3.26Å; P884-E886 PolarHBondContact O-N 3.06Å; E886-F889 WeakPolarHBondContact O-CB 3.47Å; E886-F889 PolarHBondContact O-N 3.49Å; E886-L890 WeakPolarHBondContact O-CG 3.48Å; E886-L890 PolarHBondContact O-N 3.36Å
887	I	93.3	Very high	91	Very high	13 Å²	13	41.3 Å²	41.3	7%	0.067	21%	0.212	C	C	.	.	H	α-helix	trans	-55.5	-52.8	179	-69.8	175.6	0	0	0	112.6	Y882 P884 D885 F889 L890 R891 E898 L901 R902 L905	Y882-I887 HydrophobicContact CE2-CG1 3.68Å; P884-I887 WeakPolarHBondContact O-CB 3.46Å; P884-I887 WeakPolarHBondContact O-CD1 3.22Å; P884-I887 VanDerWaalsContact O-CG1 3.24Å; P884-I887 WeakPolarHBondContact O-CG1 3.42Å; P884-I887 PolarHBondContact O-N 2.75Å; D885-I887 VanDerWaalsContact C-N 3.32Å; I887-F889 PolarHBondContact O-N 3.42Å; I887-L890 PolarHBondContact O-N 3.41Å; I887-R891 WeakPolarHBondContact O-CB 3.45Å; I887-R891 PolarHBondContact O-N 3.21Å; I887-E898 HydrophobicContact CG2-CG 3.85Å; I887-L901 HydrophobicContact CB-CD1 4.5Å; I887-L901 HydrophobicContact CG2-CD1 4.01Å; I887-R902 HydrophobicContact CD1-CG 4.38Å; I887-L905 HydrophobicContact CD1-CD1 3.94Å; I887-L905 HydrophobicContact CG1-CD1 4.44Å
888	P	92.5	Very high	90.8	Very high	60 Å²	60	44 Å²	44	39%	0.39	23%	0.225	S	C	.	.	H	α-helix	trans	-59.3	-39.7	-179.4	-22.3	34.5	0	0	0	111.1	D885 R891 D892	D885-P888 WeakPolarHBondContact O-CD 3.41Å; P888-R891 PolarHBondContact O-N 2.78Å; P888-D892 VanDerWaalsContact O-CB 3.24Å; P888-D892 WeakPolarHBondContact O-CB 3.31Å; P888-D892 PolarHBondContact O-N 3.16Å
889	F	89.6	Confident	90.5	Very high	61 Å²	61	46.3 Å²	46.3	27%	0.268	24%	0.239	S	C	.	.	H	α-helix	trans	-62.9	-47.3	179	-178.6	-95	0	0	0	112.4	L871 E886 I887 D892 N893 F894	L871-F889 HydrophobicContact CB-CZ 3.89Å; L871-F889 HydrophobicContact CD1-CE1 4.12Å; L871-F889 HydrophobicContact CD1-CE2 4.19Å; L871-F889 HydrophobicContact CD1-CZ 3.46Å; L871-F889 VanDerWaalsContact CD1-CZ 3.46Å; L871-F889 HydrophobicContact CD2-CE1 4.06Å; L871-F889 HydrophobicContact CD2-CZ 4.05Å; L871-F889 HydrophobicContact CG-CE1 4.5Å; L871-F889 HydrophobicContact CG-CZ 3.99Å; E886-F889 WeakPolarHBondContact O-CB 3.47Å; E886-F889 PolarHBondContact O-N 3.49Å; I887-F889 PolarHBondContact O-N 3.42Å; F889-D892 PolarHBondContact O-N 3.17Å; F889-N893 WeakPolarHBondContact CD2-ND2 3.42Å; F889-N893 HydrophobicContact CE2-CB 4.28Å; F889-N893 VanDerWaalsContact CE2-ND2 3.29Å; F889-N893 WeakPolarHBondContact CE2-ND2 3.5Å; F889-N893 HydrophobicContact CZ-CB 4.15Å; F889-N893 VanDerWaalsContact O-CB 3.31Å; F889-N893 WeakPolarHBondContact O-CB 3.36Å; F889-N893 PolarHBondContact O-N 3.23Å; F889-N893 PolarHBondContact O-ND2 2.74Å; F889-F894 HydrophobicContact CE1-CD2 4.33Å; F889-F894 AromaticContact CE1-CE2 3.87Å; F889-F894 HydrophobicContact CE1-CE2 3.87Å; F889-F894 HydrophobicContact CZ-CE2 4.41Å
890	L	92.4	Very high	90.4	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-66.3	-38.6	178.3	-71.3	172	0	0	0	112.6	L863 L877 L879 Y882 E886 I887 F894 G895 V896 L901	L863-L890 HydrophobicContact CD1-CD1 4.32Å; L863-L890 HydrophobicContact CD1-CD2 3.74Å; L863-L890 HydrophobicContact CD1-CG 4.11Å; L877-L890 HydrophobicContact CD2-CD2 3.87Å; L879-L890 HydrophobicContact CD1-CD1 4.1Å; L879-L890 HydrophobicContact CD1-CD2 3.73Å; Y882-L890 HydrophobicContact CD1-CD1 4.05Å; Y882-L890 HydrophobicContact CD2-CD1 3.68Å; Y882-L890 HydrophobicContact CE1-CD1 4.35Å; Y882-L890 HydrophobicContact CE2-CD1 4.07Å; Y882-L890 HydrophobicContact CG-CD1 3.72Å; E886-L890 WeakPolarHBondContact O-CG 3.48Å; E886-L890 PolarHBondContact O-N 3.36Å; I887-L890 PolarHBondContact O-N 3.41Å; L890-F894 HydrophobicContact CD2-CD2 4.07Å; L890-F894 CarbonylContact O-C 3.55Å; L890-F894 WeakPolarHBondContact O-CA 3.33Å; L890-F894 WeakPolarHBondContact O-CB 3.41Å; L890-F894 PolarHBondContact O-N 3.29Å; L890-F894 VanDerWaalsContact O-N 3.12Å; L890-G895 PolarHBondContact O-N 3.11Å; L890-V896 PolarHBondContact O-N 3.01Å; L890-L901 HydrophobicContact CB-CD1 3.84Å; L890-L901 HydrophobicContact CB-CD2 3.92Å; L890-L901 HydrophobicContact CD1-CD2 3.63Å; L890-L901 HydrophobicContact CG-CD2 4.4Å
891	R	90.7	Very high	90.5	Very high	97 Å²	97	45.7 Å²	45.7	37%	0.366	24%	0.236	S	C	.	.	H	α-helix	trans	-63.7	-52.6	174.4	-176.3	-168.7	65.5	-154.3	-3.6	110.9	I887 P888 G895 E898 L901	I887-R891 WeakPolarHBondContact O-CB 3.45Å; I887-R891 PolarHBondContact O-N 3.21Å; P888-R891 PolarHBondContact O-N 2.78Å; R891-G895 WeakPolarHBondContact O-CA 3.35Å; R891-G895 PolarHBondContact O-N 3.11Å; R891-E898 IonicContact NH1-OE2 2.83Å; R891-E898 PolarHBondContact NH1-OE2 2.93Å; R891-L901 HydrophobicContact CB-CD1 4.45Å
892	D	87.9	Confident	90.7	Very high	105 Å²	105	49 Å²	49	56%	0.561	25%	0.248	S	C	*	.	H	α-helix	trans	-79.7	-30.8	-168.3	-59.6	-17.5	0	0	0	112.7	P888 F889	P888-D892 VanDerWaalsContact O-CB 3.24Å; P888-D892 WeakPolarHBondContact O-CB 3.31Å; P888-D892 PolarHBondContact O-N 3.16Å; F889-D892 PolarHBondContact O-N 3.17Å
893	N	86.3	Confident	90.8	Very high	51 Å²	51	51.3 Å²	51.3	27%	0.273	26%	0.257	S	S	.	.	H	α-helix	trans	-99.6	-33.3	-178	-64.5	-91.8	0	0	0	113.4	F889 R925	F889-N893 WeakPolarHBondContact CD2-ND2 3.42Å; F889-N893 HydrophobicContact CE2-CB 4.28Å; F889-N893 VanDerWaalsContact CE2-ND2 3.29Å; F889-N893 WeakPolarHBondContact CE2-ND2 3.5Å; F889-N893 HydrophobicContact CZ-CB 4.15Å; F889-N893 VanDerWaalsContact O-CB 3.31Å; F889-N893 WeakPolarHBondContact O-CB 3.36Å; F889-N893 PolarHBondContact O-N 3.23Å; F889-N893 PolarHBondContact O-ND2 2.74Å; N893-R925 PolarHBondContact O-NH2 2.83Å
894	F	89.2	Confident	91	Very high	5 Å²	5	45.8 Å²	45.8	2%	0.022	24%	0.236	C	C	.	.	H	α-helix	trans	-105.9	-6.9	-178.6	-71.6	-85.8	0	0	0	113.1	L499 L871 L877 F889 L890 V896 V923 T930	L499-F894 HydrophobicContact CD1-CZ 4.49Å; L871-F894 HydrophobicContact CD2-CE2 4.3Å; L871-F894 HydrophobicContact CD2-CZ 4.3Å; L877-F894 HydrophobicContact CB-CD1 4.31Å; L877-F894 HydrophobicContact CB-CE1 3.98Å; L877-F894 HydrophobicContact CD2-CD1 3.87Å; L877-F894 HydrophobicContact CD2-CD2 3.98Å; L877-F894 HydrophobicContact CD2-CE1 3.84Å; L877-F894 HydrophobicContact CD2-CE2 3.94Å; L877-F894 HydrophobicContact CD2-CG 3.95Å; L877-F894 HydrophobicContact CD2-CZ 3.87Å; L877-F894 HydrophobicContact CG-CE1 4.47Å; F889-F894 HydrophobicContact CE1-CD2 4.33Å; F889-F894 AromaticContact CE1-CE2 3.87Å; F889-F894 HydrophobicContact CE1-CE2 3.87Å; F889-F894 HydrophobicContact CZ-CE2 4.41Å; L890-F894 HydrophobicContact CD2-CD2 4.07Å; L890-F894 CarbonylContact O-C 3.55Å; L890-F894 WeakPolarHBondContact O-CA 3.33Å; L890-F894 WeakPolarHBondContact O-CB 3.41Å; L890-F894 PolarHBondContact O-N 3.29Å; L890-F894 VanDerWaalsContact O-N 3.12Å; F894-V896 HydrophobicContact CB-CG2 3.86Å; F894-V896 PolarHBondContact O-N 2.99Å; F894-V923 HydrophobicContact CB-CG1 4.32Å; F894-V923 HydrophobicContact CD1-CG1 4.3Å; F894-T930 WeakPolarHBondContact O-CG2 3.3Å
895	G	87.4	Confident	91.1	Very high	31 Å²	31	43.2 Å²	43.2	32%	0.32	22%	0.217	S	C	.	.			trans	66.1	27.1	179.3	0	0	0	0	0	112.8	K73 L890 R891	K73-G895 PolarHBondContact NZ-O 3.28Å; L890-G895 PolarHBondContact O-N 3.11Å; R891-G895 WeakPolarHBondContact O-CA 3.35Å; R891-G895 PolarHBondContact O-N 3.11Å
896	V	91.5	Very high	91.1	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.006	23%	0.227	C	C	.	.			trans	-80.8	125.9	179.1	-171.9	0	0	0	0	109.2	L890 F894 E898 T900 L901 L921 V923 A932	L890-V896 PolarHBondContact O-N 3.01Å; F894-V896 HydrophobicContact CB-CG2 3.86Å; F894-V896 PolarHBondContact O-N 2.99Å; V896-E898 PolarHBondContact O-N 3.32Å; V896-T900 HydrophobicContact CG1-CG2 4.42Å; V896-L901 HydrophobicContact CB-CD1 4.3Å; V896-L901 HydrophobicContact CB-CD2 4.14Å; V896-L901 HydrophobicContact CB-CG 4.15Å; V896-L901 HydrophobicContact CG1-CD1 4.39Å; V896-L901 HydrophobicContact CG1-CD2 3.71Å; V896-L901 HydrophobicContact CG1-CG 3.72Å; V896-L921 HydrophobicContact CG1-CD1 4.41Å; V896-L921 HydrophobicContact CG1-CD2 4.27Å; V896-V923 HydrophobicContact CG2-CG1 4.34Å; V896-V923 HydrophobicContact CG2-CG2 3.71Å; V896-A932 HydrophobicContact CG1-CB 4.24Å; V896-A932 HydrophobicContact CG2-CB 4.24Å
897	P	89.8	Confident	91.1	Very high	23 Å²	23	46.7 Å²	46.7	15%	0.149	23%	0.228	C	C	.	.			trans	-59.9	135.2	178.4	-26.8	37.6	0	0	0	112	K73 E74 V899 T900 L901	K73-P897 HydrophobicContact CB-CG 4.13Å; K73-P897 HydrophobicContact CD-CG 4.26Å; E74-P897 WeakPolarHBondContact O-CB 3.32Å; E74-P897 VanDerWaalsContact O-CG 3.29Å; E74-P897 WeakPolarHBondContact O-CG 3.45Å; P897-V899 HydrophobicContact CB-CG1 4.13Å; P897-V899 PolarHBondContact O-N 3.42Å; P897-T900 VanDerWaalsContact O-CB 3.31Å; P897-T900 WeakPolarHBondContact O-CB 3.38Å; P897-T900 PolarHBondContact O-N 2.83Å; P897-L901 PolarHBondContact O-N 3.06Å; P897-L901 VanDerWaalsContact O-N 3.11Å
898	E	90.7	Very high	90.8	Very high	59 Å²	59	50.9 Å²	50.9	28%	0.276	26%	0.256	S	S	.	.	H	α-helix	trans	-62.6	-32.6	-175.5	-170.5	172.4	145.3	0	0	112.6	I887 R891 V896 T900 L901 R902	I887-E898 HydrophobicContact CG2-CG 3.85Å; R891-E898 IonicContact NH1-OE2 2.83Å; R891-E898 PolarHBondContact NH1-OE2 2.93Å; V896-E898 PolarHBondContact O-N 3.32Å; E898-T900 VanDerWaalsContact C-N 3.29Å; E898-T900 PolarHBondContact O-N 3.46Å; E898-L901 WeakPolarHBondContact O-CB 3.23Å; E898-L901 PolarHBondContact O-N 3.18Å; E898-R902 HydrophobicContact CG-CG 4.38Å; E898-R902 WeakPolarHBondContact O-CB 3.24Å; E898-R902 WeakPolarHBondContact O-CG 3.18Å; E898-R902 PolarHBondContact O-N 3.42Å; E898-R902 IonicContact OE1-CZ 2.92Å; E898-R902 IonicContact OE1-NE 2.91Å; E898-R902 PolarHBondContact OE1-NE 3.26Å; E898-R902 IonicContact OE1-NH2 3.17Å; E898-R902 PolarHBondContact OE1-NH2 2.81Å
899	V	89.2	Confident	90.3	Very high	48 Å²	48	53.8 Å²	53.8	29%	0.291	26%	0.264	S	S	.	.	H	α-helix	trans	-60.1	-39.5	173	69.1	0	0	0	0	112.1	D76 P897 R903	D76-V899 HydrophobicContact CB-CB 4.43Å; D76-V899 HydrophobicContact CB-CG1 4.06Å; P897-V899 HydrophobicContact CB-CG1 4.13Å; P897-V899 PolarHBondContact O-N 3.42Å; V899-R903 WeakPolarHBondContact O-CB 3.1Å; V899-R903 PolarHBondContact O-N 3.02Å
900	T	92.6	Very high	90	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-68.2	-46	178.3	-60	0	0	0	0	110.1	V896 P897 E898 R903 F904 L921 I934	V896-T900 HydrophobicContact CG1-CG2 4.42Å; P897-T900 VanDerWaalsContact O-CB 3.31Å; P897-T900 WeakPolarHBondContact O-CB 3.38Å; P897-T900 PolarHBondContact O-N 2.83Å; E898-T900 VanDerWaalsContact C-N 3.29Å; E898-T900 PolarHBondContact O-N 3.46Å; T900-R903 PolarHBondContact O-N 3.31Å; T900-F904 PolarHBondContact O-N 2.82Å; T900-L921 HydrophobicContact CG2-CD1 4.02Å; T900-I934 HydrophobicContact CG2-CD1 4.17Å; T900-I934 HydrophobicContact CG2-CG1 3.91Å
901	L	94.7	Very high	89.5	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-54.6	-56.2	174.3	-71.7	178.1	0	0	0	110.7	Y882 I887 L890 R891 V896 P897 E898 R903 F904 L905 L921	Y882-L901 HydrophobicContact CE1-CD2 3.88Å; Y882-L901 WeakPolarHBondContact OH-CA 3.14Å; Y882-L901 WeakPolarHBondContact OH-CB 3.05Å; Y882-L901 PolarHBondContact OH-O 2.98Å; I887-L901 HydrophobicContact CB-CD1 4.5Å; I887-L901 HydrophobicContact CG2-CD1 4.01Å; L890-L901 HydrophobicContact CB-CD1 3.84Å; L890-L901 HydrophobicContact CB-CD2 3.92Å; L890-L901 HydrophobicContact CD1-CD2 3.63Å; L890-L901 HydrophobicContact CG-CD2 4.4Å; R891-L901 HydrophobicContact CB-CD1 4.45Å; V896-L901 HydrophobicContact CB-CD1 4.3Å; V896-L901 HydrophobicContact CB-CD2 4.14Å; V896-L901 HydrophobicContact CB-CG 4.15Å; V896-L901 HydrophobicContact CG1-CD1 4.39Å; V896-L901 HydrophobicContact CG1-CD2 3.71Å; V896-L901 HydrophobicContact CG1-CG 3.72Å; P897-L901 PolarHBondContact O-N 3.06Å; P897-L901 VanDerWaalsContact O-N 3.11Å; E898-L901 WeakPolarHBondContact O-CB 3.23Å; E898-L901 PolarHBondContact O-N 3.18Å; L901-R903 VanDerWaalsContact C-N 3.26Å; L901-R903 PolarHBondContact O-N 3.32Å; L901-F904 WeakPolarHBondContact O-CB 3.43Å; L901-F904 PolarHBondContact O-N 3.21Å; L901-F904 VanDerWaalsContact O-N 3.07Å; L901-L905 PolarHBondContact O-N 3.09Å; L901-L921 HydrophobicContact CD2-CD2 3.74Å
902	R	93.4	Very high	89.2	Confident	130 Å²	130	51.9 Å²	51.9	49%	0.491	28%	0.283	S	S	.	.	H	α-helix	trans	-60.2	-34.5	179.8	-70.3	178.6	-178.2	-76.4	1.4	112.9	I887 E898 K906	I887-R902 HydrophobicContact CD1-CG 4.38Å; E898-R902 HydrophobicContact CG-CG 4.38Å; E898-R902 WeakPolarHBondContact O-CB 3.24Å; E898-R902 WeakPolarHBondContact O-CG 3.18Å; E898-R902 PolarHBondContact O-N 3.42Å; E898-R902 IonicContact OE1-CZ 2.92Å; E898-R902 IonicContact OE1-NE 2.91Å; E898-R902 PolarHBondContact OE1-NE 3.26Å; E898-R902 IonicContact OE1-NH2 3.17Å; E898-R902 PolarHBondContact OE1-NH2 2.81Å; R902-K906 WeakPolarHBondContact O-CG 3.4Å
903	R	92.3	Very high	88.8	Confident	58 Å²	58	52.5 Å²	52.5	22%	0.219	29%	0.293	C	S	.	.	H	α-helix	trans	-68.7	-43.7	174.4	-166.1	174.3	80.5	-102.5	6.8	111.6	E74 V899 T900 L901 L905 K906 M907 I934	E74-R903 IonicContact OE1-CZ 2.91Å; E74-R903 VanDerWaalsContact OE1-CZ 3.23Å; E74-R903 IonicContact OE1-NH1 3.37Å; E74-R903 PolarHBondContact OE1-NH1 3.28Å; E74-R903 IonicContact OE1-NH2 3.78Å; E74-R903 PolarHBondContact OE1-NH2 3.45Å; E74-R903 IonicContact OE2-CZ 3.91Å; E74-R903 IonicContact OE2-NH1 3.79Å; E74-R903 PolarHBondContact OE2-NH1 3.47Å; E74-R903 IonicContact OE2-NH2 2.88Å; E74-R903 PolarHBondContact OE2-NH2 2.83Å; V899-R903 WeakPolarHBondContact O-CB 3.1Å; V899-R903 PolarHBondContact O-N 3.02Å; T900-R903 PolarHBondContact O-N 3.31Å; L901-R903 VanDerWaalsContact C-N 3.26Å; L901-R903 PolarHBondContact O-N 3.32Å; R903-L905 VanDerWaalsContact C-N 3.33Å; R903-L905 PolarHBondContact O-N 3.41Å; R903-K906 PolarHBondContact O-N 2.92Å; R903-K906 VanDerWaalsContact O-N 3.14Å; R903-M907 HydrophobicContact CG-CE 4.49Å; R903-M907 PolarHBondContact O-N 2.92Å; R903-I934 HydrophobicContact CB-CD1 4.31Å
904	F	94.5	Very high	88.8	Confident	3 Å²	3	54.7 Å²	54.7	1%	0.013	30%	0.304	C	S	.	.	H	α-helix	trans	-60.2	-40.7	178.3	-170.5	-112.9	0	0	0	112.5	L879 L880 Y882 T900 L901 K906 M907 P919 L921 I934	L879-F904 VanDerWaalsContact O-CZ 3.24Å; L879-F904 WeakPolarHBondContact O-CZ 3.41Å; L880-F904 WeakPolarHBondContact O-CZ 3.46Å; Y882-F904 AromaticContact CD1-CD1 3.7Å; Y882-F904 HydrophobicContact CD1-CD1 3.7Å; Y882-F904 HydrophobicContact CD1-CE1 4.13Å; Y882-F904 HydrophobicContact CE1-CB 4.36Å; Y882-F904 AromaticContact CE1-CD1 3.65Å; Y882-F904 HydrophobicContact CE1-CD1 3.65Å; Y882-F904 HydrophobicContact CE1-CG 4.48Å; T900-F904 PolarHBondContact O-N 2.82Å; L901-F904 WeakPolarHBondContact O-CB 3.43Å; L901-F904 PolarHBondContact O-N 3.21Å; L901-F904 VanDerWaalsContact O-N 3.07Å; F904-K906 PolarHBondContact O-N 3.04Å; F904-M907 HydrophobicContact CD2-SD 4.42Å; F904-M907 WeakPolarHBondContact O-CB 3.45Å; F904-M907 PolarHBondContact O-N 3.27Å; F904-M907 VanDerWaalsContact O-N 3.09Å; F904-P919 HydrophobicContact CE2-CB 4Å; F904-L921 HydrophobicContact CD1-CB 4.07Å; F904-L921 HydrophobicContact CD2-CB 4.04Å; F904-L921 HydrophobicContact CE1-CB 3.98Å; F904-L921 HydrophobicContact CE2-CB 3.97Å; F904-L921 HydrophobicContact CG-CB 4.08Å; F904-L921 HydrophobicContact CZ-CB 3.94Å; F904-I934 HydrophobicContact CB-CD1 3.62Å; F904-I934 HydrophobicContact CB-CG1 4.13Å; F904-I934 HydrophobicContact CD2-CB 4.41Å; F904-I934 HydrophobicContact CD2-CD1 3.96Å; F904-I934 HydrophobicContact CD2-CG1 3.87Å; F904-I934 HydrophobicContact CD2-CG2 3.76Å; F904-I934 HydrophobicContact CE2-CG2 4.15Å; F904-I934 HydrophobicContact CG-CD1 4.28Å; F904-I934 HydrophobicContact CG-CG1 4.39Å
905	L	92.4	Very high	88.6	Confident	35 Å²	35	56.6 Å²	56.6	18%	0.183	33%	0.325	C	S	.	.	H	α-helix	trans	-60.5	-33	176.1	-78.1	170.4	0	0	0	113.7	R881 Y882 P884 I887 L901 R903 M907	R881-L905 PolarHBondContact NH1-O 3.28Å; Y882-L905 HydrophobicContact CD2-CD2 4.34Å; Y882-L905 HydrophobicContact CE1-CD2 4.2Å; Y882-L905 HydrophobicContact CE1-CG 3.96Å; Y882-L905 HydrophobicContact CE2-CD1 3.79Å; Y882-L905 HydrophobicContact CE2-CD2 3.94Å; Y882-L905 HydrophobicContact CE2-CG 3.89Å; Y882-L905 VanDerWaalsContact CZ-CG 3.44Å; Y882-L905 WeakPolarHBondContact O-CD2 3.39Å; Y882-L905 WeakPolarHBondContact OH-CD1 3.42Å; Y882-L905 VanDerWaalsContact OH-CG 3.24Å; Y882-L905 WeakPolarHBondContact OH-CG 3.49Å; P884-L905 HydrophobicContact CB-CD1 4.38Å; P884-L905 HydrophobicContact CG-CD1 4.25Å; I887-L905 HydrophobicContact CD1-CD1 3.94Å; I887-L905 HydrophobicContact CG1-CD1 4.44Å; L901-L905 PolarHBondContact O-N 3.09Å; R903-L905 VanDerWaalsContact C-N 3.33Å; R903-L905 PolarHBondContact O-N 3.41Å; L905-M907 VanDerWaalsContact C-N 3.26Å; L905-M907 PolarHBondContact O-N 3.32Å
906	K	92.7	Very high	88.7	Confident	182 Å²	182	55.4 Å²	55.4	79%	0.791	31%	0.312	S	S	*	.	H	α-helix	trans	-75.7	-14.4	178.7	-68.9	174.6	-179.4	-178.9	0	113	R902 R903 F904	R902-K906 WeakPolarHBondContact O-CG 3.4Å; R903-K906 PolarHBondContact O-N 2.92Å; R903-K906 VanDerWaalsContact O-N 3.14Å; F904-K906 PolarHBondContact O-N 3.04Å
907	M	91.2	Very high	88.6	Confident	19 Å²	19	55.8 Å²	55.8	9%	0.094	32%	0.316	C	S	.	.	S	Bend	trans	-73.1	145.4	178.1	-65.8	-170.1	172.3	0	0	111.2	E479 R881 R903 F904 L905 P919 I934	E479-M907 VanDerWaalsContact OE2-CE 3.28Å; E479-M907 WeakPolarHBondContact OE2-CE 3.46Å; R881-M907 PolarHBondContact NH1-O 2.87Å; R903-M907 HydrophobicContact CG-CE 4.49Å; R903-M907 PolarHBondContact O-N 2.92Å; F904-M907 HydrophobicContact CD2-SD 4.42Å; F904-M907 WeakPolarHBondContact O-CB 3.45Å; F904-M907 PolarHBondContact O-N 3.27Å; F904-M907 VanDerWaalsContact O-N 3.09Å; L905-M907 VanDerWaalsContact C-N 3.26Å; L905-M907 PolarHBondContact O-N 3.32Å; M907-P919 HydrophobicContact CB-CG 4.49Å; M907-P919 HydrophobicContact SD-CB 3.98Å; M907-I934 HydrophobicContact CE-CD1 4Å; M907-I934 HydrophobicContact CE-CG2 3.86Å; M907-I934 HydrophobicContact SD-CD1 4.4Å; M907-I934 HydrophobicContact SD-CG2 3.64Å
908	P	86.1	Confident	88.7	Confident	101 Å²	101	56.1 Å²	56.1	66%	0.656	32%	0.318	S	S	*	.	P	Polyproline II helix	trans	-57.8	147.5	173.2	-23.2	33.5	0	0	0	112.4
909	E	81.7	Confident	88.9	Confident	120 Å²	120	53.5 Å²	53.5	56%	0.561	31%	0.306	S	S	*	.	S	Bend	trans	-78.7	145.6	175.9	-64.5	-178.9	-176	0	0	111.4	R881	R881-E909 IonicContact CZ-OE1 3.91Å; R881-E909 IonicContact NE-OE1 3.24Å; R881-E909 PolarHBondContact NE-OE1 2.73Å; R881-E909 IonicContact NH2-OE1 2.69Å; R881-E909 PolarHBondContact NH2-OE1 3.21Å
910	G	82.5	Confident	89.2	Confident	26 Å²	26	51.2 Å²	51.2	27%	0.268	29%	0.292	S	S	.	.	S	Bend	trans	76.5	-161.6	175.3	0	0	0	0	0	114.5	P919	G910-P919 VanDerWaalsContact O-CD 3.26Å; G910-P919 WeakPolarHBondContact O-CD 3.18Å
911	A	82.4	Confident	89.3	Confident	75 Å²	75	51.2 Å²	51.2	62%	0.62	29%	0.292	S	S	*	.	S	Bend	trans	-68.8	131.8	-177.5	0	0	0	0	0	111	V918	A911-V918 HydrophobicContact CB-CG2 4.14Å
912	A	84.2	Confident	89.4	Confident	18 Å²	18	51.2 Å²	51.2	15%	0.149	29%	0.292	C	S	.	.			trans	-64.3	140	178.5	0	0	0	0	0	111.4	D914 G915 S916 G917	A912-D914 WeakPolarHBondContact CB-OD1 3.34Å; A912-D914 PolarHBondContact O-N 3.46Å; A912-D914 VanDerWaalsContact O-N 3.12Å; A912-G915 PolarHBondContact O-N 2.82Å; A912-S916 VanDerWaalsContact CB-OG 3.22Å; A912-S916 WeakPolarHBondContact CB-OG 2.95Å; A912-G917 WeakPolarHBondContact CB-O 3.19Å; A912-G917 PolarHBondContact N-O 3.35Å
913	P	80	Confident	89.5	Confident	118 Å²	118	45.1 Å²	45.1	77%	0.766	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-24.7	-177.8	-24.9	33.7	0	0	0	114.6	G915	P913-G915 VanDerWaalsContact C-N 3.27Å
914	D	85.8	Confident	89.6	Confident	97 Å²	97	42.5 Å²	42.5	52%	0.519	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-6	179.8	68	-13.2	0	0	0	113.4	W156 A912 S916	W156-D914 HydrophobicContact CH2-CB 4.01Å; W156-D914 WeakPolarHBondContact CH2-O 3.26Å; W156-D914 WeakPolarHBondContact CZ2-O 3.29Å; A912-D914 WeakPolarHBondContact CB-OD1 3.34Å; A912-D914 PolarHBondContact O-N 3.46Å; A912-D914 VanDerWaalsContact O-N 3.12Å; D914-S916 VanDerWaalsContact C-N 3.34Å; D914-S916 VanDerWaalsContact OD1-CB 3.26Å; D914-S916 WeakPolarHBondContact OD1-CB 3.47Å; D914-S916 PolarHBondContact OD1-N 3.45Å; D914-S916 PolarHBondContact OD1-OG 3.48Å; D914-S916 PolarHBondContact OD2-OG 2.87Å
915	G	85.5	Confident	89.5	Confident	44 Å²	44	44.6 Å²	44.6	45%	0.454	27%	0.267	S	S	.	.	S	Bend	trans	81.7	8.9	-177.4	0	0	0	0	0	114.2	A912 P913 G917 T938	A912-G915 PolarHBondContact O-N 2.82Å; P913-G915 VanDerWaalsContact C-N 3.27Å; G915-G917 PolarHBondContact O-N 3.43Å; G915-T938 WeakPolarHBondContact O-CG2 3.22Å
916	S	89.2	Confident	89.4	Confident	6 Å²	6	43.5 Å²	43.5	4%	0.042	26%	0.262	C	S	.	.			trans	-69.3	-7	176.2	62.3	0	0	0	0	113.8	H477 A912 D914 T938	H477-S916 PolarHBondContact NE2-O 3.48Å; A912-S916 VanDerWaalsContact CB-OG 3.22Å; A912-S916 WeakPolarHBondContact CB-OG 2.95Å; D914-S916 VanDerWaalsContact C-N 3.34Å; D914-S916 VanDerWaalsContact OD1-CB 3.26Å; D914-S916 WeakPolarHBondContact OD1-CB 3.47Å; D914-S916 PolarHBondContact OD1-N 3.45Å; D914-S916 PolarHBondContact OD1-OG 3.48Å; D914-S916 PolarHBondContact OD2-OG 2.87Å; S916-T938 PolarHBondContact O-OG1 3.31Å
917	G	90.7	Very high	89	Confident	10 Å²	10	40.6 Å²	40.6	10%	0.103	25%	0.249	C	C	.	.			trans	97.7	-168.7	178.3	0	0	0	0	0	114.1	A912 G915 F937	A912-G917 WeakPolarHBondContact CB-O 3.19Å; A912-G917 PolarHBondContact N-O 3.35Å; G915-G917 PolarHBondContact O-N 3.43Å; G917-F937 CarbonylContact C-O 3.6Å; G917-F937 VanDerWaalsContact CA-O 3.25Å; G917-F937 WeakPolarHBondContact CA-O 3.29Å
918	V	92	Very high	88.5	Confident	29 Å²	29	44.8 Å²	44.8	18%	0.176	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	132.2	-175.3	-175.7	0	0	0	0	109.5	L880 A911 V920 F937	L880-V918 HydrophobicContact CD2-CG1 4.08Å; A911-V918 HydrophobicContact CB-CG2 4.14Å; V918-V920 PolarHBondContact O-N 3.09Å; V918-F937 PolarHBondContact N-O 2.79Å; V918-F937 PolarHBondContact O-N 2.54Å
919	P	94.1	Very high	88.5	Confident	5 Å²	5	40.9 Å²	40.9	3%	0.032	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	129.3	171.9	30.1	-32.5	0	0	0	110.3	F904 M907 G910 L935	F904-P919 HydrophobicContact CE2-CB 4Å; M907-P919 HydrophobicContact CB-CG 4.49Å; M907-P919 HydrophobicContact SD-CB 3.98Å; G910-P919 VanDerWaalsContact O-CD 3.26Å; G910-P919 WeakPolarHBondContact O-CD 3.18Å; P919-L935 CarbonylContact C-O 3.6Å; P919-L935 WeakPolarHBondContact CA-O 3.48Å
920	V	95	Very high	88.9	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	123.6	178.1	-170.1	0	0	0	0	108.3	M476 W878 L879 L880 V918 A922 L935 F937	M476-V920 HydrophobicContact CE-CB 4.19Å; M476-V920 HydrophobicContact CE-CG2 4.29Å; W878-V920 HydrophobicContact CE3-CG1 4.05Å; L879-V920 WeakPolarHBondContact O-CA 3.33Å; L880-V920 HydrophobicContact CD2-CB 4.42Å; L880-V920 HydrophobicContact CD2-CG1 4.26Å; L880-V920 HydrophobicContact CD2-CG2 3.66Å; V918-V920 PolarHBondContact O-N 3.09Å; V920-A922 PolarHBondContact O-N 2.89Å; V920-L935 PolarHBondContact N-O 3.47Å; V920-L935 PolarHBondContact O-N 2.96Å; V920-F937 HydrophobicContact CG2-CB 3.62Å
921	L	95.9	Very high	89.4	Confident	0 Å²	0	35 Å²	35	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	104.3	165.2	173.3	62.7	0	0	0	107.6	L879 V896 T900 L901 F904 V923 I934	L879-L921 HydrophobicContact CB-CB 3.99Å; L879-L921 WeakPolarHBondContact CB-O 3.46Å; L879-L921 HydrophobicContact CD1-CD2 3.89Å; L879-L921 HydrophobicContact CD1-CG 4.34Å; L879-L921 PolarHBondContact N-O 2.9Å; L879-L921 PolarHBondContact O-N 3.42Å; V896-L921 HydrophobicContact CG1-CD1 4.41Å; V896-L921 HydrophobicContact CG1-CD2 4.27Å; T900-L921 HydrophobicContact CG2-CD1 4.02Å; L901-L921 HydrophobicContact CD2-CD2 3.74Å; F904-L921 HydrophobicContact CD1-CB 4.07Å; F904-L921 HydrophobicContact CD2-CB 4.04Å; F904-L921 HydrophobicContact CE1-CB 3.98Å; F904-L921 HydrophobicContact CE2-CB 3.97Å; F904-L921 HydrophobicContact CG-CB 4.08Å; F904-L921 HydrophobicContact CZ-CB 3.94Å; L921-V923 HydrophobicContact CG-CG2 4.27Å; L921-I934 HydrophobicContact CD1-CG1 4.2Å
922	A	95.7	Very high	89.9	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	124.5	-179.1	0	0	0	0	0	109.6	W878 V920 F924 A932 R933 L935	W878-A922 HydrophobicContact CE3-CB 4.04Å; W878-A922 HydrophobicContact CZ3-CB 3.86Å; V920-A922 PolarHBondContact O-N 2.89Å; A922-F924 HydrophobicContact CB-CD2 4.43Å; A922-F924 HydrophobicContact CB-CE2 3.45Å; A922-F924 VanDerWaalsContact CB-CE2 3.45Å; A922-F924 HydrophobicContact CB-CZ 3.75Å; A922-A932 WeakPolarHBondContact O-CA 3.49Å; A922-R933 PolarHBondContact N-O 2.82Å; A922-R933 PolarHBondContact O-N 2.77Å; A922-L935 HydrophobicContact CB-CD1 3.86Å
923	V	95.4	Very high	90.4	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.006	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	129.1	179.3	-174.2	0	0	0	0	109.7	T876 L877 F894 V896 L921 T930 L931 A932	T876-V923 CarbonylContact C-O 3.56Å; T876-V923 WeakPolarHBondContact CA-O 3.49Å; L877-V923 HydrophobicContact CB-CB 4.17Å; L877-V923 PolarHBondContact N-O 2.75Å; L877-V923 PolarHBondContact O-N 3.37Å; F894-V923 HydrophobicContact CB-CG1 4.32Å; F894-V923 HydrophobicContact CD1-CG1 4.3Å; V896-V923 HydrophobicContact CG2-CG1 4.34Å; V896-V923 HydrophobicContact CG2-CG2 3.71Å; L921-V923 HydrophobicContact CG-CG2 4.27Å; V923-T930 HydrophobicContact CG1-CG2 3.55Å; V923-L931 CarbonylContact C-O 3.57Å; V923-L931 VanDerWaalsContact CA-O 3.25Å; V923-L931 WeakPolarHBondContact CA-O 3.47Å; V923-A932 HydrophobicContact CG1-CB 4.42Å; V923-A932 HydrophobicContact CG2-CB 4.22Å
924	F	94.4	Very high	91.1	Very high	3 Å²	3	26 Å²	26	1%	0.013	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	117.8	-176.9	-50.4	-89.7	0	0	0	111.3	W468 W484 V486 N875 T876 W878 A922 V926 T930 L931	W468-F924 HydrophobicContact CH2-CB 3.63Å; W468-F924 AromaticContact CH2-CD1 3.6Å; W468-F924 HydrophobicContact CH2-CD1 3.6Å; W468-F924 HydrophobicContact CH2-CD2 4.01Å; W468-F924 HydrophobicContact CH2-CE1 4.2Å; W468-F924 AromaticContact CH2-CG 3.49Å; W468-F924 HydrophobicContact CH2-CG 3.49Å; W468-F924 VanDerWaalsContact CH2-CG 3.49Å; W468-F924 HydrophobicContact CZ3-CB 4.37Å; W468-F924 HydrophobicContact CZ3-CD1 4.18Å; W468-F924 AromaticContact CZ3-CD2 3.97Å; W468-F924 HydrophobicContact CZ3-CD2 3.97Å; W468-F924 HydrophobicContact CZ3-CE1 4.43Å; W468-F924 HydrophobicContact CZ3-CE2 4.23Å; W468-F924 AromaticContact CZ3-CG 3.94Å; W468-F924 HydrophobicContact CZ3-CG 3.94Å; W468-F924 HydrophobicContact CZ3-CZ 4.45Å; W484-F924 AromaticContact CH2-CD2 3.9Å; W484-F924 HydrophobicContact CH2-CD2 3.9Å; W484-F924 AromaticContact CH2-CE2 3.58Å; W484-F924 HydrophobicContact CH2-CE2 3.58Å; W484-F924 HydrophobicContact CZ3-CD2 4.39Å; W484-F924 AromaticContact CZ3-CE2 3.63Å; W484-F924 HydrophobicContact CZ3-CE2 3.63Å; W484-F924 HydrophobicContact CZ3-CZ 4.26Å; V486-F924 HydrophobicContact CG1-CE1 3.83Å; V486-F924 HydrophobicContact CG1-CZ 3.83Å; V486-F924 HydrophobicContact CG2-CZ 4.2Å; N875-F924 CarbonylContact O-C 3.48Å; N875-F924 WeakPolarHBondContact O-CA 3.38Å; T876-F924 HydrophobicContact CG2-CD1 3.64Å; T876-F924 HydrophobicContact CG2-CE1 3.59Å; W878-F924 AromaticContact CH2-CE1 3.75Å; W878-F924 HydrophobicContact CH2-CE1 3.75Å; W878-F924 AromaticContact CH2-CZ 3.51Å; W878-F924 HydrophobicContact CH2-CZ 3.51Å; W878-F924 AromaticContact CZ2-CE1 3.8Å; W878-F924 HydrophobicContact CZ2-CE1 3.8Å; W878-F924 HydrophobicContact CZ2-CZ 4.06Å; W878-F924 HydrophobicContact CZ3-CE1 4.35Å; W878-F924 AromaticContact CZ3-CZ 3.79Å; W878-F924 HydrophobicContact CZ3-CZ 3.79Å; A922-F924 HydrophobicContact CB-CD2 4.43Å; A922-F924 HydrophobicContact CB-CE2 3.45Å; A922-F924 VanDerWaalsContact CB-CE2 3.45Å; A922-F924 HydrophobicContact CB-CZ 3.75Å; F924-V926 HydrophobicContact CB-CG1 4.36Å; F924-V926 PolarHBondContact O-N 3.13Å; F924-T930 CarbonylContact O-C 3.32Å; F924-T930 WeakPolarHBondContact O-CA 3.35Å; F924-L931 HydrophobicContact CB-CB 4.37Å; F924-L931 HydrophobicContact CD2-CB 4.3Å; F924-L931 PolarHBondContact N-O 2.89Å; F924-L931 PolarHBondContact O-N 3.35Å
925	R	91.8	Very high	91.6	Very high	48 Å²	48	21.4 Å²	21.4	18%	0.181	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	112.6	169.2	-61.6	-177.2	-178.8	154.9	-10.3	109.3	K872 A874 N875 N893 T930	K872-R925 PolarHBondContact O-NH1 2.85Å; A874-R925 WeakPolarHBondContact O-CD 3.36Å; A874-R925 PolarHBondContact O-NH1 3.33Å; N875-R925 PolarHBondContact ND2-O 3.05Å; N875-R925 PolarHBondContact O-N 3.48Å; N893-R925 PolarHBondContact O-NH2 2.83Å; R925-T930 HydrophobicContact CG-CG2 4.35Å
926	V	90.5	Very high	92.1	Very high	12 Å²	12	20.6 Å²	20.6	7%	0.073	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	172.7	-179.8	-59.3	0	0	0	0	109.9	V467 W468 Q492 Q493 F924 N928 G929 L931	V467-V926 HydrophobicContact CG1-CG2 4.36Å; V467-V926 HydrophobicContact CG2-CG1 4.01Å; W468-V926 HydrophobicContact CH2-CG1 4.18Å; W468-V926 HydrophobicContact CZ2-CG1 3.98Å; Q492-V926 CarbonylContact O-C 3.51Å; Q492-V926 VanDerWaalsContact O-CA 3.27Å; Q492-V926 WeakPolarHBondContact O-CA 3.39Å; Q492-V926 WeakPolarHBondContact O-CB 3.4Å; Q493-V926 HydrophobicContact CG-CG1 4.06Å; F924-V926 HydrophobicContact CB-CG1 4.36Å; F924-V926 PolarHBondContact O-N 3.13Å; V926-N928 PolarHBondContact O-N 3.46Å; V926-G929 VanDerWaalsContact CG2-O 3.27Å; V926-G929 WeakPolarHBondContact CG2-O 3.47Å; V926-G929 PolarHBondContact N-O 3.38Å; V926-G929 PolarHBondContact O-N 3.36Å; V926-L931 HydrophobicContact CB-CD1 4.16Å; V926-L931 HydrophobicContact CG1-CD1 3.71Å; V926-L931 HydrophobicContact CG2-CD1 3.32Å
927	K	85.4	Confident	92.3	Very high	120 Å²	120	21 Å²	21	52%	0.522	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-34.3	179.8	-72.6	172.9	178.5	169.9	0	113.8	S491 Q492 N494	S491-K927 WeakPolarHBondContact O-CE 3.3Å; S491-K927 PolarHBondContact O-NZ 3.31Å; Q492-K927 PolarHBondContact O-N 3.29Å; N494-K927 WeakPolarHBondContact OD1-CE 3.46Å
928	N	79.5	Confident	92.5	Very high	108 Å²	108	21 Å²	21	58%	0.578	11%	0.107	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.4	17	-174.9	-61.2	-3.3	0	0	0	113.5	L72 V926	L72-N928 WeakPolarHBondContact CD1-O 3.4Å; V926-N928 PolarHBondContact O-N 3.46Å
929	G	86.8	Confident	92.5	Very high	19 Å²	19	20.7 Å²	20.7	20%	0.196	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	129.9	-154.4	177.7	0	0	0	0	0	113.4	V926	V926-G929 VanDerWaalsContact CG2-O 3.27Å; V926-G929 WeakPolarHBondContact CG2-O 3.47Å; V926-G929 PolarHBondContact N-O 3.38Å; V926-G929 PolarHBondContact O-N 3.36Å
930	T	90.7	Very high	92.3	Very high	23 Å²	23	20.5 Å²	20.5	14%	0.141	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	123.4	179	-58.1	0	0	0	0	109.8	K73 F894 V923 F924 R925	K73-T930 WeakPolarHBondContact CE-O 3.47Å; K73-T930 WeakPolarHBondContact CG-O 3.21Å; F894-T930 WeakPolarHBondContact O-CG2 3.3Å; V923-T930 HydrophobicContact CG1-CG2 3.55Å; F924-T930 CarbonylContact O-C 3.32Å; F924-T930 WeakPolarHBondContact O-CA 3.35Å; R925-T930 HydrophobicContact CG-CG2 4.35Å
931	L	92.6	Very high	92.1	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	133.5	166.8	-68.3	83.8	0	0	0	108.6	L72 L232 V467 W484 V923 F924 V926	L72-L931 HydrophobicContact CD2-CD1 3.64Å; L72-L931 HydrophobicContact CD2-CG 3.76Å; L72-L931 VanDerWaalsContact O-CA 3.25Å; L72-L931 WeakPolarHBondContact O-CA 3.36Å; L232-L931 HydrophobicContact CD1-CD2 4.45Å; V467-L931 HydrophobicContact CG1-CD1 3.93Å; V467-L931 HydrophobicContact CG1-CD2 4.23Å; V467-L931 HydrophobicContact CG2-CD1 4.21Å; V467-L931 HydrophobicContact CG2-CD2 4.31Å; W484-L931 HydrophobicContact CH2-CD2 4.1Å; W484-L931 HydrophobicContact CZ2-CD2 3.72Å; V923-L931 CarbonylContact C-O 3.57Å; V923-L931 VanDerWaalsContact CA-O 3.25Å; V923-L931 WeakPolarHBondContact CA-O 3.47Å; F924-L931 HydrophobicContact CB-CB 4.37Å; F924-L931 HydrophobicContact CD2-CB 4.3Å; F924-L931 PolarHBondContact N-O 2.89Å; F924-L931 PolarHBondContact O-N 3.35Å; V926-L931 HydrophobicContact CB-CD1 4.16Å; V926-L931 HydrophobicContact CG1-CD1 3.71Å; V926-L931 HydrophobicContact CG2-CD1 3.32Å
932	A	93.6	Very high	91.8	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	114.5	174.4	0	0	0	0	0	109.1	L72 K73 V896 A922 V923	L72-A932 PolarHBondContact O-N 3.34Å; K73-A932 HydrophobicContact CG-CB 4.25Å; V896-A932 HydrophobicContact CG1-CB 4.24Å; V896-A932 HydrophobicContact CG2-CB 4.24Å; A922-A932 WeakPolarHBondContact O-CA 3.49Å; V923-A932 HydrophobicContact CG1-CB 4.42Å; V923-A932 HydrophobicContact CG2-CB 4.22Å
933	R	94.1	Very high	91.4	Very high	11 Å²	11	23.1 Å²	23.1	4%	0.042	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	143	-176.5	-154.6	68.1	76.9	165.3	-1.9	111.6	A71 K73 E74 R463 A464 A922 L935	A71-R933 PolarHBondContact O-NH2 3.16Å; K73-R933 PolarHBondContact O-NH2 3.49Å; K73-R933 VanDerWaalsContact O-NH2 3.09Å; E74-R933 VanDerWaalsContact CA-NH1 3.3Å; E74-R933 VanDerWaalsContact CB-NH1 3.28Å; R463-R933 PolarHBondContact O-NH2 2.84Å; A464-R933 HydrophobicContact CB-CG 4.39Å; A922-R933 PolarHBondContact N-O 2.82Å; A922-R933 PolarHBondContact O-N 2.77Å; R933-L935 HydrophobicContact CB-CD2 4.23Å; R933-L935 HydrophobicContact CB-CG 4.31Å; R933-L935 HydrophobicContact CG-CD2 4.05Å
934	I	95.1	Very high	91.1	Very high	10 Å²	10	25.2 Å²	25.2	5%	0.051	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	120.2	166.7	-54.7	173.9	0	0	0	107.8	T900 R903 F904 M907 L921	T900-I934 HydrophobicContact CG2-CD1 4.17Å; T900-I934 HydrophobicContact CG2-CG1 3.91Å; R903-I934 HydrophobicContact CB-CD1 4.31Å; F904-I934 HydrophobicContact CB-CD1 3.62Å; F904-I934 HydrophobicContact CB-CG1 4.13Å; F904-I934 HydrophobicContact CD2-CB 4.41Å; F904-I934 HydrophobicContact CD2-CD1 3.96Å; F904-I934 HydrophobicContact CD2-CG1 3.87Å; F904-I934 HydrophobicContact CD2-CG2 3.76Å; F904-I934 HydrophobicContact CE2-CG2 4.15Å; F904-I934 HydrophobicContact CG-CD1 4.28Å; F904-I934 HydrophobicContact CG-CG1 4.39Å; M907-I934 HydrophobicContact CE-CD1 4Å; M907-I934 HydrophobicContact CE-CG2 3.86Å; M907-I934 HydrophobicContact SD-CD1 4.4Å; M907-I934 HydrophobicContact SD-CG2 3.64Å; L921-I934 HydrophobicContact CD1-CG1 4.2Å
935	L	95.7	Very high	90.8	Very high	1 Å²	1	25 Å²	25	1%	0.005	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	161.6	-178.8	-58.7	172.3	0	0	0	109.6	M476 H477 T478 W484 P919 V920 A922 R933	M476-L935 HydrophobicContact CB-CB 4.19Å; M476-L935 HydrophobicContact CB-CD1 4.2Å; M476-L935 HydrophobicContact CE-CB 3.56Å; M476-L935 HydrophobicContact CE-CD1 4.13Å; M476-L935 HydrophobicContact SD-CB 4.14Å; M476-L935 HydrophobicContact SD-CD1 3.62Å; H477-L935 CarbonylContact O-C 3.6Å; H477-L935 WeakPolarHBondContact O-CA 3.32Å; T478-L935 HydrophobicContact CG2-CD2 4.16Å; W484-L935 HydrophobicContact CB-CD2 3.98Å; W484-L935 HydrophobicContact CD2-CD1 3.84Å; W484-L935 HydrophobicContact CD2-CD2 3.85Å; W484-L935 HydrophobicContact CE3-CD1 3.24Å; W484-L935 HydrophobicContact CE3-CD2 4.12Å; W484-L935 HydrophobicContact CE3-CG 4.32Å; W484-L935 HydrophobicContact CG-CD2 3.78Å; W484-L935 HydrophobicContact CH2-CD1 4.23Å; W484-L935 HydrophobicContact CZ3-CD1 3.43Å; W484-L935 VanDerWaalsContact CZ3-CD1 3.43Å; P919-L935 CarbonylContact C-O 3.6Å; P919-L935 WeakPolarHBondContact CA-O 3.48Å; V920-L935 PolarHBondContact N-O 3.47Å; V920-L935 PolarHBondContact O-N 2.96Å; A922-L935 HydrophobicContact CB-CD1 3.86Å; R933-L935 HydrophobicContact CB-CD2 4.23Å; R933-L935 HydrophobicContact CB-CG 4.31Å; R933-L935 HydrophobicContact CG-CD2 4.05Å
936	K	95.3	Very high	90.3	Very high	27 Å²	27	22.9 Å²	22.9	12%	0.117	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	125.5	171.5	-71.2	-71.7	-173.4	164.2	0	108.9	H477	H477-K936 WeakPolarHBondContact CE1-CB 3.37Å; H477-K936 PolarHBondContact N-O 3.46Å; H477-K936 WeakPolarHBondContact NE2-CB 3.29Å; H477-K936 PolarHBondContact O-N 3.3Å
937	F	94.7	Very high	90.1	Very high	14 Å²	14	22.4 Å²	22.4	6%	0.061	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	106.4	173.6	-173.7	-113.7	0	0	0	108.9	L474 M476 L511 A514 G917 V918 V920 L939	L474-F937 HydrophobicContact CD1-CD2 4.36Å; L474-F937 HydrophobicContact CD1-CE2 3.84Å; M476-F937 HydrophobicContact CE-CB 3.83Å; M476-F937 HydrophobicContact CE-CD2 4.16Å; M476-F937 HydrophobicContact CE-CG 4.46Å; L511-F937 HydrophobicContact CB-CE1 4.45Å; L511-F937 HydrophobicContact CD1-CD1 3.95Å; L511-F937 HydrophobicContact CD1-CD2 4.05Å; L511-F937 HydrophobicContact CD1-CE1 3.74Å; L511-F937 HydrophobicContact CD1-CE2 3.86Å; L511-F937 HydrophobicContact CD1-CG 4.1Å; L511-F937 HydrophobicContact CD1-CZ 3.7Å; A514-F937 HydrophobicContact CB-CE1 4.31Å; A514-F937 HydrophobicContact CB-CZ 3.62Å; G917-F937 CarbonylContact C-O 3.6Å; G917-F937 VanDerWaalsContact CA-O 3.25Å; G917-F937 WeakPolarHBondContact CA-O 3.29Å; V918-F937 PolarHBondContact N-O 2.79Å; V918-F937 PolarHBondContact O-N 2.54Å; V920-F937 HydrophobicContact CG2-CB 3.62Å; F937-L939 HydrophobicContact CD1-CG 4.23Å; F937-L939 HydrophobicContact CE1-CD1 3.63Å; F937-L939 HydrophobicContact CE1-CD2 3.78Å; F937-L939 HydrophobicContact CE1-CG 3.59Å; F937-L939 HydrophobicContact CE2-CD2 4.09Å; F937-L939 HydrophobicContact CZ-CD1 4.02Å; F937-L939 HydrophobicContact CZ-CD2 3.49Å; F937-L939 VanDerWaalsContact CZ-CD2 3.49Å; F937-L939 HydrophobicContact CZ-CG 3.88Å
938	T	94.2	Very high	89.8	Confident	10 Å²	10	17.9 Å²	17.9	6%	0.061	10%	0.1	C	C	.	.			trans	-113.9	120.7	-171.6	-35.4	0	0	0	0	109.2	T152 H477 G915 S916	T152-T938 HydrophobicContact CG2-CG2 3.89Å; H477-T938 PolarHBondContact NE2-OG1 3.43Å; G915-T938 WeakPolarHBondContact O-CG2 3.22Å; S916-T938 PolarHBondContact O-OG1 3.31Å
939	L	91.5	Very high	89.5	Confident	23 Å²	23	14.6 Å²	14.6	12%	0.12	9%	0.086	C	C	.	.			trans	-116.2	145.8	176.1	-62.6	-171.2	0	0	0	109.9	V510 A514 F937 E943 L944 L947	V510-L939 HydrophobicContact CG1-CD1 3.62Å; A514-L939 HydrophobicContact CB-CD1 4.21Å; A514-L939 HydrophobicContact CB-CD2 4.42Å; F937-L939 HydrophobicContact CD1-CG 4.23Å; F937-L939 HydrophobicContact CE1-CD1 3.63Å; F937-L939 HydrophobicContact CE1-CD2 3.78Å; F937-L939 HydrophobicContact CE1-CG 3.59Å; F937-L939 HydrophobicContact CE2-CD2 4.09Å; F937-L939 HydrophobicContact CZ-CD1 4.02Å; F937-L939 HydrophobicContact CZ-CD2 3.49Å; F937-L939 VanDerWaalsContact CZ-CD2 3.49Å; F937-L939 HydrophobicContact CZ-CG 3.88Å; L939-E943 WeakPolarHBondContact CD2-OE1 3.4Å; L939-L944 HydrophobicContact CB-CD2 3.91Å; L939-L944 HydrophobicContact CB-CG 3.84Å; L939-L944 HydrophobicContact CD1-CD2 4.05Å; L939-L947 HydrophobicContact CD1-CD1 4.21Å
940	G	90.6	Very high	89.3	Confident	1 Å²	1	15.1 Å²	15.1	1%	0.01	9%	0.086	C	C	.	.			trans	-78	163.2	175.5	0	0	0	0	0	112.4	E148 T152 E943 L944	E148-G940 VanDerWaalsContact OE2-CA 3.28Å; E148-G940 WeakPolarHBondContact OE2-CA 3.36Å; T152-G940 WeakPolarHBondContact OG1-CA 3.37Å; G940-E943 PolarHBondContact O-N 3.44Å; G940-L944 WeakPolarHBondContact O-CB 3.32Å; G940-L944 VanDerWaalsContact O-CG 3.26Å; G940-L944 WeakPolarHBondContact O-CG 3.42Å; G940-L944 PolarHBondContact O-N 2.96Å
941	P	90.6	Very high	88.9	Confident	31 Å²	31	18.8 Å²	18.8	20%	0.201	11%	0.111	C	C	.	.	H	α-helix	trans	-64.4	-37	-177.9	24.5	-34	0	0	0	114.5	E148 W945 A974	E148-P941 WeakPolarHBondContact OE1-CD 3.34Å; E148-P941 VanDerWaalsContact OE1-CG 3.29Å; E148-P941 WeakPolarHBondContact OE1-CG 3.33Å; P941-W945 WeakPolarHBondContact O-CB 3.46Å; P941-W945 VanDerWaalsContact O-CD1 3.23Å; P941-W945 PolarHBondContact O-N 2.96Å; P941-A974 HydrophobicContact CB-CB 3.75Å; P941-A974 HydrophobicContact CG-CB 4.08Å
942	L	89	Confident	88.7	Confident	24 Å²	24	22.4 Å²	22.4	13%	0.126	13%	0.126	C	C	.	.	H	α-helix	trans	-63.5	-45.4	175.3	-63	164.7	0	0	0	110.5	E148 W945 A946 R970 Q971 A974	E148-L942 HydrophobicContact CB-CD1 4.18Å; E148-L942 VanDerWaalsContact CD-CB 3.45Å; E148-L942 VanDerWaalsContact CD-N 3.31Å; E148-L942 HydrophobicContact CG-CD1 4.44Å; E148-L942 VanDerWaalsContact OE1-CB 3.24Å; E148-L942 WeakPolarHBondContact OE1-CB 3.31Å; E148-L942 WeakPolarHBondContact OE1-CD1 3.49Å; E148-L942 WeakPolarHBondContact OE1-CG 3.42Å; E148-L942 PolarHBondContact OE1-N 2.86Å; E148-L942 WeakPolarHBondContact OE2-CA 3.12Å; E148-L942 VanDerWaalsContact OE2-CB 3.27Å; E148-L942 WeakPolarHBondContact OE2-CB 3.26Å; E148-L942 PolarHBondContact OE2-N 2.75Å; E148-L942 VanDerWaalsContact OE2-N 3.08Å; L942-W945 PolarHBondContact O-N 3.24Å; L942-A946 PolarHBondContact O-N 3.35Å; L942-R970 HydrophobicContact CD2-CB 3.99Å; L942-Q971 HydrophobicContact CD2-CB 4.38Å; L942-Q971 HydrophobicContact CD2-CG 3.94Å; L942-A974 HydrophobicContact CD2-CB 3.72Å; L942-A974 HydrophobicContact CG-CB 4Å
943	E	88.1	Confident	88.4	Confident	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-64.9	-46.7	177.1	-171.2	176.6	176.5	0	0	111.3	V145 E148 K149 L939 G940 W945 A946 L947	V145-E943 HydrophobicContact CG1-CB 4.3Å; V145-E943 HydrophobicContact CG1-CG 4.23Å; E148-E943 PolarHBondContact OE2-N 2.78Å; K149-E943 IonicContact NZ-OE1 2.78Å; K149-E943 PolarHBondContact NZ-OE1 2.79Å; K149-E943 IonicContact NZ-OE2 3.35Å; K149-E943 PolarHBondContact NZ-OE2 3.04Å; L939-E943 WeakPolarHBondContact CD2-OE1 3.4Å; G940-E943 PolarHBondContact O-N 3.44Å; E943-W945 VanDerWaalsContact C-N 3.32Å; E943-W945 PolarHBondContact O-N 3.32Å; E943-A946 WeakPolarHBondContact O-CA 3.31Å; E943-A946 WeakPolarHBondContact O-CB 3.32Å; E943-A946 PolarHBondContact O-N 2.97Å; E943-L947 HydrophobicContact CG-CD1 3.79Å; E943-L947 HydrophobicContact CG-CG 4.32Å; E943-L947 WeakPolarHBondContact O-CG 3.37Å; E943-L947 PolarHBondContact O-N 3.39Å
944	L	89.5	Confident	88	Confident	44 Å²	44	22.4 Å²	22.4	23%	0.23	13%	0.128	C	C	.	.	H	α-helix	trans	-57.1	-46.1	175.3	-76.9	170.7	0	0	0	111.5	V510 L939 G940 A946 L947 N948	V510-L944 HydrophobicContact CG1-CD2 4.18Å; L939-L944 HydrophobicContact CB-CD2 3.91Å; L939-L944 HydrophobicContact CB-CG 3.84Å; L939-L944 HydrophobicContact CD1-CD2 4.05Å; G940-L944 WeakPolarHBondContact O-CB 3.32Å; G940-L944 VanDerWaalsContact O-CG 3.26Å; G940-L944 WeakPolarHBondContact O-CG 3.42Å; G940-L944 PolarHBondContact O-N 2.96Å; L944-A946 PolarHBondContact O-N 3.47Å; L944-L947 PolarHBondContact O-N 2.93Å; L944-N948 WeakPolarHBondContact O-CB 3.4Å; L944-N948 PolarHBondContact O-N 2.98Å
945	W	88.3	Confident	87.7	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-66.4	-24.1	176.5	-86.9	111.4	0	0	0	113.2	P941 L942 E943 D953 L956 R957 L973 F977 A982	P941-W945 WeakPolarHBondContact O-CB 3.46Å; P941-W945 VanDerWaalsContact O-CD1 3.23Å; P941-W945 PolarHBondContact O-N 2.96Å; L942-W945 PolarHBondContact O-N 3.24Å; E943-W945 VanDerWaalsContact C-N 3.32Å; E943-W945 PolarHBondContact O-N 3.32Å; W945-D953 HydrophobicContact CH2-CB 4.04Å; W945-D953 HydrophobicContact CZ3-CB 3.62Å; W945-L956 HydrophobicContact CH2-CD2 4.29Å; W945-R957 WeakPolarHBondContact O-CD 3.38Å; W945-R957 PolarHBondContact O-NH1 3.42Å; W945-L973 HydrophobicContact CB-CB 4.44Å; W945-L973 HydrophobicContact CD2-CB 3.66Å; W945-L973 HydrophobicContact CD2-CD1 3.95Å; W945-L973 HydrophobicContact CD2-CD2 4.33Å; W945-L973 HydrophobicContact CD2-CG 4.2Å; W945-L973 HydrophobicContact CE3-CB 4.24Å; W945-L973 HydrophobicContact CE3-CD1 3.67Å; W945-L973 HydrophobicContact CE3-CD2 4.25Å; W945-L973 HydrophobicContact CE3-CG 4.28Å; W945-L973 HydrophobicContact CG-CB 3.72Å; W945-L973 HydrophobicContact CG-CD1 4.38Å; W945-L973 HydrophobicContact CH2-CD2 3.82Å; W945-L973 HydrophobicContact CZ2-CB 4.31Å; W945-L973 HydrophobicContact CZ2-CD2 3.93Å; W945-L973 HydrophobicContact CZ3-CD1 4.04Å; W945-L973 HydrophobicContact CZ3-CD2 3.97Å; W945-L973 HydrophobicContact CZ3-CG 4.48Å; W945-L973 PolarHBondContact NE1-O 3.32Å; W945-L973 VanDerWaalsContact NE1-O 3.15Å; W945-F977 HydrophobicContact CZ2-CB 3.54Å; W945-F977 AromaticContact CZ2-CD2 3.88Å; W945-F977 HydrophobicContact CZ2-CD2 3.88Å; W945-F977 AromaticContact CZ2-CG 3.89Å; W945-F977 HydrophobicContact CZ2-CG 3.89Å; W945-F977 PolarHBondContact NE1-O 3.38Å; W945-A982 HydrophobicContact CH2-CB 3.82Å; W945-A982 HydrophobicContact CZ2-CB 4.15Å
946	A	81.3	Confident	87.5	Confident	2 Å²	2	23.1 Å²	23.1	2%	0.017	14%	0.136	C	C	.	.	H	α-helix	trans	-75	-41.4	173	0	0	0	0	0	112	L545 L942 E943 L944	L545-A946 HydrophobicContact CD1-CB 3.93Å; L545-A946 HydrophobicContact CD2-CB 3.8Å; L545-A946 HydrophobicContact CG-CB 4.37Å; L942-A946 PolarHBondContact O-N 3.35Å; E943-A946 WeakPolarHBondContact O-CA 3.31Å; E943-A946 WeakPolarHBondContact O-CB 3.32Å; E943-A946 PolarHBondContact O-N 2.97Å; L944-A946 PolarHBondContact O-N 3.47Å
947	L	84.6	Confident	87.2	Confident	2 Å²	2	23.2 Å²	23.2	1%	0.01	14%	0.135	C	C	.	.	H	α-helix	trans	-95.1	-12	-172	-52.2	177.4	0	0	0	114.1	V510 N513 A514 L542 L545 L939 E943 L944 S949	V510-L947 HydrophobicContact CG1-CB 4.4Å; N513-L947 HydrophobicContact CB-CB 4.3Å; N513-L947 HydrophobicContact CB-CD2 3.94Å; N513-L947 HydrophobicContact CB-CG 4.46Å; A514-L947 HydrophobicContact CB-CD1 3.63Å; L542-L947 HydrophobicContact CD1-CD2 4.27Å; L545-L947 HydrophobicContact CD2-CD2 4.29Å; L939-L947 HydrophobicContact CD1-CD1 4.21Å; E943-L947 HydrophobicContact CG-CD1 3.79Å; E943-L947 HydrophobicContact CG-CG 4.32Å; E943-L947 WeakPolarHBondContact O-CG 3.37Å; E943-L947 PolarHBondContact O-N 3.39Å; L944-L947 PolarHBondContact O-N 2.93Å; L947-S949 PolarHBondContact O-N 3.35Å
948	N	80.7	Confident	86.9	Confident	25 Å²	25	29.4 Å²	29.4	13%	0.134	16%	0.158	C	C	.	.			trans	-64.3	129.6	178.6	-175.9	-4.8	0	0	0	110.7	L944 S950 D953 R957 G980	L944-N948 WeakPolarHBondContact O-CB 3.4Å; L944-N948 PolarHBondContact O-N 2.98Å; N948-S950 WeakPolarHBondContact OD1-CB 3.44Å; N948-S950 PolarHBondContact OD1-N 3.19Å; N948-D953 WeakPolarHBondContact ND2-CB 3.18Å; N948-D953 PolarHBondContact ND2-OD2 3.38Å; N948-R957 PolarHBondContact O-NH1 2.88Å; N948-G980 PolarHBondContact ND2-O 3.4Å
949	S	72.9	Confident	86.7	Confident	40 Å²	40	29.2 Å²	29.2	28%	0.28	16%	0.158	S	C	.	.			trans	-111.1	4.1	-176.9	60.5	0	0	0	0	114	L947	L947-S949 PolarHBondContact O-N 3.35Å
950	S	81.9	Confident	86.7	Confident	29 Å²	29	28.1 Å²	28.1	20%	0.203	15%	0.152	C	C	.	.			trans	-53.9	130.6	173.5	164.7	0	0	0	0	109.4	N948 K952 D953 S954 T983	N948-S950 WeakPolarHBondContact OD1-CB 3.44Å; N948-S950 PolarHBondContact OD1-N 3.19Å; S950-K952 VanDerWaalsContact C-N 3.27Å; S950-K952 PolarHBondContact O-N 3.21Å; S950-D953 VanDerWaalsContact CB-OD2 3.29Å; S950-D953 WeakPolarHBondContact CB-OD2 3.33Å; S950-D953 PolarHBondContact O-N 2.78Å; S950-D953 PolarHBondContact OG-OD2 2.58Å; S950-S954 VanDerWaalsContact O-CB 3.26Å; S950-S954 WeakPolarHBondContact O-CB 3.43Å; S950-S954 PolarHBondContact O-N 2.95Å; S950-S954 PolarHBondContact O-OG 3.5Å; S950-T983 PolarHBondContact OG-OG1 3.32Å
951	P	82.1	Confident	86.6	Confident	101 Å²	101	29.8 Å²	29.8	66%	0.656	16%	0.162	S	C	*	.	H	α-helix	trans	-56.4	-40.1	-178.3	-28.6	35.2	0	0	0	113.4	A955	P951-A955 VanDerWaalsContact O-CB 3.32Å; P951-A955 WeakPolarHBondContact O-CB 3.03Å; P951-A955 PolarHBondContact O-N 3.03Å
952	K	88	Confident	86.5	Confident	75 Å²	75	35.5 Å²	35.5	33%	0.326	19%	0.186	S	C	.	.	H	α-helix	trans	-70.3	-45.3	-179.7	-68.1	175.8	-175.9	174	0	111.7	S950 A955 L956 T983 I986 E987	S950-K952 VanDerWaalsContact C-N 3.27Å; S950-K952 PolarHBondContact O-N 3.21Å; K952-A955 PolarHBondContact O-N 3.15Å; K952-L956 PolarHBondContact O-N 3.35Å; K952-T983 HydrophobicContact CD-CG2 4.19Å; K952-I986 HydrophobicContact CB-CD1 3.99Å; K952-I986 HydrophobicContact CD-CG2 4.09Å; K952-I986 HydrophobicContact CG-CG2 4.46Å; K952-E987 HydrophobicContact CD-CG 4.4Å; K952-E987 VanDerWaalsContact NZ-CD 3.35Å; K952-E987 IonicContact NZ-OE1 3.37Å; K952-E987 PolarHBondContact NZ-OE1 3.09Å
953	D	89.3	Confident	86.5	Confident	1 Å²	1	41.2 Å²	41.2	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-66.6	-40.1	178.1	-65.7	-33.7	0	0	0	111	W945 N948 S950 L956 R957 S981 A982 T983	W945-D953 HydrophobicContact CH2-CB 4.04Å; W945-D953 HydrophobicContact CZ3-CB 3.62Å; N948-D953 WeakPolarHBondContact ND2-CB 3.18Å; N948-D953 PolarHBondContact ND2-OD2 3.38Å; S950-D953 VanDerWaalsContact CB-OD2 3.29Å; S950-D953 WeakPolarHBondContact CB-OD2 3.33Å; S950-D953 PolarHBondContact O-N 2.78Å; S950-D953 PolarHBondContact OG-OD2 2.58Å; D953-L956 PolarHBondContact O-N 2.9Å; D953-R957 WeakPolarHBondContact O-CB 3Å; D953-R957 PolarHBondContact O-N 3.37Å; D953-S981 PolarHBondContact OD1-OG 2.98Å; D953-S981 WeakPolarHBondContact OD2-CB 3.41Å; D953-S981 PolarHBondContact OD2-OG 3.11Å; D953-A982 PolarHBondContact OD1-N 3Å; D953-T983 VanDerWaalsContact CG-OG1 3.3Å; D953-T983 PolarHBondContact OD1-N 2.83Å; D953-T983 VanDerWaalsContact OD1-N 3.09Å; D953-T983 PolarHBondContact OD1-OG1 3.1Å; D953-T983 PolarHBondContact OD2-OG1 3.46Å
954	S	85.5	Confident	86.6	Confident	10 Å²	10	42.8 Å²	42.8	7%	0.07	22%	0.222	C	C	.	.	H	α-helix	trans	-64.8	-40.7	176.2	-60.7	0	0	0	0	112	S950 R957 R958	S950-S954 VanDerWaalsContact O-CB 3.26Å; S950-S954 WeakPolarHBondContact O-CB 3.43Å; S950-S954 PolarHBondContact O-N 2.95Å; S950-S954 PolarHBondContact O-OG 3.5Å; S954-R957 PolarHBondContact O-N 3.5Å; S954-R958 WeakPolarHBondContact O-CB 3.28Å; S954-R958 WeakPolarHBondContact O-CG 3.27Å; S954-R958 PolarHBondContact O-N 3.34Å
955	A	87.2	Confident	86.4	Confident	27 Å²	27	42.3 Å²	42.3	22%	0.223	23%	0.227	C	C	.	.	H	α-helix	trans	-64.6	-44.6	175.2	0	0	0	0	0	111.8	P951 K952 R957 R958 A959 I999	P951-A955 VanDerWaalsContact O-CB 3.32Å; P951-A955 WeakPolarHBondContact O-CB 3.03Å; P951-A955 PolarHBondContact O-N 3.03Å; K952-A955 PolarHBondContact O-N 3.15Å; A955-R957 PolarHBondContact O-N 2.89Å; A955-R958 PolarHBondContact O-N 2.86Å; A955-A959 PolarHBondContact O-N 3.23Å; A955-I999 HydrophobicContact CB-CD1 3.92Å; A955-I999 HydrophobicContact CB-CG2 4.31Å
956	L	91.5	Very high	86.2	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-60.3	-45.5	174.8	179.8	63.3	0	0	0	111.6	W945 K952 D953 A959 L960 L973 F977 A982 I986 I999 L1002 A1003 L1006	W945-L956 HydrophobicContact CH2-CD2 4.29Å; K952-L956 PolarHBondContact O-N 3.35Å; D953-L956 PolarHBondContact O-N 2.9Å; L956-A959 PolarHBondContact O-N 2.86Å; L956-L960 HydrophobicContact CG-CD1 4.42Å; L956-L960 PolarHBondContact O-N 3.19Å; L956-L960 VanDerWaalsContact O-N 3.08Å; L956-L973 HydrophobicContact CD2-CD2 3.8Å; L956-L973 HydrophobicContact CG-CD2 4.1Å; L956-F977 HydrophobicContact CD2-CE2 4.46Å; L956-A982 HydrophobicContact CD2-CB 3.65Å; L956-I986 HydrophobicContact CB-CD1 4.48Å; L956-I986 HydrophobicContact CD2-CD1 4.35Å; L956-I999 HydrophobicContact CB-CG2 3.99Å; L956-I999 HydrophobicContact CD1-CG2 4.21Å; L956-L1002 HydrophobicContact CD1-CB 4.3Å; L956-L1002 HydrophobicContact CD1-CD2 4.14Å; L956-L1002 HydrophobicContact CD1-CG 4.08Å; L956-L1002 HydrophobicContact CD2-CD2 3.83Å; L956-L1002 HydrophobicContact CD2-CG 4.45Å; L956-A1003 HydrophobicContact CD1-CB 3.99Å; L956-L1006 HydrophobicContact CD1-CD1 4.43Å
957	R	89.9	Confident	86.3	Confident	29 Å²	29	47 Å²	47	11%	0.109	25%	0.253	C	S	.	.	H	α-helix	trans	-59.6	-47.7	176.8	-175	175.6	71.6	-135.1	-2.6	111.6	W945 N948 D953 S954 A955 A959 L960 T961 L973	W945-R957 WeakPolarHBondContact O-CD 3.38Å; W945-R957 PolarHBondContact O-NH1 3.42Å; N948-R957 PolarHBondContact O-NH1 2.88Å; D953-R957 WeakPolarHBondContact O-CB 3Å; D953-R957 PolarHBondContact O-N 3.37Å; S954-R957 PolarHBondContact O-N 3.5Å; A955-R957 PolarHBondContact O-N 2.89Å; R957-A959 PolarHBondContact O-N 2.87Å; R957-L960 PolarHBondContact O-N 2.86Å; R957-T961 WeakPolarHBondContact O-CB 3.29Å; R957-T961 PolarHBondContact O-N 2.97Å; R957-T961 PolarHBondContact O-OG1 3.18Å; R957-T961 VanDerWaalsContact O-OG1 3.04Å; R957-L973 HydrophobicContact CB-CD1 3.98Å; R957-L973 HydrophobicContact CG-CD1 3.99Å
958	R	87.5	Confident	86.5	Confident	143 Å²	143	49.8 Å²	49.8	54%	0.54	26%	0.264	S	S	.	.	H	α-helix	trans	-58.7	-44.9	177.3	-76.8	-173	-61.1	-129.4	1.9	112.3	S954 A955 L960 T961 Q962	S954-R958 WeakPolarHBondContact O-CB 3.28Å; S954-R958 WeakPolarHBondContact O-CG 3.27Å; S954-R958 PolarHBondContact O-N 3.34Å; A955-R958 PolarHBondContact O-N 2.86Å; R958-L960 VanDerWaalsContact C-N 3.31Å; R958-L960 PolarHBondContact O-N 2.9Å; R958-T961 PolarHBondContact O-N 2.93Å; R958-Q962 WeakPolarHBondContact O-CG 3.25Å; R958-Q962 PolarHBondContact O-N 3.46Å
959	A	90.4	Very high	87	Confident	7 Å²	7	48.6 Å²	48.6	6%	0.058	26%	0.257	C	S	.	.	H	α-helix	trans	-60.4	-40.7	178.2	0	0	0	0	0	111.9	A955 L956 R957 A1003	A955-A959 PolarHBondContact O-N 3.23Å; L956-A959 PolarHBondContact O-N 2.86Å; R957-A959 PolarHBondContact O-N 2.87Å; A959-A1003 HydrophobicContact CB-CB 3.98Å
960	L	91.6	Very high	87.8	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-70.4	-43.9	174.9	-70.6	171	0	0	0	112.3	L956 R957 R958 Q962 E963 V964 A969 L973 A1003 L1006 I1007	L956-L960 HydrophobicContact CG-CD1 4.42Å; L956-L960 PolarHBondContact O-N 3.19Å; L956-L960 VanDerWaalsContact O-N 3.08Å; R957-L960 PolarHBondContact O-N 2.86Å; R958-L960 VanDerWaalsContact C-N 3.31Å; R958-L960 PolarHBondContact O-N 2.9Å; L960-Q962 VanDerWaalsContact C-N 3.25Å; L960-Q962 PolarHBondContact O-N 3.38Å; L960-E963 PolarHBondContact O-N 2.84Å; L960-E963 VanDerWaalsContact O-N 3.11Å; L960-V964 VanDerWaalsContact O-CG2 3.27Å; L960-V964 WeakPolarHBondContact O-CG2 3.17Å; L960-V964 PolarHBondContact O-N 2.75Å; L960-A969 HydrophobicContact CB-CB 3.66Å; L960-L973 HydrophobicContact CD1-CD1 3.94Å; L960-L973 HydrophobicContact CD1-CD2 3.5Å; L960-L973 VanDerWaalsContact CD1-CD2 3.5Å; L960-L973 HydrophobicContact CD1-CG 3.53Å; L960-A1003 HydrophobicContact CD2-CB 3.95Å; L960-A1003 HydrophobicContact CG-CB 4.14Å; L960-L1006 HydrophobicContact CD1-CD1 4.11Å; L960-L1006 HydrophobicContact CD2-CB 4.38Å; L960-I1007 HydrophobicContact CD2-CD1 3.95Å; L960-I1007 HydrophobicContact CD2-CG1 3.7Å
961	T	88.5	Confident	88.2	Confident	35 Å²	35	49.1 Å²	49.1	22%	0.215	25%	0.252	C	S	.	.	H	α-helix	trans	-59.1	-37	-179.5	-65.9	0	0	0	0	112	R957 R958 E963 G965	R957-T961 WeakPolarHBondContact O-CB 3.29Å; R957-T961 PolarHBondContact O-N 2.97Å; R957-T961 PolarHBondContact O-OG1 3.18Å; R957-T961 VanDerWaalsContact O-OG1 3.04Å; R958-T961 PolarHBondContact O-N 2.93Å; T961-E963 VanDerWaalsContact C-N 3.31Å; T961-E963 PolarHBondContact O-N 3.44Å; T961-G965 VanDerWaalsContact O-CA 3.25Å; T961-G965 WeakPolarHBondContact O-CA 3.24Å; T961-G965 PolarHBondContact O-N 3.49Å
962	Q	88.4	Confident	88.7	Confident	151 Å²	151	44.3 Å²	44.3	71%	0.706	22%	0.22	S	C	*	.	H	α-helix	trans	-63.5	-34.8	177.2	-76.6	174.8	-18.3	0	0	113	R958 L960	R958-Q962 WeakPolarHBondContact O-CG 3.25Å; R958-Q962 PolarHBondContact O-N 3.46Å; L960-Q962 VanDerWaalsContact C-N 3.25Å; L960-Q962 PolarHBondContact O-N 3.38Å
963	E	90	Very high	89	Confident	144 Å²	144	40.7 Å²	40.7	67%	0.673	21%	0.205	S	C	*	.	H	α-helix	trans	-90.2	-41.1	-175.2	-65.7	-64.4	142.7	0	0	113.1	L960 T961 I1007	L960-E963 PolarHBondContact O-N 2.84Å; L960-E963 VanDerWaalsContact O-N 3.11Å; T961-E963 VanDerWaalsContact C-N 3.31Å; T961-E963 PolarHBondContact O-N 3.44Å; E963-I1007 HydrophobicContact CB-CD1 3.7Å; E963-I1007 HydrophobicContact CG-CD1 3.94Å
964	V	90	Very high	89.1	Confident	34 Å²	34	41.2 Å²	41.2	21%	0.206	21%	0.209	C	C	.	.	H	α-helix	trans	-120.7	-0.2	-169.9	-55.8	0	0	0	0	114.3	L960 R968 A969 I972 I1007 L1014	L960-V964 VanDerWaalsContact O-CG2 3.27Å; L960-V964 WeakPolarHBondContact O-CG2 3.17Å; L960-V964 PolarHBondContact O-N 2.75Å; V964-R968 HydrophobicContact CB-CB 4.2Å; V964-R968 HydrophobicContact CB-CG 4.15Å; V964-R968 HydrophobicContact CG2-CB 3.99Å; V964-R968 HydrophobicContact CG2-CG 4.12Å; V964-R968 WeakPolarHBondContact O-CB 3.31Å; V964-A969 HydrophobicContact CG2-CB 4.06Å; V964-I972 HydrophobicContact CG2-CD1 4.07Å; V964-I1007 HydrophobicContact CG1-CD1 4.38Å; V964-I1007 HydrophobicContact CG1-CG1 4.2Å; V964-L1014 HydrophobicContact CB-CD2 4.07Å; V964-L1014 HydrophobicContact CG1-CD1 4.47Å; V964-L1014 HydrophobicContact CG1-CD2 3.53Å
965	G	85.7	Confident	89.4	Confident	33 Å²	33	46.8 Å²	46.8	34%	0.34	23%	0.234	S	C	.	.			trans	80.6	161.6	-174.2	0	0	0	0	0	113.9	T961 A969	T961-G965 VanDerWaalsContact O-CA 3.25Å; T961-G965 WeakPolarHBondContact O-CA 3.24Å; T961-G965 PolarHBondContact O-N 3.49Å; G965-A969 VanDerWaalsContact O-CB 3.23Å; G965-A969 WeakPolarHBondContact O-CB 3.41Å; G965-A969 PolarHBondContact O-N 3.48Å
966	S	83.3	Confident	89.7	Confident	21 Å²	21	48.3 Å²	48.3	15%	0.147	24%	0.237	C	C	.	.	H	α-helix	trans	-63.5	-47.6	-167.2	-171	0	0	0	0	114.3	D548 A969 R970	D548-S966 WeakPolarHBondContact OD2-CB 3.34Å; D548-S966 PolarHBondContact OD2-OG 3.31Å; S966-A969 PolarHBondContact O-N 2.9Å; S966-R970 WeakPolarHBondContact O-CG 3.43Å; S966-R970 PolarHBondContact O-N 3.11Å
967	L	84.3	Confident	89.7	Confident	79 Å²	79	49.6 Å²	49.6	41%	0.414	24%	0.242	S	C	.	.	H	α-helix	trans	-63.5	-48.2	-179.5	178.2	62.5	0	0	0	111.5	D144 A969 R970 Q971	D144-L967 HydrophobicContact CB-CD1 4Å; D144-L967 WeakPolarHBondContact OD2-CD1 3.49Å; L967-A969 PolarHBondContact O-N 3.22Å; L967-R970 PolarHBondContact O-N 3.24Å; L967-Q971 WeakPolarHBondContact O-CG 3.44Å; L967-Q971 PolarHBondContact O-N 3.31Å
968	R	88.7	Confident	89.5	Confident	62 Å²	62	52.3 Å²	52.3	23%	0.234	26%	0.264	C	S	.	.	H	α-helix	trans	-66.2	-39.6	-178.7	-166.9	62.7	175.2	135.9	8.1	111.3	V964 R970 Q971 I972 N1013 L1014	V964-R968 HydrophobicContact CB-CB 4.2Å; V964-R968 HydrophobicContact CB-CG 4.15Å; V964-R968 HydrophobicContact CG2-CB 3.99Å; V964-R968 HydrophobicContact CG2-CG 4.12Å; V964-R968 WeakPolarHBondContact O-CB 3.31Å; R968-R970 PolarHBondContact O-N 3.41Å; R968-Q971 PolarHBondContact O-N 3.21Å; R968-I972 HydrophobicContact CG-CD1 4.2Å; R968-I972 VanDerWaalsContact O-CG1 3.3Å; R968-I972 WeakPolarHBondContact O-CG1 3.02Å; R968-I972 PolarHBondContact O-N 3.05Å; R968-N1013 PolarHBondContact NH2-O 3.12Å; R968-L1014 HydrophobicContact CG-CD2 4.15Å
969	A	90.3	Very high	89.4	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-57	-47.4	173.4	0	0	0	0	0	111.6	L960 V964 G965 S966 L967 Q971 I972 L973	L960-A969 HydrophobicContact CB-CB 3.66Å; V964-A969 HydrophobicContact CG2-CB 4.06Å; G965-A969 VanDerWaalsContact O-CB 3.23Å; G965-A969 WeakPolarHBondContact O-CB 3.41Å; G965-A969 PolarHBondContact O-N 3.48Å; S966-A969 PolarHBondContact O-N 2.9Å; L967-A969 PolarHBondContact O-N 3.22Å; A969-Q971 PolarHBondContact O-N 2.97Å; A969-I972 PolarHBondContact O-N 2.66Å; A969-L973 WeakPolarHBondContact O-CB 3.42Å; A969-L973 WeakPolarHBondContact O-CD1 3.39Å; A969-L973 WeakPolarHBondContact O-CG 3.45Å; A969-L973 PolarHBondContact O-N 3.41Å
970	R	89.4	Confident	89.2	Confident	8 Å²	8	55.1 Å²	55.1	3%	0.03	27%	0.274	C	S	.	.	H	α-helix	trans	-60.4	-42.6	175.7	-73.2	-173.3	-72.9	131.7	-0.2	112.1	D144 L942 S966 L967 R968 L973 A974	D144-R970 IonicContact OD2-CZ 2.61Å; D144-R970 IonicContact OD2-NH1 2.74Å; D144-R970 PolarHBondContact OD2-NH1 2.51Å; D144-R970 IonicContact OD2-NH2 3.83Å; D144-R970 PolarHBondContact OD2-NH2 3.05Å; D144-R970 VanDerWaalsContact OD2-NH2 3.13Å; L942-R970 HydrophobicContact CD2-CB 3.99Å; S966-R970 WeakPolarHBondContact O-CG 3.43Å; S966-R970 PolarHBondContact O-N 3.11Å; L967-R970 PolarHBondContact O-N 3.24Å; R968-R970 PolarHBondContact O-N 3.41Å; R970-L973 PolarHBondContact O-N 2.83Å; R970-A974 VanDerWaalsContact O-CB 3.25Å; R970-A974 WeakPolarHBondContact O-CB 3.3Å; R970-A974 PolarHBondContact O-N 3.06Å
971	Q	90.9	Very high	89	Confident	71 Å²	71	57.5 Å²	57.5	33%	0.332	29%	0.29	S	S	.	.	H	α-helix	trans	-61.6	-47.7	177.2	-70.8	173.1	-9.3	0	0	112.9	L942 L967 R968 A969 L973 A974 E975	L942-Q971 HydrophobicContact CD2-CB 4.38Å; L942-Q971 HydrophobicContact CD2-CG 3.94Å; L967-Q971 WeakPolarHBondContact O-CG 3.44Å; L967-Q971 PolarHBondContact O-N 3.31Å; R968-Q971 PolarHBondContact O-N 3.21Å; A969-Q971 PolarHBondContact O-N 2.97Å; Q971-L973 VanDerWaalsContact C-N 3.29Å; Q971-L973 PolarHBondContact O-N 3.42Å; Q971-A974 PolarHBondContact O-N 2.9Å; Q971-E975 WeakPolarHBondContact O-CB 3.47Å; Q971-E975 PolarHBondContact O-N 2.94Å
972	I	93.3	Very high	89.1	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-59.3	-44.7	177.6	-66.7	170.6	0	0	0	110.3	V964 R968 A969 E975 H976 L1006 Q1010	V964-I972 HydrophobicContact CG2-CD1 4.07Å; R968-I972 HydrophobicContact CG-CD1 4.2Å; R968-I972 VanDerWaalsContact O-CG1 3.3Å; R968-I972 WeakPolarHBondContact O-CG1 3.02Å; R968-I972 PolarHBondContact O-N 3.05Å; A969-I972 PolarHBondContact O-N 2.66Å; I972-E975 PolarHBondContact O-N 3.42Å; I972-H976 PolarHBondContact O-N 3.46Å; I972-H976 VanDerWaalsContact O-N 3.13Å; I972-H976 PolarHBondContact O-ND1 3.06Å; I972-L1006 HydrophobicContact CG2-CB 3.86Å; I972-Q1010 HydrophobicContact CD1-CG 3.8Å; I972-Q1010 HydrophobicContact CG1-CG 3.91Å
973	L	93.4	Very high	89.1	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-66.2	-42.9	179.2	-73.7	169.6	0	0	0	112.4	W945 L956 R957 L960 A969 R970 Q971 E975 H976 F977 L1006	W945-L973 HydrophobicContact CB-CB 4.44Å; W945-L973 HydrophobicContact CD2-CB 3.66Å; W945-L973 HydrophobicContact CD2-CD1 3.95Å; W945-L973 HydrophobicContact CD2-CD2 4.33Å; W945-L973 HydrophobicContact CD2-CG 4.2Å; W945-L973 HydrophobicContact CE3-CB 4.24Å; W945-L973 HydrophobicContact CE3-CD1 3.67Å; W945-L973 HydrophobicContact CE3-CD2 4.25Å; W945-L973 HydrophobicContact CE3-CG 4.28Å; W945-L973 HydrophobicContact CG-CB 3.72Å; W945-L973 HydrophobicContact CG-CD1 4.38Å; W945-L973 HydrophobicContact CH2-CD2 3.82Å; W945-L973 HydrophobicContact CZ2-CB 4.31Å; W945-L973 HydrophobicContact CZ2-CD2 3.93Å; W945-L973 HydrophobicContact CZ3-CD1 4.04Å; W945-L973 HydrophobicContact CZ3-CD2 3.97Å; W945-L973 HydrophobicContact CZ3-CG 4.48Å; W945-L973 PolarHBondContact NE1-O 3.32Å; W945-L973 VanDerWaalsContact NE1-O 3.15Å; L956-L973 HydrophobicContact CD2-CD2 3.8Å; L956-L973 HydrophobicContact CG-CD2 4.1Å; R957-L973 HydrophobicContact CB-CD1 3.98Å; R957-L973 HydrophobicContact CG-CD1 3.99Å; L960-L973 HydrophobicContact CD1-CD1 3.94Å; L960-L973 HydrophobicContact CD1-CD2 3.5Å; L960-L973 VanDerWaalsContact CD1-CD2 3.5Å; L960-L973 HydrophobicContact CD1-CG 3.53Å; A969-L973 WeakPolarHBondContact O-CB 3.42Å; A969-L973 WeakPolarHBondContact O-CD1 3.39Å; A969-L973 WeakPolarHBondContact O-CG 3.45Å; A969-L973 PolarHBondContact O-N 3.41Å; R970-L973 PolarHBondContact O-N 2.83Å; Q971-L973 VanDerWaalsContact C-N 3.29Å; Q971-L973 PolarHBondContact O-N 3.42Å; L973-E975 VanDerWaalsContact C-N 3.34Å; L973-E975 PolarHBondContact O-N 3.02Å; L973-H976 PolarHBondContact O-N 3.24Å; L973-F977 HydrophobicContact CD2-CD2 4.21Å; L973-F977 HydrophobicContact CD2-CE2 4.48Å; L973-F977 CarbonylContact O-C 3.55Å; L973-F977 WeakPolarHBondContact O-CA 3.35Å; L973-F977 WeakPolarHBondContact O-CB 3.39Å; L973-F977 PolarHBondContact O-N 2.92Å; L973-L1006 HydrophobicContact CD2-CD1 4.46Å
974	A	91.3	Very high	89	Confident	12 Å²	12	47.8 Å²	47.8	10%	0.099	26%	0.255	C	S	.	.	H	α-helix	trans	-63.4	-39.7	177.2	0	0	0	0	0	112.2	P941 L942 R970 Q971 P978	P941-A974 HydrophobicContact CB-CB 3.75Å; P941-A974 HydrophobicContact CG-CB 4.08Å; L942-A974 HydrophobicContact CD2-CB 3.72Å; L942-A974 HydrophobicContact CG-CB 4Å; R970-A974 VanDerWaalsContact O-CB 3.25Å; R970-A974 WeakPolarHBondContact O-CB 3.3Å; R970-A974 PolarHBondContact O-N 3.06Å; Q971-A974 PolarHBondContact O-N 2.9Å; A974-P978 WeakPolarHBondContact O-CA 3.4Å
975	E	91.9	Very high	89	Confident	127 Å²	127	49 Å²	49	59%	0.593	26%	0.26	S	S	*	.	H	α-helix	trans	-63.6	-46.4	176.8	-178.2	-176.4	-161.1	0	0	112	Q971 I972 L973 Q1010	Q971-E975 WeakPolarHBondContact O-CB 3.47Å; Q971-E975 PolarHBondContact O-N 2.94Å; I972-E975 PolarHBondContact O-N 3.42Å; L973-E975 VanDerWaalsContact C-N 3.34Å; L973-E975 PolarHBondContact O-N 3.02Å; E975-Q1010 PolarHBondContact OE2-NE2 3.39Å; E975-Q1010 VanDerWaalsContact OE2-NE2 3.13Å
976	H	92.6	Very high	89.2	Confident	59 Å²	59	47.7 Å²	47.7	27%	0.273	25%	0.246	S	C	.	.	H	α-helix	trans	-86.6	-26.7	-174.2	-70.1	73.8	0	0	0	113.4	I972 L973 L1006	I972-H976 PolarHBondContact O-N 3.46Å; I972-H976 VanDerWaalsContact O-N 3.13Å; I972-H976 PolarHBondContact O-ND1 3.06Å; L973-H976 PolarHBondContact O-N 3.24Å; H976-L1006 HydrophobicContact CB-CD2 3.84Å; H976-L1006 WeakPolarHBondContact CD2-CD2 3.27Å; H976-L1006 VanDerWaalsContact CG-CD2 3.44Å
977	F	91.8	Very high	89.5	Confident	27 Å²	27	50 Å²	50	12%	0.118	25%	0.254	C	S	.	.			trans	-134.5	72.2	-176.2	-54.4	-78.4	0	0	0	110.4	W945 L956 L973 R979 G980 A982 L985 L1002 L1006	W945-F977 HydrophobicContact CZ2-CB 3.54Å; W945-F977 AromaticContact CZ2-CD2 3.88Å; W945-F977 HydrophobicContact CZ2-CD2 3.88Å; W945-F977 AromaticContact CZ2-CG 3.89Å; W945-F977 HydrophobicContact CZ2-CG 3.89Å; W945-F977 PolarHBondContact NE1-O 3.38Å; L956-F977 HydrophobicContact CD2-CE2 4.46Å; L973-F977 HydrophobicContact CD2-CD2 4.21Å; L973-F977 HydrophobicContact CD2-CE2 4.48Å; L973-F977 CarbonylContact O-C 3.55Å; L973-F977 WeakPolarHBondContact O-CA 3.35Å; L973-F977 WeakPolarHBondContact O-CB 3.39Å; L973-F977 PolarHBondContact O-N 2.92Å; F977-R979 PolarHBondContact O-N 2.93Å; F977-G980 PolarHBondContact O-N 2.9Å; F977-A982 HydrophobicContact CD1-CB 3.77Å; F977-A982 HydrophobicContact CD2-CB 4.03Å; F977-A982 HydrophobicContact CE1-CB 3.6Å; F977-A982 HydrophobicContact CE2-CB 3.87Å; F977-A982 HydrophobicContact CG-CB 3.99Å; F977-A982 HydrophobicContact CZ-CB 3.66Å; F977-L985 HydrophobicContact CE1-CB 4.39Å; F977-L985 HydrophobicContact CE1-CD2 3.73Å; F977-L985 HydrophobicContact CZ-CD2 3.82Å; F977-L1002 HydrophobicContact CZ-CD2 4.35Å; F977-L1006 HydrophobicContact CE2-CD1 3.95Å; F977-L1006 HydrophobicContact CE2-CD2 4.23Å
978	P	87.1	Confident	89.7	Confident	86 Å²	86	51.7 Å²	51.7	56%	0.558	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-11.4	-174.8	26.1	-36.1	0	0	0	114.1	A974 G980	A974-P978 WeakPolarHBondContact O-CA 3.4Å; P978-G980 VanDerWaalsContact C-N 3.29Å
979	R	83.8	Confident	89.7	Confident	206 Å²	206	51 Å²	51	78%	0.777	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	3.4	173	-66	-173.2	176.1	175	-1.2	113.4	F977 S981	F977-R979 PolarHBondContact O-N 2.93Å; R979-S981 VanDerWaalsContact C-N 3.34Å; R979-S981 PolarHBondContact O-N 3.34Å
980	G	86.1	Confident	89.5	Confident	3 Å²	3	53.8 Å²	53.8	3%	0.031	28%	0.28	C	S	.	.	S	Bend	trans	79	9	176.3	0	0	0	0	0	115.4	N948 F977 P978	N948-G980 PolarHBondContact ND2-O 3.4Å; F977-G980 PolarHBondContact O-N 2.9Å; P978-G980 VanDerWaalsContact C-N 3.29Å
981	S	88.3	Confident	89.4	Confident	49 Å²	49	63.4 Å²	63.4	34%	0.343	32%	0.317	S	S	.	.			trans	-146.4	138.6	179.6	-175.1	0	0	0	0	112.7	D953 R979 T983	D953-S981 PolarHBondContact OD1-OG 2.98Å; D953-S981 WeakPolarHBondContact OD2-CB 3.41Å; D953-S981 PolarHBondContact OD2-OG 3.11Å; R979-S981 VanDerWaalsContact C-N 3.34Å; R979-S981 PolarHBondContact O-N 3.34Å; S981-T983 WeakPolarHBondContact OG-CB 3.4Å; S981-T983 PolarHBondContact OG-N 3.4Å; S981-T983 PolarHBondContact OG-OG1 2.99Å
982	A	90.6	Very high	89.1	Confident	2 Å²	2	63.8 Å²	63.8	2%	0.017	32%	0.324	C	S	.	.			trans	-106.1	0.8	171.9	0	0	0	0	0	112.2	W945 D953 L956 F977 S984 L985 I986	W945-A982 HydrophobicContact CH2-CB 3.82Å; W945-A982 HydrophobicContact CZ2-CB 4.15Å; D953-A982 PolarHBondContact OD1-N 3Å; L956-A982 HydrophobicContact CD2-CB 3.65Å; F977-A982 HydrophobicContact CD1-CB 3.77Å; F977-A982 HydrophobicContact CD2-CB 4.03Å; F977-A982 HydrophobicContact CE1-CB 3.6Å; F977-A982 HydrophobicContact CE2-CB 3.87Å; F977-A982 HydrophobicContact CG-CB 3.99Å; F977-A982 HydrophobicContact CZ-CB 3.66Å; A982-S984 VanDerWaalsContact C-N 3.33Å; A982-S984 PolarHBondContact O-N 3.39Å; A982-L985 PolarHBondContact O-N 3.15Å; A982-I986 HydrophobicContact CB-CD1 4.06Å; A982-I986 HydrophobicContact CB-CG1 4.39Å; A982-I986 WeakPolarHBondContact O-CG1 3.41Å; A982-I986 PolarHBondContact O-N 3.06Å
983	T	88.9	Confident	88.2	Confident	25 Å²	25	68.9 Å²	68.9	15%	0.153	35%	0.347	C	S	.	.	H	α-helix	trans	-52.4	-45.2	-171.6	-69.5	0	0	0	0	113	S950 K952 D953 S981 L985 I986 E987	S950-T983 PolarHBondContact OG-OG1 3.32Å; K952-T983 HydrophobicContact CD-CG2 4.19Å; D953-T983 VanDerWaalsContact CG-OG1 3.3Å; D953-T983 PolarHBondContact OD1-N 2.83Å; D953-T983 VanDerWaalsContact OD1-N 3.09Å; D953-T983 PolarHBondContact OD1-OG1 3.1Å; D953-T983 PolarHBondContact OD2-OG1 3.46Å; S981-T983 WeakPolarHBondContact OG-CB 3.4Å; S981-T983 PolarHBondContact OG-N 3.4Å; S981-T983 PolarHBondContact OG-OG1 2.99Å; T983-L985 VanDerWaalsContact C-N 3.33Å; T983-L985 PolarHBondContact O-N 3.42Å; T983-I986 PolarHBondContact O-N 3.04Å; T983-E987 HydrophobicContact CG2-CG 4.48Å; T983-E987 WeakPolarHBondContact O-CB 3.36Å; T983-E987 WeakPolarHBondContact O-CG 3.43Å; T983-E987 PolarHBondContact O-N 3.45Å
984	S	87.9	Confident	87.1	Confident	99 Å²	99	77.5 Å²	77.5	69%	0.692	39%	0.394	S	S	*	.	H	α-helix	trans	-63.3	-36.5	179.3	-53.4	0	0	0	0	113.2	A982 H988	A982-S984 VanDerWaalsContact C-N 3.33Å; A982-S984 PolarHBondContact O-N 3.39Å; S984-H988 WeakPolarHBondContact O-CB 3.47Å; S984-H988 PolarHBondContact O-N 3.06Å
985	L	90.4	Very high	86.2	Confident	60 Å²	60	78.5 Å²	78.5	31%	0.314	40%	0.4	S	S	.	.	H	α-helix	trans	-72	-42.9	176.7	179.8	63.9	0	0	0	110.9	F977 A982 T983 E987 H988 R989 L1002	F977-L985 HydrophobicContact CE1-CB 4.39Å; F977-L985 HydrophobicContact CE1-CD2 3.73Å; F977-L985 HydrophobicContact CZ-CD2 3.82Å; A982-L985 PolarHBondContact O-N 3.15Å; T983-L985 VanDerWaalsContact C-N 3.33Å; T983-L985 PolarHBondContact O-N 3.42Å; L985-E987 VanDerWaalsContact C-N 3.29Å; L985-E987 PolarHBondContact O-N 2.74Å; L985-H988 PolarHBondContact O-N 3.13Å; L985-R989 HydrophobicContact CD1-CG 4.37Å; L985-R989 WeakPolarHBondContact O-CB 3.4Å; L985-R989 WeakPolarHBondContact O-CG 3.34Å; L985-R989 PolarHBondContact O-N 3.28Å; L985-L1002 HydrophobicContact CD2-CD1 4.12Å; L985-L1002 HydrophobicContact CD2-CD2 4.43Å
986	I	89.7	Confident	85.3	Confident	6 Å²	6	81.9 Å²	81.9	3%	0.031	42%	0.415	C	S	.	.	H	α-helix	trans	-59.4	-44	176.8	-65	167.4	0	0	0	109.9	K952 L956 A982 T983 R989 A990 V998 I999 L1002	K952-I986 HydrophobicContact CB-CD1 3.99Å; K952-I986 HydrophobicContact CD-CG2 4.09Å; K952-I986 HydrophobicContact CG-CG2 4.46Å; L956-I986 HydrophobicContact CB-CD1 4.48Å; L956-I986 HydrophobicContact CD2-CD1 4.35Å; A982-I986 HydrophobicContact CB-CD1 4.06Å; A982-I986 HydrophobicContact CB-CG1 4.39Å; A982-I986 WeakPolarHBondContact O-CG1 3.41Å; A982-I986 PolarHBondContact O-N 3.06Å; T983-I986 PolarHBondContact O-N 3.04Å; I986-R989 PolarHBondContact O-N 2.93Å; I986-A990 VanDerWaalsContact O-CB 3.31Å; I986-A990 WeakPolarHBondContact O-CB 3.37Å; I986-A990 PolarHBondContact O-N 3.45Å; I986-V998 HydrophobicContact CG2-CG1 4.4Å; I986-I999 HydrophobicContact CG2-CG1 4.05Å; I986-L1002 HydrophobicContact CD1-CD2 4.47Å; I986-L1002 HydrophobicContact CG1-CD2 3.84Å
987	E	89.1	Confident	85	Confident	70 Å²	70	83.8 Å²	83.8	33%	0.327	43%	0.428	S	S	.	.	H	α-helix	trans	-65.6	-41.7	176.7	-77.4	178.3	179	0	0	113.4	K952 T983 L985 R989 R991	K952-E987 HydrophobicContact CD-CG 4.4Å; K952-E987 VanDerWaalsContact NZ-CD 3.35Å; K952-E987 IonicContact NZ-OE1 3.37Å; K952-E987 PolarHBondContact NZ-OE1 3.09Å; T983-E987 HydrophobicContact CG2-CG 4.48Å; T983-E987 WeakPolarHBondContact O-CB 3.36Å; T983-E987 WeakPolarHBondContact O-CG 3.43Å; T983-E987 PolarHBondContact O-N 3.45Å; L985-E987 VanDerWaalsContact C-N 3.29Å; L985-E987 PolarHBondContact O-N 2.74Å; E987-R989 VanDerWaalsContact C-N 3.34Å; E987-R991 WeakPolarHBondContact O-CG 3.46Å; E987-R991 PolarHBondContact O-N 2.99Å
988	H	89.2	Confident	84.9	Confident	114 Å²	114	83 Å²	83	53%	0.528	43%	0.425	S	S	.	.	H	α-helix	trans	-62.3	-44.4	176	-177.8	66	0	0	0	111.2	S984 L985 R991 T992	S984-H988 WeakPolarHBondContact O-CB 3.47Å; S984-H988 PolarHBondContact O-N 3.06Å; L985-H988 PolarHBondContact O-N 3.13Å; H988-R991 PolarHBondContact O-N 2.77Å; H988-T992 WeakPolarHBondContact O-CB 3.48Å; H988-T992 WeakPolarHBondContact O-CG2 3.16Å; H988-T992 PolarHBondContact O-N 3.02Å; H988-T992 VanDerWaalsContact O-N 3.14Å; H988-T992 PolarHBondContact O-OG1 2.75Å
989	R	88.8	Confident	85.1	Confident	46 Å²	46	80.8 Å²	80.8	17%	0.174	41%	0.408	C	S	.	.	H	α-helix	trans	-66.7	-42.6	177.6	-74	-171.9	179.7	-164.3	0.8	112.7	L985 I986 E987 R991 T992 H993 V998 E1005	L985-R989 HydrophobicContact CD1-CG 4.37Å; L985-R989 WeakPolarHBondContact O-CB 3.4Å; L985-R989 WeakPolarHBondContact O-CG 3.34Å; L985-R989 PolarHBondContact O-N 3.28Å; I986-R989 PolarHBondContact O-N 2.93Å; E987-R989 VanDerWaalsContact C-N 3.34Å; R989-R991 PolarHBondContact O-N 3.26Å; R989-T992 WeakPolarHBondContact CA-OG1 3.43Å; R989-T992 PolarHBondContact O-N 3.13Å; R989-T992 PolarHBondContact O-OG1 2.72Å; R989-H993 WeakPolarHBondContact O-CB 3.22Å; R989-H993 PolarHBondContact O-N 2.95Å; R989-V998 HydrophobicContact CB-CG1 3.49Å; R989-V998 VanDerWaalsContact CB-CG1 3.49Å; R989-E1005 IonicContact CZ-OE2 3.37Å; R989-E1005 IonicContact NH1-OE2 2.78Å; R989-E1005 PolarHBondContact NH1-OE2 3.24Å; R989-E1005 IonicContact NH2-OE1 2.89Å; R989-E1005 PolarHBondContact NH2-OE1 2.91Å; R989-E1005 IonicContact NH2-OE2 3.12Å; R989-E1005 PolarHBondContact NH2-OE2 3.27Å
990	A	86.1	Confident	85.4	Confident	60 Å²	60	76.2 Å²	76.2	50%	0.496	40%	0.395	S	S	.	.	H	α-helix	trans	-62.8	-21.4	175.8	0	0	0	0	0	113.7	I986 V998	I986-A990 VanDerWaalsContact O-CB 3.31Å; I986-A990 WeakPolarHBondContact O-CB 3.37Å; I986-A990 PolarHBondContact O-N 3.45Å; A990-V998 HydrophobicContact CB-CG2 4.3Å
991	R	86.7	Confident	85.6	Confident	210 Å²	210	80.1 Å²	80.1	79%	0.792	41%	0.413	S	S	*	.	H	α-helix	trans	-89.4	-22.8	173.2	-70.3	178.3	-172.1	174.3	6	113.9	E987 H988 R989	E987-R991 WeakPolarHBondContact O-CG 3.46Å; E987-R991 PolarHBondContact O-N 2.99Å; H988-R991 PolarHBondContact O-N 2.77Å; R989-R991 PolarHBondContact O-N 3.26Å
992	T	83.7	Confident	85.8	Confident	79 Å²	79	77.8 Å²	77.8	49%	0.485	40%	0.397	S	S	.	.	H	α-helix	trans	-108.1	-21.1	-170.9	48.2	0	0	0	0	113.5	H988 R989	H988-T992 WeakPolarHBondContact O-CB 3.48Å; H988-T992 WeakPolarHBondContact O-CG2 3.16Å; H988-T992 PolarHBondContact O-N 3.02Å; H988-T992 VanDerWaalsContact O-N 3.14Å; H988-T992 PolarHBondContact O-OG1 2.75Å; R989-T992 WeakPolarHBondContact CA-OG1 3.43Å; R989-T992 PolarHBondContact O-N 3.13Å; R989-T992 PolarHBondContact O-OG1 2.72Å
993	H	73.9	Confident	85.8	Confident	106 Å²	106	78 Å²	78	49%	0.491	40%	0.398	S	S	.	.	S	Bend	trans	-116.5	134.3	177.2	-65.5	-75	0	0	0	110.1	R989 S995	R989-H993 WeakPolarHBondContact O-CB 3.22Å; R989-H993 PolarHBondContact O-N 2.95Å; H993-S995 PolarHBondContact O-N 3.17Å
994	D	71.7	Confident	85.9	Confident	182 Å²	182	78.9 Å²	78.9	97%	0.973	41%	0.408	S	S	*	.			trans	-75	23.2	174.9	-106.7	-2.2	0	0	0	113.2
995	S	72.9	Confident	86.1	Confident	33 Å²	33	76.1 Å²	76.1	23%	0.231	38%	0.384	C	S	.	.			trans	-87.4	127.3	179.3	179.1	0	0	0	0	111	H993 N997 V998 E1001	H993-S995 PolarHBondContact O-N 3.17Å; S995-N997 PolarHBondContact O-N 3.05Å; S995-N997 PolarHBondContact OG-N 3.48Å; S995-N997 VanDerWaalsContact OG-N 3.13Å; S995-V998 WeakPolarHBondContact O-CG2 3.45Å; S995-E1001 VanDerWaalsContact CB-OE1 3.27Å; S995-E1001 WeakPolarHBondContact CB-OE1 3.44Å; S995-E1001 VanDerWaalsContact OG-CD 3.23Å; S995-E1001 PolarHBondContact OG-OE1 3.35Å
996	E	72.1	Confident	86.2	Confident	197 Å²	197	73.4 Å²	73.4	92%	0.921	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-14	170.6	-66.5	-172.5	160.3	0	0	112.6
997	N	86.8	Confident	86.3	Confident	99 Å²	99	74.8 Å²	74.8	53%	0.529	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.8	36.4	-170	-83.3	-34.9	0	0	0	114.9	S995 I999 H1000 E1001	S995-N997 PolarHBondContact O-N 3.05Å; S995-N997 PolarHBondContact OG-N 3.48Å; S995-N997 VanDerWaalsContact OG-N 3.13Å; N997-I999 PolarHBondContact O-N 2.84Å; N997-H1000 PolarHBondContact O-N 3.33Å; N997-H1000 VanDerWaalsContact O-N 3.08Å; N997-E1001 PolarHBondContact O-N 2.91Å; N997-E1001 VanDerWaalsContact O-N 3.12Å
998	V	89.6	Confident	86.3	Confident	11 Å²	11	80.2 Å²	80.2	7%	0.067	40%	0.395	C	S	.	.	H	α-helix	trans	-47	-37.4	-179.7	176.8	0	0	0	0	114.2	I986 R989 A990 S995 L1002	I986-V998 HydrophobicContact CG2-CG1 4.4Å; R989-V998 HydrophobicContact CB-CG1 3.49Å; R989-V998 VanDerWaalsContact CB-CG1 3.49Å; A990-V998 HydrophobicContact CB-CG2 4.3Å; S995-V998 WeakPolarHBondContact O-CG2 3.45Å; V998-L1002 WeakPolarHBondContact O-CB 3.31Å; V998-L1002 PolarHBondContact O-N 2.87Å
999	I	90.2	Very high	86.3	Confident	40 Å²	40	80.6 Å²	80.6	21%	0.205	40%	0.395	C	S	.	.	H	α-helix	trans	-69.5	-45.4	-177.3	-63.6	178	0	0	0	111.5	A955 L956 I986 N997 L1002 A1003	A955-I999 HydrophobicContact CB-CD1 3.92Å; A955-I999 HydrophobicContact CB-CG2 4.31Å; L956-I999 HydrophobicContact CB-CG2 3.99Å; L956-I999 HydrophobicContact CD1-CG2 4.21Å; I986-I999 HydrophobicContact CG2-CG1 4.05Å; N997-I999 PolarHBondContact O-N 2.84Å; I999-L1002 PolarHBondContact O-N 3.35Å; I999-A1003 PolarHBondContact O-N 3.41Å
1000	H	90.5	Very high	86.1	Confident	109 Å²	109	79.1 Å²	79.1	51%	0.505	39%	0.39	S	S	.	.	H	α-helix	trans	-69	-36.9	178.5	-78.7	-72.6	0	0	0	111.6	N997 A1003 A1004	N997-H1000 PolarHBondContact O-N 3.33Å; N997-H1000 VanDerWaalsContact O-N 3.08Å; H1000-A1003 PolarHBondContact O-N 3.41Å; H1000-A1004 WeakPolarHBondContact O-CB 3.12Å; H1000-A1004 PolarHBondContact O-N 3.17Å
1001	E	90.1	Very high	85.7	Confident	85 Å²	85	78.6 Å²	78.6	40%	0.397	39%	0.39	S	S	.	.	H	α-helix	trans	-62.5	-43.6	173.5	-70.3	177.5	-175.8	0	0	111.9	S995 N997 A1004 E1005	S995-E1001 VanDerWaalsContact CB-OE1 3.27Å; S995-E1001 WeakPolarHBondContact CB-OE1 3.44Å; S995-E1001 VanDerWaalsContact OG-CD 3.23Å; S995-E1001 PolarHBondContact OG-OE1 3.35Å; N997-E1001 PolarHBondContact O-N 2.91Å; N997-E1001 VanDerWaalsContact O-N 3.12Å; E1001-A1004 PolarHBondContact O-N 2.99Å; E1001-E1005 WeakPolarHBondContact O-CB 3.45Å; E1001-E1005 PolarHBondContact O-N 2.82Å
1002	L	92.2	Very high	85.1	Confident	1 Å²	1	79.7 Å²	79.7	1%	0.005	40%	0.396	C	S	.	.	H	α-helix	trans	-63.6	-43.9	175.3	179.7	60.8	0	0	0	111.1	L956 F977 L985 I986 V998 I999 A1004 E1005 L1006	L956-L1002 HydrophobicContact CD1-CB 4.3Å; L956-L1002 HydrophobicContact CD1-CD2 4.14Å; L956-L1002 HydrophobicContact CD1-CG 4.08Å; L956-L1002 HydrophobicContact CD2-CD2 3.83Å; L956-L1002 HydrophobicContact CD2-CG 4.45Å; F977-L1002 HydrophobicContact CZ-CD2 4.35Å; L985-L1002 HydrophobicContact CD2-CD1 4.12Å; L985-L1002 HydrophobicContact CD2-CD2 4.43Å; I986-L1002 HydrophobicContact CD1-CD2 4.47Å; I986-L1002 HydrophobicContact CG1-CD2 3.84Å; V998-L1002 WeakPolarHBondContact O-CB 3.31Å; V998-L1002 PolarHBondContact O-N 2.87Å; I999-L1002 PolarHBondContact O-N 3.35Å; L1002-A1004 PolarHBondContact O-N 3.32Å; L1002-E1005 PolarHBondContact O-N 2.97Å; L1002-L1006 HydrophobicContact CD1-CD1 4.36Å; L1002-L1006 HydrophobicContact CD1-CG 4.28Å; L1002-L1006 HydrophobicContact CG-CD1 4.15Å; L1002-L1006 VanDerWaalsContact O-CG 3.25Å; L1002-L1006 WeakPolarHBondContact O-CG 3.49Å; L1002-L1006 PolarHBondContact O-N 3.48Å
1003	A	91.9	Very high	84.2	Confident	5 Å²	5	81.9 Å²	81.9	4%	0.041	41%	0.405	C	S	.	.	H	α-helix	trans	-58.1	-49.4	175.1	0	0	0	0	0	111.5	L956 A959 L960 I999 H1000 E1005 L1006 I1007	L956-A1003 HydrophobicContact CD1-CB 3.99Å; A959-A1003 HydrophobicContact CB-CB 3.98Å; L960-A1003 HydrophobicContact CD2-CB 3.95Å; L960-A1003 HydrophobicContact CG-CB 4.14Å; I999-A1003 PolarHBondContact O-N 3.41Å; H1000-A1003 PolarHBondContact O-N 3.41Å; A1003-E1005 VanDerWaalsContact C-N 3.32Å; A1003-E1005 PolarHBondContact O-N 3.35Å; A1003-L1006 PolarHBondContact O-N 2.88Å; A1003-I1007 VanDerWaalsContact O-CG1 3.3Å; A1003-I1007 WeakPolarHBondContact O-CG1 3.33Å; A1003-I1007 PolarHBondContact O-N 3.29Å
1004	A	90.9	Very high	83.3	Confident	44 Å²	44	82.5 Å²	82.5	36%	0.364	41%	0.411	S	S	.	.	H	α-helix	trans	-64.5	-33.8	178.3	0	0	0	0	0	112.9	H1000 E1001 L1002 R1008	H1000-A1004 WeakPolarHBondContact O-CB 3.12Å; H1000-A1004 PolarHBondContact O-N 3.17Å; E1001-A1004 PolarHBondContact O-N 2.99Å; L1002-A1004 PolarHBondContact O-N 3.32Å; A1004-R1008 WeakPolarHBondContact O-CB 3.44Å; A1004-R1008 VanDerWaalsContact O-CG 3.26Å; A1004-R1008 WeakPolarHBondContact O-CG 3.31Å; A1004-R1008 PolarHBondContact O-N 3.37Å; A1004-R1008 PolarHBondContact O-NE 3.21Å
1005	E	92.1	Very high	83.9	Confident	42 Å²	42	77.5 Å²	77.5	20%	0.196	38%	0.383	C	S	.	.	H	α-helix	trans	-64.6	-47.2	171.7	-174.9	-167	146	0	0	111.8	R989 E1001 L1002 A1003 I1007 R1008 K1009	R989-E1005 IonicContact CZ-OE2 3.37Å; R989-E1005 IonicContact NH1-OE2 2.78Å; R989-E1005 PolarHBondContact NH1-OE2 3.24Å; R989-E1005 IonicContact NH2-OE1 2.89Å; R989-E1005 PolarHBondContact NH2-OE1 2.91Å; R989-E1005 IonicContact NH2-OE2 3.12Å; R989-E1005 PolarHBondContact NH2-OE2 3.27Å; E1001-E1005 WeakPolarHBondContact O-CB 3.45Å; E1001-E1005 PolarHBondContact O-N 2.82Å; L1002-E1005 PolarHBondContact O-N 2.97Å; A1003-E1005 VanDerWaalsContact C-N 3.32Å; A1003-E1005 PolarHBondContact O-N 3.35Å; E1005-I1007 VanDerWaalsContact C-N 3.31Å; E1005-I1007 PolarHBondContact O-N 3.19Å; E1005-R1008 PolarHBondContact O-N 3.26Å; E1005-K1009 HydrophobicContact CG-CD 4.37Å; E1005-K1009 WeakPolarHBondContact O-CG 3.3Å; E1005-K1009 PolarHBondContact O-N 2.97Å; E1005-K1009 WeakPolarHBondContact OE1-CE 3.44Å; E1005-K1009 IonicContact OE1-NZ 3.93Å; E1005-K1009 PolarHBondContact OE1-NZ 3.11Å
1006	L	92.8	Very high	84.5	Confident	2 Å²	2	79.8 Å²	79.8	1%	0.01	39%	0.391	C	S	.	.	H	α-helix	trans	-62	-40.7	178.8	-68.7	169.7	0	0	0	111.4	L956 L960 I972 L973 H976 F977 L1002 A1003 K1009 Q1010	L956-L1006 HydrophobicContact CD1-CD1 4.43Å; L960-L1006 HydrophobicContact CD1-CD1 4.11Å; L960-L1006 HydrophobicContact CD2-CB 4.38Å; I972-L1006 HydrophobicContact CG2-CB 3.86Å; L973-L1006 HydrophobicContact CD2-CD1 4.46Å; H976-L1006 HydrophobicContact CB-CD2 3.84Å; H976-L1006 WeakPolarHBondContact CD2-CD2 3.27Å; H976-L1006 VanDerWaalsContact CG-CD2 3.44Å; F977-L1006 HydrophobicContact CE2-CD1 3.95Å; F977-L1006 HydrophobicContact CE2-CD2 4.23Å; L1002-L1006 HydrophobicContact CD1-CD1 4.36Å; L1002-L1006 HydrophobicContact CD1-CG 4.28Å; L1002-L1006 HydrophobicContact CG-CD1 4.15Å; L1002-L1006 VanDerWaalsContact O-CG 3.25Å; L1002-L1006 WeakPolarHBondContact O-CG 3.49Å; L1002-L1006 PolarHBondContact O-N 3.48Å; A1003-L1006 PolarHBondContact O-N 2.88Å; L1006-K1009 PolarHBondContact O-N 2.88Å; L1006-Q1010 WeakPolarHBondContact O-CG 3.32Å
1007	I	90.8	Very high	85.1	Confident	35 Å²	35	73.3 Å²	73.3	18%	0.179	36%	0.361	C	S	.	.	H	α-helix	trans	-62.9	-50	174	-68.5	168.4	0	0	0	110.3	L960 E963 V964 A1003 E1005 K1009 Q1010 L1014	L960-I1007 HydrophobicContact CD2-CD1 3.95Å; L960-I1007 HydrophobicContact CD2-CG1 3.7Å; E963-I1007 HydrophobicContact CB-CD1 3.7Å; E963-I1007 HydrophobicContact CG-CD1 3.94Å; V964-I1007 HydrophobicContact CG1-CD1 4.38Å; V964-I1007 HydrophobicContact CG1-CG1 4.2Å; A1003-I1007 VanDerWaalsContact O-CG1 3.3Å; A1003-I1007 WeakPolarHBondContact O-CG1 3.33Å; A1003-I1007 PolarHBondContact O-N 3.29Å; E1005-I1007 VanDerWaalsContact C-N 3.31Å; E1005-I1007 PolarHBondContact O-N 3.19Å; I1007-K1009 VanDerWaalsContact C-N 3.26Å; I1007-K1009 PolarHBondContact O-N 3.45Å; I1007-Q1010 WeakPolarHBondContact O-CB 2.98Å; I1007-Q1010 PolarHBondContact O-N 2.97Å; I1007-L1014 HydrophobicContact CG2-CD1 3.61Å
1008	R	89.2	Confident	85	Confident	185 Å²	185	71.8 Å²	71.8	70%	0.698	35%	0.351	S	S	*	.	H	α-helix	trans	-58.3	-36.8	178	-78.9	-178	-66.9	163	-2.1	112.8	A1004 E1005 Q1010 G1011	A1004-R1008 WeakPolarHBondContact O-CB 3.44Å; A1004-R1008 VanDerWaalsContact O-CG 3.26Å; A1004-R1008 WeakPolarHBondContact O-CG 3.31Å; A1004-R1008 PolarHBondContact O-N 3.37Å; A1004-R1008 PolarHBondContact O-NE 3.21Å; E1005-R1008 PolarHBondContact O-N 3.26Å; R1008-Q1010 PolarHBondContact O-N 3.47Å; R1008-G1011 PolarHBondContact O-N 2.9Å
1009	K	89.2	Confident	84.8	Confident	121 Å²	121	75.6 Å²	75.6	53%	0.526	37%	0.369	S	S	.	.	H	α-helix	trans	-63.4	-24	177.6	-81.9	174.3	168.8	169.6	0	113.5	E1005 L1006 I1007 G1011	E1005-K1009 HydrophobicContact CG-CD 4.37Å; E1005-K1009 WeakPolarHBondContact O-CG 3.3Å; E1005-K1009 PolarHBondContact O-N 2.97Å; E1005-K1009 WeakPolarHBondContact OE1-CE 3.44Å; E1005-K1009 IonicContact OE1-NZ 3.93Å; E1005-K1009 PolarHBondContact OE1-NZ 3.11Å; L1006-K1009 PolarHBondContact O-N 2.88Å; I1007-K1009 VanDerWaalsContact C-N 3.26Å; I1007-K1009 PolarHBondContact O-N 3.45Å; K1009-G1011 VanDerWaalsContact C-N 3.31Å
1010	Q	84	Confident	84.4	Confident	15 Å²	15	78 Å²	78	7%	0.07	38%	0.38	C	S	.	.	H	α-helix	trans	-72.4	-24.5	176.9	-61.6	-62.1	-47.9	0	0	112.5	I972 E975 L1006 I1007 R1008 Y1012 N1013 L1014	I972-Q1010 HydrophobicContact CD1-CG 3.8Å; I972-Q1010 HydrophobicContact CG1-CG 3.91Å; E975-Q1010 PolarHBondContact OE2-NE2 3.39Å; E975-Q1010 VanDerWaalsContact OE2-NE2 3.13Å; L1006-Q1010 WeakPolarHBondContact O-CG 3.32Å; I1007-Q1010 WeakPolarHBondContact O-CB 2.98Å; I1007-Q1010 PolarHBondContact O-N 2.97Å; R1008-Q1010 PolarHBondContact O-N 3.47Å; Q1010-Y1012 PolarHBondContact O-N 3.5Å; Q1010-N1013 WeakPolarHBondContact O-CB 3.31Å; Q1010-N1013 PolarHBondContact O-N 3.5Å; Q1010-N1013 VanDerWaalsContact O-N 3.08Å; Q1010-L1014 HydrophobicContact CB-CD1 3.96Å; Q1010-L1014 HydrophobicContact CB-CG 3.82Å; Q1010-L1014 HydrophobicContact CG-CG 4.45Å
1011	G	79.7	Confident	84	Confident	49 Å²	49	75.8 Å²	75.8	51%	0.505	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	57	-132.1	-179.7	0	0	0	0	0	112.5	R1008 K1009 N1013	R1008-G1011 PolarHBondContact O-N 2.9Å; K1009-G1011 VanDerWaalsContact C-N 3.31Å; G1011-N1013 PolarHBondContact O-N 2.97Å
1012	Y	73.7	Confident	83.5	Confident	233 Å²	233	75.1 Å²	75.1	91%	0.914	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-73.7	1.9	176.9	-64.8	-77.1	0	0	0	114.6	Q1010 L1014	Q1010-Y1012 PolarHBondContact O-N 3.5Å; Y1012-L1014 PolarHBondContact O-N 2.89Å
1013	N	63.2	Low	82.8	Confident	125 Å²	125	81.3 Å²	81.3	67%	0.668	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-83.9	7.3	174.8	-71.7	-33.5	0	0	0	113.2	R968 Q1010 G1011	R968-N1013 PolarHBondContact NH2-O 3.12Å; Q1010-N1013 WeakPolarHBondContact O-CB 3.31Å; Q1010-N1013 PolarHBondContact O-N 3.5Å; Q1010-N1013 VanDerWaalsContact O-N 3.08Å; G1011-N1013 PolarHBondContact O-N 2.97Å
1014	L	55.8	Low	81.9	Confident	119 Å²	119	88.2 Å²	88.2	62%	0.623	43%	0.432	S	S	*	.			trans	-97.9	0	163.7	-73.2	164.7	0	0	0	107.9	V964 R968 I1007 Q1010 Y1012	V964-L1014 HydrophobicContact CB-CD2 4.07Å; V964-L1014 HydrophobicContact CG1-CD1 4.47Å; V964-L1014 HydrophobicContact CG1-CD2 3.53Å; R968-L1014 HydrophobicContact CG-CD2 4.15Å; I1007-L1014 HydrophobicContact CG2-CD1 3.61Å; Q1010-L1014 HydrophobicContact CB-CD1 3.96Å; Q1010-L1014 HydrophobicContact CB-CG 3.82Å; Q1010-L1014 HydrophobicContact CG-CG 4.45Å; Y1012-L1014 PolarHBondContact O-N 2.89Å

Retrieved 1,014 of 1,014 residues in 407.5 ms (Link to these results)

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