A0A087WW66_HUMAN Loading...

26S proteasome non-ATPase regulatory subunit 1

Component of the 26S proteasome, a multiprotein complex involved in the ATP-dependent degradation of ubiquitinated proteins. This complex plays a key role in the maintenance of protein homeostasis by removing misfolded or damaged proteins, which could impair cellular functions, and by removing proteins whose functions are no longer required. Therefore, the proteasome participates in numerous cellular processes, including cell cycle progression, apoptosis, or DNA damage repair.

AlphaFold DB , UniProt , Accession A0A087WW66, Species HUMAN (Homo sapiens, Human), Gene PSMD1, Length 914 aa.

						>A0A087WW66_HUMAN|A0A087WW66|PSMD1
MITSAAGIISLLDEDEPQLKEFALHKLNAVVNDFWAEISESVDKIEVLYEDEGFRSRQFAALVASKVFYHLGAFEESLNYALGAGDLFNVNDNSEYVETIIAKCIDHYTKQCVENADLPEGEKKPIDQRLEGIVNKMFQRCLDDHKYKQAIGIALETRRLDVFEKTILESNDVPGMLAYSLKLCMSLMQNKQFRNKVLRVLVKIYMNLEKPDFINVCQCLIFLDDPQAVSDILEKLVKEDNLLMAYQICFDLYESASQQFLSSVIQNLRTVGTPIASVPGSTNTGTVPGSEKDSDSMETEEKTSSAFVGKTPEASPEPKDQTLKMIKILSGEMAIELHLQFLIRNNNTDLMILKNTKDAVRNSVCHTATVIANSFMHCGTTSDQFLRDNLEWLARATNWAKFTATASLGVIHKGHEKEALQLMATYLPKDTSPGSAYQEGGGLYALGLIHANHGGDIIDYLLNQLKNASNDIVRHGGSLGLGLAAMGTARQDVYDLLKTNLYQDDAVTGEAAGLALGLVMLGSKNAQAIEDMVGYAQETQHEKILRGLAVGIALVMYGRMEEADALIESLCRDKDPILRRSGMYTVAMAYCGSGNNKAIRRLLHVAVSDVNDDVRRAAVESLGFILFRTPEQCPSVVSLLSESYNPHVRYGAAMALGICCAGTGNKVNQFRQLYSKVINDKHDDVMAKFGAILAQGILDAGGHNVTISLQSRTGHTHMPSVVGVLVFTQFWFWFPLSHFLSLAYTPTCVIGLNKDLKMPKVQYKSNCKPSTFAYPAPLEVPKEKEKEKVSTAVLSITAKAKKKEKEKEKKEEEKMEVDEAEKKEEKEKKKEPEPNFQLLDNPARVMPAQLKVLTMPETCRYQPFKPLSIGGIIILKDTSEDIEELVEPVAAHGPKIEEEEQEPEPPEPFEYIDD
					

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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	46.8	Very low	72.4	Confident	241 Å²	241	65.1 Å²	65.1	100%	1.187	40%	0.4	S	S	*	.				0	134.1	0	-71.4	173.2	-98.4	0	0	107.3
2	I	53.3	Low	73	Confident	73 Å²	73	60.5 Å²	60.5	37%	0.374	37%	0.371	S	S	.	.			trans	-92.6	144.7	171.9	-68.6	175.2	0	0	0	106.6	S4 I8 F34	I2-S4 WeakPolarHBondContact CG2-O 3.38Å; I2-I8 HydrophobicContact CD1-CD1 4.2Å; I2-F34 WeakPolarHBondContact O-CZ 3.43Å
3	T	65.8	Low	73.6	Confident	136 Å²	136	63.3 Å²	63.3	83%	0.834	38%	0.382	S	S	*	.	S	Bend	trans	-104	-12.2	-175.1	52.1	0	0	0	0	114.1
4	S	74.7	Confident	74.3	Confident	37 Å²	37	66.9 Å²	66.9	26%	0.259	39%	0.392	S	S	.	.			trans	-164.6	145.4	175.4	162.7	0	0	0	0	108.6	I2 A6 E37	I2-S4 WeakPolarHBondContact CG2-O 3.38Å; S4-A6 VanDerWaalsContact C-N 3.29Å; S4-A6 WeakPolarHBondContact OG-CB 3.36Å; S4-A6 PolarHBondContact OG-N 2.96Å; S4-A6 VanDerWaalsContact OG-N 3.1Å; S4-E37 WeakPolarHBondContact CA-OE2 3.06Å; S4-E37 WeakPolarHBondContact CB-OE1 3.41Å; S4-E37 WeakPolarHBondContact CB-OE2 3.44Å; S4-E37 VanDerWaalsContact OG-CD 3.26Å; S4-E37 PolarHBondContact OG-OE1 3.35Å; S4-E37 PolarHBondContact OG-OE2 3.17Å
5	A	75.8	Confident	74.4	Confident	0 Å²	0	72.1 Å²	72.1	0%	0	42%	0.418	C	S	.	.	S	Bend	trans	-76.9	-10.1	173.6	0	0	0	0	0	113.5	G7 I8 I9 F34 E37 I38	A5-G7 VanDerWaalsContact C-N 3.28Å; A5-G7 PolarHBondContact O-N 3.17Å; A5-I8 WeakPolarHBondContact O-CA 3.33Å; A5-I8 WeakPolarHBondContact O-CB 3.37Å; A5-I8 PolarHBondContact O-N 3.17Å; A5-I9 HydrophobicContact CB-CD1 4.31Å; A5-I9 PolarHBondContact O-N 3.48Å; A5-F34 HydrophobicContact CB-CB 3.86Å; A5-F34 HydrophobicContact CB-CG 4.25Å; A5-E37 HydrophobicContact CB-CB 4.47Å; A5-E37 PolarHBondContact N-OE2 3.28Å; A5-I38 HydrophobicContact CB-CG1 4.12Å
6	A	77.5	Confident	75	Confident	54 Å²	54	74.7 Å²	74.7	45%	0.446	43%	0.425	S	S	.	.	H	α-helix	trans	-52.4	-40.8	-177.6	0	0	0	0	0	113.8	S4 I8 I9 S10	S4-A6 VanDerWaalsContact C-N 3.29Å; S4-A6 WeakPolarHBondContact OG-CB 3.36Å; S4-A6 PolarHBondContact OG-N 2.96Å; S4-A6 VanDerWaalsContact OG-N 3.1Å; A6-I8 PolarHBondContact O-N 3.23Å; A6-I9 PolarHBondContact O-N 3.1Å; A6-S10 PolarHBondContact O-N 2.65Å; A6-S10 PolarHBondContact O-OG 2.8Å
7	G	78.2	Confident	75.2	Confident	54 Å²	54	74.8 Å²	74.8	56%	0.557	43%	0.43	S	S	*	.	H	α-helix	trans	-75.7	4.3	175.4	0	0	0	0	0	115.5	A5	A5-G7 VanDerWaalsContact C-N 3.28Å; A5-G7 PolarHBondContact O-N 3.17Å
8	I	79.7	Confident	75.6	Confident	3 Å²	3	78.7 Å²	78.7	2%	0.015	44%	0.443	C	S	.	.	H	α-helix	trans	-107.7	-39.7	167.5	-45.5	172.2	0	0	0	109	I2 A5 A6 S10 L11 A23 K26 L27 V30	I2-I8 HydrophobicContact CD1-CD1 4.2Å; A5-I8 WeakPolarHBondContact O-CA 3.33Å; A5-I8 WeakPolarHBondContact O-CB 3.37Å; A5-I8 PolarHBondContact O-N 3.17Å; A6-I8 PolarHBondContact O-N 3.23Å; I8-S10 VanDerWaalsContact C-N 3.28Å; I8-S10 PolarHBondContact O-N 3.03Å; I8-L11 WeakPolarHBondContact O-CB 3.39Å; I8-L11 PolarHBondContact O-N 3.4Å; I8-A23 HydrophobicContact CG2-CB 4.12Å; I8-K26 HydrophobicContact CD1-CD 4.12Å; I8-K26 HydrophobicContact CD1-CG 4.04Å; I8-K26 HydrophobicContact CG1-CD 4.27Å; I8-K26 HydrophobicContact CG2-CB 4.17Å; I8-K26 HydrophobicContact CG2-CD 4.37Å; I8-L27 HydrophobicContact CB-CD2 4.46Å; I8-L27 HydrophobicContact CG2-CD1 4.48Å; I8-L27 HydrophobicContact CG2-CD2 4.22Å; I8-L27 HydrophobicContact CG2-CG 3.88Å; I8-V30 HydrophobicContact CD1-CG2 4.13Å
9	I	81.3	Confident	76	Confident	14 Å²	14	77.5 Å²	77.5	7%	0.072	44%	0.435	C	S	.	.	H	α-helix	trans	-59.4	-39.5	174.3	-64.6	167.4	0	0	0	110.7	A5 A6 L11 L12 E37 I38	A5-I9 HydrophobicContact CB-CD1 4.31Å; A5-I9 PolarHBondContact O-N 3.48Å; A6-I9 PolarHBondContact O-N 3.1Å; I9-L11 PolarHBondContact O-N 2.77Å; I9-L11 VanDerWaalsContact O-N 3.17Å; I9-L12 WeakPolarHBondContact O-CB 3.46Å; I9-L12 PolarHBondContact O-N 2.72Å; I9-E37 WeakPolarHBondContact CD1-O 3.31Å; I9-I38 HydrophobicContact CD1-CG1 4.47Å
10	S	82	Confident	76.3	Confident	60 Å²	60	75.2 Å²	75.2	42%	0.42	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-15.4	175.3	67.5	0	0	0	0	114.4	A6 I8 L12	A6-S10 PolarHBondContact O-N 2.65Å; A6-S10 PolarHBondContact O-OG 2.8Å; I8-S10 VanDerWaalsContact C-N 3.28Å; I8-S10 PolarHBondContact O-N 3.03Å; S10-L12 VanDerWaalsContact C-N 3.3Å
11	L	81.9	Confident	76.6	Confident	44 Å²	44	75.5 Å²	75.5	23%	0.23	42%	0.419	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-7.4	174.9	-56.9	174.1	0	0	0	112.5	I8 I9 A23	I8-L11 WeakPolarHBondContact O-CB 3.39Å; I8-L11 PolarHBondContact O-N 3.4Å; I9-L11 PolarHBondContact O-N 2.77Å; I9-L11 VanDerWaalsContact O-N 3.17Å; L11-A23 HydrophobicContact CB-CB 3.94Å
12	L	79	Confident	78.4	Confident	10 Å²	10	69.8 Å²	69.8	5%	0.052	39%	0.387	C	S	.	.	S	Bend	trans	-82	-22.4	171.7	-56.7	174.5	0	0	0	112	I9 S10 K20 A23 L27 I45 L48	I9-L12 WeakPolarHBondContact O-CB 3.46Å; I9-L12 PolarHBondContact O-N 2.72Å; S10-L12 VanDerWaalsContact C-N 3.3Å; L12-K20 WeakPolarHBondContact O-CE 3.36Å; L12-A23 HydrophobicContact CD2-CB 3.73Å; L12-A23 HydrophobicContact CG-CB 4.41Å; L12-L27 HydrophobicContact CD1-CD1 4.12Å; L12-L27 HydrophobicContact CD2-CD1 4.37Å; L12-I45 HydrophobicContact CD1-CG1 4.28Å; L12-L48 HydrophobicContact CB-CD1 4.44Å; L12-L48 HydrophobicContact CD2-CD1 3.96Å
13	D	81.3	Confident	79.9	Confident	97 Å²	97	66.3 Å²	66.3	52%	0.519	37%	0.369	S	S	.	.	S	Bend	trans	-80.8	-15.6	-179.9	-62.9	-44.2	0	0	0	113.3	K44	D13-K44 WeakPolarHBondContact OD1-CE 3.37Å; D13-K44 IonicContact OD1-NZ 3.48Å; D13-K44 PolarHBondContact OD1-NZ 2.69Å; D13-K44 IonicContact OD2-NZ 3.37Å; D13-K44 PolarHBondContact OD2-NZ 3.37Å
14	E	82.8	Confident	80.7	Confident	113 Å²	113	59.9 Å²	59.9	53%	0.528	33%	0.33	S	S	.	.	S	Bend	trans	-80.1	132.4	174.3	-72.6	-75.5	-170.9	0	0	110.7	E16 L19 K20	E14-E16 VanDerWaalsContact C-N 3.25Å; E14-E16 PolarHBondContact O-N 3.3Å; E14-E16 VanDerWaalsContact O-N 3.16Å; E14-L19 HydrophobicContact CB-CD1 4.02Å; E14-L19 HydrophobicContact CG-CD1 4.31Å; E14-K20 WeakPolarHBondContact O-CE 3.48Å
15	D	76.1	Confident	81.2	Confident	146 Å²	146	62.7 Å²	62.7	78%	0.781	34%	0.339	S	S	*	.	S	Bend	trans	-65.2	-20.5	-173.1	-82.9	-39.5	0	0	0	115.1	P17	D15-P17 WeakPolarHBondContact O-CD 3.33Å
16	E	83.5	Confident	81.6	Confident	113 Å²	113	66.4 Å²	66.4	53%	0.528	36%	0.355	S	S	.	.			trans	-73.2	118.3	-170.9	-168.4	168.9	-132.1	0	0	112.4	E14 Q18 L19 K20	E14-E16 VanDerWaalsContact C-N 3.25Å; E14-E16 PolarHBondContact O-N 3.3Å; E14-E16 VanDerWaalsContact O-N 3.16Å; E16-Q18 PolarHBondContact O-N 3.21Å; E16-Q18 VanDerWaalsContact O-N 3.08Å; E16-L19 HydrophobicContact CB-CD1 4.31Å; E16-L19 WeakPolarHBondContact O-CB 3.33Å; E16-L19 PolarHBondContact O-N 3.13Å; E16-K20 PolarHBondContact O-N 2.7Å
17	P	79	Confident	82	Confident	77 Å²	77	63.9 Å²	63.9	50%	0.5	33%	0.334	S	S	.	.	H	α-helix	trans	-65.5	-22.3	-169.1	23.9	-34.3	0	0	0	114.1	D15 K20 E21 F54	D15-P17 WeakPolarHBondContact O-CD 3.33Å; P17-K20 PolarHBondContact O-N 3.22Å; P17-E21 PolarHBondContact O-N 2.96Å; P17-F54 HydrophobicContact CB-CD2 4.28Å; P17-F54 HydrophobicContact CB-CE2 3.93Å
18	Q	82	Confident	82.3	Confident	145 Å²	145	62.9 Å²	62.9	68%	0.678	32%	0.316	S	S	*	.	H	α-helix	trans	-71.1	-33.4	175.2	-61.3	-176.6	21.5	0	0	112.2	E16 F22	E16-Q18 PolarHBondContact O-N 3.21Å; E16-Q18 VanDerWaalsContact O-N 3.08Å; Q18-F22 WeakPolarHBondContact O-CB 3.48Å; Q18-F22 PolarHBondContact O-N 3.05Å
19	L	83.3	Confident	82.6	Confident	55 Å²	55	66.6 Å²	66.6	29%	0.288	35%	0.347	S	S	.	.	H	α-helix	trans	-68.7	-41.8	173.2	-78.4	172	0	0	0	110.8	E14 E16 F22 A23	E14-L19 HydrophobicContact CB-CD1 4.02Å; E14-L19 HydrophobicContact CG-CD1 4.31Å; E16-L19 HydrophobicContact CB-CD1 4.31Å; E16-L19 WeakPolarHBondContact O-CB 3.33Å; E16-L19 PolarHBondContact O-N 3.13Å; L19-F22 PolarHBondContact O-N 3.05Å; L19-A23 WeakPolarHBondContact O-CB 2.77Å; L19-A23 PolarHBondContact O-N 3.48Å
20	K	81.3	Confident	82.8	Confident	31 Å²	31	66.9 Å²	66.9	14%	0.135	35%	0.349	C	S	.	.	H	α-helix	trans	-61.6	-44.1	175.7	-56	-169.2	-176.4	-174.3	0	111.9	L12 E14 E16 P17 A23 L24 L48 F54	L12-K20 WeakPolarHBondContact O-CE 3.36Å; E14-K20 WeakPolarHBondContact O-CE 3.48Å; E16-K20 PolarHBondContact O-N 2.7Å; P17-K20 PolarHBondContact O-N 3.22Å; K20-A23 PolarHBondContact O-N 3.37Å; K20-L24 VanDerWaalsContact O-CG 3.31Å; K20-L24 WeakPolarHBondContact O-CG 3.45Å; K20-L24 PolarHBondContact O-N 3.38Å; K20-L48 HydrophobicContact CD-CD1 4.18Å; K20-L48 HydrophobicContact CD-CD2 3.62Å; K20-F54 HydrophobicContact CB-CE2 4.05Å; K20-F54 HydrophobicContact CB-CZ 3.93Å
21	E	83.3	Confident	82.9	Confident	83 Å²	83	64.1 Å²	64.1	39%	0.388	33%	0.33	S	S	.	.	H	α-helix	trans	-61.9	-45.3	174.6	-179.8	163	-111.7	0	0	112.5	P17 A23 L24 H25 S56	P17-E21 PolarHBondContact O-N 2.96Å; E21-A23 VanDerWaalsContact C-N 3.34Å; E21-A23 PolarHBondContact O-N 2.99Å; E21-L24 PolarHBondContact O-N 3.01Å; E21-H25 PolarHBondContact O-CD2 3.11Å; E21-H25 PolarHBondContact O-N 2.9Å; E21-S56 WeakPolarHBondContact OE1-CB 3.48Å; E21-S56 PolarHBondContact OE1-OG 3.48Å
22	F	84.5	Confident	83	Confident	120 Å²	120	67.2 Å²	67.2	53%	0.526	35%	0.347	S	S	.	.	H	α-helix	trans	-63.5	-38.4	175.6	-177	-103.5	0	0	0	112.5	Q18 L19 K26	Q18-F22 WeakPolarHBondContact O-CB 3.48Å; Q18-F22 PolarHBondContact O-N 3.05Å; L19-F22 PolarHBondContact O-N 3.05Å; F22-K26 HydrophobicContact CE1-CD 4.18Å; F22-K26 WeakPolarHBondContact O-CB 3.25Å; F22-K26 PolarHBondContact O-N 3.2Å; F22-K26 VanDerWaalsContact O-N 3.15Å
23	A	84.1	Confident	83.3	Confident	0 Å²	0	72.8 Å²	72.8	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-62.2	-47.7	174.6	0	0	0	0	0	111.4	I8 L11 L12 L19 K20 E21 H25 K26 L27	I8-A23 HydrophobicContact CG2-CB 4.12Å; L11-A23 HydrophobicContact CB-CB 3.94Å; L12-A23 HydrophobicContact CD2-CB 3.73Å; L12-A23 HydrophobicContact CG-CB 4.41Å; L19-A23 WeakPolarHBondContact O-CB 2.77Å; L19-A23 PolarHBondContact O-N 3.48Å; K20-A23 PolarHBondContact O-N 3.37Å; E21-A23 VanDerWaalsContact C-N 3.34Å; E21-A23 PolarHBondContact O-N 2.99Å; A23-H25 PolarHBondContact O-N 3.16Å; A23-K26 PolarHBondContact O-N 3.06Å; A23-K26 VanDerWaalsContact O-N 3.13Å; A23-L27 WeakPolarHBondContact O-CB 3.4Å; A23-L27 VanDerWaalsContact O-CG 3.29Å; A23-L27 WeakPolarHBondContact O-CG 3.38Å; A23-L27 PolarHBondContact O-N 3.39Å
24	L	83.7	Confident	83.5	Confident	1 Å²	1	70 Å²	70	1%	0.005	36%	0.36	C	S	.	.	H	α-helix	trans	-61.6	-43.3	178.3	-72.3	171.3	0	0	0	113	K20 E21 K26 L27 N28 I45 F54 F59 A60 V63	K20-L24 VanDerWaalsContact O-CG 3.31Å; K20-L24 WeakPolarHBondContact O-CG 3.45Å; K20-L24 PolarHBondContact O-N 3.38Å; E21-L24 PolarHBondContact O-N 3.01Å; L24-K26 VanDerWaalsContact C-N 3.27Å; L24-K26 PolarHBondContact O-N 2.98Å; L24-L27 HydrophobicContact CD2-CD1 4.46Å; L24-L27 PolarHBondContact O-N 3.11Å; L24-N28 WeakPolarHBondContact O-CB 3.45Å; L24-N28 PolarHBondContact O-N 3.06Å; L24-I45 HydrophobicContact CD2-CG2 4.37Å; L24-F54 HydrophobicContact CD1-CE1 3.86Å; L24-F54 HydrophobicContact CD1-CZ 4.2Å; L24-F59 HydrophobicContact CB-CD1 4.14Å; L24-A60 HydrophobicContact CD1-CB 3.93Å; L24-A60 HydrophobicContact CD2-CB 4.25Å; L24-V63 HydrophobicContact CD2-CB 4.29Å; L24-V63 HydrophobicContact CD2-CG2 4.21Å
25	H	85.3	Confident	83.6	Confident	97 Å²	97	69.5 Å²	69.5	45%	0.449	35%	0.353	S	S	.	.	H	α-helix	trans	-57.8	-40.7	172.6	-88.4	-68.9	0	0	0	112.5	E21 A23 F59	E21-H25 PolarHBondContact O-CD2 3.11Å; E21-H25 PolarHBondContact O-N 2.9Å; A23-H25 PolarHBondContact O-N 3.16Å; H25-F59 AromaticContact CE1-CE2 3.45Å; H25-F59 VanDerWaalsContact CE1-CE2 3.45Å; H25-F59 WeakPolarHBondContact CE1-CE2 3.33Å; H25-F59 AromaticContact CE1-CZ 3.49Å; H25-F59 VanDerWaalsContact CE1-CZ 3.49Å; H25-F59 WeakPolarHBondContact CE1-CZ 3.45Å; H25-F59 AromaticContact ND1-CE1 3.83Å; H25-F59 AromaticContact ND1-CE2 3.83Å; H25-F59 AromaticContact ND1-CZ 3.34Å; H25-F59 VanDerWaalsContact ND1-CZ 3.34Å; H25-F59 WeakPolarHBondContact ND1-CZ 3.44Å
26	K	84.8	Confident	83.9	Confident	78 Å²	78	65 Å²	65	34%	0.339	34%	0.336	S	S	.	.	H	α-helix	trans	-75.8	-37.2	-178.1	-155	174.8	-177.2	-179.2	0	112.2	I8 F22 A23 L24 A29 V30	I8-K26 HydrophobicContact CD1-CD 4.12Å; I8-K26 HydrophobicContact CD1-CG 4.04Å; I8-K26 HydrophobicContact CG1-CD 4.27Å; I8-K26 HydrophobicContact CG2-CB 4.17Å; I8-K26 HydrophobicContact CG2-CD 4.37Å; F22-K26 HydrophobicContact CE1-CD 4.18Å; F22-K26 WeakPolarHBondContact O-CB 3.25Å; F22-K26 PolarHBondContact O-N 3.2Å; F22-K26 VanDerWaalsContact O-N 3.15Å; A23-K26 PolarHBondContact O-N 3.06Å; A23-K26 VanDerWaalsContact O-N 3.13Å; L24-K26 VanDerWaalsContact C-N 3.27Å; L24-K26 PolarHBondContact O-N 2.98Å; K26-A29 PolarHBondContact O-N 3.01Å; K26-V30 PolarHBondContact O-N 3.03Å
27	L	84.3	Confident	83.9	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-61	-47.6	172.8	-75.2	163.3	0	0	0	111.4	I8 L12 A23 L24 A29 V30 V31 I38 V63	I8-L27 HydrophobicContact CB-CD2 4.46Å; I8-L27 HydrophobicContact CG2-CD1 4.48Å; I8-L27 HydrophobicContact CG2-CD2 4.22Å; I8-L27 HydrophobicContact CG2-CG 3.88Å; L12-L27 HydrophobicContact CD1-CD1 4.12Å; L12-L27 HydrophobicContact CD2-CD1 4.37Å; A23-L27 WeakPolarHBondContact O-CB 3.4Å; A23-L27 VanDerWaalsContact O-CG 3.29Å; A23-L27 WeakPolarHBondContact O-CG 3.38Å; A23-L27 PolarHBondContact O-N 3.39Å; L24-L27 HydrophobicContact CD2-CD1 4.46Å; L24-L27 PolarHBondContact O-N 3.11Å; L27-A29 PolarHBondContact O-N 3.33Å; L27-A29 VanDerWaalsContact O-N 3.11Å; L27-V30 PolarHBondContact O-N 3.41Å; L27-V31 WeakPolarHBondContact O-CB 3.46Å; L27-V31 PolarHBondContact O-N 3.37Å; L27-I38 HydrophobicContact CD2-CD1 3.74Å; L27-I38 HydrophobicContact CD2-CG1 3.85Å; L27-I38 HydrophobicContact CD2-CG2 4.38Å; L27-V63 HydrophobicContact CB-CG1 3.97Å; L27-V63 HydrophobicContact CB-CG2 4.48Å
28	N	84.9	Confident	84.1	Confident	34 Å²	34	59.2 Å²	59.2	18%	0.182	30%	0.302	C	S	.	.	H	α-helix	trans	-56.7	-29.5	178.1	-170.5	13.8	0	0	0	113.2	L24 F59 V63 K66	L24-N28 WeakPolarHBondContact O-CB 3.45Å; L24-N28 PolarHBondContact O-N 3.06Å; N28-F59 HydrophobicContact CB-CE1 3.83Å; N28-F59 VanDerWaalsContact ND2-CE1 3.35Å; N28-F59 WeakPolarHBondContact ND2-CE1 3.41Å; N28-F59 WeakPolarHBondContact ND2-CZ 3.4Å; N28-V63 HydrophobicContact CB-CG2 3.91Å; N28-K66 PolarHBondContact OD1-NZ 2.86Å
29	A	85.4	Confident	84.2	Confident	81 Å²	81	53.8 Å²	53.8	67%	0.669	28%	0.28	S	S	*	.	H	α-helix	trans	-82.2	-22.5	177.7	0	0	0	0	0	114.5	K26 L27	K26-A29 PolarHBondContact O-N 3.01Å; L27-A29 PolarHBondContact O-N 3.33Å; L27-A29 VanDerWaalsContact O-N 3.11Å
30	V	86.8	Confident	84.3	Confident	20 Å²	20	59.2 Å²	59.2	12%	0.121	31%	0.305	C	S	.	.	H	α-helix	trans	-114.6	-1.6	-175.9	-53.2	0	0	0	0	114	I8 K26 L27 N32 D33 F34	I8-V30 HydrophobicContact CD1-CG2 4.13Å; K26-V30 PolarHBondContact O-N 3.03Å; L27-V30 PolarHBondContact O-N 3.41Å; V30-N32 PolarHBondContact O-N 2.82Å; V30-D33 PolarHBondContact O-N 3.5Å; V30-F34 HydrophobicContact CB-CD2 4.08Å; V30-F34 HydrophobicContact CG2-CD2 4.4Å; V30-F34 PolarHBondContact O-N 3.03Å
31	V	84.2	Confident	84.5	Confident	1 Å²	1	59 Å²	59	1%	0.006	31%	0.306	C	S	.	.	H	α-helix	trans	-57.4	-33.9	-175.3	65.3	0	0	0	0	113.3	L27 D33 W35 I38 K66 V67	L27-V31 WeakPolarHBondContact O-CB 3.46Å; L27-V31 PolarHBondContact O-N 3.37Å; V31-D33 VanDerWaalsContact C-N 3.29Å; V31-D33 PolarHBondContact O-N 3.15Å; V31-W35 WeakPolarHBondContact O-CA 3.29Å; V31-W35 VanDerWaalsContact O-CB 3.25Å; V31-W35 WeakPolarHBondContact O-CB 3.45Å; V31-W35 PolarHBondContact O-N 3.13Å; V31-I38 HydrophobicContact CB-CD1 4.32Å; V31-I38 HydrophobicContact CG2-CD1 4.28Å; V31-K66 HydrophobicContact CG1-CB 4.2Å; V31-K66 HydrophobicContact CG1-CD 3.86Å; V31-K66 HydrophobicContact CG2-CB 4.1Å; V31-V67 HydrophobicContact CG2-CG2 3.93Å
32	N	82.9	Confident	84.6	Confident	110 Å²	110	55.7 Å²	55.7	59%	0.588	29%	0.292	S	S	*	.	H	α-helix	trans	-66.9	-29.1	177.6	-67.8	-7.3	0	0	0	113.2	V30 H70	V30-N32 PolarHBondContact O-N 2.82Å; N32-H70 PolarHBondContact OD1-NE2 2.7Å
33	D	85.1	Confident	84.7	Confident	127 Å²	127	55.1 Å²	55.1	68%	0.679	29%	0.294	S	S	*	.	H	α-helix	trans	-91.4	-32.4	-178	-60.6	-30.6	0	0	0	112	V30 V31	V30-D33 PolarHBondContact O-N 3.5Å; V31-D33 VanDerWaalsContact C-N 3.29Å; V31-D33 PolarHBondContact O-N 3.15Å
34	F	85.8	Confident	84.7	Confident	38 Å²	38	58.4 Å²	58.4	17%	0.167	31%	0.309	C	S	.	.	H	α-helix	trans	-124.1	19.6	-170.2	-63.3	-85.7	0	0	0	114.7	I2 A5 V30 A36 E37 I38	I2-F34 WeakPolarHBondContact O-CZ 3.43Å; A5-F34 HydrophobicContact CB-CB 3.86Å; A5-F34 HydrophobicContact CB-CG 4.25Å; V30-F34 HydrophobicContact CB-CD2 4.08Å; V30-F34 HydrophobicContact CG2-CD2 4.4Å; V30-F34 PolarHBondContact O-N 3.03Å; F34-A36 PolarHBondContact O-N 2.97Å; F34-E37 PolarHBondContact O-N 2.86Å; F34-E37 VanDerWaalsContact O-N 3.13Å; F34-I38 HydrophobicContact CB-CD1 4.47Å; F34-I38 WeakPolarHBondContact O-CG1 3.48Å; F34-I38 PolarHBondContact O-N 3.05Å
35	W	84.6	Confident	84.7	Confident	103 Å²	103	58.5 Å²	58.5	39%	0.39	31%	0.309	S	S	.	.	H	α-helix	trans	-49.7	-36	-179.7	59.8	-90.6	0	0	0	113.8	V31 I38 S39 H70	V31-W35 WeakPolarHBondContact O-CA 3.29Å; V31-W35 VanDerWaalsContact O-CB 3.25Å; V31-W35 WeakPolarHBondContact O-CB 3.45Å; V31-W35 PolarHBondContact O-N 3.13Å; W35-I38 PolarHBondContact O-N 3.32Å; W35-S39 WeakPolarHBondContact O-CB 3.34Å; W35-S39 PolarHBondContact O-N 3.33Å; W35-H70 HydrophobicContact CB-CB 3.79Å; W35-H70 HydrophobicContact CD2-CB 3.89Å; W35-H70 HydrophobicContact CE3-CB 4.19Å; W35-H70 HydrophobicContact CG-CB 3.71Å
36	A	83.6	Confident	84.7	Confident	51 Å²	51	56.7 Å²	56.7	42%	0.421	30%	0.301	S	S	.	.	H	α-helix	trans	-61.3	-50.6	179	0	0	0	0	0	112.3	F34 I38 S39	F34-A36 PolarHBondContact O-N 2.97Å; A36-I38 VanDerWaalsContact C-N 3.27Å; A36-I38 PolarHBondContact O-N 3.42Å; A36-S39 PolarHBondContact O-N 3.45Å; A36-S39 PolarHBondContact O-OG 3.34Å
37	E	83.3	Confident	84.9	Confident	67 Å²	67	57.8 Å²	57.8	31%	0.313	31%	0.314	S	S	.	.	H	α-helix	trans	-64.6	-32.1	176.7	-64.8	-173	179.2	0	0	112.3	S4 A5 I9 F34	S4-E37 WeakPolarHBondContact CA-OE2 3.06Å; S4-E37 WeakPolarHBondContact CB-OE1 3.41Å; S4-E37 WeakPolarHBondContact CB-OE2 3.44Å; S4-E37 VanDerWaalsContact OG-CD 3.26Å; S4-E37 PolarHBondContact OG-OE1 3.35Å; S4-E37 PolarHBondContact OG-OE2 3.17Å; A5-E37 HydrophobicContact CB-CB 4.47Å; A5-E37 PolarHBondContact N-OE2 3.28Å; I9-E37 WeakPolarHBondContact CD1-O 3.31Å; F34-E37 PolarHBondContact O-N 2.86Å; F34-E37 VanDerWaalsContact O-N 3.13Å
38	I	83.5	Confident	84.9	Confident	1 Å²	1	58.3 Å²	58.3	1%	0.005	32%	0.317	C	S	.	.	H	α-helix	trans	-75	-31.5	178.5	-55.2	164.5	0	0	0	110.6	A5 I9 L27 V31 F34 W35 A36 E40 S41 V42 I45 V67	A5-I38 HydrophobicContact CB-CG1 4.12Å; I9-I38 HydrophobicContact CD1-CG1 4.47Å; L27-I38 HydrophobicContact CD2-CD1 3.74Å; L27-I38 HydrophobicContact CD2-CG1 3.85Å; L27-I38 HydrophobicContact CD2-CG2 4.38Å; V31-I38 HydrophobicContact CB-CD1 4.32Å; V31-I38 HydrophobicContact CG2-CD1 4.28Å; F34-I38 HydrophobicContact CB-CD1 4.47Å; F34-I38 WeakPolarHBondContact O-CG1 3.48Å; F34-I38 PolarHBondContact O-N 3.05Å; W35-I38 PolarHBondContact O-N 3.32Å; A36-I38 VanDerWaalsContact C-N 3.27Å; A36-I38 PolarHBondContact O-N 3.42Å; I38-E40 VanDerWaalsContact C-N 3.33Å; I38-E40 PolarHBondContact O-N 3.01Å; I38-S41 CarbonylContact O-C 3.43Å; I38-S41 PolarHBondContact O-N 3.08Å; I38-V42 PolarHBondContact O-N 3.41Å; I38-I45 HydrophobicContact CG2-CD1 3.9Å; I38-V67 HydrophobicContact CB-CG2 4.14Å; I38-V67 HydrophobicContact CG2-CG2 3.5Å; I38-V67 VanDerWaalsContact CG2-CG2 3.5Å
39	S	84.4	Confident	84.9	Confident	31 Å²	31	58.6 Å²	58.6	22%	0.217	32%	0.316	C	S	.	.	H	α-helix	trans	-65	-33.2	179.8	74.4	0	0	0	0	113.3	W35 A36 S41 V42	W35-S39 WeakPolarHBondContact O-CB 3.34Å; W35-S39 PolarHBondContact O-N 3.33Å; A36-S39 PolarHBondContact O-N 3.45Å; A36-S39 PolarHBondContact O-OG 3.34Å; S39-S41 PolarHBondContact O-N 3.45Å; S39-S41 VanDerWaalsContact O-N 3.11Å; S39-V42 PolarHBondContact O-N 3.22Å
40	E	85.1	Confident	84.9	Confident	170 Å²	170	61.2 Å²	61.2	79%	0.794	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-2.4	173	-62.8	-172.4	171.6	0	0	113.7	I38	I38-E40 VanDerWaalsContact C-N 3.33Å; I38-E40 PolarHBondContact O-N 3.01Å
41	S	85.3	Confident	84.9	Confident	25 Å²	25	64 Å²	64	18%	0.175	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-137.6	22	179.2	-70.6	0	0	0	0	112.9	I38 S39 D43 K44	I38-S41 CarbonylContact O-C 3.43Å; I38-S41 PolarHBondContact O-N 3.08Å; S39-S41 PolarHBondContact O-N 3.45Å; S39-S41 VanDerWaalsContact O-N 3.11Å; S41-D43 VanDerWaalsContact C-N 3.27Å; S41-D43 PolarHBondContact O-N 3.07Å; S41-K44 WeakPolarHBondContact O-CB 3.3Å; S41-K44 PolarHBondContact O-N 3.06Å
42	V	85.3	Confident	84.5	Confident	14 Å²	14	71.7 Å²	71.7	9%	0.085	36%	0.364	C	S	.	.	H	α-helix	trans	-62	-36.1	-178.5	71.7	0	0	0	0	111.9	I38 S39 K44 I45 E46 V67 F68	I38-V42 PolarHBondContact O-N 3.41Å; S39-V42 PolarHBondContact O-N 3.22Å; V42-K44 PolarHBondContact O-N 3.35Å; V42-K44 VanDerWaalsContact O-N 3.07Å; V42-I45 WeakPolarHBondContact O-CA 3.42Å; V42-I45 WeakPolarHBondContact O-CB 3.45Å; V42-I45 PolarHBondContact O-N 3.08Å; V42-E46 PolarHBondContact O-N 2.8Å; V42-E46 VanDerWaalsContact O-N 3.08Å; V42-V67 HydrophobicContact CB-CG1 4.48Å; V42-V67 HydrophobicContact CG2-CG1 4.22Å; V42-F68 HydrophobicContact CB-CZ 4.45Å; V42-F68 HydrophobicContact CG1-CE1 4.39Å; V42-F68 HydrophobicContact CG1-CZ 4.09Å; V42-F68 HydrophobicContact CG2-CD2 4.36Å; V42-F68 HydrophobicContact CG2-CE1 4.23Å; V42-F68 HydrophobicContact CG2-CE2 3.59Å; V42-F68 HydrophobicContact CG2-CZ 3.52Å
43	D	85.9	Confident	84.3	Confident	108 Å²	108	69.5 Å²	69.5	58%	0.578	37%	0.368	S	S	*	.	H	α-helix	trans	-47.2	-39.1	174.8	-48.8	21.4	0	0	0	112.4	S41 I45 E46 V47	S41-D43 VanDerWaalsContact C-N 3.27Å; S41-D43 PolarHBondContact O-N 3.07Å; D43-I45 VanDerWaalsContact C-N 3.3Å; D43-I45 PolarHBondContact O-N 3.36Å; D43-E46 PolarHBondContact O-N 3.2Å; D43-V47 WeakPolarHBondContact O-CG2 3.38Å; D43-V47 PolarHBondContact O-N 3.34Å
44	K	84.1	Confident	84	Confident	70 Å²	70	64.1 Å²	64.1	30%	0.304	34%	0.338	S	S	.	.	H	α-helix	trans	-68	-32.2	179	-58.4	-171.2	-177.2	-171.7	0	112.1	D13 S41 V42 L48	D13-K44 WeakPolarHBondContact OD1-CE 3.37Å; D13-K44 IonicContact OD1-NZ 3.48Å; D13-K44 PolarHBondContact OD1-NZ 2.69Å; D13-K44 IonicContact OD2-NZ 3.37Å; D13-K44 PolarHBondContact OD2-NZ 3.37Å; S41-K44 WeakPolarHBondContact O-CB 3.3Å; S41-K44 PolarHBondContact O-N 3.06Å; V42-K44 PolarHBondContact O-N 3.35Å; V42-K44 VanDerWaalsContact O-N 3.07Å; K44-L48 VanDerWaalsContact O-CG 3.3Å; K44-L48 WeakPolarHBondContact O-CG 3.49Å; K44-L48 PolarHBondContact O-N 3Å
45	I	84.4	Confident	83.6	Confident	2 Å²	2	73.6 Å²	73.6	1%	0.01	37%	0.373	C	S	.	.	H	α-helix	trans	-77.6	-34.3	178.3	-49.2	173.6	0	0	0	109.7	L12 L24 I38 V42 D43 L48 Y49 A60 V63 A64	L12-I45 HydrophobicContact CD1-CG1 4.28Å; L24-I45 HydrophobicContact CD2-CG2 4.37Å; I38-I45 HydrophobicContact CG2-CD1 3.9Å; V42-I45 WeakPolarHBondContact O-CA 3.42Å; V42-I45 WeakPolarHBondContact O-CB 3.45Å; V42-I45 PolarHBondContact O-N 3.08Å; D43-I45 VanDerWaalsContact C-N 3.3Å; D43-I45 PolarHBondContact O-N 3.36Å; I45-L48 PolarHBondContact O-N 3.22Å; I45-Y49 PolarHBondContact O-N 3.41Å; I45-Y49 VanDerWaalsContact O-N 3.13Å; I45-A60 HydrophobicContact CG2-CB 4.07Å; I45-A60 WeakPolarHBondContact CG2-O 3.32Å; I45-V63 HydrophobicContact CD1-CG1 4.03Å; I45-A64 HydrophobicContact CG2-CB 3.92Å
46	E	85.9	Confident	83.4	Confident	59 Å²	59	69.4 Å²	69.4	28%	0.276	36%	0.359	S	S	.	.	H	α-helix	trans	-62.6	-46.7	172.2	-54.4	-165.9	136.1	0	0	111.4	V42 D43 L48 Y49 E50 F68 Y80	V42-E46 PolarHBondContact O-N 2.8Å; V42-E46 VanDerWaalsContact O-N 3.08Å; D43-E46 PolarHBondContact O-N 3.2Å; E46-L48 PolarHBondContact O-N 2.76Å; E46-Y49 WeakPolarHBondContact O-CA 3.4Å; E46-Y49 WeakPolarHBondContact O-CB 3.4Å; E46-Y49 PolarHBondContact O-N 3.25Å; E46-E50 PolarHBondContact O-N 2.96Å; E46-F68 WeakPolarHBondContact OE1-CZ 3.44Å; E46-Y80 VanDerWaalsContact CG-OH 3.32Å; E46-Y80 WeakPolarHBondContact CG-OH 3.35Å; E46-Y80 PolarHBondContact OE1-OH 3.27Å
47	V	87.4	Confident	83.4	Confident	102 Å²	102	71.5 Å²	71.5	62%	0.618	36%	0.356	S	S	*	.	H	α-helix	trans	-58.4	-33.1	174.9	171.6	0	0	0	0	112.4	D43 Y49 D51	D43-V47 WeakPolarHBondContact O-CG2 3.38Å; D43-V47 PolarHBondContact O-N 3.34Å; V47-Y49 VanDerWaalsContact C-N 3.32Å; V47-D51 PolarHBondContact O-N 3.22Å
48	L	84.1	Confident	83.3	Confident	10 Å²	10	71.9 Å²	71.9	5%	0.052	36%	0.358	C	S	.	.	H	α-helix	trans	-82	-6.2	175.5	-64.8	175.3	0	0	0	114.4	L12 K20 K44 I45 E46 F54 A60	L12-L48 HydrophobicContact CB-CD1 4.44Å; L12-L48 HydrophobicContact CD2-CD1 3.96Å; K20-L48 HydrophobicContact CD-CD1 4.18Å; K20-L48 HydrophobicContact CD-CD2 3.62Å; K44-L48 VanDerWaalsContact O-CG 3.3Å; K44-L48 WeakPolarHBondContact O-CG 3.49Å; K44-L48 PolarHBondContact O-N 3Å; I45-L48 PolarHBondContact O-N 3.22Å; E46-L48 PolarHBondContact O-N 2.76Å; L48-F54 WeakPolarHBondContact O-CD1 3.15Å; L48-A60 HydrophobicContact CB-CB 4.31Å
49	Y	85.6	Confident	83.4	Confident	41 Å²	41	73.5 Å²	73.5	16%	0.161	37%	0.365	C	S	.	.	H	α-helix	trans	-94.5	-39.3	170.8	169.5	-103.4	0	0	0	111.7	I45 E46 V47 D51 A61 Y80 G83	I45-Y49 PolarHBondContact O-N 3.41Å; I45-Y49 VanDerWaalsContact O-N 3.13Å; E46-Y49 WeakPolarHBondContact O-CA 3.4Å; E46-Y49 WeakPolarHBondContact O-CB 3.4Å; E46-Y49 PolarHBondContact O-N 3.25Å; V47-Y49 VanDerWaalsContact C-N 3.32Å; Y49-D51 VanDerWaalsContact C-N 3.32Å; Y49-D51 PolarHBondContact O-N 3.48Å; Y49-A61 HydrophobicContact CD2-CB 3.58Å; Y49-A61 HydrophobicContact CE2-CB 3.75Å; Y49-Y80 AromaticContact CD1-CD1 3.97Å; Y49-Y80 HydrophobicContact CD1-CD1 3.97Å; Y49-Y80 AromaticContact CD1-CE1 3.6Å; Y49-Y80 HydrophobicContact CD1-CE1 3.6Å; Y49-Y80 HydrophobicContact CE1-CD1 4.1Å; Y49-Y80 AromaticContact CE1-CE1 3.93Å; Y49-Y80 HydrophobicContact CE1-CE1 3.93Å; Y49-Y80 HydrophobicContact CG-CD1 4.23Å; Y49-Y80 HydrophobicContact CG-CE1 4.15Å; Y49-G83 WeakPolarHBondContact OH-CA 3.34Å
50	E	85.9	Confident	83.4	Confident	135 Å²	135	72 Å²	72	63%	0.631	36%	0.355	S	S	*	.	H	α-helix	trans	-70.7	-21.6	177.2	-66	-63.3	133.6	0	0	113.5	E46 E52	E46-E50 PolarHBondContact O-N 2.96Å; E50-E52 PolarHBondContact O-N 3.03Å; E50-E52 VanDerWaalsContact O-N 3.09Å
51	D	85.9	Confident	83.5	Confident	80 Å²	80	64 Å²	64	43%	0.428	32%	0.317	S	S	.	.			trans	-71.8	99.2	173.7	-178.3	12.5	0	0	0	112	V47 Y49 G53 F54	V47-D51 PolarHBondContact O-N 3.22Å; Y49-D51 VanDerWaalsContact C-N 3.32Å; Y49-D51 PolarHBondContact O-N 3.48Å; D51-G53 PolarHBondContact O-N 3.19Å; D51-G53 VanDerWaalsContact O-N 3.15Å; D51-G53 WeakPolarHBondContact OD1-CA 3.49Å; D51-G53 PolarHBondContact OD1-N 3.27Å; D51-F54 HydrophobicContact CB-CB 4.18Å; D51-F54 WeakPolarHBondContact O-CB 3.45Å; D51-F54 PolarHBondContact O-N 3.36Å
52	E	76.6	Confident	83.5	Confident	162 Å²	162	63.5 Å²	63.5	76%	0.757	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-18.3	173.6	-62.1	-146.1	113	0	0	114.3	E50 F54 R57	E50-E52 PolarHBondContact O-N 3.03Å; E50-E52 VanDerWaalsContact O-N 3.09Å; E52-F54 VanDerWaalsContact C-N 3.3Å; E52-R57 IonicContact OE1-NH1 2.77Å; E52-R57 PolarHBondContact OE1-NH1 3.15Å
53	G	78.4	Confident	83.6	Confident	64 Å²	64	62.9 Å²	62.9	66%	0.66	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-18.9	172.6	0	0	0	0	0	113.8	D51 R55	D51-G53 PolarHBondContact O-N 3.19Å; D51-G53 VanDerWaalsContact O-N 3.15Å; D51-G53 WeakPolarHBondContact OD1-CA 3.49Å; D51-G53 PolarHBondContact OD1-N 3.27Å; G53-R55 PolarHBondContact O-N 3.03Å
54	F	79.2	Confident	83.7	Confident	13 Å²	13	57.7 Å²	57.7	6%	0.057	28%	0.281	C	S	.	.			trans	-85.2	110.5	-173.3	-169.9	-116.1	0	0	0	112.5	P17 K20 L24 L48 D51 E52 S56 R57	P17-F54 HydrophobicContact CB-CD2 4.28Å; P17-F54 HydrophobicContact CB-CE2 3.93Å; K20-F54 HydrophobicContact CB-CE2 4.05Å; K20-F54 HydrophobicContact CB-CZ 3.93Å; L24-F54 HydrophobicContact CD1-CE1 3.86Å; L24-F54 HydrophobicContact CD1-CZ 4.2Å; L48-F54 WeakPolarHBondContact O-CD1 3.15Å; D51-F54 HydrophobicContact CB-CB 4.18Å; D51-F54 WeakPolarHBondContact O-CB 3.45Å; D51-F54 PolarHBondContact O-N 3.36Å; E52-F54 VanDerWaalsContact C-N 3.3Å; F54-S56 PolarHBondContact O-N 3.2Å; F54-S56 VanDerWaalsContact O-N 3.1Å; F54-R57 HydrophobicContact CD1-CB 4.42Å; F54-R57 WeakPolarHBondContact O-CB 3.46Å; F54-R57 PolarHBondContact O-N 2.87Å
55	R	77.4	Confident	83.9	Confident	238 Å²	238	54.4 Å²	54.4	90%	0.898	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-33.9	-176.9	-67.1	-177	179	179	-0.1	113.8	G53	G53-R55 PolarHBondContact O-N 3.03Å
56	S	80.1	Confident	84.1	Confident	14 Å²	14	56.4 Å²	56.4	10%	0.098	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102	20.4	-170.3	-33.3	0	0	0	0	112.2	E21 F54 Q58 F59 A60	E21-S56 WeakPolarHBondContact OE1-CB 3.48Å; E21-S56 PolarHBondContact OE1-OG 3.48Å; F54-S56 PolarHBondContact O-N 3.2Å; F54-S56 VanDerWaalsContact O-N 3.1Å; S56-Q58 PolarHBondContact O-N 3.41Å; S56-Q58 VanDerWaalsContact O-N 3.14Å; S56-F59 WeakPolarHBondContact O-CA 3.33Å; S56-F59 WeakPolarHBondContact O-CB 3.47Å; S56-F59 PolarHBondContact O-N 2.92Å; S56-A60 PolarHBondContact O-N 3.38Å
57	R	83.1	Confident	84.2	Confident	96 Å²	96	53.7 Å²	53.7	36%	0.362	26%	0.262	S	S	.	.	H	α-helix	trans	-53.2	-33.2	179.7	74.9	178	-161.9	178	4	113.9	E52 F54 F59 A60 A61	E52-R57 IonicContact OE1-NH1 2.77Å; E52-R57 PolarHBondContact OE1-NH1 3.15Å; F54-R57 HydrophobicContact CD1-CB 4.42Å; F54-R57 WeakPolarHBondContact O-CB 3.46Å; F54-R57 PolarHBondContact O-N 2.87Å; R57-F59 VanDerWaalsContact C-N 3.25Å; R57-F59 PolarHBondContact O-N 3.09Å; R57-A60 WeakPolarHBondContact O-CB 3.4Å; R57-A60 PolarHBondContact O-N 3.41Å; R57-A61 PolarHBondContact O-N 3.26Å
58	Q	82.4	Confident	84.3	Confident	75 Å²	75	49.6 Å²	49.6	35%	0.35	24%	0.236	S	C	.	.	H	α-helix	trans	-61.2	-35	174.9	-67.1	173.7	-40	0	0	112	S56 L62 A84 L87	S56-Q58 PolarHBondContact O-N 3.41Å; S56-Q58 VanDerWaalsContact O-N 3.14Å; Q58-L62 PolarHBondContact O-N 2.85Å; Q58-L62 VanDerWaalsContact O-N 3.1Å; Q58-A84 WeakPolarHBondContact O-CB 3.49Å; Q58-L87 HydrophobicContact CB-CD1 3.63Å; Q58-L87 HydrophobicContact CB-CG 4.18Å
59	F	84.1	Confident	84.5	Confident	35 Å²	35	51.2 Å²	51.2	15%	0.154	24%	0.242	C	C	.	.	H	α-helix	trans	-78.2	-34.3	178.5	-136.5	-77.2	0	0	0	111.5	L24 H25 N28 S56 R57 L62 V63 L87	L24-F59 HydrophobicContact CB-CD1 4.14Å; H25-F59 AromaticContact CE1-CE2 3.45Å; H25-F59 VanDerWaalsContact CE1-CE2 3.45Å; H25-F59 WeakPolarHBondContact CE1-CE2 3.33Å; H25-F59 AromaticContact CE1-CZ 3.49Å; H25-F59 VanDerWaalsContact CE1-CZ 3.49Å; H25-F59 WeakPolarHBondContact CE1-CZ 3.45Å; H25-F59 AromaticContact ND1-CE1 3.83Å; H25-F59 AromaticContact ND1-CE2 3.83Å; H25-F59 AromaticContact ND1-CZ 3.34Å; H25-F59 VanDerWaalsContact ND1-CZ 3.34Å; H25-F59 WeakPolarHBondContact ND1-CZ 3.44Å; N28-F59 HydrophobicContact CB-CE1 3.83Å; N28-F59 VanDerWaalsContact ND2-CE1 3.35Å; N28-F59 WeakPolarHBondContact ND2-CE1 3.41Å; N28-F59 WeakPolarHBondContact ND2-CZ 3.4Å; S56-F59 WeakPolarHBondContact O-CA 3.33Å; S56-F59 WeakPolarHBondContact O-CB 3.47Å; S56-F59 PolarHBondContact O-N 2.92Å; R57-F59 VanDerWaalsContact C-N 3.25Å; R57-F59 PolarHBondContact O-N 3.09Å; F59-L62 PolarHBondContact O-N 3.47Å; F59-V63 HydrophobicContact CD1-CG2 4.4Å; F59-V63 WeakPolarHBondContact O-CG2 3.41Å; F59-V63 PolarHBondContact O-N 3.14Å; F59-V63 VanDerWaalsContact O-N 3.09Å; F59-L87 HydrophobicContact CB-CD1 4.14Å; F59-L87 HydrophobicContact CD2-CD1 3.54Å; F59-L87 HydrophobicContact CE2-CD1 4.29Å; F59-L87 HydrophobicContact CG-CD1 4.15Å
60	A	85.3	Confident	84.6	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-60	-48.4	169.2	0	0	0	0	0	110.8	L24 I45 L48 S56 R57 L62 V63 A64	L24-A60 HydrophobicContact CD1-CB 3.93Å; L24-A60 HydrophobicContact CD2-CB 4.25Å; I45-A60 HydrophobicContact CG2-CB 4.07Å; I45-A60 WeakPolarHBondContact CG2-O 3.32Å; L48-A60 HydrophobicContact CB-CB 4.31Å; S56-A60 PolarHBondContact O-N 3.38Å; R57-A60 WeakPolarHBondContact O-CB 3.4Å; R57-A60 PolarHBondContact O-N 3.41Å; A60-L62 VanDerWaalsContact C-N 3.34Å; A60-L62 PolarHBondContact O-N 3.24Å; A60-V63 PolarHBondContact O-N 2.58Å; A60-V63 VanDerWaalsContact O-N 3.15Å; A60-A64 WeakPolarHBondContact O-CB 3.47Å; A60-A64 PolarHBondContact O-N 3.23Å
61	A	86.3	Confident	84.7	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-57.6	-42.9	176	0	0	0	0	0	112.7	Y49 R57 V63 A64 S65 Y80 A84	Y49-A61 HydrophobicContact CD2-CB 3.58Å; Y49-A61 HydrophobicContact CE2-CB 3.75Å; R57-A61 PolarHBondContact O-N 3.26Å; A61-V63 PolarHBondContact O-N 2.62Å; A61-A64 PolarHBondContact O-N 3.1Å; A61-S65 VanDerWaalsContact O-CB 3.24Å; A61-S65 WeakPolarHBondContact O-CB 3.44Å; A61-S65 PolarHBondContact O-N 3.4Å; A61-Y80 VanDerWaalsContact CB-O 3.31Å; A61-Y80 WeakPolarHBondContact CB-O 3.32Å; A61-A84 HydrophobicContact CB-CB 4.17Å
62	L	86.8	Confident	84.7	Confident	16 Å²	16	47.9 Å²	47.9	8%	0.084	24%	0.238	C	C	.	.	H	α-helix	trans	-64.2	-37.8	177	-174.2	66	0	0	0	112.7	Q58 F59 A60 K66 A84 L87 Y96	Q58-L62 PolarHBondContact O-N 2.85Å; Q58-L62 VanDerWaalsContact O-N 3.1Å; F59-L62 PolarHBondContact O-N 3.47Å; A60-L62 VanDerWaalsContact C-N 3.34Å; A60-L62 PolarHBondContact O-N 3.24Å; L62-K66 WeakPolarHBondContact O-CG 3.48Å; L62-K66 PolarHBondContact O-N 3.09Å; L62-A84 HydrophobicContact CB-CB 4.11Å; L62-L87 HydrophobicContact CD2-CB 4.39Å; L62-Y96 HydrophobicContact CD1-CE1 4.3Å
63	V	86.9	Confident	85.4	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-71.4	-47.7	176.4	175.6	0	0	0	0	110.7	L24 L27 N28 I45 F59 A60 A61 S65 K66 V67	L24-V63 HydrophobicContact CD2-CB 4.29Å; L24-V63 HydrophobicContact CD2-CG2 4.21Å; L27-V63 HydrophobicContact CB-CG1 3.97Å; L27-V63 HydrophobicContact CB-CG2 4.48Å; N28-V63 HydrophobicContact CB-CG2 3.91Å; I45-V63 HydrophobicContact CD1-CG1 4.03Å; F59-V63 HydrophobicContact CD1-CG2 4.4Å; F59-V63 WeakPolarHBondContact O-CG2 3.41Å; F59-V63 PolarHBondContact O-N 3.14Å; F59-V63 VanDerWaalsContact O-N 3.09Å; A60-V63 PolarHBondContact O-N 2.58Å; A60-V63 VanDerWaalsContact O-N 3.15Å; A61-V63 PolarHBondContact O-N 2.62Å; V63-S65 VanDerWaalsContact C-N 3.33Å; V63-S65 PolarHBondContact O-N 3.13Å; V63-K66 PolarHBondContact O-N 2.92Å; V63-V67 WeakPolarHBondContact O-CG2 3.35Å; V63-V67 PolarHBondContact O-N 3.15Å
64	A	87.9	Confident	85.8	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-55.5	-48.5	175.7	0	0	0	0	0	111.2	I45 A60 A61 K66 V67 F68 Y80	I45-A64 HydrophobicContact CG2-CB 3.92Å; A60-A64 WeakPolarHBondContact O-CB 3.47Å; A60-A64 PolarHBondContact O-N 3.23Å; A61-A64 PolarHBondContact O-N 3.1Å; A64-K66 VanDerWaalsContact C-N 3.31Å; A64-K66 PolarHBondContact O-N 2.84Å; A64-V67 WeakPolarHBondContact O-CB 3.38Å; A64-V67 PolarHBondContact O-N 3.48Å; A64-F68 HydrophobicContact CB-CD2 4.41Å; A64-F68 HydrophobicContact CB-CE2 4.31Å; A64-F68 WeakPolarHBondContact O-CD2 3.48Å; A64-F68 PolarHBondContact O-N 2.91Å; A64-Y80 HydrophobicContact CB-CD1 4.37Å; A64-Y80 HydrophobicContact CB-CD2 4.26Å; A64-Y80 HydrophobicContact CB-CG 4.08Å
65	S	89.3	Confident	86.1	Confident	0 Å²	0	46 Å²	46	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-57.1	-41	178.2	-176.7	0	0	0	0	112.9	A61 V63 Y69 S77 Y96	A61-S65 VanDerWaalsContact O-CB 3.24Å; A61-S65 WeakPolarHBondContact O-CB 3.44Å; A61-S65 PolarHBondContact O-N 3.4Å; V63-S65 VanDerWaalsContact C-N 3.33Å; V63-S65 PolarHBondContact O-N 3.13Å; S65-Y69 WeakPolarHBondContact O-CB 3.15Å; S65-Y69 PolarHBondContact O-N 2.93Å; S65-S77 WeakPolarHBondContact CB-O 3.47Å; S65-S77 PolarHBondContact O-OG 2.99Å; S65-S77 PolarHBondContact OG-O 3.37Å; S65-S77 PolarHBondContact OG-OG 3.09Å; S65-S77 VanDerWaalsContact OG-OG 3.13Å; S65-Y96 WeakPolarHBondContact CB-OH 3.3Å; S65-Y96 PolarHBondContact OG-OH 2.8Å
66	K	87.4	Confident	86.4	Confident	45 Å²	45	39 Å²	39	20%	0.196	19%	0.192	C	C	.	.	H	α-helix	trans	-68.5	-32.7	174.1	-75.3	-174.8	178.7	-174.9	0	114	N28 V31 L62 V63 A64 H70 Y96	N28-K66 PolarHBondContact OD1-NZ 2.86Å; V31-K66 HydrophobicContact CG1-CB 4.2Å; V31-K66 HydrophobicContact CG1-CD 3.86Å; V31-K66 HydrophobicContact CG2-CB 4.1Å; L62-K66 WeakPolarHBondContact O-CG 3.48Å; L62-K66 PolarHBondContact O-N 3.09Å; V63-K66 PolarHBondContact O-N 2.92Å; A64-K66 VanDerWaalsContact C-N 3.31Å; A64-K66 PolarHBondContact O-N 2.84Å; K66-H70 PolarHBondContact O-CD2 3.27Å; K66-H70 VanDerWaalsContact O-CD2 3.22Å; K66-H70 PolarHBondContact O-N 3Å; K66-Y96 HydrophobicContact CB-CE2 4.37Å; K66-Y96 HydrophobicContact CG-CD1 4.34Å; K66-Y96 HydrophobicContact CG-CD2 3.96Å; K66-Y96 HydrophobicContact CG-CE1 4.03Å; K66-Y96 HydrophobicContact CG-CE2 3.59Å; K66-Y96 HydrophobicContact CG-CG 4.31Å
67	V	89	Confident	86.8	Confident	1 Å²	1	38.3 Å²	38.3	1%	0.006	19%	0.187	C	C	.	.	H	α-helix	trans	-67.7	-49.8	174.2	174.7	0	0	0	0	109.8	V31 I38 V42 V63 A64 Y69 H70 L71	V31-V67 HydrophobicContact CG2-CG2 3.93Å; I38-V67 HydrophobicContact CB-CG2 4.14Å; I38-V67 HydrophobicContact CG2-CG2 3.5Å; I38-V67 VanDerWaalsContact CG2-CG2 3.5Å; V42-V67 HydrophobicContact CB-CG1 4.48Å; V42-V67 HydrophobicContact CG2-CG1 4.22Å; V63-V67 WeakPolarHBondContact O-CG2 3.35Å; V63-V67 PolarHBondContact O-N 3.15Å; A64-V67 WeakPolarHBondContact O-CB 3.38Å; A64-V67 PolarHBondContact O-N 3.48Å; V67-Y69 VanDerWaalsContact C-N 3.29Å; V67-Y69 PolarHBondContact O-N 3.11Å; V67-H70 PolarHBondContact O-N 3.08Å; V67-L71 WeakPolarHBondContact O-CB 3.35Å; V67-L71 PolarHBondContact O-N 3.13Å
68	F	88.4	Confident	86.9	Confident	16 Å²	16	33.8 Å²	33.8	7%	0.07	17%	0.17	C	C	.	.	H	α-helix	trans	-62.6	-33.1	176.6	-72.2	-62.6	0	0	0	113.1	V42 E46 A64 L71 G72 A73 E76 Y80	V42-F68 HydrophobicContact CB-CZ 4.45Å; V42-F68 HydrophobicContact CG1-CE1 4.39Å; V42-F68 HydrophobicContact CG1-CZ 4.09Å; V42-F68 HydrophobicContact CG2-CD2 4.36Å; V42-F68 HydrophobicContact CG2-CE1 4.23Å; V42-F68 HydrophobicContact CG2-CE2 3.59Å; V42-F68 HydrophobicContact CG2-CZ 3.52Å; E46-F68 WeakPolarHBondContact OE1-CZ 3.44Å; A64-F68 HydrophobicContact CB-CD2 4.41Å; A64-F68 HydrophobicContact CB-CE2 4.31Å; A64-F68 WeakPolarHBondContact O-CD2 3.48Å; A64-F68 PolarHBondContact O-N 2.91Å; F68-L71 HydrophobicContact CD1-CD2 4.23Å; F68-L71 CarbonylContact O-C 3.49Å; F68-L71 WeakPolarHBondContact O-CB 3.19Å; F68-L71 PolarHBondContact O-N 2.88Å; F68-G72 PolarHBondContact O-N 2.97Å; F68-G72 VanDerWaalsContact O-N 3.08Å; F68-A73 HydrophobicContact CB-CB 4.08Å; F68-A73 HydrophobicContact CD1-CB 3.8Å; F68-A73 HydrophobicContact CG-CB 4.39Å; F68-A73 PolarHBondContact O-N 2.66Å; F68-E76 HydrophobicContact CB-CB 4.47Å; F68-E76 HydrophobicContact CD1-CB 4.11Å; F68-E76 HydrophobicContact CD2-CB 4.3Å; F68-E76 HydrophobicContact CE1-CB 4.41Å; F68-E76 HydrophobicContact CG-CB 4.05Å; F68-Y80 AromaticContact CD2-CD2 3.62Å; F68-Y80 HydrophobicContact CD2-CD2 3.62Å; F68-Y80 AromaticContact CD2-CE2 3.83Å; F68-Y80 HydrophobicContact CD2-CE2 3.83Å; F68-Y80 AromaticContact CE2-CD2 3.58Å; F68-Y80 HydrophobicContact CE2-CD2 3.58Å; F68-Y80 AromaticContact CE2-CE2 3.29Å; F68-Y80 HydrophobicContact CE2-CE2 3.29Å; F68-Y80 HydrophobicContact CZ-CE2 4.09Å
69	Y	89.3	Confident	87.1	Confident	44 Å²	44	34.4 Å²	34.4	17%	0.173	18%	0.176	C	C	.	.	H	α-helix	trans	-58.2	-50.6	171.2	169.4	-97.9	0	0	0	112.2	S65 V67 L71 G72 F74 Y96 T99 I100	S65-Y69 WeakPolarHBondContact O-CB 3.15Å; S65-Y69 PolarHBondContact O-N 2.93Å; V67-Y69 VanDerWaalsContact C-N 3.29Å; V67-Y69 PolarHBondContact O-N 3.11Å; Y69-L71 VanDerWaalsContact C-N 3.27Å; Y69-L71 PolarHBondContact O-N 3.13Å; Y69-G72 PolarHBondContact O-N 3.48Å; Y69-G72 VanDerWaalsContact O-N 3.11Å; Y69-F74 HydrophobicContact CD2-CD1 4.41Å; Y69-F74 AromaticContact CD2-CE1 3.9Å; Y69-F74 HydrophobicContact CD2-CE1 3.9Å; Y69-F74 HydrophobicContact CE2-CE1 4.22Å; Y69-Y96 HydrophobicContact CD1-CD2 4.04Å; Y69-Y96 HydrophobicContact CD2-CD2 4Å; Y69-Y96 AromaticContact CG-CD2 3.72Å; Y69-Y96 HydrophobicContact CG-CD2 3.72Å; Y69-Y96 HydrophobicContact CG-CE2 4.36Å; Y69-T99 HydrophobicContact CE2-CG2 3.83Å; Y69-I100 HydrophobicContact CD2-CD1 4.31Å
70	H	86.8	Confident	87.2	Confident	60 Å²	60	34.3 Å²	34.3	28%	0.278	18%	0.175	S	C	.	.	H	α-helix	trans	-68.7	-25.8	176.6	-73	-60.2	0	0	0	112.8	N32 W35 K66 V67 G72	N32-H70 PolarHBondContact OD1-NE2 2.7Å; W35-H70 HydrophobicContact CB-CB 3.79Å; W35-H70 HydrophobicContact CD2-CB 3.89Å; W35-H70 HydrophobicContact CE3-CB 4.19Å; W35-H70 HydrophobicContact CG-CB 3.71Å; K66-H70 PolarHBondContact O-CD2 3.27Å; K66-H70 VanDerWaalsContact O-CD2 3.22Å; K66-H70 PolarHBondContact O-N 3Å; V67-H70 PolarHBondContact O-N 3.08Å; H70-G72 VanDerWaalsContact C-N 3.27Å; H70-G72 PolarHBondContact O-N 3.3Å
71	L	88.3	Confident	87.2	Confident	89 Å²	89	34.3 Å²	34.3	47%	0.466	18%	0.175	S	C	.	.	H	α-helix	trans	-74.3	-12.9	172.3	-146.4	72.6	0	0	0	113.5	V67 F68 Y69 A73	V67-L71 WeakPolarHBondContact O-CB 3.35Å; V67-L71 PolarHBondContact O-N 3.13Å; F68-L71 HydrophobicContact CD1-CD2 4.23Å; F68-L71 CarbonylContact O-C 3.49Å; F68-L71 WeakPolarHBondContact O-CB 3.19Å; F68-L71 PolarHBondContact O-N 2.88Å; Y69-L71 VanDerWaalsContact C-N 3.27Å; Y69-L71 PolarHBondContact O-N 3.13Å; L71-A73 VanDerWaalsContact C-N 3.28Å; L71-A73 HydrophobicContact CB-CB 4.38Å
72	G	86.2	Confident	86.9	Confident	38 Å²	38	34.8 Å²	34.8	39%	0.392	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	77	8.3	-172.6	0	0	0	0	0	114.8	F68 Y69 H70 F74	F68-G72 PolarHBondContact O-N 2.97Å; F68-G72 VanDerWaalsContact O-N 3.08Å; Y69-G72 PolarHBondContact O-N 3.48Å; Y69-G72 VanDerWaalsContact O-N 3.11Å; H70-G72 VanDerWaalsContact C-N 3.27Å; H70-G72 PolarHBondContact O-N 3.3Å; G72-F74 WeakPolarHBondContact O-CD2 3.42Å; G72-F74 WeakPolarHBondContact O-CE2 3.31Å; G72-F74 PolarHBondContact O-N 3Å; G72-F74 VanDerWaalsContact O-N 3.13Å
73	A	89.9	Confident	86.7	Confident	20 Å²	20	34.4 Å²	34.4	17%	0.165	18%	0.178	C	C	.	.			trans	-86.1	71.7	-179	0	0	0	0	0	110.4	F68 L71 E75 E76 S77	F68-A73 HydrophobicContact CB-CB 4.08Å; F68-A73 HydrophobicContact CD1-CB 3.8Å; F68-A73 HydrophobicContact CG-CB 4.39Å; F68-A73 PolarHBondContact O-N 2.66Å; L71-A73 VanDerWaalsContact C-N 3.28Å; L71-A73 HydrophobicContact CB-CB 4.38Å; A73-E75 PolarHBondContact O-N 2.88Å; A73-E76 VanDerWaalsContact C-OE2 3.3Å; A73-E76 WeakPolarHBondContact CB-OE2 3.24Å; A73-S77 WeakPolarHBondContact O-CB 3.39Å; A73-S77 PolarHBondContact O-N 3.36Å
74	F	86.8	Confident	86.4	Confident	72 Å²	72	34.4 Å²	34.4	32%	0.316	18%	0.178	S	C	.	.	H	α-helix	trans	-73.5	-24.2	-167.4	-61.8	-68.3	0	0	0	115	Y69 G72 L78 T99 K103	Y69-F74 HydrophobicContact CD2-CD1 4.41Å; Y69-F74 AromaticContact CD2-CE1 3.9Å; Y69-F74 HydrophobicContact CD2-CE1 3.9Å; Y69-F74 HydrophobicContact CE2-CE1 4.22Å; G72-F74 WeakPolarHBondContact O-CD2 3.42Å; G72-F74 WeakPolarHBondContact O-CE2 3.31Å; G72-F74 PolarHBondContact O-N 3Å; G72-F74 VanDerWaalsContact O-N 3.13Å; F74-L78 VanDerWaalsContact O-CB 3.3Å; F74-L78 WeakPolarHBondContact O-CB 3.48Å; F74-L78 PolarHBondContact O-N 3.35Å; F74-T99 HydrophobicContact CE1-CG2 4.18Å; F74-K103 HydrophobicContact CB-CD 4.09Å; F74-K103 HydrophobicContact CB-CG 4.1Å; F74-K103 HydrophobicContact CD1-CG 4.39Å; F74-K103 HydrophobicContact CG-CD 4.35Å; F74-K103 HydrophobicContact CG-CG 4.29Å
75	E	85.4	Confident	86	Confident	108 Å²	108	36.1 Å²	36.1	51%	0.505	20%	0.195	S	C	.	.	H	α-helix	trans	-78	-39.6	179.9	-64.7	-168.9	161.2	0	0	110.5	A73 L78 N79 K110	A73-E75 PolarHBondContact O-N 2.88Å; E75-L78 PolarHBondContact O-N 2.79Å; E75-N79 VanDerWaalsContact O-CG 3.27Å; E75-N79 PolarHBondContact O-N 3.1Å; E75-N79 VanDerWaalsContact O-N 3.13Å; E75-N79 PolarHBondContact O-ND2 2.97Å; E75-K110 IonicContact OE1-NZ 3.23Å
76	E	85.6	Confident	85.3	Confident	89 Å²	89	41.8 Å²	41.8	42%	0.416	23%	0.226	S	C	.	.	H	α-helix	trans	-65	-48	170.2	-58.3	83.9	169.3	0	0	110.9	F68 A73 L78 N79 Y80	F68-E76 HydrophobicContact CB-CB 4.47Å; F68-E76 HydrophobicContact CD1-CB 4.11Å; F68-E76 HydrophobicContact CD2-CB 4.3Å; F68-E76 HydrophobicContact CE1-CB 4.41Å; F68-E76 HydrophobicContact CG-CB 4.05Å; A73-E76 VanDerWaalsContact C-OE2 3.3Å; A73-E76 WeakPolarHBondContact CB-OE2 3.24Å; E76-L78 VanDerWaalsContact C-N 3.28Å; E76-L78 PolarHBondContact O-N 2.73Å; E76-N79 PolarHBondContact O-N 3.1Å; E76-N79 VanDerWaalsContact O-N 3.09Å; E76-Y80 WeakPolarHBondContact O-CD2 3.44Å; E76-Y80 PolarHBondContact O-N 2.94Å
77	S	87.5	Confident	84.8	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-55.5	-42.4	175.7	-175.6	0	0	0	0	111.9	S65 A73 Y80 A81 I100	S65-S77 WeakPolarHBondContact CB-O 3.47Å; S65-S77 PolarHBondContact O-OG 2.99Å; S65-S77 PolarHBondContact OG-O 3.37Å; S65-S77 PolarHBondContact OG-OG 3.09Å; S65-S77 VanDerWaalsContact OG-OG 3.13Å; A73-S77 WeakPolarHBondContact O-CB 3.39Å; A73-S77 PolarHBondContact O-N 3.36Å; S77-Y80 PolarHBondContact O-N 3.04Å; S77-A81 WeakPolarHBondContact O-CB 3.35Å; S77-A81 PolarHBondContact O-N 2.88Å; S77-I100 WeakPolarHBondContact OG-CD1 3.39Å
78	L	85.1	Confident	84.3	Confident	2 Å²	2	42.9 Å²	42.9	1%	0.01	23%	0.233	C	C	.	.	H	α-helix	trans	-61.4	-46.8	174.2	174.1	58.7	0	0	0	112.3	F74 E75 E76 Y80 A81 L82 C104 H107 L130	F74-L78 VanDerWaalsContact O-CB 3.3Å; F74-L78 WeakPolarHBondContact O-CB 3.48Å; F74-L78 PolarHBondContact O-N 3.35Å; E75-L78 PolarHBondContact O-N 2.79Å; E76-L78 VanDerWaalsContact C-N 3.28Å; E76-L78 PolarHBondContact O-N 2.73Å; L78-Y80 VanDerWaalsContact C-N 3.33Å; L78-Y80 PolarHBondContact O-N 3.17Å; L78-A81 PolarHBondContact O-N 2.91Å; L78-L82 HydrophobicContact CD1-CD1 4.15Å; L78-L82 HydrophobicContact CD1-CG 4.21Å; L78-L82 HydrophobicContact CG-CD1 4.18Å; L78-L82 WeakPolarHBondContact O-CG 3.19Å; L78-L82 PolarHBondContact O-N 2.95Å; L78-C104 HydrophobicContact CD1-CB 4.21Å; L78-C104 WeakPolarHBondContact CD1-SG 3.28Å; L78-H107 HydrophobicContact CD2-CB 3.69Å; L78-H107 VanDerWaalsContact CD2-ND1 3.33Å; L78-H107 WeakPolarHBondContact CD2-ND1 3.41Å; L78-L130 HydrophobicContact CD1-CD1 4.21Å
79	N	86.3	Confident	83.5	Confident	88 Å²	88	45.6 Å²	45.6	47%	0.471	25%	0.248	S	C	.	.	H	α-helix	trans	-60.6	-42	-179.9	-68.1	-28.4	0	0	0	112	E75 E76 L82 G83	E75-N79 VanDerWaalsContact O-CG 3.27Å; E75-N79 PolarHBondContact O-N 3.1Å; E75-N79 VanDerWaalsContact O-N 3.13Å; E75-N79 PolarHBondContact O-ND2 2.97Å; E76-N79 PolarHBondContact O-N 3.1Å; E76-N79 VanDerWaalsContact O-N 3.09Å; N79-L82 PolarHBondContact O-N 3.01Å; N79-G83 PolarHBondContact O-N 3.24Å
80	Y	86.5	Confident	82.6	Confident	32 Å²	32	43.8 Å²	43.8	13%	0.125	24%	0.242	C	C	.	.	H	α-helix	trans	-73.6	-30.5	175.5	-67.7	-63.1	0	0	0	113.2	E46 Y49 A61 A64 F68 E76 S77 L78 L82 G83 A84	E46-Y80 VanDerWaalsContact CG-OH 3.32Å; E46-Y80 WeakPolarHBondContact CG-OH 3.35Å; E46-Y80 PolarHBondContact OE1-OH 3.27Å; Y49-Y80 AromaticContact CD1-CD1 3.97Å; Y49-Y80 HydrophobicContact CD1-CD1 3.97Å; Y49-Y80 AromaticContact CD1-CE1 3.6Å; Y49-Y80 HydrophobicContact CD1-CE1 3.6Å; Y49-Y80 HydrophobicContact CE1-CD1 4.1Å; Y49-Y80 AromaticContact CE1-CE1 3.93Å; Y49-Y80 HydrophobicContact CE1-CE1 3.93Å; Y49-Y80 HydrophobicContact CG-CD1 4.23Å; Y49-Y80 HydrophobicContact CG-CE1 4.15Å; A61-Y80 VanDerWaalsContact CB-O 3.31Å; A61-Y80 WeakPolarHBondContact CB-O 3.32Å; A64-Y80 HydrophobicContact CB-CD1 4.37Å; A64-Y80 HydrophobicContact CB-CD2 4.26Å; A64-Y80 HydrophobicContact CB-CG 4.08Å; F68-Y80 AromaticContact CD2-CD2 3.62Å; F68-Y80 HydrophobicContact CD2-CD2 3.62Å; F68-Y80 AromaticContact CD2-CE2 3.83Å; F68-Y80 HydrophobicContact CD2-CE2 3.83Å; F68-Y80 AromaticContact CE2-CD2 3.58Å; F68-Y80 HydrophobicContact CE2-CD2 3.58Å; F68-Y80 AromaticContact CE2-CE2 3.29Å; F68-Y80 HydrophobicContact CE2-CE2 3.29Å; F68-Y80 HydrophobicContact CZ-CE2 4.09Å; E76-Y80 WeakPolarHBondContact O-CD2 3.44Å; E76-Y80 PolarHBondContact O-N 2.94Å; S77-Y80 PolarHBondContact O-N 3.04Å; L78-Y80 VanDerWaalsContact C-N 3.33Å; L78-Y80 PolarHBondContact O-N 3.17Å; Y80-L82 VanDerWaalsContact C-N 3.34Å; Y80-G83 CarbonylContact O-C 3.56Å; Y80-G83 WeakPolarHBondContact O-CA 3.33Å; Y80-G83 PolarHBondContact O-N 3.46Å; Y80-G83 VanDerWaalsContact O-N 3.1Å; Y80-A84 PolarHBondContact O-N 3.38Å
81	A	84.8	Confident	81.8	Confident	1 Å²	1	46.5 Å²	46.5	1%	0.008	26%	0.258	C	S	.	.	H	α-helix	trans	-63.5	-40.1	170.5	0	0	0	0	0	111.8	S77 L78 G83 A84 F88 I100	S77-A81 WeakPolarHBondContact O-CB 3.35Å; S77-A81 PolarHBondContact O-N 2.88Å; L78-A81 PolarHBondContact O-N 2.91Å; A81-G83 VanDerWaalsContact C-N 3.28Å; A81-G83 PolarHBondContact O-N 3.49Å; A81-A84 WeakPolarHBondContact O-CB 3.23Å; A81-A84 PolarHBondContact O-N 3.16Å; A81-F88 HydrophobicContact CB-CD2 4.1Å; A81-F88 HydrophobicContact CB-CE2 4.24Å; A81-F88 HydrophobicContact CB-CG 4.45Å; A81-I100 HydrophobicContact CB-CG2 3.93Å
82	L	81.8	Confident	81.3	Confident	9 Å²	9	46.5 Å²	46.5	5%	0.047	26%	0.259	C	S	.	.	H	α-helix	trans	-66	-31.1	171.1	-64	167.3	0	0	0	111.9	L78 N79 Y80 R129 L130 I133	L78-L82 HydrophobicContact CD1-CD1 4.15Å; L78-L82 HydrophobicContact CD1-CG 4.21Å; L78-L82 HydrophobicContact CG-CD1 4.18Å; L78-L82 WeakPolarHBondContact O-CG 3.19Å; L78-L82 PolarHBondContact O-N 2.95Å; N79-L82 PolarHBondContact O-N 3.01Å; Y80-L82 VanDerWaalsContact C-N 3.34Å; L82-R129 HydrophobicContact CB-CB 4.5Å; L82-R129 HydrophobicContact CD2-CB 3.86Å; L82-R129 WeakPolarHBondContact O-CD 3.4Å; L82-R129 PolarHBondContact O-NH1 3.35Å; L82-L130 HydrophobicContact CD1-CB 4.23Å; L82-L130 HydrophobicContact CD1-CD1 4.4Å; L82-L130 HydrophobicContact CD2-CB 4.04Å; L82-L130 HydrophobicContact CD2-CD1 4.33Å; L82-I133 HydrophobicContact CD2-CD1 3.7Å
83	G	81.9	Confident	80.7	Confident	9 Å²	9	51.3 Å²	51.3	9%	0.093	28%	0.276	C	S	.	.	H	α-helix	trans	-65.3	-32.1	171.2	0	0	0	0	0	114.4	Y49 N79 Y80 A81 G85	Y49-G83 WeakPolarHBondContact OH-CA 3.34Å; N79-G83 PolarHBondContact O-N 3.24Å; Y80-G83 CarbonylContact O-C 3.56Å; Y80-G83 WeakPolarHBondContact O-CA 3.33Å; Y80-G83 PolarHBondContact O-N 3.46Å; Y80-G83 VanDerWaalsContact O-N 3.1Å; A81-G83 VanDerWaalsContact C-N 3.28Å; A81-G83 PolarHBondContact O-N 3.49Å; G83-G85 VanDerWaalsContact C-N 3.32Å; G83-G85 PolarHBondContact O-N 3.24Å
84	A	80.2	Confident	80.4	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-72.4	-20.8	-178.8	0	0	0	0	0	114.1	Q58 A61 L62 Y80 A81 D86 L87 F88	Q58-A84 WeakPolarHBondContact O-CB 3.49Å; A61-A84 HydrophobicContact CB-CB 4.17Å; L62-A84 HydrophobicContact CB-CB 4.11Å; Y80-A84 PolarHBondContact O-N 3.38Å; A81-A84 WeakPolarHBondContact O-CB 3.23Å; A81-A84 PolarHBondContact O-N 3.16Å; A84-D86 PolarHBondContact O-N 3.02Å; A84-L87 HydrophobicContact CB-CB 4.48Å; A84-L87 PolarHBondContact O-N 3.47Å; A84-F88 HydrophobicContact CB-CB 4.37Å
85	G	78.6	Confident	80.2	Confident	35 Å²	35	56.6 Å²	56.6	36%	0.361	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	57.3	-123.4	176	0	0	0	0	0	112.9	G83 L87 F88	G83-G85 VanDerWaalsContact C-N 3.32Å; G83-G85 PolarHBondContact O-N 3.24Å; G85-L87 PolarHBondContact O-N 3.31Å; G85-L87 VanDerWaalsContact O-N 3.16Å; G85-F88 PolarHBondContact O-N 3.18Å
86	D	75.1	Confident	80.2	Confident	120 Å²	120	52.3 Å²	52.3	64%	0.642	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-68.2	-10.3	-176.2	-57.4	-58	0	0	0	114.6	A84 F88	A84-D86 PolarHBondContact O-N 3.02Å; D86-F88 VanDerWaalsContact C-N 3.31Å
87	L	77.6	Confident	80.2	Confident	63 Å²	63	48.5 Å²	48.5	33%	0.33	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-78.8	-13.8	170.1	-60.9	-175.5	0	0	0	113.2	Q58 F59 L62 A84 G85 N89	Q58-L87 HydrophobicContact CB-CD1 3.63Å; Q58-L87 HydrophobicContact CB-CG 4.18Å; F59-L87 HydrophobicContact CB-CD1 4.14Å; F59-L87 HydrophobicContact CD2-CD1 3.54Å; F59-L87 HydrophobicContact CE2-CD1 4.29Å; F59-L87 HydrophobicContact CG-CD1 4.15Å; L62-L87 HydrophobicContact CD2-CB 4.39Å; A84-L87 HydrophobicContact CB-CB 4.48Å; A84-L87 PolarHBondContact O-N 3.47Å; G85-L87 PolarHBondContact O-N 3.31Å; G85-L87 VanDerWaalsContact O-N 3.16Å; L87-N89 PolarHBondContact O-N 2.91Å
88	F	77.9	Confident	80	Confident	5 Å²	5	55.3 Å²	55.3	2%	0.022	30%	0.297	C	S	.	.	S	Bend	trans	-94.7	90	173.8	-174.4	-98.1	0	0	0	110.5	A81 A84 G85 D86 V90 Y96 V97 I100 I133	A81-F88 HydrophobicContact CB-CD2 4.1Å; A81-F88 HydrophobicContact CB-CE2 4.24Å; A81-F88 HydrophobicContact CB-CG 4.45Å; A84-F88 HydrophobicContact CB-CB 4.37Å; G85-F88 PolarHBondContact O-N 3.18Å; D86-F88 VanDerWaalsContact C-N 3.31Å; F88-V90 PolarHBondContact O-N 3.4Å; F88-Y96 HydrophobicContact CD2-CE1 4.27Å; F88-Y96 AromaticContact CE2-CE1 3.96Å; F88-Y96 HydrophobicContact CE2-CE1 3.96Å; F88-V97 HydrophobicContact CE2-CG2 4.02Å; F88-V97 HydrophobicContact CZ-CG1 4.35Å; F88-V97 HydrophobicContact CZ-CG2 4.36Å; F88-I100 HydrophobicContact CE1-CG2 4.37Å; F88-I100 HydrophobicContact CE2-CB 4.15Å; F88-I100 HydrophobicContact CE2-CG2 3.82Å; F88-I100 HydrophobicContact CZ-CB 3.93Å; F88-I100 HydrophobicContact CZ-CG2 3.51Å; F88-I133 HydrophobicContact CD1-CD1 3.87Å; F88-I133 HydrophobicContact CE1-CD1 4.02Å
89	N	72.1	Confident	80	Confident	74 Å²	74	57.4 Å²	57.4	40%	0.396	31%	0.31	S	S	.	.			trans	-86.4	112.5	-176.6	-78.3	-60.5	0	0	0	112.9	L87 N91 D92	L87-N89 PolarHBondContact O-N 2.91Å; N89-N91 PolarHBondContact O-N 3.48Å; N89-D92 PolarHBondContact O-N 3.24Å; N89-D92 VanDerWaalsContact O-N 3.14Å
90	V	69.9	Low	80	Confident	5 Å²	5	53.2 Å²	53.2	3%	0.03	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-11.4	175.7	-169.4	0	0	0	0	113.1	F88 I101 I133 K136 R140	F88-V90 PolarHBondContact O-N 3.4Å; V90-I101 HydrophobicContact CG1-CD1 3.75Å; V90-I101 HydrophobicContact CG1-CG1 4.45Å; V90-I133 HydrophobicContact CG2-CG2 4.16Å; V90-K136 HydrophobicContact CG1-CB 4.47Å; V90-K136 HydrophobicContact CG2-CB 4.29Å; V90-K136 HydrophobicContact CG2-CD 4.06Å; V90-R140 PolarHBondContact O-NH1 2.96Å
91	N	71.1	Confident	79.9	Confident	117 Å²	117	52.6 Å²	52.6	63%	0.626	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-15.5	-179.8	-65	-8.7	0	0	0	113.4	N89 N93	N89-N91 PolarHBondContact O-N 3.48Å; N91-N93 PolarHBondContact O-N 3.41Å
92	D	77.2	Confident	79.9	Confident	89 Å²	89	54.8 Å²	54.8	48%	0.476	30%	0.304	S	S	.	.			trans	-81.5	111.4	-175.1	-67.5	-14.3	0	0	0	110.4	N89 S94 V97	N89-D92 PolarHBondContact O-N 3.24Å; N89-D92 VanDerWaalsContact O-N 3.14Å; D92-S94 PolarHBondContact O-N 3.29Å; D92-V97 HydrophobicContact CB-CG2 4.42Å; D92-V97 WeakPolarHBondContact O-CB 3.41Å; D92-V97 WeakPolarHBondContact O-CG1 3.46Å
93	N	73.2	Confident	80.1	Confident	140 Å²	140	57.8 Å²	57.8	75%	0.749	32%	0.317	S	S	*	.			trans	-74.6	60.2	-179.8	-63	-27.4	0	0	0	112.2	N91 R140	N91-N93 PolarHBondContact O-N 3.41Å; N93-R140 PolarHBondContact OD1-NH2 3.48Å
94	S	83.7	Confident	80.3	Confident	47 Å²	47	57.3 Å²	57.3	33%	0.329	31%	0.312	S	S	.	.			trans	-104.2	145.5	172.3	68.1	0	0	0	0	110.7	D92 Y96 V97 E98	D92-S94 PolarHBondContact O-N 3.29Å; S94-Y96 PolarHBondContact O-N 3.13Å; S94-Y96 VanDerWaalsContact O-N 3.17Å; S94-V97 PolarHBondContact O-N 3.35Å; S94-V97 WeakPolarHBondContact OG-CB 3.33Å; S94-V97 WeakPolarHBondContact OG-CG2 3.34Å; S94-V97 PolarHBondContact OG-N 2.96Å; S94-E98 PolarHBondContact O-N 3.44Å
95	E	82.2	Confident	80.5	Confident	155 Å²	155	58.4 Å²	58.4	72%	0.724	32%	0.318	S	S	*	.	H	α-helix	trans	-54.6	-36.1	179.1	-60.4	174.8	166.3	0	0	112.1	T99	E95-T99 VanDerWaalsContact O-CB 3.32Å; E95-T99 WeakPolarHBondContact O-CB 3.19Å; E95-T99 PolarHBondContact O-N 3.21Å; E95-T99 PolarHBondContact O-OG1 3.04Å
96	Y	85.3	Confident	80.9	Confident	19 Å²	19	60.6 Å²	60.6	8%	0.075	32%	0.321	C	S	.	.	H	α-helix	trans	-60.3	-54.3	171.4	164.2	-103.2	0	0	0	111.9	L62 S65 K66 Y69 F88 S94 E98 T99 I100	L62-Y96 HydrophobicContact CD1-CE1 4.3Å; S65-Y96 WeakPolarHBondContact CB-OH 3.3Å; S65-Y96 PolarHBondContact OG-OH 2.8Å; K66-Y96 HydrophobicContact CB-CE2 4.37Å; K66-Y96 HydrophobicContact CG-CD1 4.34Å; K66-Y96 HydrophobicContact CG-CD2 3.96Å; K66-Y96 HydrophobicContact CG-CE1 4.03Å; K66-Y96 HydrophobicContact CG-CE2 3.59Å; K66-Y96 HydrophobicContact CG-CG 4.31Å; Y69-Y96 HydrophobicContact CD1-CD2 4.04Å; Y69-Y96 HydrophobicContact CD2-CD2 4Å; Y69-Y96 AromaticContact CG-CD2 3.72Å; Y69-Y96 HydrophobicContact CG-CD2 3.72Å; Y69-Y96 HydrophobicContact CG-CE2 4.36Å; F88-Y96 HydrophobicContact CD2-CE1 4.27Å; F88-Y96 AromaticContact CE2-CE1 3.96Å; F88-Y96 HydrophobicContact CE2-CE1 3.96Å; S94-Y96 PolarHBondContact O-N 3.13Å; S94-Y96 VanDerWaalsContact O-N 3.17Å; Y96-E98 PolarHBondContact O-N 3Å; Y96-T99 PolarHBondContact O-N 2.68Å; Y96-I100 HydrophobicContact CD2-CG1 3.95Å; Y96-I100 HydrophobicContact CE2-CD1 4.35Å; Y96-I100 HydrophobicContact CE2-CG1 3.75Å; Y96-I100 WeakPolarHBondContact O-CB 3.44Å; Y96-I100 VanDerWaalsContact O-CG1 3.23Å; Y96-I100 WeakPolarHBondContact O-CG1 3.2Å; Y96-I100 PolarHBondContact O-N 2.89Å
97	V	85.3	Confident	81.4	Confident	8 Å²	8	56.8 Å²	56.8	5%	0.048	30%	0.299	C	S	.	.	H	α-helix	trans	-63.3	-41.4	179.5	167.6	0	0	0	0	111.4	F88 D92 S94 I100 I101	F88-V97 HydrophobicContact CE2-CG2 4.02Å; F88-V97 HydrophobicContact CZ-CG1 4.35Å; F88-V97 HydrophobicContact CZ-CG2 4.36Å; D92-V97 HydrophobicContact CB-CG2 4.42Å; D92-V97 WeakPolarHBondContact O-CB 3.41Å; D92-V97 WeakPolarHBondContact O-CG1 3.46Å; S94-V97 PolarHBondContact O-N 3.35Å; S94-V97 WeakPolarHBondContact OG-CB 3.33Å; S94-V97 WeakPolarHBondContact OG-CG2 3.34Å; S94-V97 PolarHBondContact OG-N 2.96Å; V97-I100 PolarHBondContact O-N 3.38Å; V97-I101 HydrophobicContact CG1-CD1 3.52Å; V97-I101 HydrophobicContact CG1-CG1 4.24Å; V97-I101 WeakPolarHBondContact O-CB 3.49Å; V97-I101 WeakPolarHBondContact O-CD1 3.27Å; V97-I101 WeakPolarHBondContact O-CG1 3.41Å; V97-I101 PolarHBondContact O-N 2.85Å
98	E	84.2	Confident	81.9	Confident	144 Å²	144	54 Å²	54	67%	0.673	28%	0.284	S	S	*	.	H	α-helix	trans	-62.6	-46.2	177.4	-174.7	168.3	-165.5	0	0	111.9	S94 Y96 I101 A102	S94-E98 PolarHBondContact O-N 3.44Å; Y96-E98 PolarHBondContact O-N 3Å; E98-I101 PolarHBondContact O-N 3.44Å; E98-A102 PolarHBondContact O-N 3.14Å
99	T	86	Confident	82.3	Confident	45 Å²	45	54.8 Å²	54.8	28%	0.276	29%	0.29	S	S	.	.	H	α-helix	trans	-66.6	-40.6	177.9	-52.3	0	0	0	0	112	Y69 F74 E95 Y96 A102 K103	Y69-T99 HydrophobicContact CE2-CG2 3.83Å; F74-T99 HydrophobicContact CE1-CG2 4.18Å; E95-T99 VanDerWaalsContact O-CB 3.32Å; E95-T99 WeakPolarHBondContact O-CB 3.19Å; E95-T99 PolarHBondContact O-N 3.21Å; E95-T99 PolarHBondContact O-OG1 3.04Å; Y96-T99 PolarHBondContact O-N 2.68Å; T99-A102 PolarHBondContact O-N 2.95Å; T99-K103 WeakPolarHBondContact O-CG 3.26Å; T99-K103 PolarHBondContact O-N 3.48Å
100	I	84.9	Confident	82.9	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-67.7	-39.2	176.6	-64.6	-62.1	0	0	0	110.8	Y69 S77 A81 F88 Y96 V97 A102 K103 C104	Y69-I100 HydrophobicContact CD2-CD1 4.31Å; S77-I100 WeakPolarHBondContact OG-CD1 3.39Å; A81-I100 HydrophobicContact CB-CG2 3.93Å; F88-I100 HydrophobicContact CE1-CG2 4.37Å; F88-I100 HydrophobicContact CE2-CB 4.15Å; F88-I100 HydrophobicContact CE2-CG2 3.82Å; F88-I100 HydrophobicContact CZ-CB 3.93Å; F88-I100 HydrophobicContact CZ-CG2 3.51Å; Y96-I100 HydrophobicContact CD2-CG1 3.95Å; Y96-I100 HydrophobicContact CE2-CD1 4.35Å; Y96-I100 HydrophobicContact CE2-CG1 3.75Å; Y96-I100 WeakPolarHBondContact O-CB 3.44Å; Y96-I100 VanDerWaalsContact O-CG1 3.23Å; Y96-I100 WeakPolarHBondContact O-CG1 3.2Å; Y96-I100 PolarHBondContact O-N 2.89Å; V97-I100 PolarHBondContact O-N 3.38Å; I100-A102 PolarHBondContact O-N 3.42Å; I100-K103 CarbonylContact O-C 3.57Å; I100-K103 PolarHBondContact O-N 3.34Å; I100-C104 PolarHBondContact O-N 2.84Å; I100-C104 PolarHBondContact O-SG 3.49Å
101	I	84.1	Confident	83.5	Confident	20 Å²	20	59.2 Å²	59.2	10%	0.103	31%	0.306	C	S	.	.	H	α-helix	trans	-61.7	-42.8	172.8	-70.7	164.1	0	0	0	111	V90 V97 E98 K103 C104 I105 M137	V90-I101 HydrophobicContact CG1-CD1 3.75Å; V90-I101 HydrophobicContact CG1-CG1 4.45Å; V97-I101 HydrophobicContact CG1-CD1 3.52Å; V97-I101 HydrophobicContact CG1-CG1 4.24Å; V97-I101 WeakPolarHBondContact O-CB 3.49Å; V97-I101 WeakPolarHBondContact O-CD1 3.27Å; V97-I101 WeakPolarHBondContact O-CG1 3.41Å; V97-I101 PolarHBondContact O-N 2.85Å; E98-I101 PolarHBondContact O-N 3.44Å; I101-K103 VanDerWaalsContact C-N 3.3Å; I101-K103 PolarHBondContact O-N 2.74Å; I101-C104 WeakPolarHBondContact O-CB 3.4Å; I101-C104 PolarHBondContact O-N 2.67Å; I101-I105 HydrophobicContact CG2-CD1 3.96Å; I101-I105 WeakPolarHBondContact O-CG1 3.36Å; I101-I105 PolarHBondContact O-N 3.17Å; I101-M137 HydrophobicContact CG2-CG 4.1Å
102	A	85.3	Confident	84	Confident	47 Å²	47	54.3 Å²	54.3	39%	0.388	28%	0.28	S	S	.	.	H	α-helix	trans	-58.9	-43.1	174	0	0	0	0	0	111.3	E98 T99 I100 I105 D106	E98-A102 PolarHBondContact O-N 3.14Å; T99-A102 PolarHBondContact O-N 2.95Å; I100-A102 PolarHBondContact O-N 3.42Å; A102-I105 PolarHBondContact O-N 2.87Å; A102-D106 PolarHBondContact O-N 3.26Å
103	K	86.6	Confident	84.2	Confident	71 Å²	71	52.6 Å²	52.6	31%	0.309	27%	0.273	S	S	.	.	H	α-helix	trans	-71.1	-32.2	176.7	-67.1	-70.5	157.6	-143.1	0	113.9	F74 T99 I100 I101 I105 D106 H107	F74-K103 HydrophobicContact CB-CD 4.09Å; F74-K103 HydrophobicContact CB-CG 4.1Å; F74-K103 HydrophobicContact CD1-CG 4.39Å; F74-K103 HydrophobicContact CG-CD 4.35Å; F74-K103 HydrophobicContact CG-CG 4.29Å; T99-K103 WeakPolarHBondContact O-CG 3.26Å; T99-K103 PolarHBondContact O-N 3.48Å; I100-K103 CarbonylContact O-C 3.57Å; I100-K103 PolarHBondContact O-N 3.34Å; I101-K103 VanDerWaalsContact C-N 3.3Å; I101-K103 PolarHBondContact O-N 2.74Å; K103-I105 VanDerWaalsContact C-N 3.31Å; K103-I105 PolarHBondContact O-N 3.16Å; K103-D106 IonicContact NZ-OD2 3.48Å; K103-D106 PolarHBondContact NZ-OD2 3.13Å; K103-H107 VanDerWaalsContact O-CB 3.27Å; K103-H107 WeakPolarHBondContact O-CB 3.33Å; K103-H107 PolarHBondContact O-N 2.98Å
104	C	85.6	Confident	84.5	Confident	0 Å²	0	50 Å²	50	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-55.9	-48.7	167.7	-68.3	0	0	0	0	110.1	L78 I100 I101 Y108 L130	L78-C104 HydrophobicContact CD1-CB 4.21Å; L78-C104 WeakPolarHBondContact CD1-SG 3.28Å; I100-C104 PolarHBondContact O-N 2.84Å; I100-C104 PolarHBondContact O-SG 3.49Å; I101-C104 WeakPolarHBondContact O-CB 3.4Å; I101-C104 PolarHBondContact O-N 2.67Å; C104-Y108 WeakPolarHBondContact O-CB 3.24Å; C104-Y108 PolarHBondContact O-N 3.49Å; C104-L130 HydrophobicContact CB-CD1 3.89Å
105	I	84.8	Confident	84.4	Confident	22 Å²	22	48.3 Å²	48.3	11%	0.113	24%	0.244	C	C	.	.	H	α-helix	trans	-71.1	-45.1	-176.9	-64	167.5	0	0	0	110.7	I101 A102 K103 H107 Y108 T109 V134 M137 I153	I101-I105 HydrophobicContact CG2-CD1 3.96Å; I101-I105 WeakPolarHBondContact O-CG1 3.36Å; I101-I105 PolarHBondContact O-N 3.17Å; A102-I105 PolarHBondContact O-N 2.87Å; K103-I105 VanDerWaalsContact C-N 3.31Å; K103-I105 PolarHBondContact O-N 3.16Å; I105-H107 VanDerWaalsContact C-N 3.31Å; I105-H107 PolarHBondContact O-N 2.98Å; I105-Y108 PolarHBondContact O-N 3.1Å; I105-T109 HydrophobicContact CG2-CG2 4.01Å; I105-T109 VanDerWaalsContact O-CB 3.31Å; I105-T109 WeakPolarHBondContact O-CB 3.21Å; I105-T109 WeakPolarHBondContact O-CG2 3.37Å; I105-T109 PolarHBondContact O-N 2.94Å; I105-T109 PolarHBondContact O-OG1 3.24Å; I105-V134 HydrophobicContact CG1-CG2 4.44Å; I105-M137 HydrophobicContact CD1-CE 4.18Å; I105-M137 HydrophobicContact CD1-CG 4.32Å; I105-M137 HydrophobicContact CD1-SD 4.12Å; I105-I153 HydrophobicContact CG2-CG2 4.36Å
106	D	86.9	Confident	83.8	Confident	81 Å²	81	42.7 Å²	42.7	43%	0.433	22%	0.224	S	C	.	.	H	α-helix	trans	-53.4	-47.5	173.2	-75.8	-17.7	0	0	0	111.6	A102 K103 T109 K110	A102-D106 PolarHBondContact O-N 3.26Å; K103-D106 IonicContact NZ-OD2 3.48Å; K103-D106 PolarHBondContact NZ-OD2 3.13Å; D106-T109 PolarHBondContact O-OG1 3.24Å; D106-T109 VanDerWaalsContact O-OG1 3.06Å; D106-K110 VanDerWaalsContact O-CB 3.24Å; D106-K110 WeakPolarHBondContact O-CB 3.5Å; D106-K110 PolarHBondContact O-N 3.07Å; D106-K110 VanDerWaalsContact O-N 3.16Å
107	H	86.2	Confident	83.1	Confident	40 Å²	40	46 Å²	46	19%	0.185	24%	0.243	C	C	.	.	H	α-helix	trans	-74.2	-43.1	-177	-174.3	-138.3	0	0	0	112.3	L78 K103 I105 K110 Q111	L78-H107 HydrophobicContact CD2-CB 3.69Å; L78-H107 VanDerWaalsContact CD2-ND1 3.33Å; L78-H107 WeakPolarHBondContact CD2-ND1 3.41Å; K103-H107 VanDerWaalsContact O-CB 3.27Å; K103-H107 WeakPolarHBondContact O-CB 3.33Å; K103-H107 PolarHBondContact O-N 2.98Å; I105-H107 VanDerWaalsContact C-N 3.31Å; I105-H107 PolarHBondContact O-N 2.98Å; H107-K110 PolarHBondContact O-N 3.43Å; H107-Q111 PolarHBondContact CE1-NE2 2.81Å; H107-Q111 PolarHBondContact NE2-NE2 3.03Å; H107-Q111 WeakPolarHBondContact O-CG 3.44Å; H107-Q111 PolarHBondContact O-N 3.16Å
108	Y	87.4	Confident	82.5	Confident	4 Å²	4	48.5 Å²	48.5	2%	0.016	26%	0.256	C	S	.	.	H	α-helix	trans	-64.1	-45.4	177.4	-179.5	-101.7	0	0	0	111.5	C104 I105 K110 Q111 C112 I126 L130 E131 V134 T157 R159	C104-Y108 WeakPolarHBondContact O-CB 3.24Å; C104-Y108 PolarHBondContact O-N 3.49Å; I105-Y108 PolarHBondContact O-N 3.1Å; Y108-K110 PolarHBondContact O-N 3.06Å; Y108-Q111 PolarHBondContact O-N 2.86Å; Y108-C112 WeakPolarHBondContact O-CB 3.2Å; Y108-C112 PolarHBondContact O-N 3.44Å; Y108-C112 PolarHBondContact O-SG 3.1Å; Y108-I126 HydrophobicContact CD2-CG2 3.91Å; Y108-I126 HydrophobicContact CE2-CG2 3.81Å; Y108-L130 HydrophobicContact CD2-CD2 3.99Å; Y108-L130 HydrophobicContact CD2-CG 3.87Å; Y108-L130 HydrophobicContact CG-CD2 4.48Å; Y108-L130 HydrophobicContact CG-CG 4.37Å; Y108-E131 HydrophobicContact CE2-CB 3.96Å; Y108-E131 PolarHBondContact OH-OE1 3.28Å; Y108-V134 HydrophobicContact CD1-CB 4.46Å; Y108-V134 HydrophobicContact CD1-CG1 4.14Å; Y108-V134 HydrophobicContact CD1-CG2 3.91Å; Y108-V134 HydrophobicContact CE1-CB 4.4Å; Y108-V134 HydrophobicContact CE1-CG1 3.87Å; Y108-V134 HydrophobicContact CE1-CG2 4.34Å; Y108-V134 HydrophobicContact CG-CG2 4.03Å; Y108-T157 HydrophobicContact CD1-CG2 3.67Å; Y108-T157 HydrophobicContact CE1-CG2 3.67Å; Y108-R159 WeakPolarHBondContact OH-CD 3.1Å
109	T	85.6	Confident	81.7	Confident	23 Å²	23	45.4 Å²	45.4	14%	0.141	25%	0.248	C	C	.	.	H	α-helix	trans	-61.8	-42.6	175.9	54.9	0	0	0	0	111.9	I105 D106 Q111 C112 V113 E156 T157	I105-T109 HydrophobicContact CG2-CG2 4.01Å; I105-T109 VanDerWaalsContact O-CB 3.31Å; I105-T109 WeakPolarHBondContact O-CB 3.21Å; I105-T109 WeakPolarHBondContact O-CG2 3.37Å; I105-T109 PolarHBondContact O-N 2.94Å; I105-T109 PolarHBondContact O-OG1 3.24Å; D106-T109 PolarHBondContact O-OG1 3.24Å; D106-T109 VanDerWaalsContact O-OG1 3.06Å; T109-Q111 PolarHBondContact O-N 3.36Å; T109-C112 PolarHBondContact O-N 3.42Å; T109-V113 WeakPolarHBondContact O-CB 3.41Å; T109-V113 VanDerWaalsContact O-CG2 3.28Å; T109-V113 WeakPolarHBondContact O-CG2 3.45Å; T109-V113 PolarHBondContact O-N 3.33Å; T109-E156 HydrophobicContact CG2-CB 3.99Å; T109-T157 HydrophobicContact CG2-CG2 3.67Å
110	K	84.9	Confident	80.6	Confident	125 Å²	125	50.9 Å²	50.9	54%	0.543	27%	0.271	S	S	.	.	H	α-helix	trans	-57	-45.9	173.2	-179.7	-175.6	173.6	-166.8	0	112	E75 D106 H107 Y108 E114	E75-K110 IonicContact OE1-NZ 3.23Å; D106-K110 VanDerWaalsContact O-CB 3.24Å; D106-K110 WeakPolarHBondContact O-CB 3.5Å; D106-K110 PolarHBondContact O-N 3.07Å; D106-K110 VanDerWaalsContact O-N 3.16Å; H107-K110 PolarHBondContact O-N 3.43Å; Y108-K110 PolarHBondContact O-N 3.06Å; K110-E114 PolarHBondContact O-N 2.74Å
111	Q	83.9	Confident	79.2	Confident	46 Å²	46	54.8 Å²	54.8	22%	0.215	31%	0.31	C	S	.	.	H	α-helix	trans	-66.9	-43.2	174.9	-70.1	-173.1	4.1	0	0	112.8	H107 Y108 T109 V113 E114 N115	H107-Q111 PolarHBondContact CE1-NE2 2.81Å; H107-Q111 PolarHBondContact NE2-NE2 3.03Å; H107-Q111 WeakPolarHBondContact O-CG 3.44Å; H107-Q111 PolarHBondContact O-N 3.16Å; Y108-Q111 PolarHBondContact O-N 2.86Å; T109-Q111 PolarHBondContact O-N 3.36Å; Q111-V113 VanDerWaalsContact C-N 3.31Å; Q111-V113 PolarHBondContact O-N 3.36Å; Q111-E114 PolarHBondContact O-N 3.45Å; Q111-N115 VanDerWaalsContact O-CB 3.3Å; Q111-N115 WeakPolarHBondContact O-CB 3.49Å; Q111-N115 PolarHBondContact O-N 3Å
112	C	80.6	Confident	78.5	Confident	14 Å²	14	60 Å²	60	10%	0.095	33%	0.334	C	S	.	.	H	α-helix	trans	-64.3	-33.2	177.7	-73	0	0	0	0	112.8	Y108 T109 A116	Y108-C112 WeakPolarHBondContact O-CB 3.2Å; Y108-C112 PolarHBondContact O-N 3.44Å; Y108-C112 PolarHBondContact O-SG 3.1Å; T109-C112 PolarHBondContact O-N 3.42Å; C112-A116 WeakPolarHBondContact O-CB 3.31Å; C112-A116 PolarHBondContact O-N 2.86Å; C112-A116 VanDerWaalsContact O-N 3.09Å
113	V	81.4	Confident	77.9	Confident	54 Å²	54	62.1 Å²	62.1	33%	0.327	34%	0.335	S	S	.	.	H	α-helix	trans	-65.5	-53.9	172.5	161.8	0	0	0	0	110.4	T109 Q111 N115 A116 D117	T109-V113 WeakPolarHBondContact O-CB 3.41Å; T109-V113 VanDerWaalsContact O-CG2 3.28Å; T109-V113 WeakPolarHBondContact O-CG2 3.45Å; T109-V113 PolarHBondContact O-N 3.33Å; Q111-V113 VanDerWaalsContact C-N 3.31Å; Q111-V113 PolarHBondContact O-N 3.36Å; V113-N115 PolarHBondContact O-N 3.19Å; V113-A116 PolarHBondContact O-N 3.41Å; V113-D117 PolarHBondContact O-N 2.97Å; V113-D117 VanDerWaalsContact O-N 3.11Å
114	E	80.7	Confident	77.4	Confident	86 Å²	86	63.7 Å²	63.7	40%	0.402	34%	0.342	S	S	.	.	H	α-helix	trans	-59	-46.5	179.7	-168	-177.6	-165.3	0	0	111.8	K110 Q111 A116 D117 L118 K124	K110-E114 PolarHBondContact O-N 2.74Å; Q111-E114 PolarHBondContact O-N 3.45Å; E114-A116 PolarHBondContact O-N 3.24Å; E114-D117 PolarHBondContact O-N 2.86Å; E114-L118 HydrophobicContact CG-CD1 4.44Å; E114-L118 WeakPolarHBondContact O-CG 3.43Å; E114-L118 PolarHBondContact O-N 3.47Å; E114-K124 WeakPolarHBondContact OE1-CE 3.22Å; E114-K124 IonicContact OE1-NZ 3.58Å; E114-K124 PolarHBondContact OE1-NZ 3.26Å; E114-K124 WeakPolarHBondContact OE2-CE 3.5Å; E114-K124 IonicContact OE2-NZ 2.79Å; E114-K124 PolarHBondContact OE2-NZ 3.25Å
115	N	81.5	Confident	76.8	Confident	11 Å²	11	69.9 Å²	69.9	6%	0.059	38%	0.382	C	S	.	.	H	α-helix	trans	-68.9	-15.9	176.6	-80.2	-16.6	0	0	0	114.7	Q111 V113 K123 K124	Q111-N115 VanDerWaalsContact O-CB 3.3Å; Q111-N115 WeakPolarHBondContact O-CB 3.49Å; Q111-N115 PolarHBondContact O-N 3Å; V113-N115 PolarHBondContact O-N 3.19Å; N115-K123 HydrophobicContact CB-CG 4.43Å; N115-K124 PolarHBondContact ND2-O 3.47Å; N115-K124 WeakPolarHBondContact OD1-CB 3.44Å; N115-K124 PolarHBondContact OD1-N 3.42Å
116	A	69.6	Low	76.5	Confident	36 Å²	36	71.3 Å²	71.3	30%	0.298	39%	0.389	S	S	.	.	H	α-helix	trans	-95.6	-15.3	177.2	0	0	0	0	0	113.1	C112 V113 E114 R158	C112-A116 WeakPolarHBondContact O-CB 3.31Å; C112-A116 PolarHBondContact O-N 2.86Å; C112-A116 VanDerWaalsContact O-N 3.09Å; V113-A116 PolarHBondContact O-N 3.41Å; E114-A116 PolarHBondContact O-N 3.24Å; A116-R158 VanDerWaalsContact CB-NH1 3.29Å
117	D	69	Low	76.1	Confident	90 Å²	90	70.2 Å²	70.2	48%	0.481	38%	0.383	S	S	.	.	H	α-helix	trans	-95	-11.8	172.9	-61.4	-29.7	0	0	0	111.6	V113 E114 R158 N190	V113-D117 PolarHBondContact O-N 2.97Å; V113-D117 VanDerWaalsContact O-N 3.11Å; E114-D117 PolarHBondContact O-N 2.86Å; D117-R158 IonicContact OD1-CZ 2.66Å; D117-R158 IonicContact OD1-NH1 3.47Å; D117-R158 PolarHBondContact OD1-NH1 2.99Å; D117-R158 IonicContact OD1-NH2 3.77Å; D117-R158 PolarHBondContact OD1-NH2 3.38Å; D117-R158 IonicContact OD2-CZ 2.7Å; D117-R158 IonicContact OD2-NH1 3.86Å; D117-R158 IonicContact OD2-NH2 3.15Å; D117-R158 PolarHBondContact OD2-NH2 3.12Å; D117-R158 VanDerWaalsContact OD2-NH2 3.13Å; D117-N190 PolarHBondContact OD1-ND2 3.18Å
118	L	72.7	Confident	75.8	Confident	60 Å²	60	76.3 Å²	76.3	31%	0.314	41%	0.412	S	S	.	.	S	Bend	trans	-88	154.9	172.8	-75.8	170.3	0	0	0	114.1	E114	E114-L118 HydrophobicContact CG-CD1 4.44Å; E114-L118 WeakPolarHBondContact O-CG 3.43Å; E114-L118 PolarHBondContact O-N 3.47Å
119	P	67.7	Low	75.5	Confident	79 Å²	79	81.5 Å²	81.5	51%	0.513	43%	0.431	S	S	.	.			trans	-60.7	153.9	171	-22.1	34.1	0	0	0	113.6	G121 E122	P119-G121 PolarHBondContact O-N 3.02Å; P119-E122 PolarHBondContact O-N 3.17Å
120	E	62.5	Low	75.2	Confident	160 Å²	160	80.5 Å²	80.5	75%	0.748	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-23.6	-170	-160.9	121.8	-102.7	0	0	115	K123	E120-K123 IonicContact OE1-NZ 4Å; E120-K123 PolarHBondContact OE1-NZ 3.36Å
121	G	56.1	Low	75.1	Confident	81 Å²	81	77.9 Å²	77.9	84%	0.835	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-7.1	177.1	0	0	0	0	0	116.1	P119	P119-G121 PolarHBondContact O-N 3.02Å
122	E	68.5	Low	75	Confident	129 Å²	129	77 Å²	77	60%	0.603	42%	0.418	S	S	*	.	S	Bend	trans	-111.9	5.1	-175.6	-65.2	-174.5	165.4	0	0	113.5	P119 K124	P119-E122 PolarHBondContact O-N 3.17Å; E122-K124 PolarHBondContact O-N 2.68Å
123	K	73.8	Confident	75.1	Confident	93 Å²	93	77.1 Å²	77.1	40%	0.404	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-59.8	126.2	178.8	-65.8	175.8	178.4	165.3	0	111.4	N115 E120	N115-K123 HydrophobicContact CB-CG 4.43Å; E120-K123 IonicContact OE1-NZ 4Å; E120-K123 PolarHBondContact OE1-NZ 3.36Å
124	K	76.4	Confident	75.2	Confident	103 Å²	103	74.7 Å²	74.7	45%	0.448	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-64.5	134.8	172.7	-58	178.5	-172.7	174.5	0	109.6	E114 N115 E122 I126	E114-K124 WeakPolarHBondContact OE1-CE 3.22Å; E114-K124 IonicContact OE1-NZ 3.58Å; E114-K124 PolarHBondContact OE1-NZ 3.26Å; E114-K124 WeakPolarHBondContact OE2-CE 3.5Å; E114-K124 IonicContact OE2-NZ 2.79Å; E114-K124 PolarHBondContact OE2-NZ 3.25Å; N115-K124 PolarHBondContact ND2-O 3.47Å; N115-K124 WeakPolarHBondContact OD1-CB 3.44Å; N115-K124 PolarHBondContact OD1-N 3.42Å; E122-K124 PolarHBondContact O-N 2.68Å; K124-I126 PolarHBondContact O-N 2.67Å
125	P	73.3	Confident	75.4	Confident	130 Å²	130	73.4 Å²	73.4	84%	0.844	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-64.7	123.1	176.2	27	-33.6	0	0	0	110.2
126	I	78	Confident	75.5	Confident	53 Å²	53	77.4 Å²	77.4	27%	0.272	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-86.1	140.3	175	-55.5	175.5	0	0	0	108.6	Y108 K124 Q128	Y108-I126 HydrophobicContact CD2-CG2 3.91Å; Y108-I126 HydrophobicContact CE2-CG2 3.81Å; K124-I126 PolarHBondContact O-N 2.67Å; I126-Q128 PolarHBondContact O-N 2.98Å
127	D	78.4	Confident	76.1	Confident	57 Å²	57	77.6 Å²	77.6	31%	0.305	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-66.6	124.3	177.1	-167.3	-36.6	0	0	0	111.1	R129 L130 E131	D127-R129 PolarHBondContact O-N 3.48Å; D127-R129 VanDerWaalsContact O-N 3.17Å; D127-R129 WeakPolarHBondContact OD1-CB 3.48Å; D127-R129 VanDerWaalsContact OD1-CG 3.28Å; D127-R129 WeakPolarHBondContact OD1-CG 3.35Å; D127-R129 PolarHBondContact OD1-N 2.66Å; D127-R129 IonicContact OD1-NE 2.68Å; D127-R129 PolarHBondContact OD1-NE 3.33Å; D127-R129 VanDerWaalsContact OD1-NE 3.13Å; D127-R129 IonicContact OD2-CZ 2.72Å; D127-R129 VanDerWaalsContact OD2-CZ 3.23Å; D127-R129 IonicContact OD2-NE 2.67Å; D127-R129 PolarHBondContact OD2-NE 3.01Å; D127-R129 IonicContact OD2-NH2 3.35Å; D127-R129 PolarHBondContact OD2-NH2 3.2Å; D127-L130 HydrophobicContact CB-CB 4.27Å; D127-L130 WeakPolarHBondContact O-CB 3.38Å; D127-L130 PolarHBondContact O-N 3.14Å; D127-E131 PolarHBondContact O-N 2.89Å
128	Q	79.9	Confident	76.9	Confident	169 Å²	169	73.6 Å²	73.6	79%	0.79	39%	0.39	S	S	*	.	H	α-helix	trans	-58.7	-27	178.4	-62.9	178.1	3.9	0	0	112.7	I126 G132	I126-Q128 PolarHBondContact O-N 2.98Å; Q128-G132 PolarHBondContact O-N 2.97Å
129	R	80.4	Confident	77.4	Confident	112 Å²	112	76.4 Å²	76.4	42%	0.423	40%	0.401	S	S	.	.	H	α-helix	trans	-69.7	-38.9	175.9	-58.4	175.8	-67.6	172.7	-7	111.4	L82 D127 G132 I133	L82-R129 HydrophobicContact CB-CB 4.5Å; L82-R129 HydrophobicContact CD2-CB 3.86Å; L82-R129 WeakPolarHBondContact O-CD 3.4Å; L82-R129 PolarHBondContact O-NH1 3.35Å; D127-R129 PolarHBondContact O-N 3.48Å; D127-R129 VanDerWaalsContact O-N 3.17Å; D127-R129 WeakPolarHBondContact OD1-CB 3.48Å; D127-R129 VanDerWaalsContact OD1-CG 3.28Å; D127-R129 WeakPolarHBondContact OD1-CG 3.35Å; D127-R129 PolarHBondContact OD1-N 2.66Å; D127-R129 IonicContact OD1-NE 2.68Å; D127-R129 PolarHBondContact OD1-NE 3.33Å; D127-R129 VanDerWaalsContact OD1-NE 3.13Å; D127-R129 IonicContact OD2-CZ 2.72Å; D127-R129 VanDerWaalsContact OD2-CZ 3.23Å; D127-R129 IonicContact OD2-NE 2.67Å; D127-R129 PolarHBondContact OD2-NE 3.01Å; D127-R129 IonicContact OD2-NH2 3.35Å; D127-R129 PolarHBondContact OD2-NH2 3.2Å; R129-G132 PolarHBondContact O-N 3.06Å; R129-I133 PolarHBondContact O-N 3.24Å
130	L	80.4	Confident	78.2	Confident	3 Å²	3	76.4 Å²	76.4	2%	0.016	39%	0.391	C	S	.	.	H	α-helix	trans	-68.8	-45.6	178.5	-177.2	62.1	0	0	0	110.4	L78 L82 C104 Y108 D127 G132 I133 V134	L78-L130 HydrophobicContact CD1-CD1 4.21Å; L82-L130 HydrophobicContact CD1-CB 4.23Å; L82-L130 HydrophobicContact CD1-CD1 4.4Å; L82-L130 HydrophobicContact CD2-CB 4.04Å; L82-L130 HydrophobicContact CD2-CD1 4.33Å; C104-L130 HydrophobicContact CB-CD1 3.89Å; Y108-L130 HydrophobicContact CD2-CD2 3.99Å; Y108-L130 HydrophobicContact CD2-CG 3.87Å; Y108-L130 HydrophobicContact CG-CD2 4.48Å; Y108-L130 HydrophobicContact CG-CG 4.37Å; D127-L130 HydrophobicContact CB-CB 4.27Å; D127-L130 WeakPolarHBondContact O-CB 3.38Å; D127-L130 PolarHBondContact O-N 3.14Å; L130-G132 VanDerWaalsContact C-N 3.28Å; L130-G132 PolarHBondContact O-N 3.5Å; L130-I133 PolarHBondContact O-N 3.01Å; L130-V134 WeakPolarHBondContact O-CG2 3.16Å; L130-V134 PolarHBondContact O-N 3.41Å; L130-V134 VanDerWaalsContact O-N 3.1Å
131	E	82.7	Confident	79.2	Confident	69 Å²	69	69.1 Å²	69.1	32%	0.322	36%	0.357	S	S	.	.	H	α-helix	trans	-61.6	-36.1	170	179	159.7	-135.8	0	0	112.1	Y108 D127 V134 N135 R159	Y108-E131 HydrophobicContact CE2-CB 3.96Å; Y108-E131 PolarHBondContact OH-OE1 3.28Å; D127-E131 PolarHBondContact O-N 2.89Å; E131-V134 PolarHBondContact O-N 3.01Å; E131-N135 WeakPolarHBondContact O-CB 3.47Å; E131-N135 PolarHBondContact O-N 3.02Å; E131-N135 PolarHBondContact O-ND2 3.27Å; E131-R159 IonicContact OE1-CZ 2.68Å; E131-R159 IonicContact OE1-NH1 2.98Å; E131-R159 PolarHBondContact OE1-NH1 3.04Å
132	G	82.1	Confident	80.6	Confident	28 Å²	28	66.5 Å²	66.5	29%	0.289	32%	0.324	S	S	.	.	H	α-helix	trans	-60.9	-44.2	175.2	0	0	0	0	0	113.8	Q128 R129 L130 N135 K136	Q128-G132 PolarHBondContact O-N 2.97Å; R129-G132 PolarHBondContact O-N 3.06Å; L130-G132 VanDerWaalsContact C-N 3.28Å; L130-G132 PolarHBondContact O-N 3.5Å; G132-N135 PolarHBondContact O-N 3.28Å; G132-K136 WeakPolarHBondContact O-CG 3.28Å; G132-K136 PolarHBondContact O-N 2.79Å
133	I	81.3	Confident	81.5	Confident	17 Å²	17	66.4 Å²	66.4	9%	0.087	33%	0.328	C	S	.	.	H	α-helix	trans	-64.6	-44.9	174.3	-68.4	174.7	0	0	0	110.5	L82 F88 V90 R129 L130 N135 K136 M137	L82-I133 HydrophobicContact CD2-CD1 3.7Å; F88-I133 HydrophobicContact CD1-CD1 3.87Å; F88-I133 HydrophobicContact CE1-CD1 4.02Å; V90-I133 HydrophobicContact CG2-CG2 4.16Å; R129-I133 PolarHBondContact O-N 3.24Å; L130-I133 PolarHBondContact O-N 3.01Å; I133-N135 VanDerWaalsContact C-N 3.33Å; I133-N135 PolarHBondContact O-N 2.94Å; I133-K136 PolarHBondContact O-N 3.31Å; I133-M137 PolarHBondContact O-N 2.7Å
134	V	84.4	Confident	82	Confident	2 Å²	2	65.5 Å²	65.5	1%	0.012	33%	0.327	C	S	.	.	H	α-helix	trans	-61.6	-40.8	177.9	169.3	0	0	0	0	111.1	I105 Y108 L130 E131 M137 F138	I105-V134 HydrophobicContact CG1-CG2 4.44Å; Y108-V134 HydrophobicContact CD1-CB 4.46Å; Y108-V134 HydrophobicContact CD1-CG1 4.14Å; Y108-V134 HydrophobicContact CD1-CG2 3.91Å; Y108-V134 HydrophobicContact CE1-CB 4.4Å; Y108-V134 HydrophobicContact CE1-CG1 3.87Å; Y108-V134 HydrophobicContact CE1-CG2 4.34Å; Y108-V134 HydrophobicContact CG-CG2 4.03Å; L130-V134 WeakPolarHBondContact O-CG2 3.16Å; L130-V134 PolarHBondContact O-N 3.41Å; L130-V134 VanDerWaalsContact O-N 3.1Å; E131-V134 PolarHBondContact O-N 3.01Å; V134-M137 WeakPolarHBondContact O-CB 3.36Å; V134-M137 PolarHBondContact O-N 2.85Å; V134-F138 HydrophobicContact CG1-CD2 3.74Å; V134-F138 HydrophobicContact CG1-CE2 3.45Å; V134-F138 VanDerWaalsContact CG1-CE2 3.45Å; V134-F138 WeakPolarHBondContact O-CD2 3.43Å; V134-F138 PolarHBondContact O-N 3.1Å
135	N	85.4	Confident	82.5	Confident	59 Å²	59	66.3 Å²	66.3	32%	0.316	33%	0.333	S	S	.	.	H	α-helix	trans	-63.7	-42.9	174.2	-73.1	-23.2	0	0	0	112.8	E131 G132 I133 M137 F138 Q139 R159	E131-N135 WeakPolarHBondContact O-CB 3.47Å; E131-N135 PolarHBondContact O-N 3.02Å; E131-N135 PolarHBondContact O-ND2 3.27Å; G132-N135 PolarHBondContact O-N 3.28Å; I133-N135 VanDerWaalsContact C-N 3.33Å; I133-N135 PolarHBondContact O-N 2.94Å; N135-M137 VanDerWaalsContact C-N 3.28Å; N135-M137 PolarHBondContact O-N 3.3Å; N135-F138 PolarHBondContact O-N 3.36Å; N135-Q139 WeakPolarHBondContact O-CG 3.23Å; N135-Q139 PolarHBondContact O-N 3.09Å; N135-R159 VanDerWaalsContact OD1-CZ 3.3Å; N135-R159 PolarHBondContact OD1-NH1 2.96Å; N135-R159 PolarHBondContact OD1-NH2 2.92Å
136	K	83.3	Confident	83.2	Confident	96 Å²	96	64.7 Å²	64.7	42%	0.417	31%	0.312	S	S	.	.	H	α-helix	trans	-60.6	-38.1	173	-73.4	176.4	179.6	180	0	111.6	V90 G132 I133 Q139 R140	V90-K136 HydrophobicContact CG1-CB 4.47Å; V90-K136 HydrophobicContact CG2-CB 4.29Å; V90-K136 HydrophobicContact CG2-CD 4.06Å; G132-K136 WeakPolarHBondContact O-CG 3.28Å; G132-K136 PolarHBondContact O-N 2.79Å; I133-K136 PolarHBondContact O-N 3.31Å; K136-Q139 PolarHBondContact O-N 2.84Å; K136-R140 PolarHBondContact O-N 3.28Å
137	M	81.8	Confident	83.6	Confident	40 Å²	40	63.5 Å²	63.5	20%	0.197	31%	0.305	C	S	.	.	H	α-helix	trans	-68.3	-40.5	177.3	-166.8	-83	178	0	0	112.2	I101 I105 I133 V134 N135 R140 C141 I153	I101-M137 HydrophobicContact CG2-CG 4.1Å; I105-M137 HydrophobicContact CD1-CE 4.18Å; I105-M137 HydrophobicContact CD1-CG 4.32Å; I105-M137 HydrophobicContact CD1-SD 4.12Å; I133-M137 PolarHBondContact O-N 2.7Å; V134-M137 WeakPolarHBondContact O-CB 3.36Å; V134-M137 PolarHBondContact O-N 2.85Å; N135-M137 VanDerWaalsContact C-N 3.28Å; N135-M137 PolarHBondContact O-N 3.3Å; M137-R140 PolarHBondContact O-N 2.8Å; M137-C141 PolarHBondContact O-N 3.17Å; M137-C141 PolarHBondContact O-SG 3.03Å; M137-C141 VanDerWaalsContact O-SG 3.33Å; M137-C141 VanDerWaalsContact SD-SG 3.67Å; M137-I153 HydrophobicContact CE-CD1 3.63Å; M137-I153 HydrophobicContact SD-CD1 3.76Å
138	F	85	Confident	83.9	Confident	6 Å²	6	66.6 Å²	66.6	3%	0.026	32%	0.315	C	S	.	.	H	α-helix	trans	-60.4	-44.7	171.1	-81.8	-66.5	0	0	0	112.4	V134 N135 R140 C141 L142 A150 I153 A154 V162	V134-F138 HydrophobicContact CG1-CD2 3.74Å; V134-F138 HydrophobicContact CG1-CE2 3.45Å; V134-F138 VanDerWaalsContact CG1-CE2 3.45Å; V134-F138 WeakPolarHBondContact O-CD2 3.43Å; V134-F138 PolarHBondContact O-N 3.1Å; N135-F138 PolarHBondContact O-N 3.36Å; F138-R140 PolarHBondContact O-N 3.09Å; F138-C141 PolarHBondContact O-N 2.81Å; F138-C141 VanDerWaalsContact O-N 3.14Å; F138-L142 WeakPolarHBondContact O-CG 3.35Å; F138-L142 PolarHBondContact O-N 3.44Å; F138-A150 HydrophobicContact CD1-CB 4.42Å; F138-I153 HydrophobicContact CE1-CB 3.87Å; F138-I153 HydrophobicContact CE1-CG2 3.92Å; F138-I153 HydrophobicContact CE2-CG2 4.23Å; F138-I153 HydrophobicContact CZ-CB 3.97Å; F138-I153 HydrophobicContact CZ-CG2 3.56Å; F138-A154 HydrophobicContact CE1-CB 4.01Å; F138-A154 HydrophobicContact CZ-CB 4.21Å; F138-V162 HydrophobicContact CB-CG1 4.31Å; F138-V162 HydrophobicContact CD1-CG1 3.48Å; F138-V162 VanDerWaalsContact CD1-CG1 3.48Å; F138-V162 HydrophobicContact CD2-CG1 4.08Å; F138-V162 HydrophobicContact CE1-CG1 3.64Å; F138-V162 HydrophobicContact CE2-CG1 4.23Å; F138-V162 HydrophobicContact CG-CG1 3.71Å; F138-V162 HydrophobicContact CZ-CG1 4.01Å
139	Q	85	Confident	84.2	Confident	118 Å²	118	63.9 Å²	63.9	55%	0.551	30%	0.303	S	S	*	.	H	α-helix	trans	-57.5	-49.6	174.6	-72.3	176.1	-45.5	0	0	111.3	N135 K136 C141 L142 D143	N135-Q139 WeakPolarHBondContact O-CG 3.23Å; N135-Q139 PolarHBondContact O-N 3.09Å; K136-Q139 PolarHBondContact O-N 2.84Å; Q139-C141 PolarHBondContact O-N 3.24Å; Q139-L142 WeakPolarHBondContact O-CB 3.46Å; Q139-L142 PolarHBondContact O-N 3.43Å; Q139-D143 PolarHBondContact O-N 3.28Å
140	R	83.9	Confident	84.5	Confident	79 Å²	79	58.6 Å²	58.6	30%	0.298	28%	0.282	S	S	.	.	H	α-helix	trans	-55.4	-36.7	174.9	-175.8	175.6	175.5	171.3	0.6	113	V90 N93 K136 M137 F138 D144	V90-R140 PolarHBondContact O-NH1 2.96Å; N93-R140 PolarHBondContact OD1-NH2 3.48Å; K136-R140 PolarHBondContact O-N 3.28Å; M137-R140 PolarHBondContact O-N 2.8Å; F138-R140 PolarHBondContact O-N 3.09Å; R140-D144 VanDerWaalsContact O-CB 3.22Å; R140-D144 WeakPolarHBondContact O-CB 3.28Å; R140-D144 PolarHBondContact O-N 3.37Å
141	C	83.6	Confident	84.8	Confident	7 Å²	7	58.4 Å²	58.4	5%	0.047	28%	0.282	C	S	.	.	H	α-helix	trans	-73.3	-27	176.6	-68.4	0	0	0	0	114.1	M137 F138 Q139 K146 A150	M137-C141 PolarHBondContact O-N 3.17Å; M137-C141 PolarHBondContact O-SG 3.03Å; M137-C141 VanDerWaalsContact O-SG 3.33Å; M137-C141 VanDerWaalsContact SD-SG 3.67Å; F138-C141 PolarHBondContact O-N 2.81Å; F138-C141 VanDerWaalsContact O-N 3.14Å; Q139-C141 PolarHBondContact O-N 3.24Å; C141-K146 PolarHBondContact O-N 3.42Å; C141-A150 HydrophobicContact CB-CB 4.07Å
142	L	84.9	Confident	84.9	Confident	26 Å²	26	56 Å²	56	14%	0.136	28%	0.275	C	S	.	.	H	α-helix	trans	-78.1	-44.1	174.9	-66	161.6	0	0	0	110.4	F138 Q139 D144 H145 Y147 T166	F138-L142 WeakPolarHBondContact O-CG 3.35Å; F138-L142 PolarHBondContact O-N 3.44Å; Q139-L142 WeakPolarHBondContact O-CB 3.46Å; Q139-L142 PolarHBondContact O-N 3.43Å; L142-D144 PolarHBondContact O-N 3.08Å; L142-H145 WeakPolarHBondContact O-CA 3.4Å; L142-H145 PolarHBondContact O-N 3.11Å; L142-Y147 HydrophobicContact CD2-CD1 4.04Å; L142-Y147 HydrophobicContact CD2-CE1 4.04Å; L142-T166 HydrophobicContact CD2-CG2 4.14Å
143	D	86.6	Confident	85	Confident	128 Å²	128	55.6 Å²	55.6	68%	0.684	27%	0.266	S	S	*	.	H	α-helix	trans	-60.7	-40.7	173.5	-65.1	-34.2	0	0	0	112	Q139 H145	Q139-D143 PolarHBondContact O-N 3.28Å; D143-H145 PolarHBondContact O-N 3.32Å
144	D	86.3	Confident	85.2	Confident	74 Å²	74	54.8 Å²	54.8	40%	0.396	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-2.9	172.8	-87.2	-7.8	0	0	0	113.5	R140 L142 K146	R140-D144 VanDerWaalsContact O-CB 3.22Å; R140-D144 WeakPolarHBondContact O-CB 3.28Å; R140-D144 PolarHBondContact O-N 3.37Å; L142-D144 PolarHBondContact O-N 3.08Å; D144-K146 HydrophobicContact CB-CB 4.44Å; D144-K146 HydrophobicContact CB-CD 3.74Å; D144-K146 HydrophobicContact CB-CG 3.94Å; D144-K146 PolarHBondContact O-N 2.9Å; D144-K146 WeakPolarHBondContact OD2-CE 3.37Å; D144-K146 IonicContact OD2-NZ 3.13Å; D144-K146 PolarHBondContact OD2-NZ 3.29Å
145	H	85.6	Confident	85.1	Confident	120 Å²	120	55 Å²	55	56%	0.556	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	27.3	-171.8	-59.8	-52.7	0	0	0	115	L142 D143 Y147	L142-H145 WeakPolarHBondContact O-CA 3.4Å; L142-H145 PolarHBondContact O-N 3.11Å; D143-H145 PolarHBondContact O-N 3.32Å; H145-Y147 VanDerWaalsContact C-N 3.28Å; H145-Y147 HydrophobicContact CB-CD2 4.48Å; H145-Y147 HydrophobicContact CB-CE2 3.78Å; H145-Y147 AromaticContact ND1-CZ 3.85Å; H145-Y147 PolarHBondContact ND1-OH 2.84Å; H145-Y147 VanDerWaalsContact ND1-OH 3.13Å; H145-Y147 WeakPolarHBondContact O-CD2 3.05Å; H145-Y147 PolarHBondContact O-N 3.22Å
146	K	87.3	Confident	84.9	Confident	96 Å²	96	56.9 Å²	56.9	42%	0.417	27%	0.27	S	S	.	.			trans	-90.8	46.5	-177	-69.5	169.8	-168.2	161.7	0	112.5	C141 D144 K148 Q149 A150	C141-K146 PolarHBondContact O-N 3.42Å; D144-K146 HydrophobicContact CB-CB 4.44Å; D144-K146 HydrophobicContact CB-CD 3.74Å; D144-K146 HydrophobicContact CB-CG 3.94Å; D144-K146 PolarHBondContact O-N 2.9Å; D144-K146 WeakPolarHBondContact OD2-CE 3.37Å; D144-K146 IonicContact OD2-NZ 3.13Å; D144-K146 PolarHBondContact OD2-NZ 3.29Å; K146-K148 PolarHBondContact O-N 3.31Å; K146-Q149 HydrophobicContact CB-CB 4.47Å; K146-Q149 PolarHBondContact O-N 3.07Å; K146-A150 PolarHBondContact O-N 3.18Å
147	Y	86.8	Confident	84.9	Confident	28 Å²	28	52.4 Å²	52.4	11%	0.11	25%	0.251	C	S	.	.	H	α-helix	trans	-47.9	-36	-176	-54.3	-81.2	0	0	0	114.5	L142 H145 Q149 A150 I151 T166 E169	L142-Y147 HydrophobicContact CD2-CD1 4.04Å; L142-Y147 HydrophobicContact CD2-CE1 4.04Å; H145-Y147 VanDerWaalsContact C-N 3.28Å; H145-Y147 HydrophobicContact CB-CD2 4.48Å; H145-Y147 HydrophobicContact CB-CE2 3.78Å; H145-Y147 AromaticContact ND1-CZ 3.85Å; H145-Y147 PolarHBondContact ND1-OH 2.84Å; H145-Y147 VanDerWaalsContact ND1-OH 3.13Å; H145-Y147 WeakPolarHBondContact O-CD2 3.05Å; H145-Y147 PolarHBondContact O-N 3.22Å; Y147-Q149 VanDerWaalsContact C-N 3.34Å; Y147-Q149 PolarHBondContact O-N 2.81Å; Y147-A150 PolarHBondContact O-N 3.23Å; Y147-I151 WeakPolarHBondContact O-CB 3.42Å; Y147-I151 VanDerWaalsContact O-CG1 3.31Å; Y147-I151 WeakPolarHBondContact O-CG1 3.3Å; Y147-I151 PolarHBondContact O-N 2.86Å; Y147-T166 HydrophobicContact CD1-CG2 4.2Å; Y147-T166 WeakPolarHBondContact CD1-O 3.26Å; Y147-E169 HydrophobicContact CE1-CB 4.36Å; Y147-E169 WeakPolarHBondContact CE1-O 3.5Å; Y147-E169 VanDerWaalsContact CZ-O 3.26Å; Y147-E169 PolarHBondContact OH-O 3.36Å
148	K	85.8	Confident	84.9	Confident	121 Å²	121	52.8 Å²	52.8	53%	0.526	25%	0.25	S	C	.	.	H	α-helix	trans	-63.7	-34.7	177.3	-67	176.8	-178.3	170.5	0	113.5	K146 G152 M176 Y179	K146-K148 PolarHBondContact O-N 3.31Å; K148-G152 PolarHBondContact O-N 3.11Å; K148-M176 HydrophobicContact CG-CE 4.36Å; K148-M176 HydrophobicContact CG-SD 3.93Å; K148-Y179 HydrophobicContact CB-CE1 3.95Å; K148-Y179 HydrophobicContact CG-CD1 4.2Å; K148-Y179 HydrophobicContact CG-CE1 3.95Å
149	Q	85.9	Confident	84.8	Confident	113 Å²	113	54.3 Å²	54.3	53%	0.528	26%	0.256	S	S	.	.	H	α-helix	trans	-76.4	-43.7	174.5	-69.8	-178.7	-38.7	0	0	110.7	K146 Y147 I151 G152 I153	K146-Q149 HydrophobicContact CB-CB 4.47Å; K146-Q149 PolarHBondContact O-N 3.07Å; Y147-Q149 VanDerWaalsContact C-N 3.34Å; Y147-Q149 PolarHBondContact O-N 2.81Å; Q149-I151 VanDerWaalsContact C-N 3.31Å; Q149-I151 PolarHBondContact O-N 3.13Å; Q149-G152 WeakPolarHBondContact O-CA 3.4Å; Q149-G152 PolarHBondContact O-N 2.84Å; Q149-I153 WeakPolarHBondContact O-CG1 3.37Å; Q149-I153 PolarHBondContact O-N 3.34Å
150	A	85.9	Confident	84.7	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-58.5	-40	175	0	0	0	0	0	112.5	F138 C141 K146 Y147 G152 I153 A154 T166	F138-A150 HydrophobicContact CD1-CB 4.42Å; C141-A150 HydrophobicContact CB-CB 4.07Å; K146-A150 PolarHBondContact O-N 3.18Å; Y147-A150 PolarHBondContact O-N 3.23Å; A150-G152 PolarHBondContact O-N 2.96Å; A150-I153 PolarHBondContact O-N 3.46Å; A150-A154 WeakPolarHBondContact O-CB 3.41Å; A150-A154 PolarHBondContact O-N 2.94Å; A150-T166 HydrophobicContact CB-CG2 3.54Å
151	I	86.3	Confident	84.7	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-60.8	-43.3	172.2	-73	168.3	0	0	0	111.5	Y147 Q149 A154 L155 F163 T166 I167 M176 Y179 L183	Y147-I151 WeakPolarHBondContact O-CB 3.42Å; Y147-I151 VanDerWaalsContact O-CG1 3.31Å; Y147-I151 WeakPolarHBondContact O-CG1 3.3Å; Y147-I151 PolarHBondContact O-N 2.86Å; Q149-I151 VanDerWaalsContact C-N 3.31Å; Q149-I151 PolarHBondContact O-N 3.13Å; I151-A154 PolarHBondContact O-N 3.06Å; I151-L155 HydrophobicContact CG2-CD1 3.93Å; I151-L155 WeakPolarHBondContact O-CB 3.33Å; I151-L155 VanDerWaalsContact O-CG 3.27Å; I151-L155 WeakPolarHBondContact O-CG 3.48Å; I151-L155 PolarHBondContact O-N 3.23Å; I151-F163 HydrophobicContact CG2-CD2 4.36Å; I151-F163 HydrophobicContact CG2-CE2 4.1Å; I151-T166 HydrophobicContact CG1-CG2 3.8Å; I151-I167 HydrophobicContact CD1-CG1 4.38Å; I151-M176 HydrophobicContact CD1-CB 4.07Å; I151-M176 HydrophobicContact CD1-CG 4.29Å; I151-M176 HydrophobicContact CD1-SD 4.12Å; I151-Y179 HydrophobicContact CD1-CD1 4.48Å; I151-L183 HydrophobicContact CG2-CD1 3.91Å
152	G	85	Confident	84.8	Confident	17 Å²	17	53 Å²	53	18%	0.175	26%	0.258	C	S	.	.	H	α-helix	trans	-58.9	-53.9	176.7	0	0	0	0	0	112.1	K148 Q149 A150 A154 L155 E156	K148-G152 PolarHBondContact O-N 3.11Å; Q149-G152 WeakPolarHBondContact O-CA 3.4Å; Q149-G152 PolarHBondContact O-N 2.84Å; A150-G152 PolarHBondContact O-N 2.96Å; G152-A154 VanDerWaalsContact C-N 3.33Å; G152-A154 PolarHBondContact O-N 3.37Å; G152-L155 WeakPolarHBondContact O-CB 3.49Å; G152-L155 PolarHBondContact O-N 3Å; G152-L155 VanDerWaalsContact O-N 3.14Å; G152-E156 WeakPolarHBondContact O-CG 3.39Å; G152-E156 PolarHBondContact O-N 3.32Å
153	I	84.3	Confident	85	Confident	20 Å²	20	51.8 Å²	51.8	10%	0.103	25%	0.252	C	S	.	.	H	α-helix	trans	-66.3	-34.8	-178.6	-54.8	163.5	0	0	0	110.9	I105 M137 F138 Q149 A150 L155 E156 T157	I105-I153 HydrophobicContact CG2-CG2 4.36Å; M137-I153 HydrophobicContact CE-CD1 3.63Å; M137-I153 HydrophobicContact SD-CD1 3.76Å; F138-I153 HydrophobicContact CE1-CB 3.87Å; F138-I153 HydrophobicContact CE1-CG2 3.92Å; F138-I153 HydrophobicContact CE2-CG2 4.23Å; F138-I153 HydrophobicContact CZ-CB 3.97Å; F138-I153 HydrophobicContact CZ-CG2 3.56Å; Q149-I153 WeakPolarHBondContact O-CG1 3.37Å; Q149-I153 PolarHBondContact O-N 3.34Å; A150-I153 PolarHBondContact O-N 3.46Å; I153-L155 VanDerWaalsContact C-N 3.34Å; I153-L155 PolarHBondContact O-N 2.85Å; I153-E156 PolarHBondContact O-N 3.22Å; I153-T157 HydrophobicContact CG2-CG2 4.2Å; I153-T157 WeakPolarHBondContact O-CB 3.1Å; I153-T157 VanDerWaalsContact O-CG2 3.28Å; I153-T157 WeakPolarHBondContact O-CG2 3.21Å; I153-T157 PolarHBondContact O-N 3.05Å; I153-T157 PolarHBondContact O-OG1 3.42Å
154	A	85.8	Confident	85.1	Confident	1 Å²	1	48.8 Å²	48.8	1%	0.008	23%	0.234	C	C	.	.	H	α-helix	trans	-65.3	-36.3	174.9	0	0	0	0	0	112.5	F138 A150 I151 G152 T157 R158 R159 V162 F163	F138-A154 HydrophobicContact CE1-CB 4.01Å; F138-A154 HydrophobicContact CZ-CB 4.21Å; A150-A154 WeakPolarHBondContact O-CB 3.41Å; A150-A154 PolarHBondContact O-N 2.94Å; I151-A154 PolarHBondContact O-N 3.06Å; G152-A154 VanDerWaalsContact C-N 3.33Å; G152-A154 PolarHBondContact O-N 3.37Å; A154-T157 WeakPolarHBondContact CA-OG1 3.17Å; A154-T157 PolarHBondContact O-OG1 2.86Å; A154-R158 PolarHBondContact O-N 3.37Å; A154-R159 PolarHBondContact O-N 3.47Å; A154-V162 HydrophobicContact CB-CG1 4.35Å; A154-F163 HydrophobicContact CB-CB 3.95Å
155	L	83.3	Confident	85.1	Confident	5 Å²	5	51 Å²	51	3%	0.026	24%	0.239	C	C	.	.	H	α-helix	trans	-71.9	-41.7	173.7	-71.3	169	0	0	0	112.2	I151 G152 I153 R158 F163 L183 M188 F193 V197	I151-L155 HydrophobicContact CG2-CD1 3.93Å; I151-L155 WeakPolarHBondContact O-CB 3.33Å; I151-L155 VanDerWaalsContact O-CG 3.27Å; I151-L155 WeakPolarHBondContact O-CG 3.48Å; I151-L155 PolarHBondContact O-N 3.23Å; G152-L155 WeakPolarHBondContact O-CB 3.49Å; G152-L155 PolarHBondContact O-N 3Å; G152-L155 VanDerWaalsContact O-N 3.14Å; I153-L155 VanDerWaalsContact C-N 3.34Å; I153-L155 PolarHBondContact O-N 2.85Å; L155-R158 PolarHBondContact O-N 3.34Å; L155-R158 VanDerWaalsContact O-N 3.12Å; L155-F163 HydrophobicContact CD1-CE2 4.25Å; L155-F163 HydrophobicContact CD2-CD2 3.96Å; L155-F163 HydrophobicContact CD2-CE2 3.81Å; L155-F163 HydrophobicContact CG-CD2 4.02Å; L155-F163 HydrophobicContact CG-CE2 4.03Å; L155-L183 HydrophobicContact CD1-CB 4.05Å; L155-L183 HydrophobicContact CD1-CD1 3.95Å; L155-M188 HydrophobicContact CB-CE 3.83Å; L155-M188 HydrophobicContact CD1-CE 4.38Å; L155-M188 HydrophobicContact CD2-CE 4.36Å; L155-M188 HydrophobicContact CG-CE 4.42Å; L155-F193 HydrophobicContact CD2-CE1 4.31Å; L155-F193 HydrophobicContact CD2-CZ 4.5Å; L155-V197 HydrophobicContact CD2-CG1 4.12Å; L155-V197 HydrophobicContact CD2-CG2 4.12Å
156	E	81.5	Confident	85.1	Confident	100 Å²	100	45.2 Å²	45.2	47%	0.467	21%	0.213	S	C	.	.	H	α-helix	trans	-64.3	-43	176.9	-72.3	164.4	-177.7	0	0	112.1	T109 G152 I153 R158	T109-E156 HydrophobicContact CG2-CB 3.99Å; G152-E156 WeakPolarHBondContact O-CG 3.39Å; G152-E156 PolarHBondContact O-N 3.32Å; I153-E156 PolarHBondContact O-N 3.22Å; E156-R158 PolarHBondContact O-N 2.98Å
157	T	82.3	Confident	85	Confident	2 Å²	2	40.7 Å²	40.7	1%	0.012	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-2.7	173.9	56.9	0	0	0	0	113.6	Y108 T109 I153 A154 R159	Y108-T157 HydrophobicContact CD1-CG2 3.67Å; Y108-T157 HydrophobicContact CE1-CG2 3.67Å; T109-T157 HydrophobicContact CG2-CG2 3.67Å; I153-T157 HydrophobicContact CG2-CG2 4.2Å; I153-T157 WeakPolarHBondContact O-CB 3.1Å; I153-T157 VanDerWaalsContact O-CG2 3.28Å; I153-T157 WeakPolarHBondContact O-CG2 3.21Å; I153-T157 PolarHBondContact O-N 3.05Å; I153-T157 PolarHBondContact O-OG1 3.42Å; A154-T157 WeakPolarHBondContact CA-OG1 3.17Å; A154-T157 PolarHBondContact O-OG1 2.86Å; T157-R159 PolarHBondContact O-N 2.7Å; T157-R159 VanDerWaalsContact O-N 3.15Å
158	R	82.1	Confident	85	Confident	47 Å²	47	44.3 Å²	44.3	18%	0.177	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.7	21.9	-175.6	-60.6	-174.1	-179.4	-171.3	8.7	114.7	A116 D117 A154 L155 E156 F193	A116-R158 VanDerWaalsContact CB-NH1 3.29Å; D117-R158 IonicContact OD1-CZ 2.66Å; D117-R158 IonicContact OD1-NH1 3.47Å; D117-R158 PolarHBondContact OD1-NH1 2.99Å; D117-R158 IonicContact OD1-NH2 3.77Å; D117-R158 PolarHBondContact OD1-NH2 3.38Å; D117-R158 IonicContact OD2-CZ 2.7Å; D117-R158 IonicContact OD2-NH1 3.86Å; D117-R158 IonicContact OD2-NH2 3.15Å; D117-R158 PolarHBondContact OD2-NH2 3.12Å; D117-R158 VanDerWaalsContact OD2-NH2 3.13Å; A154-R158 PolarHBondContact O-N 3.37Å; L155-R158 PolarHBondContact O-N 3.34Å; L155-R158 VanDerWaalsContact O-N 3.12Å; E156-R158 PolarHBondContact O-N 2.98Å; R158-F193 VanDerWaalsContact CA-CZ 3.5Å; R158-F193 HydrophobicContact CB-CD2 4.05Å; R158-F193 HydrophobicContact CB-CE1 4.47Å; R158-F193 HydrophobicContact CB-CE2 3.62Å; R158-F193 HydrophobicContact CB-CZ 3.87Å; R158-F193 HydrophobicContact CG-CD1 4.31Å; R158-F193 HydrophobicContact CG-CD2 4.19Å; R158-F193 HydrophobicContact CG-CE1 4.19Å; R158-F193 HydrophobicContact CG-CE2 4.09Å; R158-F193 HydrophobicContact CG-CG 4.32Å; R158-F193 HydrophobicContact CG-CZ 4.1Å; R158-F193 WeakPolarHBondContact O-CE2 3.33Å
159	R	82.1	Confident	84.9	Confident	39 Å²	39	43.3 Å²	43.3	15%	0.147	21%	0.211	C	C	.	.			trans	-94.2	108.8	-176.3	-67.3	-157.7	-58.3	168.8	6.5	113.1	Y108 E131 N135 A154 T157 F163	Y108-R159 WeakPolarHBondContact OH-CD 3.1Å; E131-R159 IonicContact OE1-CZ 2.68Å; E131-R159 IonicContact OE1-NH1 2.98Å; E131-R159 PolarHBondContact OE1-NH1 3.04Å; N135-R159 VanDerWaalsContact OD1-CZ 3.3Å; N135-R159 PolarHBondContact OD1-NH1 2.96Å; N135-R159 PolarHBondContact OD1-NH2 2.92Å; A154-R159 PolarHBondContact O-N 3.47Å; T157-R159 PolarHBondContact O-N 2.7Å; T157-R159 VanDerWaalsContact O-N 3.15Å; R159-F163 PolarHBondContact O-N 2.72Å
160	L	83.3	Confident	84.6	Confident	40 Å²	40	38.3 Å²	38.3	21%	0.209	19%	0.189	C	C	.	.	H	α-helix	trans	-66.4	-41	-179.1	-59.7	173.7	0	0	0	112.8	V162 F163 E164 F193 K196 V197 V200	L160-V162 VanDerWaalsContact C-N 3.27Å; L160-V162 PolarHBondContact O-N 3.36Å; L160-F163 WeakPolarHBondContact O-CB 3.27Å; L160-F163 PolarHBondContact O-N 3.39Å; L160-F163 VanDerWaalsContact O-N 3.15Å; L160-E164 PolarHBondContact O-N 3.47Å; L160-F193 HydrophobicContact CD2-CE2 4.17Å; L160-K196 HydrophobicContact CD1-CB 4.14Å; L160-K196 HydrophobicContact CD2-CB 4.5Å; L160-V197 HydrophobicContact CD2-CB 4.36Å; L160-V197 HydrophobicContact CD2-CG2 3.72Å; L160-V200 HydrophobicContact CB-CG2 4.33Å; L160-V200 HydrophobicContact CD1-CG2 4.25Å; L160-V200 HydrophobicContact CD2-CG2 4.24Å
161	D	84.9	Confident	84.4	Confident	116 Å²	116	45.3 Å²	45.3	62%	0.62	23%	0.226	S	C	*	.	H	α-helix	trans	-62.2	-34.1	-173.4	-48.8	13.7	0	0	0	112.8	K165	D161-K165 VanDerWaalsContact O-CG 3.3Å; D161-K165 WeakPolarHBondContact O-CG 3.5Å; D161-K165 PolarHBondContact O-N 2.88Å
162	V	85.8	Confident	84.2	Confident	19 Å²	19	49.3 Å²	49.3	12%	0.115	25%	0.247	C	C	.	.	H	α-helix	trans	-84.6	-34.1	178	177.2	0	0	0	0	111	F138 A154 L160 K165 T166	F138-V162 HydrophobicContact CB-CG1 4.31Å; F138-V162 HydrophobicContact CD1-CG1 3.48Å; F138-V162 VanDerWaalsContact CD1-CG1 3.48Å; F138-V162 HydrophobicContact CD2-CG1 4.08Å; F138-V162 HydrophobicContact CE1-CG1 3.64Å; F138-V162 HydrophobicContact CE2-CG1 4.23Å; F138-V162 HydrophobicContact CG-CG1 3.71Å; F138-V162 HydrophobicContact CZ-CG1 4.01Å; A154-V162 HydrophobicContact CB-CG1 4.35Å; L160-V162 VanDerWaalsContact C-N 3.27Å; L160-V162 PolarHBondContact O-N 3.36Å; V162-K165 PolarHBondContact O-N 3.42Å; V162-T166 VanDerWaalsContact O-CB 3.3Å; V162-T166 WeakPolarHBondContact O-CB 3.45Å; V162-T166 PolarHBondContact O-N 3.48Å; V162-T166 PolarHBondContact O-OG1 3.49Å
163	F	88.1	Confident	84.1	Confident	2 Å²	2	50 Å²	50	1%	0.009	25%	0.248	C	C	.	.	H	α-helix	trans	-60.1	-45.6	171.7	174.8	-92.1	0	0	0	111.5	I151 A154 L155 R159 L160 T166 I167 V197 V200 L201	I151-F163 HydrophobicContact CG2-CD2 4.36Å; I151-F163 HydrophobicContact CG2-CE2 4.1Å; A154-F163 HydrophobicContact CB-CB 3.95Å; L155-F163 HydrophobicContact CD1-CE2 4.25Å; L155-F163 HydrophobicContact CD2-CD2 3.96Å; L155-F163 HydrophobicContact CD2-CE2 3.81Å; L155-F163 HydrophobicContact CG-CD2 4.02Å; L155-F163 HydrophobicContact CG-CE2 4.03Å; R159-F163 PolarHBondContact O-N 2.72Å; L160-F163 WeakPolarHBondContact O-CB 3.27Å; L160-F163 PolarHBondContact O-N 3.39Å; L160-F163 VanDerWaalsContact O-N 3.15Å; F163-T166 PolarHBondContact O-N 3.14Å; F163-I167 HydrophobicContact CD1-CD1 3.88Å; F163-I167 HydrophobicContact CE1-CD1 3.5Å; F163-I167 VanDerWaalsContact CE1-CD1 3.5Å; F163-I167 HydrophobicContact CE2-CD1 4.21Å; F163-I167 HydrophobicContact CG-CD1 4.38Å; F163-I167 HydrophobicContact CZ-CD1 3.7Å; F163-I167 WeakPolarHBondContact O-CG1 3.46Å; F163-I167 PolarHBondContact O-N 3.05Å; F163-V197 HydrophobicContact CD1-CG1 4.31Å; F163-V197 HydrophobicContact CE1-CG1 3.63Å; F163-V197 HydrophobicContact CE2-CG1 4.15Å; F163-V197 HydrophobicContact CZ-CG1 3.53Å; F163-V200 HydrophobicContact CD1-CG1 4.48Å; F163-L201 HydrophobicContact CE1-CD1 4.43Å; F163-L201 HydrophobicContact CE1-CD2 3.68Å; F163-L201 HydrophobicContact CE1-CG 3.88Å; F163-L201 HydrophobicContact CZ-CD1 4.13Å; F163-L201 HydrophobicContact CZ-CD2 3.77Å; F163-L201 HydrophobicContact CZ-CG 4.04Å
164	E	87.8	Confident	83.8	Confident	65 Å²	65	53.3 Å²	53.3	30%	0.304	27%	0.271	S	S	.	.	H	α-helix	trans	-62.2	-48.8	176.4	-178.4	160.4	-158.6	0	0	112	L160 T166 I167 L168 V200 I204	L160-E164 PolarHBondContact O-N 3.47Å; E164-T166 PolarHBondContact O-N 2.92Å; E164-I167 PolarHBondContact O-N 3.14Å; E164-L168 HydrophobicContact CG-CD1 4.01Å; E164-L168 WeakPolarHBondContact O-CG 3.3Å; E164-L168 PolarHBondContact O-N 3.41Å; E164-L168 VanDerWaalsContact O-N 3.12Å; E164-V200 HydrophobicContact CB-CG1 4.06Å; E164-V200 HydrophobicContact CG-CG1 4.37Å; E164-I204 HydrophobicContact CB-CD1 4.33Å; E164-I204 HydrophobicContact CG-CD1 4.01Å; E164-I204 HydrophobicContact CG-CG1 4.24Å
165	K	86.5	Confident	83.6	Confident	119 Å²	119	54.5 Å²	54.5	52%	0.517	28%	0.283	S	S	.	.	H	α-helix	trans	-59	-46.1	175.2	-72	172.8	-175.2	179.1	0	113	D161 V162 I167 L168 E169	D161-K165 VanDerWaalsContact O-CG 3.3Å; D161-K165 WeakPolarHBondContact O-CG 3.5Å; D161-K165 PolarHBondContact O-N 2.88Å; V162-K165 PolarHBondContact O-N 3.42Å; K165-I167 PolarHBondContact O-N 3.3Å; K165-L168 PolarHBondContact O-N 3.12Å; K165-L168 VanDerWaalsContact O-N 3.12Å; K165-E169 WeakPolarHBondContact O-CB 3.26Å; K165-E169 WeakPolarHBondContact O-CG 3.48Å; K165-E169 PolarHBondContact O-N 3.02Å
166	T	86.5	Confident	83.6	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-60.2	-31.4	-179	-56.8	0	0	0	0	112.3	L142 Y147 A150 I151 V162 F163 E164	L142-T166 HydrophobicContact CD2-CG2 4.14Å; Y147-T166 HydrophobicContact CD1-CG2 4.2Å; Y147-T166 WeakPolarHBondContact CD1-O 3.26Å; A150-T166 HydrophobicContact CB-CG2 3.54Å; I151-T166 HydrophobicContact CG1-CG2 3.8Å; V162-T166 VanDerWaalsContact O-CB 3.3Å; V162-T166 WeakPolarHBondContact O-CB 3.45Å; V162-T166 PolarHBondContact O-N 3.48Å; V162-T166 PolarHBondContact O-OG1 3.49Å; F163-T166 PolarHBondContact O-N 3.14Å; E164-T166 PolarHBondContact O-N 2.92Å
167	I	85.3	Confident	83.7	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-75.6	-46.6	175.5	-68.3	164.4	0	0	0	110.6	I151 F163 E164 K165 E169 S170 V173 L177 L201 I204	I151-I167 HydrophobicContact CD1-CG1 4.38Å; F163-I167 HydrophobicContact CD1-CD1 3.88Å; F163-I167 HydrophobicContact CE1-CD1 3.5Å; F163-I167 VanDerWaalsContact CE1-CD1 3.5Å; F163-I167 HydrophobicContact CE2-CD1 4.21Å; F163-I167 HydrophobicContact CG-CD1 4.38Å; F163-I167 HydrophobicContact CZ-CD1 3.7Å; F163-I167 WeakPolarHBondContact O-CG1 3.46Å; F163-I167 PolarHBondContact O-N 3.05Å; E164-I167 PolarHBondContact O-N 3.14Å; K165-I167 PolarHBondContact O-N 3.3Å; I167-E169 PolarHBondContact O-N 3.22Å; I167-S170 WeakPolarHBondContact O-CB 3.48Å; I167-S170 PolarHBondContact O-N 3.26Å; I167-S170 PolarHBondContact O-OG 3.27Å; I167-V173 HydrophobicContact CG2-CG1 3.91Å; I167-L177 HydrophobicContact CD1-CD2 4.28Å; I167-L177 HydrophobicContact CG2-CD2 3.81Å; I167-L177 HydrophobicContact CG2-CG 3.96Å; I167-L201 HydrophobicContact CD1-CD2 3.89Å; I167-I204 HydrophobicContact CD1-CD1 4.05Å; I167-I204 HydrophobicContact CG2-CD1 4.43Å; I167-I204 HydrophobicContact CG2-CG2 4.11Å
168	L	85.5	Confident	83.6	Confident	104 Å²	104	52.3 Å²	52.3	55%	0.545	28%	0.281	S	S	.	.	H	α-helix	trans	-67.4	-32.9	-177.8	-67.7	170.6	0	0	0	113.6	E164 K165 S170 I204	E164-L168 HydrophobicContact CG-CD1 4.01Å; E164-L168 WeakPolarHBondContact O-CG 3.3Å; E164-L168 PolarHBondContact O-N 3.41Å; E164-L168 VanDerWaalsContact O-N 3.12Å; K165-L168 PolarHBondContact O-N 3.12Å; K165-L168 VanDerWaalsContact O-N 3.12Å; L168-S170 VanDerWaalsContact C-N 3.25Å; L168-S170 PolarHBondContact O-N 3.15Å; L168-I204 HydrophobicContact CD2-CG2 4.42Å
169	E	84.8	Confident	83.7	Confident	101 Å²	101	54 Å²	54	47%	0.472	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	4.4	178.4	-67.7	173.3	-160.2	0	0	113.3	Y147 K165 I167	Y147-E169 HydrophobicContact CE1-CB 4.36Å; Y147-E169 WeakPolarHBondContact CE1-O 3.5Å; Y147-E169 VanDerWaalsContact CZ-O 3.26Å; Y147-E169 PolarHBondContact OH-O 3.36Å; K165-E169 WeakPolarHBondContact O-CB 3.26Å; K165-E169 WeakPolarHBondContact O-CG 3.48Å; K165-E169 PolarHBondContact O-N 3.02Å; I167-E169 PolarHBondContact O-N 3.22Å
170	S	79.8	Confident	83.8	Confident	8 Å²	8	52.1 Å²	52.1	6%	0.056	28%	0.281	C	S	.	.			trans	-94.7	138	-175.1	76.6	0	0	0	0	114	I167 L168 D172 V173 M176	I167-S170 WeakPolarHBondContact O-CB 3.48Å; I167-S170 PolarHBondContact O-N 3.26Å; I167-S170 PolarHBondContact O-OG 3.27Å; L168-S170 VanDerWaalsContact C-N 3.25Å; L168-S170 PolarHBondContact O-N 3.15Å; S170-D172 PolarHBondContact O-N 3.29Å; S170-D172 VanDerWaalsContact O-N 3.14Å; S170-V173 VanDerWaalsContact O-CG2 3.31Å; S170-V173 WeakPolarHBondContact O-CG2 3.19Å; S170-M176 WeakPolarHBondContact OG-CG 3.49Å
171	N	80.6	Confident	83.7	Confident	147 Å²	147	51 Å²	51	79%	0.786	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-9.3	178.2	-64.5	-21.1	0	0	0	114.3
172	D	82.6	Confident	83.5	Confident	83 Å²	83	52.8 Å²	52.8	44%	0.444	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.2	66	-179.3	175.5	22.7	0	0	0	109.6	S170 G175 M176	S170-D172 PolarHBondContact O-N 3.29Å; S170-D172 VanDerWaalsContact O-N 3.14Å; D172-G175 PolarHBondContact O-N 2.72Å; D172-G175 WeakPolarHBondContact OD1-CA 3.27Å; D172-G175 PolarHBondContact OD1-N 2.89Å; D172-G175 WeakPolarHBondContact OD2-CA 3.5Å; D172-M176 WeakPolarHBondContact O-CG 3.49Å; D172-M176 PolarHBondContact O-N 2.69Å
173	V	82.5	Confident	83.3	Confident	31 Å²	31	53.2 Å²	53.2	19%	0.188	28%	0.279	C	S	.	.	H	α-helix	trans	-54.6	-45.2	179.3	-171.1	0	0	0	0	112.4	I167 S170 G175 M176 L177 L208	I167-V173 HydrophobicContact CG2-CG1 3.91Å; S170-V173 VanDerWaalsContact O-CG2 3.31Å; S170-V173 WeakPolarHBondContact O-CG2 3.19Å; V173-G175 PolarHBondContact O-N 3.49Å; V173-M176 PolarHBondContact O-N 3.15Å; V173-L177 HydrophobicContact CG1-CD1 3.87Å; V173-L177 HydrophobicContact CG1-CG 4.27Å; V173-L177 WeakPolarHBondContact O-CB 3.34Å; V173-L177 VanDerWaalsContact O-CG 3.27Å; V173-L177 WeakPolarHBondContact O-CG 3.44Å; V173-L177 PolarHBondContact O-N 3.39Å; V173-L208 HydrophobicContact CG1-CD2 4.07Å
174	P	79.1	Confident	82.9	Confident	90 Å²	90	53.1 Å²	53.1	58%	0.584	28%	0.279	S	S	*	.	H	α-helix	trans	-64	-42.3	179.2	-21.4	34.7	0	0	0	113.1	L177 A178	P174-L177 PolarHBondContact O-N 2.92Å; P174-A178 PolarHBondContact O-N 3.39Å
175	G	80.7	Confident	82.3	Confident	26 Å²	26	51.8 Å²	51.8	27%	0.268	27%	0.273	S	S	.	.	H	α-helix	trans	-67.1	-37.9	176.6	0	0	0	0	0	112.9	D172 V173 Y179	D172-G175 PolarHBondContact O-N 2.72Å; D172-G175 WeakPolarHBondContact OD1-CA 3.27Å; D172-G175 PolarHBondContact OD1-N 2.89Å; D172-G175 WeakPolarHBondContact OD2-CA 3.5Å; V173-G175 PolarHBondContact O-N 3.49Å; G175-Y179 VanDerWaalsContact O-CB 3.27Å; G175-Y179 WeakPolarHBondContact O-CB 3.22Å; G175-Y179 PolarHBondContact O-N 2.98Å
176	M	84.5	Confident	81.8	Confident	13 Å²	13	50.3 Å²	50.3	6%	0.064	28%	0.277	C	S	.	.	H	α-helix	trans	-68.8	-40	175.8	-70.2	-43.9	102.8	0	0	111.9	K148 I151 S170 D172 V173 Y179 S180	K148-M176 HydrophobicContact CG-CE 4.36Å; K148-M176 HydrophobicContact CG-SD 3.93Å; I151-M176 HydrophobicContact CD1-CB 4.07Å; I151-M176 HydrophobicContact CD1-CG 4.29Å; I151-M176 HydrophobicContact CD1-SD 4.12Å; S170-M176 WeakPolarHBondContact OG-CG 3.49Å; D172-M176 WeakPolarHBondContact O-CG 3.49Å; D172-M176 PolarHBondContact O-N 2.69Å; V173-M176 PolarHBondContact O-N 3.15Å; M176-Y179 PolarHBondContact O-N 2.97Å; M176-S180 WeakPolarHBondContact O-CB 3.41Å; M176-S180 PolarHBondContact O-N 3.07Å; M176-S180 PolarHBondContact O-OG 2.92Å
177	L	83.1	Confident	81.3	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-61	-51.3	175	-75.1	169.1	0	0	0	111.3	I167 V173 P174 Y179 S180 L181 L201 I204 Y205 L208	I167-L177 HydrophobicContact CD1-CD2 4.28Å; I167-L177 HydrophobicContact CG2-CD2 3.81Å; I167-L177 HydrophobicContact CG2-CG 3.96Å; V173-L177 HydrophobicContact CG1-CD1 3.87Å; V173-L177 HydrophobicContact CG1-CG 4.27Å; V173-L177 WeakPolarHBondContact O-CB 3.34Å; V173-L177 VanDerWaalsContact O-CG 3.27Å; V173-L177 WeakPolarHBondContact O-CG 3.44Å; V173-L177 PolarHBondContact O-N 3.39Å; P174-L177 PolarHBondContact O-N 2.92Å; L177-Y179 VanDerWaalsContact C-N 3.32Å; L177-Y179 PolarHBondContact O-N 3.49Å; L177-S180 PolarHBondContact O-N 3.4Å; L177-S180 VanDerWaalsContact O-N 3.14Å; L177-S180 PolarHBondContact O-OG 2.93Å; L177-L181 PolarHBondContact O-N 3.19Å; L177-L201 HydrophobicContact CD2-CD2 3.49Å; L177-L201 VanDerWaalsContact CD2-CD2 3.49Å; L177-I204 HydrophobicContact CD1-CG2 4.35Å; L177-I204 HydrophobicContact CD2-CB 4.38Å; L177-I204 HydrophobicContact CD2-CG2 3.99Å; L177-Y205 HydrophobicContact CB-CE1 4.15Å; L177-Y205 HydrophobicContact CB-CE2 4.09Å; L177-Y205 WeakPolarHBondContact CB-OH 3.38Å; L177-Y205 HydrophobicContact CD1-CD1 3.92Å; L177-Y205 HydrophobicContact CD1-CD2 4.5Å; L177-Y205 HydrophobicContact CD1-CE1 3.76Å; L177-Y205 HydrophobicContact CD1-CE2 4.34Å; L177-Y205 HydrophobicContact CD1-CG 4.3Å; L177-Y205 HydrophobicContact CD2-CD2 4.35Å; L177-Y205 HydrophobicContact CD2-CE2 4.1Å; L177-Y205 HydrophobicContact CG-CE1 4.49Å; L177-Y205 HydrophobicContact CG-CE2 4.42Å; L177-L208 HydrophobicContact CD1-CD1 3.92Å
178	A	79.3	Confident	80.6	Confident	48 Å²	48	56.1 Å²	56.1	40%	0.397	31%	0.307	S	S	.	.	H	α-helix	trans	-61.6	-37.1	177.3	0	0	0	0	0	113	P174 K182	P174-A178 PolarHBondContact O-N 3.39Å; A178-K182 PolarHBondContact O-N 3.15Å
179	Y	84.2	Confident	79.9	Confident	83 Å²	83	55.9 Å²	55.9	33%	0.325	30%	0.303	S	S	.	.	H	α-helix	trans	-64.7	-44.5	173.2	177.2	-116.8	0	0	0	112	K148 I151 G175 M176 L177 K182 L183	K148-Y179 HydrophobicContact CB-CE1 3.95Å; K148-Y179 HydrophobicContact CG-CD1 4.2Å; K148-Y179 HydrophobicContact CG-CE1 3.95Å; I151-Y179 HydrophobicContact CD1-CD1 4.48Å; G175-Y179 VanDerWaalsContact O-CB 3.27Å; G175-Y179 WeakPolarHBondContact O-CB 3.22Å; G175-Y179 PolarHBondContact O-N 2.98Å; M176-Y179 PolarHBondContact O-N 2.97Å; L177-Y179 VanDerWaalsContact C-N 3.32Å; L177-Y179 PolarHBondContact O-N 3.49Å; Y179-K182 WeakPolarHBondContact O-CB 3.36Å; Y179-K182 PolarHBondContact O-N 2.87Å; Y179-L183 HydrophobicContact CD1-CD1 4.16Å; Y179-L183 HydrophobicContact CE1-CD1 3.62Å; Y179-L183 HydrophobicContact CE1-CG 4.37Å; Y179-L183 HydrophobicContact CE2-CD1 4.33Å; Y179-L183 HydrophobicContact CE2-CD2 4.38Å; Y179-L183 HydrophobicContact CE2-CG 4.25Å; Y179-L183 PolarHBondContact O-N 3.19Å
180	S	85.3	Confident	79.5	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-65.2	-38.8	179.6	77.1	0	0	0	0	112.6	M176 L177 L183 C184 L201	M176-S180 WeakPolarHBondContact O-CB 3.41Å; M176-S180 PolarHBondContact O-N 3.07Å; M176-S180 PolarHBondContact O-OG 2.92Å; L177-S180 PolarHBondContact O-N 3.4Å; L177-S180 VanDerWaalsContact O-N 3.14Å; L177-S180 PolarHBondContact O-OG 2.93Å; S180-L183 PolarHBondContact O-N 3.21Å; S180-C184 WeakPolarHBondContact O-CB 3.41Å; S180-C184 PolarHBondContact O-N 2.71Å; S180-C184 PolarHBondContact O-SG 2.9Å; S180-L201 WeakPolarHBondContact OG-CD2 3.45Å
181	L	80.4	Confident	79.3	Confident	17 Å²	17	54.2 Å²	54.2	9%	0.089	30%	0.295	C	S	.	.	H	α-helix	trans	-60.7	-45.4	172.1	-74.2	175.9	0	0	0	111.5	L177 L183 C184 M185 L198 L201 Y205 N215 C219	L177-L181 PolarHBondContact O-N 3.19Å; L181-L183 VanDerWaalsContact C-N 3.33Å; L181-L183 PolarHBondContact O-N 2.92Å; L181-C184 PolarHBondContact O-N 3.18Å; L181-M185 WeakPolarHBondContact O-CG 3.46Å; L181-M185 PolarHBondContact O-N 3.17Å; L181-L198 HydrophobicContact CD2-CD2 3.68Å; L181-L201 HydrophobicContact CD2-CD1 3.58Å; L181-L201 HydrophobicContact CG-CD1 4.17Å; L181-Y205 HydrophobicContact CD1-CE2 3.94Å; L181-Y205 WeakPolarHBondContact CD1-OH 3.46Å; L181-N215 HydrophobicContact CD1-CB 4.01Å; L181-C219 WeakPolarHBondContact CD2-SG 3.43Å
182	K	80.4	Confident	79.4	Confident	153 Å²	153	53.2 Å²	53.2	67%	0.665	29%	0.286	S	S	*	.	H	α-helix	trans	-59.1	-44.2	176.8	-172.1	177.5	179.3	-179.1	0	111.6	A178 Y179 M185 S186	A178-K182 PolarHBondContact O-N 3.15Å; Y179-K182 WeakPolarHBondContact O-CB 3.36Å; Y179-K182 PolarHBondContact O-N 2.87Å; K182-M185 PolarHBondContact O-N 2.68Å; K182-S186 PolarHBondContact O-N 3.19Å; K182-S186 PolarHBondContact O-OG 2.99Å; K182-S186 VanDerWaalsContact O-OG 3.08Å
183	L	82.3	Confident	79.4	Confident	28 Å²	28	50 Å²	50	15%	0.147	27%	0.268	C	S	.	.	H	α-helix	trans	-62.5	-44	174.1	-69.5	178.9	0	0	0	112.2	I151 L155 Y179 S180 L181 M185 S186 L187	I151-L183 HydrophobicContact CG2-CD1 3.91Å; L155-L183 HydrophobicContact CD1-CB 4.05Å; L155-L183 HydrophobicContact CD1-CD1 3.95Å; Y179-L183 HydrophobicContact CD1-CD1 4.16Å; Y179-L183 HydrophobicContact CE1-CD1 3.62Å; Y179-L183 HydrophobicContact CE1-CG 4.37Å; Y179-L183 HydrophobicContact CE2-CD1 4.33Å; Y179-L183 HydrophobicContact CE2-CD2 4.38Å; Y179-L183 HydrophobicContact CE2-CG 4.25Å; Y179-L183 PolarHBondContact O-N 3.19Å; S180-L183 PolarHBondContact O-N 3.21Å; L181-L183 VanDerWaalsContact C-N 3.33Å; L181-L183 PolarHBondContact O-N 2.92Å; L183-M185 PolarHBondContact O-N 3.26Å; L183-S186 PolarHBondContact O-N 3.13Å; L183-L187 WeakPolarHBondContact O-CB 3.4Å; L183-L187 PolarHBondContact O-N 3.13Å
184	C	79.9	Confident	79.4	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-60.7	-28.5	176.9	-68.8	0	0	0	0	112.9	S180 L181 M188 R194 V197	S180-C184 WeakPolarHBondContact O-CB 3.41Å; S180-C184 PolarHBondContact O-N 2.71Å; S180-C184 PolarHBondContact O-SG 2.9Å; L181-C184 PolarHBondContact O-N 3.18Å; C184-M188 WeakPolarHBondContact O-CB 3.26Å; C184-R194 HydrophobicContact CB-CG 4.48Å; C184-R194 VanDerWaalsContact O-CD 3.22Å; C184-R194 WeakPolarHBondContact O-CD 3.43Å; C184-V197 VanDerWaalsContact SG-CG1 3.53Å
185	M	75	Confident	79.7	Confident	37 Å²	37	46.2 Å²	46.2	18%	0.182	24%	0.24	C	C	.	.	H	α-helix	trans	-91.2	-22.4	179.9	-69.6	-55.5	-59.7	0	0	114.6	L181 K182 L183 F222 R628	L181-M185 WeakPolarHBondContact O-CG 3.46Å; L181-M185 PolarHBondContact O-N 3.17Å; K182-M185 PolarHBondContact O-N 2.68Å; L183-M185 PolarHBondContact O-N 3.26Å; M185-F222 HydrophobicContact CE-CD1 4.03Å; M185-F222 HydrophobicContact CE-CD2 4.4Å; M185-F222 HydrophobicContact CE-CE1 3.38Å; M185-F222 HydrophobicContact CE-CE2 3.84Å; M185-F222 HydrophobicContact CE-CZ 3.3Å; M185-F222 HydrophobicContact SD-CD1 4.24Å; M185-F222 HydrophobicContact SD-CD2 3.9Å; M185-F222 HydrophobicContact SD-CE1 4.09Å; M185-F222 HydrophobicContact SD-CE2 3.77Å; M185-F222 HydrophobicContact SD-CG 4.17Å; M185-F222 HydrophobicContact SD-CZ 3.88Å; M185-R628 PolarHBondContact O-NH1 2.65Å
186	S	75.7	Confident	80	Confident	87 Å²	87	49.8 Å²	49.8	61%	0.608	25%	0.248	S	C	*	.	H	α-helix	trans	-104.3	-32.1	-179.3	67.4	0	0	0	0	115.1	K182 L183	K182-S186 PolarHBondContact O-N 3.19Å; K182-S186 PolarHBondContact O-OG 2.99Å; K182-S186 VanDerWaalsContact O-OG 3.08Å; L183-S186 PolarHBondContact O-N 3.13Å
187	L	75.8	Confident	80.2	Confident	93 Å²	93	49.1 Å²	49.1	49%	0.487	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	-31	-171.1	-169.9	64.4	0	0	0	113	L183 Q189	L183-L187 WeakPolarHBondContact O-CB 3.4Å; L183-L187 PolarHBondContact O-N 3.13Å; L187-Q189 PolarHBondContact O-N 2.72Å
188	M	71.4	Confident	80.3	Confident	29 Å²	29	49.2 Å²	49.2	14%	0.143	25%	0.245	C	C	.	.			trans	-83	100.3	-172.6	-60.7	-63.7	128.4	0	0	112.7	L155 C184 F193 R194	L155-M188 HydrophobicContact CB-CE 3.83Å; L155-M188 HydrophobicContact CD1-CE 4.38Å; L155-M188 HydrophobicContact CD2-CE 4.36Å; L155-M188 HydrophobicContact CG-CE 4.42Å; C184-M188 WeakPolarHBondContact O-CB 3.26Å; M188-F193 HydrophobicContact SD-CD1 3.66Å; M188-F193 HydrophobicContact SD-CE1 3.66Å; M188-R194 HydrophobicContact CB-CB 4.09Å; M188-R194 HydrophobicContact CB-CG 4.19Å
189	Q	70.9	Confident	80.7	Confident	100 Å²	100	52.2 Å²	52.2	47%	0.467	25%	0.246	S	C	.	.			trans	-75	-35.6	176.2	-62.4	-176.4	3.4	0	0	113	L187 K191	L187-Q189 PolarHBondContact O-N 2.72Å; Q189-K191 PolarHBondContact O-N 2.73Å
190	N	76.1	Confident	80.9	Confident	33 Å²	33	49 Å²	49	18%	0.176	24%	0.235	C	C	.	.			trans	-80.6	117.8	179.9	179.9	-37.8	0	0	0	111.2	D117 Q192 F193 R194	D117-N190 PolarHBondContact OD1-ND2 3.18Å; N190-Q192 WeakPolarHBondContact OD1-CA 3.46Å; N190-Q192 WeakPolarHBondContact OD1-CB 3.46Å; N190-Q192 PolarHBondContact OD1-N 3Å; N190-F193 PolarHBondContact OD1-N 2.61Å; N190-F193 VanDerWaalsContact OD1-N 3.1Å; N190-R194 WeakPolarHBondContact O-CB 3.4Å; N190-R194 PolarHBondContact O-N 3.03Å; N190-R194 VanDerWaalsContact O-N 3.1Å
191	K	75.9	Confident	80.9	Confident	41 Å²	41	49 Å²	49	18%	0.178	24%	0.235	C	C	.	.	H	α-helix	trans	-62.9	-40.5	179.8	-174.9	177	179.7	-179.9	0	113	Q189 R194 N195 G558 M560 E562	Q189-K191 PolarHBondContact O-N 2.73Å; K191-R194 PolarHBondContact O-N 2.94Å; K191-N195 WeakPolarHBondContact O-CB 3.36Å; K191-N195 PolarHBondContact O-N 3.47Å; K191-N195 PolarHBondContact O-OD1 3.22Å; K191-N195 VanDerWaalsContact O-OD1 3.07Å; K191-G558 PolarHBondContact NZ-O 2.84Å; K191-M560 HydrophobicContact CB-SD 4.02Å; K191-M560 HydrophobicContact CD-SD 4.34Å; K191-E562 IonicContact NZ-OE1 3.25Å
192	Q	81.4	Confident	81.1	Confident	125 Å²	125	48.8 Å²	48.8	58%	0.584	24%	0.235	S	C	*	.	H	α-helix	trans	-66.8	-43.2	-177.5	-166.4	-171.2	18.5	0	0	111.5	N190 K196	N190-Q192 WeakPolarHBondContact OD1-CA 3.46Å; N190-Q192 WeakPolarHBondContact OD1-CB 3.46Å; N190-Q192 PolarHBondContact OD1-N 3Å; Q192-K196 WeakPolarHBondContact O-CG 3.23Å; Q192-K196 PolarHBondContact O-N 3.49Å
193	F	82.5	Confident	81.4	Confident	17 Å²	17	47.8 Å²	47.8	8%	0.075	23%	0.23	C	C	.	.	H	α-helix	trans	-67.7	-45.6	175	-179.5	-113.6	0	0	0	111.6	L155 R158 L160 M188 N190 N195 K196 V197	L155-F193 HydrophobicContact CD2-CE1 4.31Å; L155-F193 HydrophobicContact CD2-CZ 4.5Å; R158-F193 VanDerWaalsContact CA-CZ 3.5Å; R158-F193 HydrophobicContact CB-CD2 4.05Å; R158-F193 HydrophobicContact CB-CE1 4.47Å; R158-F193 HydrophobicContact CB-CE2 3.62Å; R158-F193 HydrophobicContact CB-CZ 3.87Å; R158-F193 HydrophobicContact CG-CD1 4.31Å; R158-F193 HydrophobicContact CG-CD2 4.19Å; R158-F193 HydrophobicContact CG-CE1 4.19Å; R158-F193 HydrophobicContact CG-CE2 4.09Å; R158-F193 HydrophobicContact CG-CG 4.32Å; R158-F193 HydrophobicContact CG-CZ 4.1Å; R158-F193 WeakPolarHBondContact O-CE2 3.33Å; L160-F193 HydrophobicContact CD2-CE2 4.17Å; M188-F193 HydrophobicContact SD-CD1 3.66Å; M188-F193 HydrophobicContact SD-CE1 3.66Å; N190-F193 PolarHBondContact OD1-N 2.61Å; N190-F193 VanDerWaalsContact OD1-N 3.1Å; F193-N195 VanDerWaalsContact C-N 3.29Å; F193-N195 PolarHBondContact O-N 2.91Å; F193-K196 WeakPolarHBondContact O-CA 3.28Å; F193-K196 WeakPolarHBondContact O-CB 3.44Å; F193-K196 PolarHBondContact O-N 3.03Å; F193-V197 HydrophobicContact CD1-CG2 4.22Å; F193-V197 HydrophobicContact CD2-CG2 4.36Å; F193-V197 HydrophobicContact CE1-CG2 3.65Å; F193-V197 HydrophobicContact CE2-CG2 3.79Å; F193-V197 HydrophobicContact CZ-CG2 3.38Å; F193-V197 PolarHBondContact O-N 2.84Å
194	R	84.3	Confident	81.5	Confident	24 Å²	24	46.6 Å²	46.6	9%	0.091	22%	0.224	C	C	.	.	H	α-helix	trans	-54.8	-44.3	176.3	-169.2	-175.4	67.3	-145.6	3.1	112	C184 M188 N190 K191 K196 V197 L198	C184-R194 HydrophobicContact CB-CG 4.48Å; C184-R194 VanDerWaalsContact O-CD 3.22Å; C184-R194 WeakPolarHBondContact O-CD 3.43Å; M188-R194 HydrophobicContact CB-CB 4.09Å; M188-R194 HydrophobicContact CB-CG 4.19Å; N190-R194 WeakPolarHBondContact O-CB 3.4Å; N190-R194 PolarHBondContact O-N 3.03Å; N190-R194 VanDerWaalsContact O-N 3.1Å; K191-R194 PolarHBondContact O-N 2.94Å; R194-K196 VanDerWaalsContact C-N 3.3Å; R194-K196 PolarHBondContact O-N 3.13Å; R194-V197 PolarHBondContact O-N 3.23Å; R194-L198 HydrophobicContact CG-CD1 3.94Å; R194-L198 HydrophobicContact CG-CG 4.39Å; R194-L198 WeakPolarHBondContact O-CB 3.41Å; R194-L198 WeakPolarHBondContact O-CG 3.48Å; R194-L198 PolarHBondContact O-N 2.87Å
195	N	85.3	Confident	81.6	Confident	17 Å²	17	46.8 Å²	46.8	9%	0.091	23%	0.225	C	C	.	.	H	α-helix	trans	-70.9	-22.5	179.1	-72.1	35.2	0	0	0	113	K191 F193 R199 F222	K191-N195 WeakPolarHBondContact O-CB 3.36Å; K191-N195 PolarHBondContact O-N 3.47Å; K191-N195 PolarHBondContact O-OD1 3.22Å; K191-N195 VanDerWaalsContact O-OD1 3.07Å; F193-N195 VanDerWaalsContact C-N 3.29Å; F193-N195 PolarHBondContact O-N 2.91Å; N195-R199 WeakPolarHBondContact O-CG 3.36Å; N195-R199 PolarHBondContact O-N 3.03Å; N195-F222 PolarHBondContact ND2-O 3.08Å
196	K	86.4	Confident	82	Confident	100 Å²	100	49.1 Å²	49.1	44%	0.435	24%	0.236	S	C	.	.	H	α-helix	trans	-70.4	-47.6	167	-72	177.3	179.6	179.4	0	111.4	L160 Q192 F193 R194 R199 V200	L160-K196 HydrophobicContact CD1-CB 4.14Å; L160-K196 HydrophobicContact CD2-CB 4.5Å; Q192-K196 WeakPolarHBondContact O-CG 3.23Å; Q192-K196 PolarHBondContact O-N 3.49Å; F193-K196 WeakPolarHBondContact O-CA 3.28Å; F193-K196 WeakPolarHBondContact O-CB 3.44Å; F193-K196 PolarHBondContact O-N 3.03Å; R194-K196 VanDerWaalsContact C-N 3.3Å; R194-K196 PolarHBondContact O-N 3.13Å; K196-R199 PolarHBondContact O-N 3.4Å; K196-V200 PolarHBondContact O-N 3.3Å
197	V	88.2	Confident	82.4	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-63	-45.5	179.5	-177.5	0	0	0	0	111.5	L155 L160 F163 C184 F193 R194 R199 V200 L201	L155-V197 HydrophobicContact CD2-CG1 4.12Å; L155-V197 HydrophobicContact CD2-CG2 4.12Å; L160-V197 HydrophobicContact CD2-CB 4.36Å; L160-V197 HydrophobicContact CD2-CG2 3.72Å; F163-V197 HydrophobicContact CD1-CG1 4.31Å; F163-V197 HydrophobicContact CE1-CG1 3.63Å; F163-V197 HydrophobicContact CE2-CG1 4.15Å; F163-V197 HydrophobicContact CZ-CG1 3.53Å; C184-V197 VanDerWaalsContact SG-CG1 3.53Å; F193-V197 HydrophobicContact CD1-CG2 4.22Å; F193-V197 HydrophobicContact CD2-CG2 4.36Å; F193-V197 HydrophobicContact CE1-CG2 3.65Å; F193-V197 HydrophobicContact CE2-CG2 3.79Å; F193-V197 HydrophobicContact CZ-CG2 3.38Å; F193-V197 PolarHBondContact O-N 2.84Å; R194-V197 PolarHBondContact O-N 3.23Å; V197-R199 VanDerWaalsContact C-N 3.28Å; V197-R199 PolarHBondContact O-N 3.48Å; V197-V200 WeakPolarHBondContact O-CB 3.02Å; V197-V200 PolarHBondContact O-N 3.1Å; V197-L201 HydrophobicContact CG1-CD1 4.2Å; V197-L201 PolarHBondContact O-N 2.94Å
198	L	86.4	Confident	82.6	Confident	1 Å²	1	49.2 Å²	49.2	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-61.2	-34.4	177.9	-71.1	169.2	0	0	0	112.5	L181 R194 V200 L201 V202 C219 F222 L223	L181-L198 HydrophobicContact CD2-CD2 3.68Å; R194-L198 HydrophobicContact CG-CD1 3.94Å; R194-L198 HydrophobicContact CG-CG 4.39Å; R194-L198 WeakPolarHBondContact O-CB 3.41Å; R194-L198 WeakPolarHBondContact O-CG 3.48Å; R194-L198 PolarHBondContact O-N 2.87Å; L198-V200 VanDerWaalsContact C-N 3.34Å; L198-L201 HydrophobicContact CD2-CD1 4.42Å; L198-L201 PolarHBondContact O-N 3.23Å; L198-V202 WeakPolarHBondContact O-CG2 3.31Å; L198-V202 PolarHBondContact O-N 2.67Å; L198-C219 HydrophobicContact CD2-CB 4.38Å; L198-F222 HydrophobicContact CD1-CB 3.71Å; L198-L223 HydrophobicContact CB-CD1 3.34Å; L198-L223 HydrophobicContact CD1-CD1 4.06Å; L198-L223 HydrophobicContact CG-CD1 4.36Å
199	R	87.4	Confident	82.7	Confident	112 Å²	112	57.3 Å²	57.3	42%	0.423	27%	0.268	S	S	.	.	H	α-helix	trans	-66.5	-31.9	172.9	-79.8	176.5	179.1	131.9	2.1	113.4	N195 K196 V197 K203 L223 D225	N195-R199 WeakPolarHBondContact O-CG 3.36Å; N195-R199 PolarHBondContact O-N 3.03Å; K196-R199 PolarHBondContact O-N 3.4Å; V197-R199 VanDerWaalsContact C-N 3.28Å; V197-R199 PolarHBondContact O-N 3.48Å; R199-K203 WeakPolarHBondContact O-CG 3.45Å; R199-L223 HydrophobicContact CG-CD1 4.28Å; R199-L223 HydrophobicContact CG-CD2 3.52Å; R199-L223 HydrophobicContact CG-CG 3.93Å; R199-D225 IonicContact CZ-OD2 2.94Å; R199-D225 IonicContact NE-OD2 2.72Å; R199-D225 PolarHBondContact NE-OD2 2.87Å; R199-D225 IonicContact NH2-OD1 3.81Å; R199-D225 PolarHBondContact NH2-OD1 3.08Å; R199-D225 IonicContact NH2-OD2 3.79Å; R199-D225 PolarHBondContact NH2-OD2 3.1Å
200	V	87.6	Confident	82.7	Confident	14 Å²	14	61.1 Å²	61.1	9%	0.085	28%	0.283	C	S	.	.	H	α-helix	trans	-71.6	-44.3	172.3	175.1	0	0	0	0	110.1	L160 F163 E164 K196 V197 L198 V202 K203 I204	L160-V200 HydrophobicContact CB-CG2 4.33Å; L160-V200 HydrophobicContact CD1-CG2 4.25Å; L160-V200 HydrophobicContact CD2-CG2 4.24Å; F163-V200 HydrophobicContact CD1-CG1 4.48Å; E164-V200 HydrophobicContact CB-CG1 4.06Å; E164-V200 HydrophobicContact CG-CG1 4.37Å; K196-V200 PolarHBondContact O-N 3.3Å; V197-V200 WeakPolarHBondContact O-CB 3.02Å; V197-V200 PolarHBondContact O-N 3.1Å; L198-V200 VanDerWaalsContact C-N 3.34Å; V200-V202 PolarHBondContact O-N 3.45Å; V200-K203 WeakPolarHBondContact O-CB 3.16Å; V200-K203 PolarHBondContact O-N 2.9Å; V200-K203 VanDerWaalsContact O-N 3.13Å; V200-I204 HydrophobicContact CG1-CD1 3.9Å; V200-I204 HydrophobicContact CG1-CG1 4.43Å; V200-I204 WeakPolarHBondContact O-CG1 3.43Å; V200-I204 PolarHBondContact O-N 3.46Å
201	L	85.7	Confident	82.5	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-59	-44.2	177.4	-70.8	171.1	0	0	0	112.7	F163 I167 L177 S180 L181 V197 L198 K203 I204 Y205	F163-L201 HydrophobicContact CE1-CD1 4.43Å; F163-L201 HydrophobicContact CE1-CD2 3.68Å; F163-L201 HydrophobicContact CE1-CG 3.88Å; F163-L201 HydrophobicContact CZ-CD1 4.13Å; F163-L201 HydrophobicContact CZ-CD2 3.77Å; F163-L201 HydrophobicContact CZ-CG 4.04Å; I167-L201 HydrophobicContact CD1-CD2 3.89Å; L177-L201 HydrophobicContact CD2-CD2 3.49Å; L177-L201 VanDerWaalsContact CD2-CD2 3.49Å; S180-L201 WeakPolarHBondContact OG-CD2 3.45Å; L181-L201 HydrophobicContact CD2-CD1 3.58Å; L181-L201 HydrophobicContact CG-CD1 4.17Å; V197-L201 HydrophobicContact CG1-CD1 4.2Å; V197-L201 PolarHBondContact O-N 2.94Å; L198-L201 HydrophobicContact CD2-CD1 4.42Å; L198-L201 PolarHBondContact O-N 3.23Å; L201-K203 VanDerWaalsContact C-N 3.3Å; L201-K203 PolarHBondContact O-N 3.23Å; L201-I204 PolarHBondContact O-N 3.28Å; L201-Y205 VanDerWaalsContact O-CD2 3.26Å; L201-Y205 WeakPolarHBondContact O-CD2 3.33Å; L201-Y205 PolarHBondContact O-N 3.2Å
202	V	85.4	Confident	82.4	Confident	14 Å²	14	62 Å²	62	9%	0.085	29%	0.291	C	S	.	.	H	α-helix	trans	-56	-43.2	175	168.6	0	0	0	0	111.9	L198 V200 Y205 M206 V216 C219 L220	L198-V202 WeakPolarHBondContact O-CG2 3.31Å; L198-V202 PolarHBondContact O-N 2.67Å; V200-V202 PolarHBondContact O-N 3.45Å; V202-Y205 PolarHBondContact O-N 2.89Å; V202-M206 HydrophobicContact CG1-CE 4.27Å; V202-M206 HydrophobicContact CG1-SD 4.31Å; V202-M206 WeakPolarHBondContact O-CG 3.33Å; V202-M206 PolarHBondContact O-N 3.49Å; V202-V216 HydrophobicContact CG1-CG1 4.21Å; V202-C219 HydrophobicContact CG2-CB 3.36Å; V202-L220 HydrophobicContact CG2-CG 4.41Å
203	K	85.6	Confident	81.9	Confident	131 Å²	131	57.2 Å²	57.2	57%	0.57	27%	0.268	S	S	*	.	H	α-helix	trans	-63.8	-45.4	176.7	-68.5	174.5	179.6	-175.2	0	112.1	R199 V200 L201 M206 N207	R199-K203 WeakPolarHBondContact O-CG 3.45Å; V200-K203 WeakPolarHBondContact O-CB 3.16Å; V200-K203 PolarHBondContact O-N 2.9Å; V200-K203 VanDerWaalsContact O-N 3.13Å; L201-K203 VanDerWaalsContact C-N 3.3Å; L201-K203 PolarHBondContact O-N 3.23Å; K203-M206 PolarHBondContact O-N 2.87Å; K203-N207 VanDerWaalsContact O-CG 3.24Å; K203-N207 PolarHBondContact O-N 3.43Å; K203-N207 VanDerWaalsContact O-N 3.14Å; K203-N207 PolarHBondContact O-ND2 3.33Å
204	I	85.2	Confident	81.5	Confident	3 Å²	3	58.4 Å²	58.4	2%	0.015	28%	0.275	C	S	.	.	H	α-helix	trans	-61	-48.4	178.6	-61.8	166	0	0	0	109.8	E164 I167 L168 L177 V200 L201 M206 N207 L208	E164-I204 HydrophobicContact CB-CD1 4.33Å; E164-I204 HydrophobicContact CG-CD1 4.01Å; E164-I204 HydrophobicContact CG-CG1 4.24Å; I167-I204 HydrophobicContact CD1-CD1 4.05Å; I167-I204 HydrophobicContact CG2-CD1 4.43Å; I167-I204 HydrophobicContact CG2-CG2 4.11Å; L168-I204 HydrophobicContact CD2-CG2 4.42Å; L177-I204 HydrophobicContact CD1-CG2 4.35Å; L177-I204 HydrophobicContact CD2-CB 4.38Å; L177-I204 HydrophobicContact CD2-CG2 3.99Å; V200-I204 HydrophobicContact CG1-CD1 3.9Å; V200-I204 HydrophobicContact CG1-CG1 4.43Å; V200-I204 WeakPolarHBondContact O-CG1 3.43Å; V200-I204 PolarHBondContact O-N 3.46Å; L201-I204 PolarHBondContact O-N 3.28Å; I204-M206 VanDerWaalsContact C-N 3.32Å; I204-M206 PolarHBondContact O-N 2.88Å; I204-N207 PolarHBondContact O-N 3.49Å; I204-N207 VanDerWaalsContact O-N 3.09Å; I204-L208 PolarHBondContact O-N 3.36Å
205	Y	82.5	Confident	81.2	Confident	4 Å²	4	58.7 Å²	58.7	2%	0.016	28%	0.278	C	S	.	.	H	α-helix	trans	-59.1	-38.4	177.1	-86.3	-71.2	0	0	0	113.3	L177 L181 L201 V202 N207 L208 P211 D212 N215 V216	L177-Y205 HydrophobicContact CB-CE1 4.15Å; L177-Y205 HydrophobicContact CB-CE2 4.09Å; L177-Y205 WeakPolarHBondContact CB-OH 3.38Å; L177-Y205 HydrophobicContact CD1-CD1 3.92Å; L177-Y205 HydrophobicContact CD1-CD2 4.5Å; L177-Y205 HydrophobicContact CD1-CE1 3.76Å; L177-Y205 HydrophobicContact CD1-CE2 4.34Å; L177-Y205 HydrophobicContact CD1-CG 4.3Å; L177-Y205 HydrophobicContact CD2-CD2 4.35Å; L177-Y205 HydrophobicContact CD2-CE2 4.1Å; L177-Y205 HydrophobicContact CG-CE1 4.49Å; L177-Y205 HydrophobicContact CG-CE2 4.42Å; L181-Y205 HydrophobicContact CD1-CE2 3.94Å; L181-Y205 WeakPolarHBondContact CD1-OH 3.46Å; L201-Y205 VanDerWaalsContact O-CD2 3.26Å; L201-Y205 WeakPolarHBondContact O-CD2 3.33Å; L201-Y205 PolarHBondContact O-N 3.2Å; V202-Y205 PolarHBondContact O-N 2.89Å; Y205-N207 VanDerWaalsContact C-N 3.29Å; Y205-N207 PolarHBondContact O-N 2.88Å; Y205-L208 HydrophobicContact CD1-CD1 4.14Å; Y205-L208 PolarHBondContact O-N 3.35Å; Y205-P211 WeakPolarHBondContact O-CA 3.33Å; Y205-P211 WeakPolarHBondContact O-CB 3.44Å; Y205-D212 HydrophobicContact CD1-CB 3.88Å; Y205-D212 HydrophobicContact CE1-CB 3.8Å; Y205-N215 HydrophobicContact CE1-CB 3.77Å; Y205-N215 HydrophobicContact CE2-CB 3.91Å; Y205-N215 VanDerWaalsContact CZ-CB 3.41Å; Y205-N215 WeakPolarHBondContact OH-CB 3.33Å; Y205-N215 VanDerWaalsContact OH-CG 3.32Å; Y205-N215 PolarHBondContact OH-ND2 2.97Å; Y205-V216 HydrophobicContact CD2-CG2 4.42Å; Y205-V216 HydrophobicContact CG-CG2 3.96Å
206	M	81.5	Confident	80.9	Confident	86 Å²	86	57.9 Å²	57.9	42%	0.424	27%	0.274	S	S	.	.	H	α-helix	trans	-67.8	-26.5	176	-78.6	-176.4	167.1	0	0	113.7	V202 K203 I204 I232	V202-M206 HydrophobicContact CG1-CE 4.27Å; V202-M206 HydrophobicContact CG1-SD 4.31Å; V202-M206 WeakPolarHBondContact O-CG 3.33Å; V202-M206 PolarHBondContact O-N 3.49Å; K203-M206 PolarHBondContact O-N 2.87Å; I204-M206 VanDerWaalsContact C-N 3.32Å; I204-M206 PolarHBondContact O-N 2.88Å; M206-I232 HydrophobicContact CE-CD1 3.57Å; M206-I232 HydrophobicContact CE-CG1 3.67Å
207	N	85.1	Confident	80.2	Confident	134 Å²	134	53.3 Å²	53.3	72%	0.717	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-2.3	-178.7	-68.7	-17.7	0	0	0	113.6	K203 I204 Y205	K203-N207 VanDerWaalsContact O-CG 3.24Å; K203-N207 PolarHBondContact O-N 3.43Å; K203-N207 VanDerWaalsContact O-N 3.14Å; K203-N207 PolarHBondContact O-ND2 3.33Å; I204-N207 PolarHBondContact O-N 3.49Å; I204-N207 VanDerWaalsContact O-N 3.09Å; Y205-N207 VanDerWaalsContact C-N 3.29Å; Y205-N207 PolarHBondContact O-N 2.88Å
208	L	79.8	Confident	79.7	Confident	49 Å²	49	55 Å²	55	26%	0.257	26%	0.263	S	S	.	.	S	Bend	trans	-75.2	149.2	175.5	-60.8	178.9	0	0	0	111.6	V173 L177 I204 Y205 K210 P211	V173-L208 HydrophobicContact CG1-CD2 4.07Å; L177-L208 HydrophobicContact CD1-CD1 3.92Å; I204-L208 PolarHBondContact O-N 3.36Å; Y205-L208 HydrophobicContact CD1-CD1 4.14Å; Y205-L208 PolarHBondContact O-N 3.35Å; L208-K210 PolarHBondContact O-N 2.94Å; L208-P211 WeakPolarHBondContact O-CD 3.3Å
209	E	72.6	Confident	79.4	Confident	199 Å²	199	55 Å²	55	93%	0.93	26%	0.263	S	S	*	.	S	Bend	trans	-54.4	-27.8	175.1	-60.1	-175.3	164	0	0	113.6
210	K	71.4	Confident	79.1	Confident	180 Å²	180	49.9 Å²	49.9	78%	0.783	24%	0.244	S	C	*	.	S	Bend	trans	-135	97.2	172.8	-66.5	-179.8	-176.6	174	0	108	L208 D212	L208-K210 PolarHBondContact O-N 2.94Å; K210-D212 PolarHBondContact O-N 3.02Å
211	P	71.9	Confident	78.8	Confident	32 Å²	32	49.6 Å²	49.6	21%	0.208	24%	0.241	C	C	.	.			trans	-63.3	132.8	178.8	-22.9	34.1	0	0	0	111.3	Y205 L208 F213	Y205-P211 WeakPolarHBondContact O-CA 3.33Å; Y205-P211 WeakPolarHBondContact O-CB 3.44Å; L208-P211 WeakPolarHBondContact O-CD 3.3Å; P211-F213 HydrophobicContact CB-CD2 4.19Å; P211-F213 HydrophobicContact CB-CE1 4.21Å; P211-F213 HydrophobicContact CB-CE2 3.77Å; P211-F213 HydrophobicContact CB-CZ 3.79Å; P211-F213 HydrophobicContact CG-CE2 4.26Å; P211-F213 HydrophobicContact CG-CZ 4.09Å; P211-F213 WeakPolarHBondContact O-CD2 3.3Å; P211-F213 WeakPolarHBondContact O-CE2 3.38Å; P211-F213 PolarHBondContact O-N 3.41Å
212	D	74.3	Confident	78.4	Confident	61 Å²	61	50.8 Å²	50.8	33%	0.326	25%	0.247	S	C	.	.			trans	-87.4	87.5	171.9	-178.3	-10.1	0	0	0	109.5	Y205 K210 I214 N215 V216	Y205-D212 HydrophobicContact CD1-CB 3.88Å; Y205-D212 HydrophobicContact CE1-CB 3.8Å; K210-D212 PolarHBondContact O-N 3.02Å; D212-I214 PolarHBondContact O-N 3.42Å; D212-I214 WeakPolarHBondContact OD1-CB 3.41Å; D212-I214 PolarHBondContact OD1-N 3.05Å; D212-I214 VanDerWaalsContact OD1-N 3.15Å; D212-N215 PolarHBondContact O-N 2.97Å; D212-N215 PolarHBondContact OD1-N 3.16Å; D212-N215 PolarHBondContact OD2-ND2 3.25Å; D212-V216 WeakPolarHBondContact O-CG2 3.49Å; D212-V216 PolarHBondContact O-N 3.33Å
213	F	71.6	Confident	78.3	Confident	23 Å²	23	50.6 Å²	50.6	10%	0.101	25%	0.245	C	C	.	.	H	α-helix	trans	-63.6	-22.8	-177	-61.5	-88.4	0	0	0	113.6	P211 C217 I232 L236 M244 I248	P211-F213 HydrophobicContact CB-CD2 4.19Å; P211-F213 HydrophobicContact CB-CE1 4.21Å; P211-F213 HydrophobicContact CB-CE2 3.77Å; P211-F213 HydrophobicContact CB-CZ 3.79Å; P211-F213 HydrophobicContact CG-CE2 4.26Å; P211-F213 HydrophobicContact CG-CZ 4.09Å; P211-F213 WeakPolarHBondContact O-CD2 3.3Å; P211-F213 WeakPolarHBondContact O-CE2 3.38Å; P211-F213 PolarHBondContact O-N 3.41Å; F213-C217 WeakPolarHBondContact O-CB 3.29Å; F213-C217 PolarHBondContact O-N 3.37Å; F213-C217 PolarHBondContact O-SG 3.26Å; F213-I232 HydrophobicContact CD1-CG2 3.56Å; F213-I232 HydrophobicContact CE1-CG2 3.92Å; F213-L236 HydrophobicContact CD1-CD1 4.09Å; F213-L236 HydrophobicContact CD2-CD2 4.4Å; F213-L236 HydrophobicContact CE1-CD1 4.29Å; F213-L236 HydrophobicContact CE1-CD2 4.17Å; F213-L236 HydrophobicContact CE1-CG 4.27Å; F213-L236 HydrophobicContact CE2-CD2 3.92Å; F213-L236 HydrophobicContact CG-CD1 4.27Å; F213-L236 HydrophobicContact CZ-CD2 3.78Å; F213-L236 HydrophobicContact CZ-CG 4.37Å; F213-M244 HydrophobicContact CB-SD 4.42Å; F213-M244 HydrophobicContact CD2-CE 4.23Å; F213-M244 HydrophobicContact CD2-CG 4.45Å; F213-M244 HydrophobicContact CD2-SD 3.2Å; F213-M244 WeakPolarHBondContact CD2-SD 3.44Å; F213-M244 HydrophobicContact CE2-SD 3.56Å; F213-M244 VanDerWaalsContact CE2-SD 3.56Å; F213-M244 HydrophobicContact CG-SD 4.02Å; F213-I248 HydrophobicContact CB-CD1 3.61Å; F213-I248 HydrophobicContact CB-CG1 4.31Å; F213-I248 HydrophobicContact CG-CD1 4.32Å
214	I	74	Confident	78.1	Confident	43 Å²	43	47.8 Å²	47.8	22%	0.221	24%	0.237	C	C	.	.	H	α-helix	trans	-66.8	-49.6	176.8	-62.5	173.4	0	0	0	109.3	D212 C217 Q218 K865	D212-I214 PolarHBondContact O-N 3.42Å; D212-I214 WeakPolarHBondContact OD1-CB 3.41Å; D212-I214 PolarHBondContact OD1-N 3.05Å; D212-I214 VanDerWaalsContact OD1-N 3.15Å; I214-C217 PolarHBondContact O-N 3.41Å; I214-Q218 WeakPolarHBondContact O-CG 3.46Å; I214-Q218 PolarHBondContact O-N 3.21Å; I214-K865 HydrophobicContact CD1-CD 4.07Å; I214-K865 HydrophobicContact CD1-CG 4.14Å
215	N	77.7	Confident	78.1	Confident	29 Å²	29	50.2 Å²	50.2	16%	0.155	25%	0.25	C	C	.	.	H	α-helix	trans	-67.8	-36	177.2	-81.7	-47	0	0	0	112.2	L181 Y205 D212 Q218 C219	L181-N215 HydrophobicContact CD1-CB 4.01Å; Y205-N215 HydrophobicContact CE1-CB 3.77Å; Y205-N215 HydrophobicContact CE2-CB 3.91Å; Y205-N215 VanDerWaalsContact CZ-CB 3.41Å; Y205-N215 WeakPolarHBondContact OH-CB 3.33Å; Y205-N215 VanDerWaalsContact OH-CG 3.32Å; Y205-N215 PolarHBondContact OH-ND2 2.97Å; D212-N215 PolarHBondContact O-N 2.97Å; D212-N215 PolarHBondContact OD1-N 3.16Å; D212-N215 PolarHBondContact OD2-ND2 3.25Å; N215-Q218 PolarHBondContact O-N 3.21Å; N215-C219 PolarHBondContact O-N 3.28Å; N215-C219 PolarHBondContact O-SG 3.48Å
216	V	78.3	Confident	78.3	Confident	1 Å²	1	51.2 Å²	51.2	1%	0.006	26%	0.257	C	S	.	.	H	α-helix	trans	-61.4	-46.8	173	172.2	0	0	0	0	111.8	V202 Y205 D212 C219 L220 I232	V202-V216 HydrophobicContact CG1-CG1 4.21Å; Y205-V216 HydrophobicContact CD2-CG2 4.42Å; Y205-V216 HydrophobicContact CG-CG2 3.96Å; D212-V216 WeakPolarHBondContact O-CG2 3.49Å; D212-V216 PolarHBondContact O-N 3.33Å; V216-C219 WeakPolarHBondContact O-CB 3.27Å; V216-C219 PolarHBondContact O-N 3.38Å; V216-L220 HydrophobicContact CG1-CD1 3.72Å; V216-L220 HydrophobicContact CG1-CG 4.4Å; V216-L220 WeakPolarHBondContact O-CG 3.38Å; V216-L220 PolarHBondContact O-N 3.14Å; V216-I232 HydrophobicContact CG1-CD1 3.58Å
217	C	73.1	Confident	78.6	Confident	4 Å²	4	52.4 Å²	52.4	3%	0.027	26%	0.261	C	S	.	.	H	α-helix	trans	-67.5	-36.3	179.5	-69.7	0	0	0	0	112.2	F213 I214 C219 L220 I221 I248	F213-C217 WeakPolarHBondContact O-CB 3.29Å; F213-C217 PolarHBondContact O-N 3.37Å; F213-C217 PolarHBondContact O-SG 3.26Å; I214-C217 PolarHBondContact O-N 3.41Å; C217-C219 VanDerWaalsContact C-N 3.34Å; C217-C219 PolarHBondContact O-N 3.26Å; C217-L220 PolarHBondContact O-N 3.27Å; C217-I221 VanDerWaalsContact O-CG1 3.28Å; C217-I221 WeakPolarHBondContact O-CG1 3.37Å; C217-I221 PolarHBondContact O-N 3.41Å; C217-I248 HydrophobicContact CB-CG2 4.33Å; C217-I248 WeakPolarHBondContact SG-CG2 3.47Å
218	Q	75.9	Confident	78.6	Confident	36 Å²	36	47.5 Å²	47.5	17%	0.168	24%	0.239	C	C	.	.	H	α-helix	trans	-58.1	-45.2	169.4	-72.6	178	27.2	0	0	111.8	I214 N215 L220 I221 F222 T713	I214-Q218 WeakPolarHBondContact O-CG 3.46Å; I214-Q218 PolarHBondContact O-N 3.21Å; N215-Q218 PolarHBondContact O-N 3.21Å; Q218-L220 PolarHBondContact O-N 3.15Å; Q218-I221 PolarHBondContact O-N 3.32Å; Q218-F222 WeakPolarHBondContact O-CD2 3.37Å; Q218-F222 PolarHBondContact O-N 2.88Å; Q218-T713 HydrophobicContact CG-CG2 4.3Å
219	C	80	Confident	78.9	Confident	1 Å²	1	45.1 Å²	45.1	1%	0.007	23%	0.227	C	C	.	.	H	α-helix	trans	-59.3	-47.1	175	-63.6	0	0	0	0	111.9	L181 L198 V202 N215 V216 C217 I221 F222 L223	L181-C219 WeakPolarHBondContact CD2-SG 3.43Å; L198-C219 HydrophobicContact CD2-CB 4.38Å; V202-C219 HydrophobicContact CG2-CB 3.36Å; N215-C219 PolarHBondContact O-N 3.28Å; N215-C219 PolarHBondContact O-SG 3.48Å; V216-C219 WeakPolarHBondContact O-CB 3.27Å; V216-C219 PolarHBondContact O-N 3.38Å; C217-C219 VanDerWaalsContact C-N 3.34Å; C217-C219 PolarHBondContact O-N 3.26Å; C219-I221 VanDerWaalsContact C-N 3.31Å; C219-I221 PolarHBondContact O-N 3.48Å; C219-F222 CarbonylContact O-C 3.53Å; C219-F222 PolarHBondContact O-N 3.31Å; C219-L223 WeakPolarHBondContact O-CD1 3.46Å; C219-L223 PolarHBondContact O-N 2.92Å
220	L	81.3	Confident	79.4	Confident	4 Å²	4	35.9 Å²	35.9	2%	0.021	18%	0.184	C	C	.	.	H	α-helix	trans	-63.8	-34	-177.1	-73	166	0	0	0	113	V202 V216 C217 Q218 L223 D224 D225 A228 V229 I232	V202-L220 HydrophobicContact CG2-CG 4.41Å; V216-L220 HydrophobicContact CG1-CD1 3.72Å; V216-L220 HydrophobicContact CG1-CG 4.4Å; V216-L220 WeakPolarHBondContact O-CG 3.38Å; V216-L220 PolarHBondContact O-N 3.14Å; C217-L220 PolarHBondContact O-N 3.27Å; Q218-L220 PolarHBondContact O-N 3.15Å; L220-L223 HydrophobicContact CD2-CD2 4.05Å; L220-L223 WeakPolarHBondContact O-CB 3.47Å; L220-L223 PolarHBondContact O-N 2.66Å; L220-D224 PolarHBondContact O-N 2.67Å; L220-D225 HydrophobicContact CD2-CB 4.33Å; L220-D225 PolarHBondContact O-N 2.83Å; L220-A228 HydrophobicContact CD1-CB 4.43Å; L220-A228 HydrophobicContact CD2-CB 3.81Å; L220-V229 HydrophobicContact CB-CG2 3.61Å; L220-V229 HydrophobicContact CD1-CG2 3.61Å; L220-V229 HydrophobicContact CG-CG2 4.16Å; L220-I232 HydrophobicContact CD1-CD1 3.44Å; L220-I232 VanDerWaalsContact CD1-CD1 3.44Å
221	I	81.6	Confident	80.1	Confident	7 Å²	7	31.8 Å²	31.8	4%	0.036	17%	0.17	C	C	.	.	H	α-helix	trans	-62.3	-40.7	170.5	-65.6	165.1	0	0	0	111.1	C217 Q218 C219 L223 D224 L252 A256	C217-I221 VanDerWaalsContact O-CG1 3.28Å; C217-I221 WeakPolarHBondContact O-CG1 3.37Å; C217-I221 PolarHBondContact O-N 3.41Å; Q218-I221 PolarHBondContact O-N 3.32Å; C219-I221 VanDerWaalsContact C-N 3.31Å; C219-I221 PolarHBondContact O-N 3.48Å; I221-L223 VanDerWaalsContact C-N 3.29Å; I221-L223 PolarHBondContact O-N 2.94Å; I221-D224 PolarHBondContact O-N 3.5Å; I221-L252 HydrophobicContact CD1-CD2 4.08Å; I221-L252 HydrophobicContact CG1-CD2 4.04Å; I221-A256 HydrophobicContact CD1-CB 4.32Å; I221-A256 HydrophobicContact CG1-CB 4.15Å; I221-A256 HydrophobicContact CG2-CB 4.48Å
222	F	78.9	Confident	80.7	Confident	25 Å²	25	30.6 Å²	30.6	11%	0.11	16%	0.162	C	C	.	.	H	α-helix	trans	-76.5	-14.2	177.2	-65.9	-60.1	0	0	0	114.2	M185 N195 L198 Q218 C219 H715	M185-F222 HydrophobicContact CE-CD1 4.03Å; M185-F222 HydrophobicContact CE-CD2 4.4Å; M185-F222 HydrophobicContact CE-CE1 3.38Å; M185-F222 HydrophobicContact CE-CE2 3.84Å; M185-F222 HydrophobicContact CE-CZ 3.3Å; M185-F222 HydrophobicContact SD-CD1 4.24Å; M185-F222 HydrophobicContact SD-CD2 3.9Å; M185-F222 HydrophobicContact SD-CE1 4.09Å; M185-F222 HydrophobicContact SD-CE2 3.77Å; M185-F222 HydrophobicContact SD-CG 4.17Å; M185-F222 HydrophobicContact SD-CZ 3.88Å; N195-F222 PolarHBondContact ND2-O 3.08Å; L198-F222 HydrophobicContact CD1-CB 3.71Å; Q218-F222 WeakPolarHBondContact O-CD2 3.37Å; Q218-F222 PolarHBondContact O-N 2.88Å; C219-F222 CarbonylContact O-C 3.53Å; C219-F222 PolarHBondContact O-N 3.31Å; F222-H715 AromaticContact CD1-ND1 3.51Å; F222-H715 HydrophobicContact CE1-CB 3.99Å; F222-H715 AromaticContact CE1-CE1 4Å; F222-H715 AromaticContact CE1-CG 3.84Å; F222-H715 AromaticContact CE1-ND1 3.06Å; F222-H715 WeakPolarHBondContact CE1-ND1 3.31Å; F222-H715 HydrophobicContact CZ-CB 3.89Å; F222-H715 AromaticContact CZ-ND1 3.76Å
223	L	82.3	Confident	81.1	Confident	10 Å²	10	27.7 Å²	27.7	5%	0.052	15%	0.147	C	C	.	.	H	α-helix	trans	-82.7	-23	173.1	-99.5	51.9	0	0	0	113.2	L198 R199 C219 L220 I221 D225	L198-L223 HydrophobicContact CB-CD1 3.34Å; L198-L223 HydrophobicContact CD1-CD1 4.06Å; L198-L223 HydrophobicContact CG-CD1 4.36Å; R199-L223 HydrophobicContact CG-CD1 4.28Å; R199-L223 HydrophobicContact CG-CD2 3.52Å; R199-L223 HydrophobicContact CG-CG 3.93Å; C219-L223 WeakPolarHBondContact O-CD1 3.46Å; C219-L223 PolarHBondContact O-N 2.92Å; L220-L223 HydrophobicContact CD2-CD2 4.05Å; L220-L223 WeakPolarHBondContact O-CB 3.47Å; L220-L223 PolarHBondContact O-N 2.66Å; I221-L223 VanDerWaalsContact C-N 3.29Å; I221-L223 PolarHBondContact O-N 2.94Å; L223-D225 HydrophobicContact CB-CB 4Å; L223-D225 WeakPolarHBondContact CB-OD2 3.38Å; L223-D225 WeakPolarHBondContact CD2-OD2 3.43Å
224	D	82.4	Confident	81.7	Confident	73 Å²	73	29.8 Å²	29.8	39%	0.39	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	30.7	-163.3	-65.2	-45.3	0	0	0	113	L220 I221 P226 R559	L220-D224 PolarHBondContact O-N 2.67Å; I221-D224 PolarHBondContact O-N 3.5Å; D224-P226 WeakPolarHBondContact O-CD 3.45Å; D224-R559 IonicContact OD2-NH1 3.13Å
225	D	85.2	Confident	82.1	Confident	54 Å²	54	32.7 Å²	32.7	29%	0.289	17%	0.168	S	C	.	.			trans	-102.8	85.1	-176.6	-76	-37.2	0	0	0	112.4	R199 L220 L223	R199-D225 IonicContact CZ-OD2 2.94Å; R199-D225 IonicContact NE-OD2 2.72Å; R199-D225 PolarHBondContact NE-OD2 2.87Å; R199-D225 IonicContact NH2-OD1 3.81Å; R199-D225 PolarHBondContact NH2-OD1 3.08Å; R199-D225 IonicContact NH2-OD2 3.79Å; R199-D225 PolarHBondContact NH2-OD2 3.1Å; L220-D225 HydrophobicContact CD2-CB 4.33Å; L220-D225 PolarHBondContact O-N 2.83Å; L223-D225 HydrophobicContact CB-CB 4Å; L223-D225 WeakPolarHBondContact CB-OD2 3.38Å; L223-D225 WeakPolarHBondContact CD2-OD2 3.43Å
226	P	85.9	Confident	82.4	Confident	25 Å²	25	31.3 Å²	31.3	16%	0.162	16%	0.161	C	C	.	.	H	α-helix	trans	-74.8	-26.7	-171.9	29	-37.4	0	0	0	115.2	D224 A228 V229 S230 F260 V264	D224-P226 WeakPolarHBondContact O-CD 3.45Å; P226-A228 PolarHBondContact O-N 3.1Å; P226-V229 PolarHBondContact O-N 3.03Å; P226-V229 VanDerWaalsContact O-N 3.16Å; P226-S230 PolarHBondContact O-N 3.35Å; P226-S230 PolarHBondContact O-OG 3.14Å; P226-F260 HydrophobicContact CB-CD2 4.1Å; P226-F260 HydrophobicContact CB-CE1 4.5Å; P226-F260 HydrophobicContact CB-CE2 3.85Å; P226-F260 HydrophobicContact CB-CZ 4.06Å; P226-V264 HydrophobicContact CB-CG2 3.74Å
227	Q	86.7	Confident	82.6	Confident	110 Å²	110	32.4 Å²	32.4	51%	0.514	17%	0.167	S	C	.	.	H	α-helix	trans	-60.4	-47.8	-177.5	-63.1	-59.9	-26.2	0	0	111.3	V229 S230 D231 N267	Q227-V229 PolarHBondContact O-N 3.31Å; Q227-S230 WeakPolarHBondContact CA-OG 3.36Å; Q227-S230 PolarHBondContact O-N 3.16Å; Q227-S230 PolarHBondContact O-OG 2.97Å; Q227-D231 PolarHBondContact O-N 3.26Å; Q227-N267 PolarHBondContact NE2-ND2 3.09Å; Q227-N267 VanDerWaalsContact NE2-ND2 3.11Å; Q227-N267 PolarHBondContact NE2-OD1 3.36Å; Q227-N267 PolarHBondContact OE1-ND2 3.04Å; Q227-N267 VanDerWaalsContact OE1-ND2 3.12Å
228	A	85.3	Confident	83.1	Confident	31 Å²	31	38.9 Å²	38.9	26%	0.256	20%	0.195	S	C	.	.	H	α-helix	trans	-63.5	-25.5	178	0	0	0	0	0	113.4	L220 P226 I232	L220-A228 HydrophobicContact CD1-CB 4.43Å; L220-A228 HydrophobicContact CD2-CB 3.81Å; P226-A228 PolarHBondContact O-N 3.1Å; A228-I232 VanDerWaalsContact O-CD1 3.28Å; A228-I232 WeakPolarHBondContact O-CD1 3.31Å; A228-I232 WeakPolarHBondContact O-CG1 3.39Å; A228-I232 PolarHBondContact O-N 3.29Å; A228-I232 VanDerWaalsContact O-N 3.15Å
229	V	85.9	Confident	83.4	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-71.7	-43.9	171.4	172.8	0	0	0	0	111	L220 P226 Q227 D231 I232 L233 L252 F260 V264	L220-V229 HydrophobicContact CB-CG2 3.61Å; L220-V229 HydrophobicContact CD1-CG2 3.61Å; L220-V229 HydrophobicContact CG-CG2 4.16Å; P226-V229 PolarHBondContact O-N 3.03Å; P226-V229 VanDerWaalsContact O-N 3.16Å; Q227-V229 PolarHBondContact O-N 3.31Å; V229-D231 VanDerWaalsContact C-N 3.33Å; V229-D231 PolarHBondContact O-N 3.14Å; V229-I232 PolarHBondContact O-N 3.19Å; V229-L233 HydrophobicContact CG1-CD1 4.03Å; V229-L233 HydrophobicContact CG1-CG 4.4Å; V229-L233 WeakPolarHBondContact O-CB 3.43Å; V229-L233 WeakPolarHBondContact O-CG 3.45Å; V229-L233 PolarHBondContact O-N 3.21Å; V229-L252 HydrophobicContact CG1-CD1 3.63Å; V229-L252 HydrophobicContact CG1-CD2 4.09Å; V229-F260 HydrophobicContact CB-CE1 4.45Å; V229-F260 HydrophobicContact CB-CZ 4.34Å; V229-F260 HydrophobicContact CG2-CE1 4.1Å; V229-F260 HydrophobicContact CG2-CZ 3.73Å; V229-V264 HydrophobicContact CB-CG2 4.35Å; V229-V264 HydrophobicContact CG1-CG1 4.34Å; V229-V264 HydrophobicContact CG1-CG2 4.26Å
230	S	84.6	Confident	83.4	Confident	4 Å²	4	47 Å²	47	3%	0.028	24%	0.237	C	C	.	.	H	α-helix	trans	-60.9	-40.4	173.4	27.6	0	0	0	0	112.2	P226 Q227 I232 L233 E234 N267	P226-S230 PolarHBondContact O-N 3.35Å; P226-S230 PolarHBondContact O-OG 3.14Å; Q227-S230 WeakPolarHBondContact CA-OG 3.36Å; Q227-S230 PolarHBondContact O-N 3.16Å; Q227-S230 PolarHBondContact O-OG 2.97Å; S230-I232 PolarHBondContact O-N 2.86Å; S230-L233 PolarHBondContact O-N 2.95Å; S230-E234 WeakPolarHBondContact O-CB 3.44Å; S230-E234 PolarHBondContact O-N 2.78Å; S230-N267 WeakPolarHBondContact OG-CB 3.5Å; S230-N267 PolarHBondContact OG-ND2 3.47Å; S230-N267 VanDerWaalsContact OG-ND2 3.1Å
231	D	85.6	Confident	83.4	Confident	94 Å²	94	50.3 Å²	50.3	50%	0.503	25%	0.254	S	S	.	.	H	α-helix	trans	-63.2	-41.6	178	-57.1	-25.6	0	0	0	112.2	Q227 V229 K235	Q227-D231 PolarHBondContact O-N 3.26Å; V229-D231 VanDerWaalsContact C-N 3.33Å; V229-D231 PolarHBondContact O-N 3.14Å; D231-K235 WeakPolarHBondContact O-CB 3.25Å; D231-K235 PolarHBondContact O-N 2.79Å
232	I	83.8	Confident	83.3	Confident	7 Å²	7	50.7 Å²	50.7	4%	0.036	26%	0.256	C	S	.	.	H	α-helix	trans	-64	-47.1	174.9	-73.3	164.3	0	0	0	111.2	M206 F213 V216 L220 A228 V229 S230 E234 K235 L236	M206-I232 HydrophobicContact CE-CD1 3.57Å; M206-I232 HydrophobicContact CE-CG1 3.67Å; F213-I232 HydrophobicContact CD1-CG2 3.56Å; F213-I232 HydrophobicContact CE1-CG2 3.92Å; V216-I232 HydrophobicContact CG1-CD1 3.58Å; L220-I232 HydrophobicContact CD1-CD1 3.44Å; L220-I232 VanDerWaalsContact CD1-CD1 3.44Å; A228-I232 VanDerWaalsContact O-CD1 3.28Å; A228-I232 WeakPolarHBondContact O-CD1 3.31Å; A228-I232 WeakPolarHBondContact O-CG1 3.39Å; A228-I232 PolarHBondContact O-N 3.29Å; A228-I232 VanDerWaalsContact O-N 3.15Å; V229-I232 PolarHBondContact O-N 3.19Å; S230-I232 PolarHBondContact O-N 2.86Å; I232-E234 VanDerWaalsContact C-N 3.34Å; I232-K235 PolarHBondContact O-N 3.4Å; I232-L236 HydrophobicContact CG2-CD1 4.07Å; I232-L236 WeakPolarHBondContact O-CG 3.47Å; I232-L236 PolarHBondContact O-N 3.37Å
233	L	83.3	Confident	83.4	Confident	0 Å²	0	51 Å²	51	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-63.5	-41.1	-180	-75.2	178.5	0	0	0	111.3	V229 S230 L236 V237 A245 I248 L252 V264 L268 M325	V229-L233 HydrophobicContact CG1-CD1 4.03Å; V229-L233 HydrophobicContact CG1-CG 4.4Å; V229-L233 WeakPolarHBondContact O-CB 3.43Å; V229-L233 WeakPolarHBondContact O-CG 3.45Å; V229-L233 PolarHBondContact O-N 3.21Å; S230-L233 PolarHBondContact O-N 2.95Å; L233-L236 PolarHBondContact O-N 3.45Å; L233-V237 WeakPolarHBondContact O-CG2 3.5Å; L233-V237 PolarHBondContact O-N 3.08Å; L233-A245 HydrophobicContact CD2-CB 4.41Å; L233-I248 HydrophobicContact CD2-CB 4.14Å; L233-I248 HydrophobicContact CD2-CG2 3.73Å; L233-L252 HydrophobicContact CD1-CD1 4.23Å; L233-V264 HydrophobicContact CD1-CG1 4.31Å; L233-L268 HydrophobicContact CB-CD2 4.43Å; L233-L268 HydrophobicContact CD1-CD1 4.29Å; L233-M325 HydrophobicContact CB-CE 3.88Å; L233-M325 HydrophobicContact CD1-CE 4.19Å; L233-M325 HydrophobicContact CD2-CE 3.82Å; L233-M325 HydrophobicContact CG-CE 4.17Å
234	E	83.5	Confident	83.3	Confident	68 Å²	68	52.7 Å²	52.7	32%	0.318	27%	0.267	S	S	.	.	H	α-helix	trans	-65	-40.1	175.2	-160	-145.9	-174.6	0	0	111.7	S230 I232 V237 K238 V271	S230-E234 WeakPolarHBondContact O-CB 3.44Å; S230-E234 PolarHBondContact O-N 2.78Å; I232-E234 VanDerWaalsContact C-N 3.34Å; E234-V237 PolarHBondContact O-N 3.12Å; E234-K238 WeakPolarHBondContact O-CG 3.4Å; E234-K238 PolarHBondContact O-N 3.06Å; E234-K238 WeakPolarHBondContact OE1-CE 3.37Å; E234-K238 IonicContact OE1-NZ 3.42Å; E234-K238 PolarHBondContact OE1-NZ 2.87Å; E234-K238 IonicContact OE2-NZ 3.52Å; E234-K238 PolarHBondContact OE2-NZ 3.43Å; E234-V271 HydrophobicContact CG-CG1 4.4Å
235	K	84.2	Confident	83.4	Confident	103 Å²	103	49.2 Å²	49.2	45%	0.448	25%	0.248	S	C	.	.	H	α-helix	trans	-60.8	-45.1	172.9	-179.3	179.1	170.7	-178	0	111.9	D231 I232 V237 K238 E239	D231-K235 WeakPolarHBondContact O-CB 3.25Å; D231-K235 PolarHBondContact O-N 2.79Å; I232-K235 PolarHBondContact O-N 3.4Å; K235-V237 VanDerWaalsContact C-N 3.31Å; K235-V237 PolarHBondContact O-N 3.26Å; K235-K238 WeakPolarHBondContact O-CB 3.31Å; K235-K238 PolarHBondContact O-N 3.2Å; K235-K238 VanDerWaalsContact O-N 3.17Å; K235-E239 WeakPolarHBondContact CE-OE1 3.43Å; K235-E239 IonicContact NZ-OE1 3.86Å; K235-E239 WeakPolarHBondContact O-CG 3.32Å; K235-E239 PolarHBondContact O-N 2.9Å
236	L	82.5	Confident	83.4	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-66.3	-31.5	179.4	-73.2	171.3	0	0	0	113.1	F213 I232 L233 E239 D240 N241 M244 A245 I248	F213-L236 HydrophobicContact CD1-CD1 4.09Å; F213-L236 HydrophobicContact CD2-CD2 4.4Å; F213-L236 HydrophobicContact CE1-CD1 4.29Å; F213-L236 HydrophobicContact CE1-CD2 4.17Å; F213-L236 HydrophobicContact CE1-CG 4.27Å; F213-L236 HydrophobicContact CE2-CD2 3.92Å; F213-L236 HydrophobicContact CG-CD1 4.27Å; F213-L236 HydrophobicContact CZ-CD2 3.78Å; F213-L236 HydrophobicContact CZ-CG 4.37Å; I232-L236 HydrophobicContact CG2-CD1 4.07Å; I232-L236 WeakPolarHBondContact O-CG 3.47Å; I232-L236 PolarHBondContact O-N 3.37Å; L233-L236 PolarHBondContact O-N 3.45Å; L236-E239 PolarHBondContact O-N 3.16Å; L236-D240 PolarHBondContact O-N 3.41Å; L236-N241 HydrophobicContact CD2-CB 4.09Å; L236-N241 PolarHBondContact O-N 3.32Å; L236-M244 HydrophobicContact CD1-CG 4.27Å; L236-M244 HydrophobicContact CD1-SD 4.3Å; L236-M244 HydrophobicContact CD2-CG 4.43Å; L236-M244 HydrophobicContact CD2-SD 3.66Å; L236-A245 HydrophobicContact CB-CB 4.33Å; L236-I248 HydrophobicContact CD1-CD1 3.3Å
237	V	83.4	Confident	83.2	Confident	24 Å²	24	45.8 Å²	45.8	15%	0.145	23%	0.228	C	C	.	.	H	α-helix	trans	-68	-43.3	170.3	168.8	0	0	0	0	111.1	L233 E234 K235 E239 D240 L242 M325	L233-V237 WeakPolarHBondContact O-CG2 3.5Å; L233-V237 PolarHBondContact O-N 3.08Å; E234-V237 PolarHBondContact O-N 3.12Å; K235-V237 VanDerWaalsContact C-N 3.31Å; K235-V237 PolarHBondContact O-N 3.26Å; V237-E239 PolarHBondContact O-N 3.49Å; V237-D240 PolarHBondContact O-N 3.39Å; V237-D240 VanDerWaalsContact O-N 3.09Å; V237-L242 HydrophobicContact CG2-CD2 4.45Å; V237-M325 HydrophobicContact CG2-CE 4.15Å; V237-M325 HydrophobicContact CG2-SD 3.47Å; V237-M325 WeakPolarHBondContact CG2-SD 3.25Å
238	K	83.7	Confident	83.1	Confident	140 Å²	140	40.6 Å²	40.6	61%	0.609	20%	0.204	S	C	*	.	H	α-helix	trans	-64.1	-18.7	174.7	-71.4	166.3	179.4	170.2	0	114.1	E234 K235	E234-K238 WeakPolarHBondContact O-CG 3.4Å; E234-K238 PolarHBondContact O-N 3.06Å; E234-K238 WeakPolarHBondContact OE1-CE 3.37Å; E234-K238 IonicContact OE1-NZ 3.42Å; E234-K238 PolarHBondContact OE1-NZ 2.87Å; E234-K238 IonicContact OE2-NZ 3.52Å; E234-K238 PolarHBondContact OE2-NZ 3.43Å; K235-K238 WeakPolarHBondContact O-CB 3.31Å; K235-K238 PolarHBondContact O-N 3.2Å; K235-K238 VanDerWaalsContact O-N 3.17Å
239	E	82.4	Confident	83.2	Confident	89 Å²	89	39.1 Å²	39.1	42%	0.416	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	11.6	176.2	-67.5	176.5	176.9	0	0	113	K235 L236 V237 N241	K235-E239 WeakPolarHBondContact CE-OE1 3.43Å; K235-E239 IonicContact NZ-OE1 3.86Å; K235-E239 WeakPolarHBondContact O-CG 3.32Å; K235-E239 PolarHBondContact O-N 2.9Å; L236-E239 PolarHBondContact O-N 3.16Å; V237-E239 PolarHBondContact O-N 3.49Å; E239-N241 PolarHBondContact O-N 2.96Å; E239-N241 PolarHBondContact O-ND2 3.07Å
240	D	78.2	Confident	83.2	Confident	119 Å²	119	39.5 Å²	39.5	64%	0.636	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.7	14.6	-177	-81.6	-50.2	0	0	0	115.4	L236 V237 L242	L236-D240 PolarHBondContact O-N 3.41Å; V237-D240 PolarHBondContact O-N 3.39Å; V237-D240 VanDerWaalsContact O-N 3.09Å; D240-L242 PolarHBondContact O-N 3.13Å
241	N	81.3	Confident	83.1	Confident	74 Å²	74	39.9 Å²	39.9	40%	0.396	20%	0.196	S	C	.	.			trans	-81.4	46.3	-174.2	-83.9	-50.6	0	0	0	112.9	L236 E239 L243 M244 A245	L236-N241 HydrophobicContact CD2-CB 4.09Å; L236-N241 PolarHBondContact O-N 3.32Å; E239-N241 PolarHBondContact O-N 2.96Å; E239-N241 PolarHBondContact O-ND2 3.07Å; N241-L243 VanDerWaalsContact C-N 3.31Å; N241-L243 PolarHBondContact O-N 3.1Å; N241-L243 VanDerWaalsContact O-N 3.17Å; N241-M244 WeakPolarHBondContact O-CB 3.49Å; N241-M244 PolarHBondContact O-N 3.27Å; N241-A245 PolarHBondContact O-N 3.24Å
242	L	81.4	Confident	83	Confident	14 Å²	14	35.5 Å²	35.5	7%	0.073	17%	0.172	C	C	.	.	H	α-helix	trans	-55.9	-36.2	-171.3	-61.7	179.2	0	0	0	114.5	V237 D240 M244 A245 Y246 Q321	V237-L242 HydrophobicContact CG2-CD2 4.45Å; D240-L242 PolarHBondContact O-N 3.13Å; L242-M244 VanDerWaalsContact C-N 3.26Å; L242-M244 PolarHBondContact O-N 2.94Å; L242-A245 PolarHBondContact O-N 3.12Å; L242-Y246 HydrophobicContact CB-CE2 4.37Å; L242-Y246 WeakPolarHBondContact O-CD2 3.27Å; L242-Y246 PolarHBondContact O-N 3.47Å; L242-Q321 HydrophobicContact CD1-CG 4.09Å; L242-Q321 HydrophobicContact CD2-CB 4.25Å; L242-Q321 HydrophobicContact CD2-CG 4.16Å
243	L	80.8	Confident	83.1	Confident	32 Å²	32	37.5 Å²	37.5	17%	0.168	18%	0.18	C	C	.	.	H	α-helix	trans	-61.5	-37	178.1	-79.5	71.1	0	0	0	111.7	N241 Q247 K754 I874 K876	N241-L243 VanDerWaalsContact C-N 3.31Å; N241-L243 PolarHBondContact O-N 3.1Å; N241-L243 VanDerWaalsContact O-N 3.17Å; L243-Q247 PolarHBondContact O-N 3.15Å; L243-K754 HydrophobicContact CD1-CB 4.35Å; L243-K754 HydrophobicContact CD1-CD 4.03Å; L243-K754 HydrophobicContact CD1-CG 3.87Å; L243-I874 HydrophobicContact CB-CG2 3.97Å; L243-I874 HydrophobicContact CD2-CG2 4.03Å; L243-I874 HydrophobicContact CG-CG2 3.8Å; L243-K876 HydrophobicContact CD2-CB 4.11Å; L243-K876 HydrophobicContact CD2-CG 4.32Å
244	M	80	Confident	83.1	Confident	45 Å²	45	39.8 Å²	39.8	22%	0.222	19%	0.19	C	C	.	.	H	α-helix	trans	-74.1	-43.6	177.7	-173.1	-180	-74	0	0	110.7	F213 L236 N241 L242 Y246 Q247 I248 F864	F213-M244 HydrophobicContact CB-SD 4.42Å; F213-M244 HydrophobicContact CD2-CE 4.23Å; F213-M244 HydrophobicContact CD2-CG 4.45Å; F213-M244 HydrophobicContact CD2-SD 3.2Å; F213-M244 WeakPolarHBondContact CD2-SD 3.44Å; F213-M244 HydrophobicContact CE2-SD 3.56Å; F213-M244 VanDerWaalsContact CE2-SD 3.56Å; F213-M244 HydrophobicContact CG-SD 4.02Å; L236-M244 HydrophobicContact CD1-CG 4.27Å; L236-M244 HydrophobicContact CD1-SD 4.3Å; L236-M244 HydrophobicContact CD2-CG 4.43Å; L236-M244 HydrophobicContact CD2-SD 3.66Å; N241-M244 WeakPolarHBondContact O-CB 3.49Å; N241-M244 PolarHBondContact O-N 3.27Å; L242-M244 VanDerWaalsContact C-N 3.26Å; L242-M244 PolarHBondContact O-N 2.94Å; M244-Y246 VanDerWaalsContact C-N 3.35Å; M244-Y246 PolarHBondContact O-N 3.28Å; M244-Q247 PolarHBondContact O-N 3.37Å; M244-I248 HydrophobicContact CG-CD1 4.07Å; M244-I248 WeakPolarHBondContact O-CD1 3.34Å; M244-I248 VanDerWaalsContact O-CG1 3.28Å; M244-I248 WeakPolarHBondContact O-CG1 3.48Å; M244-I248 PolarHBondContact O-N 2.92Å; M244-F864 HydrophobicContact CB-CE1 4.11Å; M244-F864 HydrophobicContact CB-CZ 4.33Å; M244-F864 HydrophobicContact CE-CE1 3.99Å; M244-F864 HydrophobicContact CE-CZ 3.74Å; M244-F864 HydrophobicContact CG-CE1 4.28Å
245	A	84.5	Confident	83	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-58.6	-43.2	174.5	0	0	0	0	0	112.2	L233 L236 N241 L242 I248 C249 M325	L233-A245 HydrophobicContact CD2-CB 4.41Å; L236-A245 HydrophobicContact CB-CB 4.33Å; N241-A245 PolarHBondContact O-N 3.24Å; L242-A245 PolarHBondContact O-N 3.12Å; A245-I248 PolarHBondContact O-N 2.99Å; A245-C249 PolarHBondContact O-N 3.14Å; A245-C249 PolarHBondContact O-SG 3.22Å; A245-M325 HydrophobicContact CB-CE 4.06Å; A245-M325 HydrophobicContact CB-SD 4.25Å
246	Y	84.4	Confident	82.9	Confident	4 Å²	4	32.8 Å²	32.8	2%	0.016	16%	0.163	C	C	.	.	H	α-helix	trans	-64.6	-44	176.5	-63.6	-20.7	0	0	0	112.6	L242 M244 I248 C249 F250 K324 M325 I328 L756	L242-Y246 HydrophobicContact CB-CE2 4.37Å; L242-Y246 WeakPolarHBondContact O-CD2 3.27Å; L242-Y246 PolarHBondContact O-N 3.47Å; M244-Y246 VanDerWaalsContact C-N 3.35Å; M244-Y246 PolarHBondContact O-N 3.28Å; Y246-I248 VanDerWaalsContact C-N 3.29Å; Y246-I248 PolarHBondContact O-N 3.32Å; Y246-C249 PolarHBondContact O-N 3.06Å; Y246-F250 WeakPolarHBondContact O-CD2 3.18Å; Y246-F250 PolarHBondContact O-N 3.4Å; Y246-K324 HydrophobicContact CE1-CB 4.23Å; Y246-K324 VanDerWaalsContact OH-CD 3.31Å; Y246-K324 WeakPolarHBondContact OH-CD 3.38Å; Y246-M325 HydrophobicContact CD1-CG 4.09Å; Y246-M325 HydrophobicContact CE1-CG 3.94Å; Y246-I328 HydrophobicContact CD1-CD1 3.5Å; Y246-I328 HydrophobicContact CE1-CD1 4.19Å; Y246-I328 HydrophobicContact CG-CD1 3.81Å; Y246-L756 HydrophobicContact CD2-CD2 3.74Å; Y246-L756 HydrophobicContact CD2-CG 4.44Å; Y246-L756 HydrophobicContact CE2-CD2 4.14Å; Y246-L756 HydrophobicContact CE2-CG 4.35Å; Y246-L756 HydrophobicContact CG-CD2 4.18Å
247	Q	82.5	Confident	82.9	Confident	3 Å²	3	34.2 Å²	34.2	1%	0.014	17%	0.173	C	C	.	.	H	α-helix	trans	-62.2	-38.5	176	-171.5	66.7	67	0	0	111.4	L243 M244 F250 D251 K865 I872 I874	L243-Q247 PolarHBondContact O-N 3.15Å; M244-Q247 PolarHBondContact O-N 3.37Å; Q247-F250 PolarHBondContact O-N 3.49Å; Q247-D251 PolarHBondContact NE2-OD1 3.01Å; Q247-D251 WeakPolarHBondContact O-CB 3.47Å; Q247-D251 VanDerWaalsContact O-CG 3.29Å; Q247-D251 PolarHBondContact O-N 3.14Å; Q247-D251 VanDerWaalsContact O-OD1 3.13Å; Q247-K865 HydrophobicContact CG-CB 4.49Å; Q247-K865 HydrophobicContact CG-CD 3.84Å; Q247-I872 PolarHBondContact NE2-O 3.47Å; Q247-I874 HydrophobicContact CB-CG1 4.1Å
248	I	83.8	Confident	82.9	Confident	2 Å²	2	34.5 Å²	34.5	1%	0.01	17%	0.173	C	C	.	.	H	α-helix	trans	-62.6	-44.6	173.4	-68.1	160.7	0	0	0	110.9	F213 C217 L233 L236 M244 A245 Y246 F250 D251 L252	F213-I248 HydrophobicContact CB-CD1 3.61Å; F213-I248 HydrophobicContact CB-CG1 4.31Å; F213-I248 HydrophobicContact CG-CD1 4.32Å; C217-I248 HydrophobicContact CB-CG2 4.33Å; C217-I248 WeakPolarHBondContact SG-CG2 3.47Å; L233-I248 HydrophobicContact CD2-CB 4.14Å; L233-I248 HydrophobicContact CD2-CG2 3.73Å; L236-I248 HydrophobicContact CD1-CD1 3.3Å; M244-I248 HydrophobicContact CG-CD1 4.07Å; M244-I248 WeakPolarHBondContact O-CD1 3.34Å; M244-I248 VanDerWaalsContact O-CG1 3.28Å; M244-I248 WeakPolarHBondContact O-CG1 3.48Å; M244-I248 PolarHBondContact O-N 2.92Å; A245-I248 PolarHBondContact O-N 2.99Å; Y246-I248 VanDerWaalsContact C-N 3.29Å; Y246-I248 PolarHBondContact O-N 3.32Å; I248-F250 VanDerWaalsContact C-N 3.34Å; I248-F250 PolarHBondContact O-N 3.24Å; I248-D251 PolarHBondContact O-N 2.85Å; I248-L252 HydrophobicContact CG2-CD1 3.7Å; I248-L252 HydrophobicContact CG2-CG 4.1Å; I248-L252 VanDerWaalsContact O-CB 3.3Å; I248-L252 WeakPolarHBondContact O-CB 3.31Å; I248-L252 WeakPolarHBondContact O-CG 3.31Å; I248-L252 PolarHBondContact O-N 3.36Å
249	C	86.9	Confident	82.8	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-61.7	-38.4	177.3	-68.5	0	0	0	0	112.9	A245 Y246 Y253 I328 L329	A245-C249 PolarHBondContact O-N 3.14Å; A245-C249 PolarHBondContact O-SG 3.22Å; Y246-C249 PolarHBondContact O-N 3.06Å; C249-Y253 WeakPolarHBondContact O-CB 3.48Å; C249-Y253 PolarHBondContact O-N 2.84Å; C249-I328 HydrophobicContact CB-CB 3.94Å; C249-I328 HydrophobicContact CB-CG2 3.45Å; C249-I328 VanDerWaalsContact CB-CG2 3.45Å; C249-L329 HydrophobicContact CB-CD2 3.88Å; C249-L329 HydrophobicContact CB-CG 4.03Å
250	F	85.8	Confident	83	Confident	7 Å²	7	28 Å²	28	3%	0.031	14%	0.144	C	C	.	.	H	α-helix	trans	-68.5	-43.4	173	-74.6	-64.2	0	0	0	112.4	Y246 Q247 I248 L252 Y253 E254 I328 L752 L756 I872 I874	Y246-F250 WeakPolarHBondContact O-CD2 3.18Å; Y246-F250 PolarHBondContact O-N 3.4Å; Q247-F250 PolarHBondContact O-N 3.49Å; I248-F250 VanDerWaalsContact C-N 3.34Å; I248-F250 PolarHBondContact O-N 3.24Å; F250-L252 VanDerWaalsContact C-N 3.33Å; F250-L252 PolarHBondContact O-N 3.39Å; F250-Y253 PolarHBondContact O-N 3.17Å; F250-E254 PolarHBondContact O-N 2.96Å; F250-I328 HydrophobicContact CD1-CG2 3.64Å; F250-I328 HydrophobicContact CD2-CG2 4.03Å; F250-I328 HydrophobicContact CE1-CG1 4.49Å; F250-I328 HydrophobicContact CE1-CG2 3.67Å; F250-I328 HydrophobicContact CE2-CD1 4.06Å; F250-I328 HydrophobicContact CE2-CG1 4.26Å; F250-I328 HydrophobicContact CE2-CG2 4.04Å; F250-I328 HydrophobicContact CG-CG2 3.83Å; F250-I328 HydrophobicContact CZ-CD1 4.29Å; F250-I328 HydrophobicContact CZ-CG1 3.99Å; F250-I328 HydrophobicContact CZ-CG2 3.86Å; F250-L752 HydrophobicContact CE2-CD1 3.99Å; F250-L752 HydrophobicContact CZ-CD1 3.79Å; F250-L756 HydrophobicContact CE2-CD2 4.18Å; F250-L756 HydrophobicContact CZ-CD2 4.5Å; F250-I872 HydrophobicContact CD1-CB 4.13Å; F250-I872 HydrophobicContact CD1-CD1 3.69Å; F250-I872 HydrophobicContact CD1-CG2 3.95Å; F250-I872 HydrophobicContact CD2-CG2 3.81Å; F250-I872 HydrophobicContact CE1-CB 4.45Å; F250-I872 HydrophobicContact CE1-CD1 3.6Å; F250-I872 HydrophobicContact CE1-CG2 3.92Å; F250-I872 HydrophobicContact CE2-CG2 3.8Å; F250-I872 HydrophobicContact CG-CB 4.21Å; F250-I872 HydrophobicContact CG-CG2 3.91Å; F250-I872 HydrophobicContact CZ-CD1 4.44Å; F250-I872 HydrophobicContact CZ-CG2 3.85Å; F250-I874 HydrophobicContact CD2-CD1 4.27Å; F250-I874 HydrophobicContact CE2-CD1 4.03Å
251	D	83.3	Confident	83.3	Confident	13 Å²	13	22.6 Å²	22.6	7%	0.07	12%	0.115	C	C	.	.	H	α-helix	trans	-64.4	-37.4	178.1	-77.4	24.1	0	0	0	112.1	Q247 I248 S255 K865	Q247-D251 PolarHBondContact NE2-OD1 3.01Å; Q247-D251 WeakPolarHBondContact O-CB 3.47Å; Q247-D251 VanDerWaalsContact O-CG 3.29Å; Q247-D251 PolarHBondContact O-N 3.14Å; Q247-D251 VanDerWaalsContact O-OD1 3.13Å; I248-D251 PolarHBondContact O-N 2.85Å; D251-S255 WeakPolarHBondContact O-CB 3.41Å; D251-S255 PolarHBondContact O-N 2.91Å; D251-S255 PolarHBondContact O-OG 3.29Å; D251-K865 IonicContact OD1-NZ 3.03Å; D251-K865 PolarHBondContact OD1-NZ 3.12Å; D251-K865 IonicContact OD2-NZ 3.75Å; D251-K865 PolarHBondContact OD2-NZ 3.03Å
252	L	84.1	Confident	83.5	Confident	1 Å²	1	21.5 Å²	21.5	1%	0.005	11%	0.114	C	C	.	.	H	α-helix	trans	-62.6	-48.1	170.8	-75.4	167.9	0	0	0	110.6	I221 V229 L233 I248 F250 E254 S255 A256 F260 L261 L329	I221-L252 HydrophobicContact CD1-CD2 4.08Å; I221-L252 HydrophobicContact CG1-CD2 4.04Å; V229-L252 HydrophobicContact CG1-CD1 3.63Å; V229-L252 HydrophobicContact CG1-CD2 4.09Å; L233-L252 HydrophobicContact CD1-CD1 4.23Å; I248-L252 HydrophobicContact CG2-CD1 3.7Å; I248-L252 HydrophobicContact CG2-CG 4.1Å; I248-L252 VanDerWaalsContact O-CB 3.3Å; I248-L252 WeakPolarHBondContact O-CB 3.31Å; I248-L252 WeakPolarHBondContact O-CG 3.31Å; I248-L252 PolarHBondContact O-N 3.36Å; F250-L252 VanDerWaalsContact C-N 3.33Å; F250-L252 PolarHBondContact O-N 3.39Å; L252-E254 PolarHBondContact O-N 3.49Å; L252-S255 PolarHBondContact O-N 3.43Å; L252-A256 WeakPolarHBondContact O-CB 3.07Å; L252-A256 PolarHBondContact O-N 3.49Å; L252-F260 HydrophobicContact CD2-CE1 4.08Å; L252-L261 HydrophobicContact CB-CD2 4.22Å; L252-L329 HydrophobicContact CB-CD2 4.23Å; L252-L329 HydrophobicContact CD1-CD2 4.14Å
253	Y	85.6	Confident	83.7	Confident	50 Å²	50	22.7 Å²	22.7	20%	0.196	12%	0.123	C	C	.	.	H	α-helix	trans	-62.7	-39.9	180	176.1	-99.2	0	0	0	113.2	C249 F250 S255 L261 G331 A334 H453	C249-Y253 WeakPolarHBondContact O-CB 3.48Å; C249-Y253 PolarHBondContact O-N 2.84Å; F250-Y253 PolarHBondContact O-N 3.17Å; Y253-S255 VanDerWaalsContact C-N 3.3Å; Y253-S255 PolarHBondContact O-N 2.73Å; Y253-L261 HydrophobicContact CD2-CD1 4.09Å; Y253-G331 VanDerWaalsContact CZ-CA 3.49Å; Y253-A334 HydrophobicContact CD1-CB 3.93Å; Y253-A334 HydrophobicContact CE1-CB 3.53Å; Y253-H453 AromaticContact CE2-NE2 3.54Å; Y253-H453 AromaticContact CZ-NE2 3.73Å; Y253-H453 PolarHBondContact OH-CE1 3.17Å; Y253-H453 PolarHBondContact OH-NE2 2.76Å
254	E	82.3	Confident	84	Confident	48 Å²	48	21.2 Å²	21.2	22%	0.224	12%	0.115	C	C	.	.	H	α-helix	trans	-75	-13.8	176.2	-163.4	-179	172.7	0	0	113.5	F250 L252 S711 R712	F250-E254 PolarHBondContact O-N 2.96Å; L252-E254 PolarHBondContact O-N 3.49Å; E254-S711 WeakPolarHBondContact O-CB 3.46Å; E254-S711 PolarHBondContact O-OG 3.41Å; E254-R712 IonicContact OE1-CZ 3.56Å; E254-R712 IonicContact OE1-NE 3.37Å; E254-R712 PolarHBondContact OE1-NE 3.09Å; E254-R712 IonicContact OE1-NH2 3.84Å; E254-R712 PolarHBondContact OE1-NH2 3.05Å
255	S	81.6	Confident	84.2	Confident	4 Å²	4	20 Å²	20	3%	0.028	11%	0.11	C	C	.	.	H	α-helix	trans	-125.7	-24.1	-167.4	-53.1	0	0	0	0	116.3	D251 L252 Y253 S711 T713 H715	D251-S255 WeakPolarHBondContact O-CB 3.41Å; D251-S255 PolarHBondContact O-N 2.91Å; D251-S255 PolarHBondContact O-OG 3.29Å; L252-S255 PolarHBondContact O-N 3.43Å; Y253-S255 VanDerWaalsContact C-N 3.3Å; Y253-S255 PolarHBondContact O-N 2.73Å; S255-S711 PolarHBondContact OG-OG 3.45Å; S255-T713 VanDerWaalsContact OG-CG2 3.28Å; S255-T713 WeakPolarHBondContact OG-CG2 3.32Å; S255-T713 PolarHBondContact OG-OG1 3Å; S255-H715 PolarHBondContact O-CD2 3.37Å; S255-H715 VanDerWaalsContact O-CG 3.26Å
256	A	82.6	Confident	84.3	Confident	19 Å²	19	26.2 Å²	26.2	16%	0.157	14%	0.139	C	C	.	.	S	Bend	trans	-89.9	169.3	-175	0	0	0	0	0	113	I221 L252 F260 L261	I221-A256 HydrophobicContact CD1-CB 4.32Å; I221-A256 HydrophobicContact CG1-CB 4.15Å; I221-A256 HydrophobicContact CG2-CB 4.48Å; L252-A256 WeakPolarHBondContact O-CB 3.07Å; L252-A256 PolarHBondContact O-N 3.49Å; A256-F260 HydrophobicContact CB-CB 4.36Å; A256-F260 HydrophobicContact CB-CD1 3.91Å; A256-F260 HydrophobicContact CB-CG 4.39Å; A256-L261 HydrophobicContact CB-CD2 4.11Å; A256-L261 HydrophobicContact CB-CG 4.16Å
257	S	83	Confident	84.4	Confident	30 Å²	30	27.1 Å²	27.1	21%	0.21	14%	0.144	C	C	.	.			trans	-82.5	154.2	171.1	66.4	0	0	0	0	111.4	Q259 F260 L261	S257-Q259 VanDerWaalsContact C-N 3.31Å; S257-Q259 PolarHBondContact O-N 3.42Å; S257-F260 WeakPolarHBondContact O-CB 3.47Å; S257-F260 PolarHBondContact O-N 2.97Å; S257-F260 WeakPolarHBondContact OG-CB 3.4Å; S257-F260 PolarHBondContact OG-N 2.86Å; S257-L261 PolarHBondContact O-N 2.89Å
258	Q	82.1	Confident	84.4	Confident	31 Å²	31	27.9 Å²	27.9	15%	0.145	15%	0.147	C	C	.	.	H	α-helix	trans	-58.6	-43.1	-179.7	-163.4	64	20.9	0	0	111.9	F260 L261 S262 N452	Q258-F260 VanDerWaalsContact C-N 3.28Å; Q258-F260 PolarHBondContact O-N 2.87Å; Q258-L261 PolarHBondContact O-N 3.45Å; Q258-S262 PolarHBondContact O-N 2.98Å; Q258-S262 PolarHBondContact O-OG 3.12Å; Q258-N452 PolarHBondContact NE2-O 3.49Å; Q258-N452 VanDerWaalsContact NE2-O 3.09Å
259	Q	82.9	Confident	84.3	Confident	84 Å²	84	34.9 Å²	34.9	39%	0.393	17%	0.174	S	C	.	.	H	α-helix	trans	-55.9	-40.8	174	-171.7	-177.4	0.9	0	0	112.3	S257 S263 G487	S257-Q259 VanDerWaalsContact C-N 3.31Å; S257-Q259 PolarHBondContact O-N 3.42Å; Q259-S263 WeakPolarHBondContact O-CB 3.4Å; Q259-S263 PolarHBondContact O-N 3.12Å; Q259-S263 PolarHBondContact O-OG 3.12Å; Q259-G487 PolarHBondContact N-O 3.41Å
260	F	85.3	Confident	83.9	Confident	9 Å²	9	39 Å²	39	4%	0.039	20%	0.199	C	C	.	.	H	α-helix	trans	-66.6	-46.4	177.6	-170.5	-83.1	0	0	0	111.2	P226 V229 L252 A256 S257 Q258 S263 V264	P226-F260 HydrophobicContact CB-CD2 4.1Å; P226-F260 HydrophobicContact CB-CE1 4.5Å; P226-F260 HydrophobicContact CB-CE2 3.85Å; P226-F260 HydrophobicContact CB-CZ 4.06Å; V229-F260 HydrophobicContact CB-CE1 4.45Å; V229-F260 HydrophobicContact CB-CZ 4.34Å; V229-F260 HydrophobicContact CG2-CE1 4.1Å; V229-F260 HydrophobicContact CG2-CZ 3.73Å; L252-F260 HydrophobicContact CD2-CE1 4.08Å; A256-F260 HydrophobicContact CB-CB 4.36Å; A256-F260 HydrophobicContact CB-CD1 3.91Å; A256-F260 HydrophobicContact CB-CG 4.39Å; S257-F260 WeakPolarHBondContact O-CB 3.47Å; S257-F260 PolarHBondContact O-N 2.97Å; S257-F260 WeakPolarHBondContact OG-CB 3.4Å; S257-F260 PolarHBondContact OG-N 2.86Å; Q258-F260 VanDerWaalsContact C-N 3.28Å; Q258-F260 PolarHBondContact O-N 2.87Å; F260-S263 WeakPolarHBondContact O-CB 3.48Å; F260-S263 PolarHBondContact O-N 3.33Å; F260-V264 HydrophobicContact CD1-CG2 3.95Å; F260-V264 HydrophobicContact CE1-CG2 3.71Å; F260-V264 HydrophobicContact CZ-CG2 4.38Å; F260-V264 WeakPolarHBondContact O-CG2 3.32Å; F260-V264 PolarHBondContact O-N 3.28Å
261	L	85.6	Confident	82.9	Confident	4 Å²	4	42.5 Å²	42.5	2%	0.021	22%	0.221	C	C	.	.	H	α-helix	trans	-60.4	-47.9	177.1	-66	172.4	0	0	0	111.7	L252 Y253 A256 S257 Q258 S263 V264 I265 L329	L252-L261 HydrophobicContact CB-CD2 4.22Å; Y253-L261 HydrophobicContact CD2-CD1 4.09Å; A256-L261 HydrophobicContact CB-CD2 4.11Å; A256-L261 HydrophobicContact CB-CG 4.16Å; S257-L261 PolarHBondContact O-N 2.89Å; Q258-L261 PolarHBondContact O-N 3.45Å; L261-S263 VanDerWaalsContact C-N 3.3Å; L261-S263 PolarHBondContact O-N 2.92Å; L261-V264 PolarHBondContact O-N 2.99Å; L261-I265 VanDerWaalsContact O-CG1 3.26Å; L261-I265 WeakPolarHBondContact O-CG1 3.34Å; L261-I265 PolarHBondContact O-N 3.5Å; L261-L329 HydrophobicContact CD2-CD2 4.13Å
262	S	85	Confident	81.4	Confident	52 Å²	52	44 Å²	44	36%	0.364	24%	0.24	S	C	.	.	H	α-helix	trans	-58.9	-40.1	174.9	-59	0	0	0	0	112.4	Q258 I265 Q266	Q258-S262 PolarHBondContact O-N 2.98Å; Q258-S262 PolarHBondContact O-OG 3.12Å; S262-I265 PolarHBondContact O-N 2.88Å; S262-Q266 WeakPolarHBondContact O-CB 3.38Å; S262-Q266 PolarHBondContact O-N 3.18Å
263	S	85.6	Confident	79.5	Confident	38 Å²	38	48.1 Å²	48.1	27%	0.266	27%	0.265	S	S	.	.	H	α-helix	trans	-64.2	-45.5	176.4	-55.7	0	0	0	0	112.1	Q259 F260 L261 Q266 N267	Q259-S263 WeakPolarHBondContact O-CB 3.4Å; Q259-S263 PolarHBondContact O-N 3.12Å; Q259-S263 PolarHBondContact O-OG 3.12Å; F260-S263 WeakPolarHBondContact O-CB 3.48Å; F260-S263 PolarHBondContact O-N 3.33Å; L261-S263 VanDerWaalsContact C-N 3.3Å; L261-S263 PolarHBondContact O-N 2.92Å; S263-Q266 PolarHBondContact O-N 2.92Å; S263-N267 VanDerWaalsContact O-CG 3.24Å; S263-N267 PolarHBondContact O-N 3.31Å; S263-N267 PolarHBondContact O-OD1 3.04Å
264	V	86.7	Confident	76.9	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.006	29%	0.292	C	S	.	.	H	α-helix	trans	-64.9	-41.8	177.6	173.2	0	0	0	0	111	P226 V229 L233 F260 L261 Q266 N267 L268 L329	P226-V264 HydrophobicContact CB-CG2 3.74Å; V229-V264 HydrophobicContact CB-CG2 4.35Å; V229-V264 HydrophobicContact CG1-CG1 4.34Å; V229-V264 HydrophobicContact CG1-CG2 4.26Å; L233-V264 HydrophobicContact CD1-CG1 4.31Å; F260-V264 HydrophobicContact CD1-CG2 3.95Å; F260-V264 HydrophobicContact CE1-CG2 3.71Å; F260-V264 HydrophobicContact CZ-CG2 4.38Å; F260-V264 WeakPolarHBondContact O-CG2 3.32Å; F260-V264 PolarHBondContact O-N 3.28Å; L261-V264 PolarHBondContact O-N 2.99Å; V264-Q266 VanDerWaalsContact C-N 3.31Å; V264-Q266 PolarHBondContact O-N 3.18Å; V264-N267 PolarHBondContact O-N 3.41Å; V264-L268 HydrophobicContact CG1-CD1 3.92Å; V264-L268 HydrophobicContact CG1-CG 4.34Å; V264-L268 WeakPolarHBondContact O-CB 3.41Å; V264-L268 VanDerWaalsContact O-CG 3.29Å; V264-L268 WeakPolarHBondContact O-CG 3.08Å; V264-L268 PolarHBondContact O-N 3.14Å; V264-L329 HydrophobicContact CG1-CD1 4.15Å
265	I	85.2	Confident	74.5	Confident	21 Å²	21	56.4 Å²	56.4	11%	0.108	32%	0.319	C	S	.	.	H	α-helix	trans	-61.3	-40.6	174.9	-68	164.4	0	0	0	110.9	L261 S262 R269 I326 L329	L261-I265 VanDerWaalsContact O-CG1 3.26Å; L261-I265 WeakPolarHBondContact O-CG1 3.34Å; L261-I265 PolarHBondContact O-N 3.5Å; S262-I265 PolarHBondContact O-N 2.88Å; I265-R269 VanDerWaalsContact O-CG 3.26Å; I265-R269 WeakPolarHBondContact O-CG 3.29Å; I265-R269 PolarHBondContact O-N 3.31Å; I265-R269 VanDerWaalsContact O-N 3.09Å; I265-I326 HydrophobicContact CG2-CG2 4.28Å; I265-L329 HydrophobicContact CD1-CB 3.88Å; I265-L329 HydrophobicContact CG1-CB 3.75Å; I265-L329 HydrophobicContact CG1-CD1 4.25Å
266	Q	86.1	Confident	71.9	Confident	130 Å²	130	60.3 Å²	60.3	61%	0.607	35%	0.351	S	S	*	.	H	α-helix	trans	-64.9	-47.1	175.8	-174.3	172.6	-4.7	0	0	111.6	S262 S263 V264 L268 R269 T270	S262-Q266 WeakPolarHBondContact O-CB 3.38Å; S262-Q266 PolarHBondContact O-N 3.18Å; S263-Q266 PolarHBondContact O-N 2.92Å; V264-Q266 VanDerWaalsContact C-N 3.31Å; V264-Q266 PolarHBondContact O-N 3.18Å; Q266-L268 PolarHBondContact O-N 3.24Å; Q266-R269 PolarHBondContact O-N 2.96Å; Q266-T270 PolarHBondContact O-N 2.75Å; Q266-T270 PolarHBondContact O-OG1 3.49Å
267	N	86	Confident	69.1	Low	23 Å²	23	64.6 Å²	64.6	12%	0.123	38%	0.38	C	S	.	.	H	α-helix	trans	-55.9	-50.5	176	-67.4	-14	0	0	0	111.6	Q227 S230 S263 V264 R269 T270 V271	Q227-N267 PolarHBondContact NE2-ND2 3.09Å; Q227-N267 VanDerWaalsContact NE2-ND2 3.11Å; Q227-N267 PolarHBondContact NE2-OD1 3.36Å; Q227-N267 PolarHBondContact OE1-ND2 3.04Å; Q227-N267 VanDerWaalsContact OE1-ND2 3.12Å; S230-N267 WeakPolarHBondContact OG-CB 3.5Å; S230-N267 PolarHBondContact OG-ND2 3.47Å; S230-N267 VanDerWaalsContact OG-ND2 3.1Å; S263-N267 VanDerWaalsContact O-CG 3.24Å; S263-N267 PolarHBondContact O-N 3.31Å; S263-N267 PolarHBondContact O-OD1 3.04Å; V264-N267 PolarHBondContact O-N 3.41Å; N267-R269 VanDerWaalsContact C-N 3.29Å; N267-R269 PolarHBondContact O-N 3.04Å; N267-T270 PolarHBondContact O-N 3.25Å; N267-T270 VanDerWaalsContact O-N 3.13Å; N267-V271 WeakPolarHBondContact O-CG2 3.16Å; N267-V271 PolarHBondContact O-N 3.01Å
268	L	82.3	Confident	66.7	Low	18 Å²	18	69.5 Å²	69.5	9%	0.094	41%	0.409	C	S	.	.	H	α-helix	trans	-60.8	-36.8	179.9	-69.5	171	0	0	0	112.1	L233 V264 Q266 G272 L329	L233-L268 HydrophobicContact CB-CD2 4.43Å; L233-L268 HydrophobicContact CD1-CD1 4.29Å; V264-L268 HydrophobicContact CG1-CD1 3.92Å; V264-L268 HydrophobicContact CG1-CG 4.34Å; V264-L268 WeakPolarHBondContact O-CB 3.41Å; V264-L268 VanDerWaalsContact O-CG 3.29Å; V264-L268 WeakPolarHBondContact O-CG 3.08Å; V264-L268 PolarHBondContact O-N 3.14Å; Q266-L268 PolarHBondContact O-N 3.24Å; L268-G272 PolarHBondContact O-N 2.93Å; L268-L329 HydrophobicContact CD1-CD1 3.66Å
269	R	81.9	Confident	64.2	Low	150 Å²	150	74.1 Å²	74.1	57%	0.566	44%	0.441	S	S	*	.	H	α-helix	trans	-67.3	-42.7	173.4	-72.4	171.3	-178.1	-172.1	2.1	112.3	I265 Q266 N267 G272 T273 I326	I265-R269 VanDerWaalsContact O-CG 3.26Å; I265-R269 WeakPolarHBondContact O-CG 3.29Å; I265-R269 PolarHBondContact O-N 3.31Å; I265-R269 VanDerWaalsContact O-N 3.09Å; Q266-R269 PolarHBondContact O-N 2.96Å; N267-R269 VanDerWaalsContact C-N 3.29Å; N267-R269 PolarHBondContact O-N 3.04Å; R269-G272 PolarHBondContact O-N 3.32Å; R269-T273 PolarHBondContact O-N 2.75Å; R269-I326 HydrophobicContact CG-CD1 3.88Å
270	T	79.4	Confident	61.4	Low	85 Å²	85	73.4 Å²	73.4	52%	0.521	46%	0.457	S	S	.	.	H	α-helix	trans	-69.1	-40.6	179.9	-61.4	0	0	0	0	112.6	Q266 N267 G272 T273	Q266-T270 PolarHBondContact O-N 2.75Å; Q266-T270 PolarHBondContact O-OG1 3.49Å; N267-T270 PolarHBondContact O-N 3.25Å; N267-T270 VanDerWaalsContact O-N 3.13Å; T270-G272 VanDerWaalsContact C-N 3.33Å; T270-T273 PolarHBondContact O-N 3.23Å; T270-T273 PolarHBondContact O-OG1 2.89Å
271	V	63.7	Low	58.6	Low	81 Å²	81	78.9 Å²	78.9	49%	0.491	50%	0.496	S	S	.	.	H	α-helix	trans	-68.2	-34.6	174.7	175.9	0	0	0	0	111.1	E234 N267 T273	E234-V271 HydrophobicContact CG-CG1 4.4Å; N267-V271 WeakPolarHBondContact O-CG2 3.16Å; N267-V271 PolarHBondContact O-N 3.01Å; V271-T273 VanDerWaalsContact C-N 3.25Å; V271-T273 PolarHBondContact O-N 2.89Å
272	G	53.3	Low	55.8	Low	46 Å²	46	84.2 Å²	84.2	47%	0.474	53%	0.529	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-14	175	0	0	0	0	0	115.4	L268 R269 T270 P274	L268-G272 PolarHBondContact O-N 2.93Å; R269-G272 PolarHBondContact O-N 3.32Å; T270-G272 VanDerWaalsContact C-N 3.33Å; G272-P274 WeakPolarHBondContact O-CD 3.06Å
273	T	42.4	Very low	53	Low	86 Å²	86	88.4 Å²	88.4	53%	0.528	55%	0.547	S	S	.	.	S	Bend	trans	-89.7	115.1	171.7	47.5	0	0	0	0	111.1	R269 T270 V271 I275	R269-T273 PolarHBondContact O-N 2.75Å; T270-T273 PolarHBondContact O-N 3.23Å; T270-T273 PolarHBondContact O-OG1 2.89Å; V271-T273 VanDerWaalsContact C-N 3.25Å; V271-T273 PolarHBondContact O-N 2.89Å; T273-I275 PolarHBondContact O-N 3.18Å; T273-I275 VanDerWaalsContact O-N 3.08Å
274	P	32.7	Very low	50.2	Low	118 Å²	118	93.7 Å²	93.7	77%	0.766	58%	0.578	S	S	*	*			trans	-64.8	115.4	173.2	27	-33	0	0	0	109	G272 A276	G272-P274 WeakPolarHBondContact O-CD 3.06Å; P274-A276 PolarHBondContact O-N 3.06Å; P274-A276 VanDerWaalsContact O-N 3.09Å
275	I	30.5	Very low	47.2	Very low	155 Å²	155	97.2 Å²	97.2	80%	0.795	61%	0.614	S	S	*	*			trans	-60.3	114.9	-177.9	-61.4	172.5	0	0	0	108.9	T273 S277	T273-I275 PolarHBondContact O-N 3.18Å; T273-I275 VanDerWaalsContact O-N 3.08Å; I275-S277 PolarHBondContact O-N 3.18Å; I275-S277 VanDerWaalsContact O-N 3.14Å
276	A	27.2	Very low	44.3	Very low	85 Å²	85	103.4 Å²	103.4	70%	0.702	65%	0.653	S	S	*	*			trans	-60	117.5	167.2	0	0	0	0	0	108.1	P274 V278	P274-A276 PolarHBondContact O-N 3.06Å; P274-A276 VanDerWaalsContact O-N 3.09Å; A276-V278 PolarHBondContact O-N 2.98Å
277	S	25.4	Very low	41.3	Very low	109 Å²	109	103.9 Å²	103.9	76%	0.762	67%	0.665	S	S	*	*			trans	-66	96.8	-168.6	56.5	0	0	0	0	111.9	I275 P279	I275-S277 PolarHBondContact O-N 3.18Å; I275-S277 VanDerWaalsContact O-N 3.14Å; S277-P279 WeakPolarHBondContact O-CD 3.35Å
278	V	31.9	Very low	38.9	Very low	134 Å²	134	109 Å²	109	81%	0.812	70%	0.699	S	S	*	*			trans	-69.6	119.2	169.8	-173.4	0	0	0	0	107.9	A276 G280	A276-V278 PolarHBondContact O-N 2.98Å; V278-G280 PolarHBondContact O-N 3.11Å
279	P	28.9	Very low	36	Very low	128 Å²	128	111.9 Å²	111.9	83%	0.831	73%	0.734	S	S	*	*			trans	-81	78.2	-166.5	32.2	-36.5	0	0	0	112.9	S277	S277-P279 WeakPolarHBondContact O-CD 3.35Å
280	G	25.4	Very low	33.3	Very low	69 Å²	69	110 Å²	110	71%	0.711	74%	0.743	S	S	*	*			trans	72.2	136	151.7	0	0	0	0	0	118.9	V278	V278-G280 PolarHBondContact O-N 3.11Å
281	S	26.6	Very low	30.7	Very low	124 Å²	124	114.5 Å²	114.5	87%	0.867	76%	0.759	S	S	*	*				-163.7	140.4	124	-169.6	0	0	0	0	110.4
282	T	25.8	Very low	28.8	Very low	116 Å²	116	118.6 Å²	118.6	71%	0.712	77%	0.77	S	S	*	*			trans	-111.5	142.5	169.7	45.4	0	0	0	0	110.7
283	N	27.1	Very low	27.4	Very low	139 Å²	139	122.3 Å²	122.3	74%	0.743	78%	0.779	S	S	*	*	S	Bend	trans	72.9	133.4	156.6	-59.7	-16.6	0	0	0	120.2
284	T	26	Very low	26.5	Very low	150 Å²	150	122.6 Å²	122.6	92%	0.92	78%	0.784	S	S	*	*			trans	64.3	138.4	149.1	51.9	0	0	0	0	117.9
285	G	23.1	Very low	26	Very low	74 Å²	74	124 Å²	124	76%	0.763	79%	0.785	S	S	*	*			trans	-130.6	158.1	-171.2	0	0	0	0	0	114.7
286	T	24.2	Very low	25.7	Very low	151 Å²	151	122 Å²	122	93%	0.926	79%	0.785	S	S	*	*			trans	-151.4	146.9	159.5	30.8	0	0	0	0	108.6
287	V	24.2	Very low	25.6	Very low	140 Å²	140	125 Å²	125	85%	0.848	79%	0.786	S	S	*	*			trans	-102.5	167.8	169.4	-103	0	0	0	0	109.5
288	P	35.3	Very low	25.5	Very low	131 Å²	131	127 Å²	127	85%	0.851	78%	0.783	S	S	*	*			cis	-130.1	-178	-5.8	38.4	-21.5	0	0	0	114.3
289	G	22	Very low	25	Very low	79 Å²	79	125 Å²	125	81%	0.814	77%	0.772	S	S	*	*			trans	-175.8	149.9	166.5	0	0	0	0	0	112.3
290	S	23.5	Very low	24.7	Very low	110 Å²	110	127 Å²	127	77%	0.769	77%	0.77	S	S	*	*			trans	-143.9	135.8	-168.1	59.5	0	0	0	0	114.9
291	E	24.9	Very low	24.5	Very low	180 Å²	180	130 Å²	130	84%	0.841	77%	0.765	S	S	*	*			trans	-179.3	139.9	151.7	-97.6	150.4	-152.3	0	0	106.5
292	K	25.4	Very low	24.3	Very low	166 Å²	166	131.2 Å²	131.2	72%	0.722	76%	0.755	S	S	*	*				66.2	139.2	54.6	-70.3	-168.1	132.8	-69.1	0	112.9
293	D	22.9	Very low	24.1	Very low	125 Å²	125	131.4 Å²	131.4	67%	0.668	76%	0.756	S	S	*	*			cis	-158.4	160.8	-8.4	-77.3	-38.6	0	0	0	105.9
294	S	22.8	Very low	23.8	Very low	91 Å²	91	130.2 Å²	130.2	64%	0.636	76%	0.759	S	S	*	*			cis	-153.6	-166.7	-16.7	67.4	0	0	0	0	108.2
295	D	22	Very low	23.6	Very low	149 Å²	149	128.7 Å²	128.7	80%	0.797	75%	0.754	S	S	*	*			trans	35.2	146.7	152.3	-52.5	-47.4	0	0	0	122.2
296	S	25.3	Very low	23.6	Very low	113 Å²	113	129.7 Å²	129.7	79%	0.79	76%	0.755	S	S	*	*			cis	-163.7	162.9	43.4	63.9	0	0	0	0	116.8
297	M	24.1	Very low	23.5	Very low	148 Å²	148	132.1 Å²	132.1	73%	0.729	75%	0.754	S	S	*	*			trans	-64.6	168.1	155.1	-63.3	160.8	86.4	0	0	109.9
298	E	24.4	Very low	23.5	Very low	149 Å²	149	132 Å²	132	70%	0.696	75%	0.753	S	S	*	*			cis	-161.5	-167.6	-1.1	-126.4	166.4	179.7	0	0	107.2
299	T	21.6	Very low	23	Very low	94 Å²	94	129 Å²	129	58%	0.577	75%	0.745	S	S	*	*			cis	-162.7	155.3	8.7	2.4	0	0	0	0	108.2
300	E	22.4	Very low	23.1	Very low	168 Å²	168	135 Å²	135	79%	0.785	75%	0.749	S	S	*	*			trans	62.4	161	150	-65.7	-179.4	179.8	0	0	119.1
301	E	21.3	Very low	23.2	Very low	132 Å²	132	135.9 Å²	135.9	62%	0.617	75%	0.75	S	S	*	*			cis	-154.7	165.4	-15.6	-124.1	-161	165.8	0	0	112.9
302	K	22.5	Very low	23.4	Very low	150 Å²	150	133.1 Å²	133.1	65%	0.652	75%	0.747	S	S	*	*			trans	49.5	103.6	147.5	-73.5	-178.5	-171.3	123.1	0	123.3
303	T	20.4	Very low	23.5	Very low	120 Å²	120	134.9 Å²	134.9	74%	0.736	76%	0.758	S	S	*	*				53.8	129.2	120.7	58.8	0	0	0	0	123.6
304	S	20.7	Very low	23.9	Very low	114 Å²	114	133.5 Å²	133.5	80%	0.797	76%	0.764	S	S	*	*			trans	66.3	110.3	138.8	66.1	0	0	0	0	121.1
305	S	22.5	Very low	24	Very low	118 Å²	118	133.4 Å²	133.4	83%	0.825	76%	0.764	S	S	*	*				-151.8	148.6	119.6	53.5	0	0	0	0	109.8
306	A	22.6	Very low	24.7	Very low	95 Å²	95	131 Å²	131	79%	0.785	76%	0.756	S	S	*	*			trans	-91.4	139.1	178.5	0	0	0	0	0	110.5
307	F	23.5	Very low	25.7	Very low	203 Å²	203	131.4 Å²	131.4	89%	0.89	75%	0.745	S	S	*	*			trans	-128.8	115.3	168.5	-119.4	-89	0	0	0	110.5	G309	F307-G309 PolarHBondContact O-N 2.95Å
308	V	24.6	Very low	26.9	Very low	138 Å²	138	128 Å²	128	84%	0.836	73%	0.734	S	S	*	*			trans	-84.3	99.2	177.9	177.6	0	0	0	0	108.9
309	G	23.9	Very low	28.6	Very low	66 Å²	66	127.9 Å²	127.9	68%	0.68	73%	0.732	S	S	*	*			trans	-105.5	115.3	168.7	0	0	0	0	0	110.4	F307 T311	F307-G309 PolarHBondContact O-N 2.95Å; G309-T311 PolarHBondContact O-N 3.07Å
310	K	24.8	Very low	30.8	Very low	205 Å²	205	128 Å²	128	89%	0.891	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-69	125.6	177.6	-71.7	-176.8	173.2	-173.1	0	111.1
311	T	24.1	Very low	33.2	Very low	130 Å²	130	121.5 Å²	121.5	80%	0.798	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-99.7	151.8	155.4	38.1	0	0	0	0	110	G309	G309-T311 PolarHBondContact O-N 3.07Å
312	P	29.5	Very low	35.8	Very low	121 Å²	121	117 Å²	117	79%	0.786	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-75.7	160.8	-174.1	31.4	-36.2	0	0	0	113	A314	P312-A314 PolarHBondContact O-N 2.95Å
313	E	28.3	Very low	38.6	Very low	204 Å²	204	115 Å²	115	95%	0.953	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-68.8	125.3	-176.2	-67.2	160.5	129.4	0	0	112.4
314	A	29.8	Very low	41.5	Very low	95 Å²	95	113 Å²	113	79%	0.785	66%	0.657	S	S	*	*			trans	-136.4	145.2	160.3	0	0	0	0	0	107.3	P312	P312-A314 PolarHBondContact O-N 2.95Å
315	S	26.6	Very low	44.4	Very low	90 Å²	90	107.8 Å²	107.8	63%	0.629	62%	0.62	S	S	*	*			trans	-63.6	130.9	-164	41.5	0	0	0	0	113.9	E317	S315-E317 VanDerWaalsContact C-N 3.33Å
316	P	36.2	Very low	47.3	Very low	98 Å²	98	103 Å²	103	64%	0.636	59%	0.585	S	S	*	*			trans	-85.7	-0.8	-179.9	34.6	-36.3	0	0	0	114.5	P318	P316-P318 VanDerWaalsContact C-CD 3.45Å; P316-P318 WeakPolarHBondContact O-CD 3.22Å
317	E	46.1	Very low	50.2	Low	121 Å²	121	101.2 Å²	101.2	57%	0.565	56%	0.559	S	S	*	*	H	α-helix	trans	-58.1	-37.4	-158.7	-61.7	177.3	134.4	0	0	118.5	S315 K319 D320 Q321	S315-E317 VanDerWaalsContact C-N 3.33Å; E317-K319 PolarHBondContact O-N 3.46Å; E317-K319 VanDerWaalsContact O-N 3.12Å; E317-D320 PolarHBondContact O-N 3.41Å; E317-Q321 PolarHBondContact O-N 3Å
318	P	50.3	Low	53.2	Low	76 Å²	76	91.5 Å²	91.5	49%	0.494	52%	0.517	S	S	.	.	H	α-helix	trans	-66.9	-19.8	-172.2	24.5	-34.4	0	0	0	114	P316 T322	P316-P318 VanDerWaalsContact C-CD 3.45Å; P316-P318 WeakPolarHBondContact O-CD 3.22Å; P318-T322 PolarHBondContact O-N 3.2Å; P318-T322 PolarHBondContact O-OG1 3.29Å
319	K	58.1	Low	56.1	Low	148 Å²	148	85 Å²	85	64%	0.643	48%	0.477	S	S	*	.	H	α-helix	trans	-73.1	-42.2	177.1	-66.9	-172.8	178.5	-178.9	0	112	E317 T322 L323	E317-K319 PolarHBondContact O-N 3.46Å; E317-K319 VanDerWaalsContact O-N 3.12Å; K319-T322 PolarHBondContact O-N 3.38Å; K319-L323 WeakPolarHBondContact O-CG 3.46Å; K319-L323 PolarHBondContact O-N 3.25Å
320	D	68.4	Low	58.8	Low	97 Å²	97	83.3 Å²	83.3	52%	0.519	46%	0.455	S	S	.	.	H	α-helix	trans	-70.8	-35.4	-178.1	-64.5	-22.4	0	0	0	111.8	E317 L323 K324	E317-D320 PolarHBondContact O-N 3.41Å; D320-L323 PolarHBondContact O-N 3.03Å; D320-K324 WeakPolarHBondContact O-CG 3.37Å; D320-K324 PolarHBondContact O-N 2.89Å
321	Q	72.4	Confident	61.5	Low	31 Å²	31	73.6 Å²	73.6	15%	0.145	41%	0.413	C	S	.	.	H	α-helix	trans	-60.6	-47.2	171.4	-62.5	177.6	2.6	0	0	111.2	L242 E317 L323 K324 M325	L242-Q321 HydrophobicContact CD1-CG 4.09Å; L242-Q321 HydrophobicContact CD2-CB 4.25Å; L242-Q321 HydrophobicContact CD2-CG 4.16Å; E317-Q321 PolarHBondContact O-N 3Å; Q321-L323 PolarHBondContact O-N 3.3Å; Q321-K324 PolarHBondContact O-N 3.07Å; Q321-M325 WeakPolarHBondContact O-CG 3.49Å; Q321-M325 PolarHBondContact O-N 3.22Å
322	T	76.5	Confident	64.4	Low	37 Å²	37	70.7 Å²	70.7	23%	0.227	39%	0.39	C	S	.	.	H	α-helix	trans	-61.3	-42	177.2	-54.8	0	0	0	0	111.5	P318 K319 M325 I326	P318-T322 PolarHBondContact O-N 3.2Å; P318-T322 PolarHBondContact O-OG1 3.29Å; K319-T322 PolarHBondContact O-N 3.38Å; T322-M325 PolarHBondContact O-N 3.32Å; T322-I326 HydrophobicContact CG2-CD1 4.12Å; T322-I326 WeakPolarHBondContact O-CG1 3.43Å; T322-I326 PolarHBondContact O-N 3.07Å
323	L	80.8	Confident	66.9	Low	107 Å²	107	66.4 Å²	66.4	56%	0.56	36%	0.36	S	S	*	.	H	α-helix	trans	-65.3	-41.4	176.3	-71.5	169.9	0	0	0	112.5	K319 D320 Q321 M325 I326 K327	K319-L323 WeakPolarHBondContact O-CG 3.46Å; K319-L323 PolarHBondContact O-N 3.25Å; D320-L323 PolarHBondContact O-N 3.03Å; Q321-L323 PolarHBondContact O-N 3.3Å; L323-M325 VanDerWaalsContact C-N 3.32Å; L323-M325 PolarHBondContact O-N 3.02Å; L323-I326 PolarHBondContact O-N 3.19Å; L323-K327 PolarHBondContact O-N 3.12Å
324	K	81.3	Confident	69.7	Low	79 Å²	79	56.7 Å²	56.7	34%	0.343	32%	0.315	S	S	.	.	H	α-helix	trans	-58.4	-43.2	172.6	-76.8	-177.1	177.3	-174.6	0	111.4	Y246 D320 Q321 K327 I328 D755	Y246-K324 HydrophobicContact CE1-CB 4.23Å; Y246-K324 VanDerWaalsContact OH-CD 3.31Å; Y246-K324 WeakPolarHBondContact OH-CD 3.38Å; D320-K324 WeakPolarHBondContact O-CG 3.37Å; D320-K324 PolarHBondContact O-N 2.89Å; Q321-K324 PolarHBondContact O-N 3.07Å; K324-K327 PolarHBondContact O-N 2.85Å; K324-I328 WeakPolarHBondContact O-CG1 3.33Å; K324-I328 PolarHBondContact O-N 2.91Å; K324-D755 IonicContact NZ-OD1 3.12Å; K324-D755 PolarHBondContact NZ-OD1 2.88Å
325	M	81.3	Confident	72.4	Confident	4 Å²	4	53.3 Å²	53.3	2%	0.02	28%	0.283	C	S	.	.	H	α-helix	trans	-65.7	-40.2	177	-69.2	173	63.8	0	0	112.7	L233 V237 A245 Y246 Q321 T322 L323 K327 I328 L329	L233-M325 HydrophobicContact CB-CE 3.88Å; L233-M325 HydrophobicContact CD1-CE 4.19Å; L233-M325 HydrophobicContact CD2-CE 3.82Å; L233-M325 HydrophobicContact CG-CE 4.17Å; V237-M325 HydrophobicContact CG2-CE 4.15Å; V237-M325 HydrophobicContact CG2-SD 3.47Å; V237-M325 WeakPolarHBondContact CG2-SD 3.25Å; A245-M325 HydrophobicContact CB-CE 4.06Å; A245-M325 HydrophobicContact CB-SD 4.25Å; Y246-M325 HydrophobicContact CD1-CG 4.09Å; Y246-M325 HydrophobicContact CE1-CG 3.94Å; Q321-M325 WeakPolarHBondContact O-CG 3.49Å; Q321-M325 PolarHBondContact O-N 3.22Å; T322-M325 PolarHBondContact O-N 3.32Å; L323-M325 VanDerWaalsContact C-N 3.32Å; L323-M325 PolarHBondContact O-N 3.02Å; M325-K327 VanDerWaalsContact C-N 3.31Å; M325-K327 PolarHBondContact O-N 2.8Å; M325-I328 PolarHBondContact O-N 2.96Å; M325-L329 WeakPolarHBondContact O-CG 3.39Å; M325-L329 PolarHBondContact O-N 3.16Å
326	I	83.9	Confident	75.2	Confident	19 Å²	19	51.8 Å²	51.8	10%	0.097	27%	0.266	C	S	.	.	H	α-helix	trans	-60.9	-39.7	173.8	-70.1	166.4	0	0	0	111	I265 R269 T322 L323 I328 L329 S330	I265-I326 HydrophobicContact CG2-CG2 4.28Å; R269-I326 HydrophobicContact CG-CD1 3.88Å; T322-I326 HydrophobicContact CG2-CD1 4.12Å; T322-I326 WeakPolarHBondContact O-CG1 3.43Å; T322-I326 PolarHBondContact O-N 3.07Å; L323-I326 PolarHBondContact O-N 3.19Å; I326-I328 VanDerWaalsContact C-N 3.3Å; I326-I328 PolarHBondContact O-N 3Å; I326-L329 PolarHBondContact O-N 2.71Å; I326-S330 WeakPolarHBondContact O-CB 3.32Å; I326-S330 PolarHBondContact O-N 3.09Å; I326-S330 PolarHBondContact O-OG 3.06Å
327	K	84.5	Confident	77.6	Confident	56 Å²	56	47.8 Å²	47.8	24%	0.243	24%	0.239	C	C	.	.	H	α-helix	trans	-72.1	-18.5	177.9	-149.2	-156.4	165.1	-154.8	0	114.4	L323 K324 M325 S330 E332 M333 E336	L323-K327 PolarHBondContact O-N 3.12Å; K324-K327 PolarHBondContact O-N 2.85Å; M325-K327 VanDerWaalsContact C-N 3.31Å; M325-K327 PolarHBondContact O-N 2.8Å; K327-S330 WeakPolarHBondContact CA-OG 3.48Å; K327-S330 PolarHBondContact O-OG 3.01Å; K327-E332 WeakPolarHBondContact CE-OE2 3.39Å; K327-E332 HydrophobicContact CG-CB 4.27Å; K327-E332 WeakPolarHBondContact CG-OE2 3.49Å; K327-M333 HydrophobicContact CD-CG 3.65Å; K327-M333 HydrophobicContact CD-SD 3.91Å; K327-M333 HydrophobicContact CG-CG 4.12Å; K327-E336 IonicContact NZ-OE1 3.87Å; K327-E336 IonicContact NZ-OE2 2.67Å; K327-E336 PolarHBondContact NZ-OE2 3.22Å
328	I	85.4	Confident	79.6	Confident	0 Å²	0	44 Å²	44	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-80	-47.4	168.7	-62.8	165.1	0	0	0	109.6	Y246 C249 F250 K324 M325 I326 S330 G331 L756	Y246-I328 HydrophobicContact CD1-CD1 3.5Å; Y246-I328 HydrophobicContact CE1-CD1 4.19Å; Y246-I328 HydrophobicContact CG-CD1 3.81Å; C249-I328 HydrophobicContact CB-CB 3.94Å; C249-I328 HydrophobicContact CB-CG2 3.45Å; C249-I328 VanDerWaalsContact CB-CG2 3.45Å; F250-I328 HydrophobicContact CD1-CG2 3.64Å; F250-I328 HydrophobicContact CD2-CG2 4.03Å; F250-I328 HydrophobicContact CE1-CG1 4.49Å; F250-I328 HydrophobicContact CE1-CG2 3.67Å; F250-I328 HydrophobicContact CE2-CD1 4.06Å; F250-I328 HydrophobicContact CE2-CG1 4.26Å; F250-I328 HydrophobicContact CE2-CG2 4.04Å; F250-I328 HydrophobicContact CG-CG2 3.83Å; F250-I328 HydrophobicContact CZ-CD1 4.29Å; F250-I328 HydrophobicContact CZ-CG1 3.99Å; F250-I328 HydrophobicContact CZ-CG2 3.86Å; K324-I328 WeakPolarHBondContact O-CG1 3.33Å; K324-I328 PolarHBondContact O-N 2.91Å; M325-I328 PolarHBondContact O-N 2.96Å; I326-I328 VanDerWaalsContact C-N 3.3Å; I326-I328 PolarHBondContact O-N 3Å; I328-S330 VanDerWaalsContact C-N 3.29Å; I328-S330 PolarHBondContact O-N 3.11Å; I328-G331 PolarHBondContact O-N 3.37Å; I328-G331 VanDerWaalsContact O-N 3.12Å; I328-L756 HydrophobicContact CD1-CD1 3.93Å; I328-L756 HydrophobicContact CD1-CD2 4.14Å; I328-L756 HydrophobicContact CG1-CD1 4.2Å
329	L	84.9	Confident	81.4	Confident	2 Å²	2	41.2 Å²	41.2	1%	0.01	20%	0.202	C	C	.	.	H	α-helix	trans	-68	-24.8	-179.1	-68.2	171	0	0	0	113.5	C249 L252 L261 V264 I265 L268 M325 I326 G331	C249-L329 HydrophobicContact CB-CD2 3.88Å; C249-L329 HydrophobicContact CB-CG 4.03Å; L252-L329 HydrophobicContact CB-CD2 4.23Å; L252-L329 HydrophobicContact CD1-CD2 4.14Å; L261-L329 HydrophobicContact CD2-CD2 4.13Å; V264-L329 HydrophobicContact CG1-CD1 4.15Å; I265-L329 HydrophobicContact CD1-CB 3.88Å; I265-L329 HydrophobicContact CG1-CB 3.75Å; I265-L329 HydrophobicContact CG1-CD1 4.25Å; L268-L329 HydrophobicContact CD1-CD1 3.66Å; M325-L329 WeakPolarHBondContact O-CG 3.39Å; M325-L329 PolarHBondContact O-N 3.16Å; I326-L329 PolarHBondContact O-N 2.71Å; L329-G331 VanDerWaalsContact C-N 3.25Å; L329-G331 PolarHBondContact O-N 3.19Å
330	S	82.2	Confident	82.6	Confident	30 Å²	30	35.7 Å²	35.7	21%	0.21	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-10	172.7	64.8	0	0	0	0	113.9	I326 K327 I328 E332 H453	I326-S330 WeakPolarHBondContact O-CB 3.32Å; I326-S330 PolarHBondContact O-N 3.09Å; I326-S330 PolarHBondContact O-OG 3.06Å; K327-S330 WeakPolarHBondContact CA-OG 3.48Å; K327-S330 PolarHBondContact O-OG 3.01Å; I328-S330 VanDerWaalsContact C-N 3.29Å; I328-S330 PolarHBondContact O-N 3.11Å; S330-E332 VanDerWaalsContact C-N 3.26Å; S330-E332 WeakPolarHBondContact CB-OE1 3.39Å; S330-E332 PolarHBondContact O-N 3.21Å; S330-E332 PolarHBondContact OG-OE1 3.3Å; S330-H453 PolarHBondContact O-CD2 3.17Å
331	G	81.9	Confident	83.5	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.154	C	C	.	.	S	Bend	trans	83.7	-20.3	177.8	0	0	0	0	0	115.8	Y253 I328 L329 M333 A334 I335	Y253-G331 VanDerWaalsContact CZ-CA 3.49Å; I328-G331 PolarHBondContact O-N 3.37Å; I328-G331 VanDerWaalsContact O-N 3.12Å; L329-G331 VanDerWaalsContact C-N 3.25Å; L329-G331 PolarHBondContact O-N 3.19Å; G331-M333 VanDerWaalsContact C-N 3.29Å; G331-M333 PolarHBondContact O-N 3.02Å; G331-M333 VanDerWaalsContact O-N 3.12Å; G331-A334 WeakPolarHBondContact O-CA 3.49Å; G331-A334 WeakPolarHBondContact O-CB 3.29Å; G331-A334 PolarHBondContact O-N 3.23Å; G331-I335 PolarHBondContact O-N 3.47Å
332	E	83.4	Confident	84.2	Confident	69 Å²	69	30.2 Å²	30.2	32%	0.322	15%	0.151	S	C	.	.	H	α-helix	trans	-43.9	-51.1	-177.7	-67.6	163.6	-119.1	0	0	112.6	K327 S330 A334 I335 E336	K327-E332 WeakPolarHBondContact CE-OE2 3.39Å; K327-E332 HydrophobicContact CG-CB 4.27Å; K327-E332 WeakPolarHBondContact CG-OE2 3.49Å; S330-E332 VanDerWaalsContact C-N 3.26Å; S330-E332 WeakPolarHBondContact CB-OE1 3.39Å; S330-E332 PolarHBondContact O-N 3.21Å; S330-E332 PolarHBondContact OG-OE1 3.3Å; E332-A334 PolarHBondContact O-N 3.23Å; E332-I335 PolarHBondContact O-N 3.2Å; E332-E336 WeakPolarHBondContact O-CB 3.45Å; E332-E336 VanDerWaalsContact O-CG 3.3Å; E332-E336 WeakPolarHBondContact O-CG 3.46Å; E332-E336 PolarHBondContact O-N 2.84Å
333	M	83.4	Confident	84.6	Confident	31 Å²	31	29.6 Å²	29.6	15%	0.153	15%	0.146	C	C	.	.	H	α-helix	trans	-69.2	-34.8	-178.1	-63.7	-162.2	71.9	0	0	113.1	K327 G331 L337 L756	K327-M333 HydrophobicContact CD-CG 3.65Å; K327-M333 HydrophobicContact CD-SD 3.91Å; K327-M333 HydrophobicContact CG-CG 4.12Å; G331-M333 VanDerWaalsContact C-N 3.29Å; G331-M333 PolarHBondContact O-N 3.02Å; G331-M333 VanDerWaalsContact O-N 3.12Å; M333-L337 WeakPolarHBondContact O-CB 3.28Å; M333-L337 WeakPolarHBondContact O-CD1 3.22Å; M333-L337 WeakPolarHBondContact O-CG 3.25Å; M333-L337 PolarHBondContact O-N 3.01Å; M333-L756 HydrophobicContact CE-CB 3.65Å; M333-L756 HydrophobicContact CE-CD1 4.13Å; M333-L756 HydrophobicContact SD-CB 4.46Å; M333-L756 HydrophobicContact SD-CD1 3.83Å
334	A	86.3	Confident	84.7	Confident	1 Å²	1	28.2 Å²	28.2	1%	0.008	13%	0.133	C	C	.	.	H	α-helix	trans	-68.7	-38.5	176.1	0	0	0	0	0	111	Y253 G331 E332 H338 I872	Y253-A334 HydrophobicContact CD1-CB 3.93Å; Y253-A334 HydrophobicContact CE1-CB 3.53Å; G331-A334 WeakPolarHBondContact O-CA 3.49Å; G331-A334 WeakPolarHBondContact O-CB 3.29Å; G331-A334 PolarHBondContact O-N 3.23Å; E332-A334 PolarHBondContact O-N 3.23Å; A334-H338 WeakPolarHBondContact O-CB 3.49Å; A334-H338 PolarHBondContact O-CD2 3.17Å; A334-H338 PolarHBondContact O-N 2.91Å; A334-I872 HydrophobicContact CB-CD1 3.91Å
335	I	86.7	Confident	84.8	Confident	23 Å²	23	26.6 Å²	26.6	12%	0.118	13%	0.128	C	C	.	.	H	α-helix	trans	-64	-51.5	173.6	-65.7	171.8	0	0	0	110.5	G331 E332 L337 H338 L339 G414 E416 H453	G331-I335 PolarHBondContact O-N 3.47Å; E332-I335 PolarHBondContact O-N 3.2Å; I335-L337 VanDerWaalsContact C-N 3.28Å; I335-L337 PolarHBondContact O-N 3.14Å; I335-H338 PolarHBondContact O-N 2.91Å; I335-L339 WeakPolarHBondContact O-CB 3.38Å; I335-L339 PolarHBondContact O-N 3.18Å; I335-G414 VanDerWaalsContact CG2-CA 3.46Å; I335-G414 WeakPolarHBondContact CG2-O 3.48Å; I335-E416 WeakPolarHBondContact CD1-OE1 3.16Å; I335-H453 HydrophobicContact CD1-CB 4.38Å
336	E	85.2	Confident	84.8	Confident	59 Å²	59	28.8 Å²	28.8	28%	0.276	14%	0.14	S	C	.	.	H	α-helix	trans	-53.6	-43.8	177	-74.7	176	140.1	0	0	111.5	K327 E332 Q340 K417	K327-E336 IonicContact NZ-OE1 3.87Å; K327-E336 IonicContact NZ-OE2 2.67Å; K327-E336 PolarHBondContact NZ-OE2 3.22Å; E332-E336 WeakPolarHBondContact O-CB 3.45Å; E332-E336 VanDerWaalsContact O-CG 3.3Å; E332-E336 WeakPolarHBondContact O-CG 3.46Å; E332-E336 PolarHBondContact O-N 2.84Å; E336-Q340 WeakPolarHBondContact O-CB 3.4Å; E336-Q340 WeakPolarHBondContact O-CG 3.45Å; E336-Q340 PolarHBondContact O-N 2.94Å; E336-K417 IonicContact OE1-NZ 3.55Å; E336-K417 PolarHBondContact OE1-NZ 2.95Å
337	L	87.1	Confident	84.7	Confident	13 Å²	13	31.4 Å²	31.4	7%	0.068	15%	0.154	C	C	.	.	H	α-helix	trans	-71.8	-41.7	179.6	-70.7	167.4	0	0	0	113.5	M333 I335 Q340 F341 I750 L752 M758 I872	M333-L337 WeakPolarHBondContact O-CB 3.28Å; M333-L337 WeakPolarHBondContact O-CD1 3.22Å; M333-L337 WeakPolarHBondContact O-CG 3.25Å; M333-L337 PolarHBondContact O-N 3.01Å; I335-L337 VanDerWaalsContact C-N 3.28Å; I335-L337 PolarHBondContact O-N 3.14Å; L337-Q340 PolarHBondContact O-N 3.32Å; L337-F341 PolarHBondContact O-N 3.49Å; L337-I750 HydrophobicContact CB-CD1 4.01Å; L337-I750 HydrophobicContact CD2-CG2 4.35Å; L337-L752 HydrophobicContact CD1-CD1 3.71Å; L337-L752 HydrophobicContact CD1-CD2 3.84Å; L337-L752 HydrophobicContact CD1-CG 4.27Å; L337-L752 HydrophobicContact CD2-CD2 3.95Å; L337-M758 HydrophobicContact CD2-CE 3.94Å; L337-M758 HydrophobicContact CD2-CG 3.75Å; L337-M758 HydrophobicContact CD2-SD 3.65Å; L337-I872 HydrophobicContact CD1-CD1 4.13Å
338	H	88.1	Confident	84.5	Confident	42 Å²	42	29.6 Å²	29.6	19%	0.194	15%	0.148	C	C	.	.	H	α-helix	trans	-66.4	-38.9	176.2	-71.9	-28.1	0	0	0	112.1	A334 I335 F341 L342 P746	A334-H338 WeakPolarHBondContact O-CB 3.49Å; A334-H338 PolarHBondContact O-CD2 3.17Å; A334-H338 PolarHBondContact O-N 2.91Å; I335-H338 PolarHBondContact O-N 2.91Å; H338-F341 WeakPolarHBondContact O-CB 2.79Å; H338-F341 PolarHBondContact O-N 2.73Å; H338-L342 WeakPolarHBondContact O-CG 3.39Å; H338-L342 PolarHBondContact O-N 2.89Å; H338-P746 HydrophobicContact CB-CG 3.96Å
339	L	87.5	Confident	84.2	Confident	18 Å²	18	30.7 Å²	30.7	9%	0.094	15%	0.153	C	C	.	.	H	α-helix	trans	-61.7	-48.2	173	173.7	61.2	0	0	0	111.6	I335 F341 L342 I343 G379 T381 H415	I335-L339 WeakPolarHBondContact O-CB 3.38Å; I335-L339 PolarHBondContact O-N 3.18Å; L339-F341 VanDerWaalsContact C-N 3.25Å; L339-F341 PolarHBondContact O-N 3.44Å; L339-L342 PolarHBondContact O-N 3.35Å; L339-L342 VanDerWaalsContact O-N 3.16Å; L339-I343 HydrophobicContact CD1-CD1 3.68Å; L339-I343 HydrophobicContact CD1-CG1 4.07Å; L339-I343 HydrophobicContact CG-CD1 3.89Å; L339-I343 WeakPolarHBondContact O-CG1 3.43Å; L339-I343 PolarHBondContact O-N 3.37Å; L339-G379 WeakPolarHBondContact CD1-O 3.4Å; L339-T381 HydrophobicContact CD1-CG2 4.29Å; L339-H415 VanDerWaalsContact CD2-CD2 3.4Å; L339-H415 WeakPolarHBondContact CD2-CD2 3.01Å; L339-H415 WeakPolarHBondContact CD2-NE2 3.39Å
340	Q	83.4	Confident	84	Confident	32 Å²	32	32.3 Å²	32.3	15%	0.15	16%	0.162	C	C	.	.	H	α-helix	trans	-57.7	-36.3	173.9	-78.9	-68.6	-48.5	0	0	113	E336 L337 R344 M758 V889	E336-Q340 WeakPolarHBondContact O-CB 3.4Å; E336-Q340 WeakPolarHBondContact O-CG 3.45Å; E336-Q340 PolarHBondContact O-N 2.94Å; L337-Q340 PolarHBondContact O-N 3.32Å; Q340-R344 WeakPolarHBondContact O-CD 3.44Å; Q340-R344 VanDerWaalsContact O-CG 3.28Å; Q340-R344 WeakPolarHBondContact O-CG 3.49Å; Q340-R344 PolarHBondContact O-N 3.28Å; Q340-R344 PolarHBondContact O-NE 2.95Å; Q340-M758 HydrophobicContact CB-CE 4.47Å; Q340-V889 PolarHBondContact NE2-O 3.25Å
341	F	87.2	Confident	84	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-69.5	-42.7	174.8	161.8	-106	0	0	0	112.5	L337 H338 L339 N345 N704 P746 C748 P842 R844	L337-F341 PolarHBondContact O-N 3.49Å; H338-F341 WeakPolarHBondContact O-CB 2.79Å; H338-F341 PolarHBondContact O-N 2.73Å; L339-F341 VanDerWaalsContact C-N 3.25Å; L339-F341 PolarHBondContact O-N 3.44Å; F341-N345 WeakPolarHBondContact CD2-ND2 3.43Å; F341-N345 HydrophobicContact CE2-CB 4.29Å; F341-N345 WeakPolarHBondContact CE2-ND2 3.45Å; F341-N345 WeakPolarHBondContact O-CB 3.41Å; F341-N345 PolarHBondContact O-N 3.27Å; F341-N345 VanDerWaalsContact O-N 3.07Å; F341-N345 PolarHBondContact O-ND2 3.35Å; F341-N704 HydrophobicContact CE1-CB 3.75Å; F341-N704 HydrophobicContact CZ-CB 3.88Å; F341-N704 WeakPolarHBondContact CZ-OD1 3.38Å; F341-P746 HydrophobicContact CD1-CB 4.28Å; F341-P746 HydrophobicContact CE1-CB 4.14Å; F341-C748 HydrophobicContact CD1-CB 4Å; F341-C748 HydrophobicContact CD2-CB 4.09Å; F341-C748 HydrophobicContact CE1-CB 3.74Å; F341-C748 HydrophobicContact CE2-CB 3.87Å; F341-C748 HydrophobicContact CG-CB 4.17Å; F341-C748 HydrophobicContact CZ-CB 3.7Å; F341-P842 HydrophobicContact CB-CB 4.25Å; F341-P842 HydrophobicContact CB-CG 4.04Å; F341-P842 HydrophobicContact CD2-CB 3.99Å; F341-P842 HydrophobicContact CD2-CG 4.08Å; F341-R844 HydrophobicContact CE2-CB 4.2Å; F341-R844 HydrophobicContact CZ-CB 4Å
342	L	87.6	Confident	84	Confident	13 Å²	13	34.4 Å²	34.4	7%	0.068	17%	0.17	C	C	.	.	H	α-helix	trans	-72.1	-36.6	-179	-71.3	173.9	0	0	0	113.5	H338 L339 G379 N704 V705	H338-L342 WeakPolarHBondContact O-CG 3.39Å; H338-L342 PolarHBondContact O-N 2.89Å; L339-L342 PolarHBondContact O-N 3.35Å; L339-L342 VanDerWaalsContact O-N 3.16Å; L342-G379 WeakPolarHBondContact CB-O 3.45Å; L342-N704 HydrophobicContact CD2-CB 3.64Å; L342-V705 HydrophobicContact CD2-CG1 4.17Å
343	I	85.6	Confident	84.1	Confident	24 Å²	24	31.4 Å²	31.4	12%	0.123	16%	0.156	C	C	.	.	H	α-helix	trans	-63.1	-47.2	174.8	-69.9	167.1	0	0	0	110.4	L339 T381 V889 A891	L339-I343 HydrophobicContact CD1-CD1 3.68Å; L339-I343 HydrophobicContact CD1-CG1 4.07Å; L339-I343 HydrophobicContact CG-CD1 3.89Å; L339-I343 WeakPolarHBondContact O-CG1 3.43Å; L339-I343 PolarHBondContact O-N 3.37Å; I343-T381 HydrophobicContact CD1-CG2 4.47Å; I343-V889 HydrophobicContact CG2-CG1 3.99Å; I343-A891 HydrophobicContact CD1-CB 4.05Å
344	R	82.5	Confident	84.1	Confident	78 Å²	78	33.5 Å²	33.5	29%	0.294	16%	0.164	S	C	.	.	H	α-helix	trans	-68.3	-47.5	-178.8	-68.5	174.1	-152.6	-112.3	2	113.3	Q340 N346 V886 E887 V889	Q340-R344 WeakPolarHBondContact O-CD 3.44Å; Q340-R344 VanDerWaalsContact O-CG 3.28Å; Q340-R344 WeakPolarHBondContact O-CG 3.49Å; Q340-R344 PolarHBondContact O-N 3.28Å; Q340-R344 PolarHBondContact O-NE 2.95Å; R344-N346 VanDerWaalsContact C-N 3.27Å; R344-N346 PolarHBondContact O-N 3.07Å; R344-V886 VanDerWaalsContact NH1-CG1 3.33Å; R344-E887 VanDerWaalsContact CZ-O 3.22Å; R344-E887 PolarHBondContact NH1-O 3.12Å; R344-E887 PolarHBondContact NH2-O 3.09Å; R344-V889 HydrophobicContact CG-CB 4.39Å; R344-V889 HydrophobicContact CG-CG2 4.07Å
345	N	83.2	Confident	84.1	Confident	44 Å²	44	36.8 Å²	36.8	24%	0.235	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	33	-171.5	-69.7	-66.3	0	0	0	112.9	F341 N347 N704 P842	F341-N345 WeakPolarHBondContact CD2-ND2 3.43Å; F341-N345 HydrophobicContact CE2-CB 4.29Å; F341-N345 WeakPolarHBondContact CE2-ND2 3.45Å; F341-N345 WeakPolarHBondContact O-CB 3.41Å; F341-N345 PolarHBondContact O-N 3.27Å; F341-N345 VanDerWaalsContact O-N 3.07Å; F341-N345 PolarHBondContact O-ND2 3.35Å; N345-N347 PolarHBondContact O-N 2.9Å; N345-N347 PolarHBondContact O-ND2 3.2Å; N345-N704 PolarHBondContact O-ND2 3.03Å; N345-P842 PolarHBondContact ND2-O 2.93Å
346	N	81.3	Confident	84	Confident	51 Å²	51	36 Å²	36	27%	0.273	18%	0.178	S	C	.	.			trans	-73.3	88.4	-175.9	-175.1	23.2	0	0	0	112.8	R344 T348 T380	R344-N346 VanDerWaalsContact C-N 3.27Å; R344-N346 PolarHBondContact O-N 3.07Å; N346-T348 PolarHBondContact O-N 3.18Å; N346-T348 VanDerWaalsContact OD1-CG2 3.3Å; N346-T348 WeakPolarHBondContact OD1-CG2 3.49Å; N346-T348 PolarHBondContact OD1-N 3.35Å; N346-T348 PolarHBondContact OD1-OG1 2.92Å; N346-T380 HydrophobicContact CB-CG2 4.49Å
347	N	81.7	Confident	84	Confident	73 Å²	73	35.4 Å²	35.4	39%	0.39	17%	0.174	S	C	.	.			trans	-94.6	29.5	-179.8	-69.8	-86.6	0	0	0	113.3	N345 Y774	N345-N347 PolarHBondContact O-N 2.9Å; N345-N347 PolarHBondContact O-ND2 3.2Å; N347-Y774 HydrophobicContact CB-CD1 4.1Å; N347-Y774 HydrophobicContact CB-CE1 4.24Å; N347-Y774 HydrophobicContact CB-CG 4.41Å
348	T	79.4	Confident	83.8	Confident	18 Å²	18	40.2 Å²	40.2	11%	0.11	20%	0.2	C	C	.	.			trans	-72.8	133.9	176.1	52.8	0	0	0	0	112.9	N346 M376 H377	N346-T348 PolarHBondContact O-N 3.18Å; N346-T348 VanDerWaalsContact OD1-CG2 3.3Å; N346-T348 WeakPolarHBondContact OD1-CG2 3.49Å; N346-T348 PolarHBondContact OD1-N 3.35Å; N346-T348 PolarHBondContact OD1-OG1 2.92Å; T348-M376 HydrophobicContact CG2-CB 4.24Å; T348-M376 WeakPolarHBondContact CG2-O 3.47Å; T348-H377 PolarHBondContact OG1-CE1 3.33Å
349	D	80.6	Confident	83.4	Confident	23 Å²	23	39.9 Å²	39.9	12%	0.123	20%	0.204	C	C	.	.			trans	-93.3	105.3	173.7	-176.8	1.9	0	0	0	112.4	M351 I352 P777 L778	D349-M351 PolarHBondContact O-N 3.5Å; D349-M351 WeakPolarHBondContact OD1-CA 3.38Å; D349-M351 WeakPolarHBondContact OD1-CB 3.43Å; D349-M351 PolarHBondContact OD1-N 3.09Å; D349-I352 HydrophobicContact CB-CD1 3.98Å; D349-I352 HydrophobicContact CB-CG1 4.09Å; D349-I352 PolarHBondContact O-N 2.94Å; D349-P777 HydrophobicContact CB-CB 4.39Å; D349-L778 WeakPolarHBondContact OD2-CB 3.25Å; D349-L778 PolarHBondContact OD2-N 2.88Å
350	L	80.9	Confident	82.9	Confident	37 Å²	37	39.9 Å²	39.9	19%	0.194	21%	0.205	C	C	.	.	H	α-helix	trans	-65.7	-15.5	177	-73.6	79.3	0	0	0	113.3	L353 K354	L350-L353 PolarHBondContact O-N 3.38Å; L350-K354 WeakPolarHBondContact O-CG 3.32Å; L350-K354 PolarHBondContact O-N 3.2Å
351	M	81	Confident	82.2	Confident	53 Å²	53	48.5 Å²	48.5	26%	0.261	24%	0.236	S	C	.	.	H	α-helix	trans	-70.4	-32.6	174.6	-63.3	-64.7	169.1	0	0	111.8	D349 K354 N355 V780	D349-M351 PolarHBondContact O-N 3.5Å; D349-M351 WeakPolarHBondContact OD1-CA 3.38Å; D349-M351 WeakPolarHBondContact OD1-CB 3.43Å; D349-M351 PolarHBondContact OD1-N 3.09Å; M351-K354 PolarHBondContact O-N 3.36Å; M351-K354 HydrophobicContact SD-CD 4.47Å; M351-N355 WeakPolarHBondContact O-CB 3.37Å; M351-N355 PolarHBondContact O-N 3.44Å; M351-N355 PolarHBondContact O-ND2 3.15Å; M351-V780 HydrophobicContact CE-CG1 4.03Å; M351-V780 HydrophobicContact CE-CG2 4.03Å; M351-V780 HydrophobicContact SD-CG1 4.45Å
352	I	82.9	Confident	81.6	Confident	21 Å²	21	52.5 Å²	52.5	11%	0.108	26%	0.258	C	S	.	.	H	α-helix	trans	-61.1	-48	174.3	-60.5	176.8	0	0	0	109.4	D349 K354 N355 T356 M376 D699 L778	D349-I352 HydrophobicContact CB-CD1 3.98Å; D349-I352 HydrophobicContact CB-CG1 4.09Å; D349-I352 PolarHBondContact O-N 2.94Å; I352-K354 PolarHBondContact O-N 3.26Å; I352-N355 PolarHBondContact O-N 3.48Å; I352-T356 WeakPolarHBondContact O-CB 3.38Å; I352-T356 PolarHBondContact O-N 2.98Å; I352-T356 PolarHBondContact O-OG1 3.28Å; I352-T356 VanDerWaalsContact O-OG1 3.13Å; I352-M376 HydrophobicContact CB-CE 4.48Å; I352-D699 WeakPolarHBondContact CD1-OD2 3.08Å; I352-L778 HydrophobicContact CG1-CD1 3.86Å
353	L	83.8	Confident	80.8	Confident	5 Å²	5	55.4 Å²	55.4	3%	0.026	28%	0.279	C	S	.	.	H	α-helix	trans	-63.2	-40.6	176.8	-71.3	169.1	0	0	0	112.9	L350 T356 K357 N373 M376 H377 F385	L350-L353 PolarHBondContact O-N 3.38Å; L353-T356 PolarHBondContact O-N 3.4Å; L353-K357 VanDerWaalsContact O-CB 3.26Å; L353-K357 WeakPolarHBondContact O-CB 3.47Å; L353-K357 PolarHBondContact O-N 3.21Å; L353-N373 HydrophobicContact CD1-CB 4.41Å; L353-N373 WeakPolarHBondContact CD1-OD1 3.48Å; L353-N373 HydrophobicContact CD2-CB 3.96Å; L353-M376 HydrophobicContact CD1-CE 4.17Å; L353-M376 HydrophobicContact CD1-SD 4.15Å; L353-M376 HydrophobicContact CD2-SD 3.64Å; L353-M376 HydrophobicContact CG-CE 3.97Å; L353-M376 HydrophobicContact CG-SD 3.76Å; L353-H377 WeakPolarHBondContact CD1-NE2 3.46Å; L353-F385 HydrophobicContact CB-CD2 3.99Å; L353-F385 HydrophobicContact CB-CE2 3.79Å; L353-F385 HydrophobicContact CB-CZ 4.48Å; L353-F385 HydrophobicContact CD1-CD2 4.33Å; L353-F385 HydrophobicContact CD1-CG 4.47Å
354	K	84.9	Confident	80.6	Confident	75 Å²	75	56.3 Å²	56.3	33%	0.326	29%	0.286	S	S	.	.	H	α-helix	trans	-64.7	-46.8	176.7	-74.8	168.7	-179.5	173.9	0	111.8	L350 M351 I352 T356 K357 D358	L350-K354 WeakPolarHBondContact O-CG 3.32Å; L350-K354 PolarHBondContact O-N 3.2Å; M351-K354 PolarHBondContact O-N 3.36Å; M351-K354 HydrophobicContact SD-CD 4.47Å; I352-K354 PolarHBondContact O-N 3.26Å; K354-T356 PolarHBondContact O-N 3.34Å; K354-K357 PolarHBondContact O-N 2.98Å; K354-D358 PolarHBondContact O-N 3.03Å
355	N	85.2	Confident	80.5	Confident	70 Å²	70	52.9 Å²	52.9	37%	0.374	27%	0.274	S	S	.	.	H	α-helix	trans	-59	-45.2	175.1	-69.5	-34.6	0	0	0	111.9	M351 I352 D358 A359	M351-N355 WeakPolarHBondContact O-CB 3.37Å; M351-N355 PolarHBondContact O-N 3.44Å; M351-N355 PolarHBondContact O-ND2 3.15Å; I352-N355 PolarHBondContact O-N 3.48Å; N355-D358 PolarHBondContact O-N 3.15Å; N355-A359 PolarHBondContact O-N 3.35Å; N355-A359 VanDerWaalsContact O-N 3.15Å
356	T	84.4	Confident	80.5	Confident	8 Å²	8	51.6 Å²	51.6	5%	0.049	27%	0.266	C	S	.	.	H	α-helix	trans	-65.7	-44.3	178.7	-65.1	0	0	0	0	111.7	I352 L353 K354 D358 A359 V360 T369 I678 I692 Q695	I352-T356 WeakPolarHBondContact O-CB 3.38Å; I352-T356 PolarHBondContact O-N 2.98Å; I352-T356 PolarHBondContact O-OG1 3.28Å; I352-T356 VanDerWaalsContact O-OG1 3.13Å; L353-T356 PolarHBondContact O-N 3.4Å; K354-T356 PolarHBondContact O-N 3.34Å; T356-D358 PolarHBondContact O-N 3.13Å; T356-A359 PolarHBondContact O-N 3.38Å; T356-V360 HydrophobicContact CG2-CG2 4.42Å; T356-V360 WeakPolarHBondContact O-CB 3.27Å; T356-V360 WeakPolarHBondContact O-CG2 3.41Å; T356-V360 PolarHBondContact O-N 2.97Å; T356-V360 VanDerWaalsContact O-N 3.11Å; T356-T369 HydrophobicContact CG2-CG2 4.24Å; T356-I678 HydrophobicContact CG2-CG2 4.33Å; T356-I692 HydrophobicContact CG2-CD1 4.17Å; T356-I692 HydrophobicContact CG2-CG1 3.85Å; T356-I692 HydrophobicContact CG2-CG2 4.09Å; T356-Q695 PolarHBondContact OG1-OE1 3.18Å
357	K	85.3	Confident	80.8	Confident	46 Å²	46	49.8 Å²	49.8	20%	0.2	26%	0.257	C	S	.	.	H	α-helix	trans	-57	-45.5	174.8	-179.8	-152.8	162.1	-162.1	0	112.1	L353 K354 V360 F385 N389 W392	L353-K357 VanDerWaalsContact O-CB 3.26Å; L353-K357 WeakPolarHBondContact O-CB 3.47Å; L353-K357 PolarHBondContact O-N 3.21Å; K354-K357 PolarHBondContact O-N 2.98Å; K357-V360 PolarHBondContact O-N 2.96Å; K357-V360 VanDerWaalsContact O-N 3.16Å; K357-F385 HydrophobicContact CB-CZ 4.42Å; K357-N389 WeakPolarHBondContact CE-OD1 3.12Å; K357-N389 PolarHBondContact NZ-OD1 2.97Å; K357-W392 HydrophobicContact CG-CD2 4.38Å; K357-W392 HydrophobicContact CG-CZ2 4.1Å
358	D	83.8	Confident	81.1	Confident	114 Å²	114	46.3 Å²	46.3	61%	0.61	24%	0.238	S	C	*	.	H	α-helix	trans	-74.4	-26.7	-175	-70.6	-12.9	0	0	0	113	K354 N355 T356	K354-D358 PolarHBondContact O-N 3.03Å; N355-D358 PolarHBondContact O-N 3.15Å; T356-D358 PolarHBondContact O-N 3.13Å
359	A	79.8	Confident	81.5	Confident	34 Å²	34	45.4 Å²	45.4	28%	0.281	23%	0.233	S	C	.	.	H	α-helix	trans	-70.9	-31.3	167.8	0	0	0	0	0	112.6	N355 T356 I678	N355-A359 PolarHBondContact O-N 3.35Å; N355-A359 VanDerWaalsContact O-N 3.15Å; T356-A359 PolarHBondContact O-N 3.38Å; A359-I678 HydrophobicContact CB-CG2 3.98Å
360	V	76.4	Confident	81.9	Confident	19 Å²	19	44.4 Å²	44.4	12%	0.115	23%	0.227	C	C	.	.			trans	-82.9	121.3	-169.7	158.8	0	0	0	0	113.6	T356 K357 C365 I692	T356-V360 HydrophobicContact CG2-CG2 4.42Å; T356-V360 WeakPolarHBondContact O-CB 3.27Å; T356-V360 WeakPolarHBondContact O-CG2 3.41Å; T356-V360 PolarHBondContact O-N 2.97Å; T356-V360 VanDerWaalsContact O-N 3.11Å; K357-V360 PolarHBondContact O-N 2.96Å; K357-V360 VanDerWaalsContact O-N 3.16Å; V360-C365 HydrophobicContact CB-CB 4.28Å; V360-C365 HydrophobicContact CG1-CB 3.65Å; V360-C365 HydrophobicContact CG2-CB 3.73Å; V360-I692 HydrophobicContact CG2-CD1 3.77Å
361	R	69.9	Low	82.4	Confident	213 Å²	213	42.6 Å²	42.6	80%	0.804	22%	0.218	S	C	*	.			trans	-123.1	-11.9	178.8	-59.3	-175.7	-178.7	-155.2	-5	114.9
362	N	74	Confident	82.9	Confident	84 Å²	84	40.3 Å²	40.3	45%	0.449	21%	0.207	S	C	.	.	S	Bend	trans	-103.4	143.6	-173.4	-65.8	0.3	0	0	0	111.3	V364 C365 H366 V685	N362-V364 PolarHBondContact O-N 3.33Å; N362-C365 CarbonylContact O-C 3.57Å; N362-C365 WeakPolarHBondContact O-CA 3.5Å; N362-C365 PolarHBondContact O-N 3.21Å; N362-H366 PolarHBondContact O-N 3.23Å; N362-V685 WeakPolarHBondContact ND2-CG2 3.36Å
363	S	69.8	Low	83.3	Confident	73 Å²	73	39.3 Å²	39.3	51%	0.51	20%	0.202	S	C	.	.	H	α-helix	trans	-56.6	-41.3	-177	-174	0	0	0	0	113.8	C365 H366 T367	S363-C365 VanDerWaalsContact C-N 3.29Å; S363-C365 PolarHBondContact O-N 3.16Å; S363-H366 WeakPolarHBondContact O-CB 3.36Å; S363-H366 PolarHBondContact O-N 3.46Å; S363-T367 PolarHBondContact O-N 3.25Å; S363-T367 VanDerWaalsContact O-N 3.1Å; S363-T367 PolarHBondContact O-OG1 2.69Å
364	V	82.4	Confident	83.7	Confident	44 Å²	44	39 Å²	39	27%	0.267	20%	0.201	S	C	.	.	H	α-helix	trans	-61.2	-37.7	175.3	174.7	0	0	0	0	111.9	N362 A368 V685 F689	N362-V364 PolarHBondContact O-N 3.33Å; V364-A368 PolarHBondContact O-N 3.46Å; V364-V685 HydrophobicContact CB-CG1 4.07Å; V364-V685 HydrophobicContact CG1-CG1 4.25Å; V364-F689 HydrophobicContact CG1-CB 4.34Å; V364-F689 HydrophobicContact CG1-CD2 3.63Å; V364-F689 HydrophobicContact CG1-CE2 4.37Å; V364-F689 HydrophobicContact CG1-CG 4.29Å
365	C	80.9	Confident	84	Confident	6 Å²	6	35.5 Å²	35.5	4%	0.041	19%	0.185	C	C	.	.	H	α-helix	trans	-78.7	-26.2	178.2	-56.1	0	0	0	0	112.7	V360 N362 S363 A368 T369 I692	V360-C365 HydrophobicContact CB-CB 4.28Å; V360-C365 HydrophobicContact CG1-CB 3.65Å; V360-C365 HydrophobicContact CG2-CB 3.73Å; N362-C365 CarbonylContact O-C 3.57Å; N362-C365 WeakPolarHBondContact O-CA 3.5Å; N362-C365 PolarHBondContact O-N 3.21Å; S363-C365 VanDerWaalsContact C-N 3.29Å; S363-C365 PolarHBondContact O-N 3.16Å; C365-A368 PolarHBondContact O-N 3.45Å; C365-T369 WeakPolarHBondContact O-CB 3.5Å; C365-T369 PolarHBondContact O-N 3.02Å; C365-T369 PolarHBondContact O-OG1 3.25Å; C365-I692 HydrophobicContact CB-CD1 4.09Å
366	H	82.9	Confident	84.3	Confident	17 Å²	17	32.3 Å²	32.3	8%	0.079	17%	0.168	C	C	.	.	H	α-helix	trans	-59.9	-53.8	168.1	176.9	-71	0	0	0	109.5	N362 S363 A368 T369 V370 W392 L393 A396	N362-H366 PolarHBondContact O-N 3.23Å; S363-H366 WeakPolarHBondContact O-CB 3.36Å; S363-H366 PolarHBondContact O-N 3.46Å; H366-A368 VanDerWaalsContact C-N 3.32Å; H366-A368 PolarHBondContact O-N 3.21Å; H366-T369 WeakPolarHBondContact O-CB 3.41Å; H366-T369 PolarHBondContact O-N 3.45Å; H366-V370 WeakPolarHBondContact O-CG2 3.26Å; H366-V370 PolarHBondContact O-N 3.18Å; H366-W392 HydrophobicContact CB-CZ2 4.35Å; H366-W392 AromaticContact CD2-CD2 3.75Å; H366-W392 AromaticContact CD2-CE2 3.38Å; H366-W392 AromaticContact CD2-CH2 3.8Å; H366-W392 AromaticContact CD2-CZ2 3.42Å; H366-W392 VanDerWaalsContact CD2-CZ2 3.42Å; H366-W392 WeakPolarHBondContact CD2-CZ2 3.07Å; H366-W392 AromaticContact CD2-NE1 3.86Å; H366-W392 AromaticContact CG-CZ2 3.92Å; H366-W392 AromaticContact NE2-CD2 3.32Å; H366-W392 VanDerWaalsContact NE2-CD2 3.32Å; H366-W392 AromaticContact NE2-CE2 3.8Å; H366-W392 AromaticContact NE2-CE3 3.31Å; H366-W392 VanDerWaalsContact NE2-CE3 3.31Å; H366-W392 AromaticContact NE2-CG 3.8Å; H366-W392 AromaticContact NE2-CZ3 3.78Å; H366-W392 PolarHBondContact NE2-O 3.09Å; H366-L393 WeakPolarHBondContact NE2-CA 3.33Å; H366-L393 PolarHBondContact NE2-N 3.27Å; H366-L393 VanDerWaalsContact NE2-N 3.18Å; H366-A396 VanDerWaalsContact CE1-CB 3.4Å; H366-A396 WeakPolarHBondContact CE1-CB 3.22Å
367	T	86.5	Confident	84.6	Confident	12 Å²	12	32 Å²	32	7%	0.074	17%	0.166	C	C	.	.	H	α-helix	trans	-51.5	-48.5	172.9	-52.9	0	0	0	0	111.7	S363 T369 V370 I371 T403	S363-T367 PolarHBondContact O-N 3.25Å; S363-T367 VanDerWaalsContact O-N 3.1Å; S363-T367 PolarHBondContact O-OG1 2.69Å; T367-T369 VanDerWaalsContact C-N 3.33Å; T367-T369 PolarHBondContact O-N 3.31Å; T367-V370 PolarHBondContact O-N 3.19Å; T367-I371 HydrophobicContact CG2-CD1 3.92Å; T367-I371 WeakPolarHBondContact O-CD1 3.43Å; T367-I371 VanDerWaalsContact O-CG1 3.28Å; T367-I371 WeakPolarHBondContact O-CG1 3.36Å; T367-I371 PolarHBondContact O-N 3.21Å; T367-T403 HydrophobicContact CG2-CG2 3.69Å
368	A	87.8	Confident	84.8	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-58	-42.1	176.6	0	0	0	0	0	113.3	V364 C365 H366 I371 A372 F689 I692	V364-A368 PolarHBondContact O-N 3.46Å; C365-A368 PolarHBondContact O-N 3.45Å; H366-A368 VanDerWaalsContact C-N 3.32Å; H366-A368 PolarHBondContact O-N 3.21Å; A368-I371 PolarHBondContact O-N 3.11Å; A368-A372 WeakPolarHBondContact O-CB 3.45Å; A368-A372 PolarHBondContact O-N 3.16Å; A368-F689 HydrophobicContact CB-CD2 3.58Å; A368-F689 HydrophobicContact CB-CE2 3.95Å; A368-F689 HydrophobicContact CB-CG 4.27Å; A368-I692 HydrophobicContact CB-CB 3.99Å; A368-I692 HydrophobicContact CB-CD1 4.09Å; A368-I692 HydrophobicContact CB-CG2 3.79Å; A368-I692 WeakPolarHBondContact O-CG2 3.37Å
369	T	88.9	Confident	85	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-68.7	-38.3	-177.7	-54.5	0	0	0	0	111.2	T356 C365 H366 T367 A372 N373 F385 W392	T356-T369 HydrophobicContact CG2-CG2 4.24Å; C365-T369 WeakPolarHBondContact O-CB 3.5Å; C365-T369 PolarHBondContact O-N 3.02Å; C365-T369 PolarHBondContact O-OG1 3.25Å; H366-T369 WeakPolarHBondContact O-CB 3.41Å; H366-T369 PolarHBondContact O-N 3.45Å; T367-T369 VanDerWaalsContact C-N 3.33Å; T367-T369 PolarHBondContact O-N 3.31Å; T369-A372 PolarHBondContact O-N 3.02Å; T369-N373 WeakPolarHBondContact O-CB 3.33Å; T369-N373 PolarHBondContact O-N 3.49Å; T369-F385 HydrophobicContact CG2-CZ 4.37Å; T369-W392 HydrophobicContact CG2-CH2 3.91Å; T369-W392 HydrophobicContact CG2-CZ2 4.3Å
370	V	89.5	Confident	85.2	Confident	1 Å²	1	23.5 Å²	23.5	1%	0.006	12%	0.12	C	C	.	.	H	α-helix	trans	-69.9	-39.6	175.8	-174	0	0	0	0	111.2	H366 T367 N373 S374 L386 W392 A404	H366-V370 WeakPolarHBondContact O-CG2 3.26Å; H366-V370 PolarHBondContact O-N 3.18Å; T367-V370 PolarHBondContact O-N 3.19Å; V370-N373 PolarHBondContact O-N 3.34Å; V370-S374 PolarHBondContact O-N 3.37Å; V370-L386 HydrophobicContact CG1-CD2 4.29Å; V370-W392 HydrophobicContact CG2-CH2 3.76Å; V370-W392 HydrophobicContact CG2-CZ3 3.66Å; V370-A404 HydrophobicContact CG1-CB 4.33Å
371	I	91.2	Very high	85.6	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-63.1	-45.2	172.4	-62.4	158.2	0	0	0	110.9	T367 A368 N373 S374 F375 T403 L693 S737	T367-I371 HydrophobicContact CG2-CD1 3.92Å; T367-I371 WeakPolarHBondContact O-CD1 3.43Å; T367-I371 VanDerWaalsContact O-CG1 3.28Å; T367-I371 WeakPolarHBondContact O-CG1 3.36Å; T367-I371 PolarHBondContact O-N 3.21Å; A368-I371 PolarHBondContact O-N 3.11Å; I371-N373 PolarHBondContact O-N 2.81Å; I371-S374 WeakPolarHBondContact O-CA 3.49Å; I371-S374 WeakPolarHBondContact O-CB 3.46Å; I371-S374 PolarHBondContact O-N 2.84Å; I371-S374 PolarHBondContact O-OG 3.32Å; I371-F375 HydrophobicContact CG2-CD1 4.46Å; I371-F375 HydrophobicContact CG2-CD2 4.2Å; I371-F375 HydrophobicContact CG2-CE1 3.93Å; I371-F375 HydrophobicContact CG2-CE2 3.64Å; I371-F375 HydrophobicContact CG2-CZ 3.48Å; I371-F375 VanDerWaalsContact CG2-CZ 3.48Å; I371-F375 PolarHBondContact O-N 3.15Å; I371-T403 HydrophobicContact CD1-CG2 3.93Å; I371-T403 HydrophobicContact CG1-CG2 3.65Å; I371-L693 HydrophobicContact CB-CD2 3.84Å; I371-L693 HydrophobicContact CD1-CD2 4.5Å; I371-L693 HydrophobicContact CG2-CD2 3.5Å; I371-L693 VanDerWaalsContact CG2-CD2 3.5Å; I371-S737 WeakPolarHBondContact CD1-OG 3.48Å
372	A	91	Very high	86.1	Confident	4 Å²	4	14 Å²	14	3%	0.033	9%	0.087	C	C	.	.	H	α-helix	trans	-61.7	-43.2	178.9	0	0	0	0	0	112	A368 T369 S374 F375 M376 I692	A368-A372 WeakPolarHBondContact O-CB 3.45Å; A368-A372 PolarHBondContact O-N 3.16Å; T369-A372 PolarHBondContact O-N 3.02Å; A372-S374 VanDerWaalsContact C-N 3.3Å; A372-S374 PolarHBondContact O-N 2.99Å; A372-F375 PolarHBondContact O-N 3.37Å; A372-M376 WeakPolarHBondContact O-CG 3.33Å; A372-M376 PolarHBondContact O-N 3.03Å; A372-I692 HydrophobicContact CB-CG2 3.78Å
373	N	90.8	Very high	86.5	Confident	0 Å²	0	10.8 Å²	10.8	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-55.8	-44.1	169.4	178.9	81.8	0	0	0	111.8	L353 T369 V370 I371 F375 M376 H377 F385 I411	L353-N373 HydrophobicContact CD1-CB 4.41Å; L353-N373 WeakPolarHBondContact CD1-OD1 3.48Å; L353-N373 HydrophobicContact CD2-CB 3.96Å; T369-N373 WeakPolarHBondContact O-CB 3.33Å; T369-N373 PolarHBondContact O-N 3.49Å; V370-N373 PolarHBondContact O-N 3.34Å; I371-N373 PolarHBondContact O-N 2.81Å; N373-F375 VanDerWaalsContact C-N 3.29Å; N373-F375 PolarHBondContact O-N 3.39Å; N373-M376 PolarHBondContact O-N 2.89Å; N373-H377 PolarHBondContact O-CD2 3.35Å; N373-H377 PolarHBondContact O-N 3.19Å; N373-H377 PolarHBondContact OD1-CD2 3.43Å; N373-F385 HydrophobicContact CB-CD1 4.05Å; N373-F385 HydrophobicContact CB-CE1 4.25Å; N373-F385 VanDerWaalsContact CG-CD1 3.46Å; N373-F385 VanDerWaalsContact OD1-CB 3.27Å; N373-F385 WeakPolarHBondContact OD1-CB 3.39Å; N373-F385 WeakPolarHBondContact OD1-CD1 3.39Å; N373-F385 VanDerWaalsContact OD1-CG 3.28Å; N373-F385 WeakPolarHBondContact OD1-CG 3.26Å; N373-I411 WeakPolarHBondContact ND2-CD1 3.25Å
374	S	91.3	Very high	87.1	Confident	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-61.8	-34.8	178.9	88.3	0	0	0	0	113.1	V370 I371 A372 C378 V410	V370-S374 PolarHBondContact O-N 3.37Å; I371-S374 WeakPolarHBondContact O-CA 3.49Å; I371-S374 WeakPolarHBondContact O-CB 3.46Å; I371-S374 PolarHBondContact O-N 2.84Å; I371-S374 PolarHBondContact O-OG 3.32Å; A372-S374 VanDerWaalsContact C-N 3.3Å; A372-S374 PolarHBondContact O-N 2.99Å; S374-C378 WeakPolarHBondContact O-CA 3.47Å; S374-C378 PolarHBondContact O-N 2.89Å; S374-V410 VanDerWaalsContact O-CG1 3.26Å; S374-V410 WeakPolarHBondContact O-CG1 3.48Å
375	F	92.7	Very high	87.1	Confident	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-75.8	-46.9	176	-63.8	-17.6	0	0	0	112	I371 A372 N373 H377 C378 V410 L693 G696 I697 A700 G701 S737 L740 Y744	I371-F375 HydrophobicContact CG2-CD1 4.46Å; I371-F375 HydrophobicContact CG2-CD2 4.2Å; I371-F375 HydrophobicContact CG2-CE1 3.93Å; I371-F375 HydrophobicContact CG2-CE2 3.64Å; I371-F375 HydrophobicContact CG2-CZ 3.48Å; I371-F375 VanDerWaalsContact CG2-CZ 3.48Å; I371-F375 PolarHBondContact O-N 3.15Å; A372-F375 PolarHBondContact O-N 3.37Å; N373-F375 VanDerWaalsContact C-N 3.29Å; N373-F375 PolarHBondContact O-N 3.39Å; F375-H377 VanDerWaalsContact C-N 3.29Å; F375-H377 PolarHBondContact O-N 3.38Å; F375-C378 WeakPolarHBondContact O-CB 3.06Å; F375-C378 PolarHBondContact O-N 3.06Å; F375-V410 HydrophobicContact CD1-CG1 4.49Å; F375-L693 HydrophobicContact CE2-CD2 4.25Å; F375-G696 VanDerWaalsContact CB-O 3.23Å; F375-G696 WeakPolarHBondContact CB-O 3.24Å; F375-I697 HydrophobicContact CD2-CG1 3.73Å; F375-I697 HydrophobicContact CE2-CD1 4.35Å; F375-I697 HydrophobicContact CE2-CG1 3.85Å; F375-A700 VanDerWaalsContact O-CA 3.29Å; F375-A700 WeakPolarHBondContact O-CA 3.37Å; F375-G701 PolarHBondContact O-N 3.26Å; F375-S737 WeakPolarHBondContact CZ-O 3.02Å; F375-L740 HydrophobicContact CE1-CB 4.27Å; F375-L740 HydrophobicContact CE2-CD2 3.9Å; F375-L740 HydrophobicContact CZ-CB 4.04Å; F375-L740 HydrophobicContact CZ-CD2 3.94Å; F375-Y744 HydrophobicContact CB-CE2 4.1Å; F375-Y744 WeakPolarHBondContact CB-OH 3.49Å; F375-Y744 AromaticContact CD1-CE2 3.79Å; F375-Y744 HydrophobicContact CD1-CE2 3.79Å; F375-Y744 WeakPolarHBondContact CD2-OH 3.21Å; F375-Y744 HydrophobicContact CE1-CE2 4.42Å; F375-Y744 HydrophobicContact CG-CE2 4.02Å; F375-Y744 WeakPolarHBondContact CG-OH 3.44Å
376	M	90.6	Very high	87.1	Confident	3 Å²	3	10.6 Å²	10.6	2%	0.015	6%	0.057	C	C	.	.	H	α-helix	trans	-56.2	-44	177.9	-71.7	176.4	68.9	0	0	111.9	T348 I352 L353 A372 N373 D699 G701 G702	T348-M376 HydrophobicContact CG2-CB 4.24Å; T348-M376 WeakPolarHBondContact CG2-O 3.47Å; I352-M376 HydrophobicContact CB-CE 4.48Å; L353-M376 HydrophobicContact CD1-CE 4.17Å; L353-M376 HydrophobicContact CD1-SD 4.15Å; L353-M376 HydrophobicContact CD2-SD 3.64Å; L353-M376 HydrophobicContact CG-CE 3.97Å; L353-M376 HydrophobicContact CG-SD 3.76Å; A372-M376 WeakPolarHBondContact O-CG 3.33Å; A372-M376 PolarHBondContact O-N 3.03Å; N373-M376 PolarHBondContact O-N 2.89Å; M376-D699 WeakPolarHBondContact CA-O 3.1Å; M376-D699 HydrophobicContact CE-CB 4.04Å; M376-D699 HydrophobicContact CG-CB 3.9Å; M376-D699 HydrophobicContact SD-CB 4.28Å; M376-G701 CarbonylContact O-C 3.59Å; M376-G701 WeakPolarHBondContact O-CA 3.37Å; M376-G701 PolarHBondContact O-N 3.18Å; M376-G702 PolarHBondContact O-N 3.32Å; M376-G702 VanDerWaalsContact O-N 3.13Å
377	H	90.6	Very high	87	Confident	2 Å²	2	16.1 Å²	16.1	1%	0.009	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	13.6	-178.6	-65.7	-76.9	0	0	0	114.2	T348 L353 N373 F375 G379 T380 I411	T348-H377 PolarHBondContact OG1-CE1 3.33Å; L353-H377 WeakPolarHBondContact CD1-NE2 3.46Å; N373-H377 PolarHBondContact O-CD2 3.35Å; N373-H377 PolarHBondContact O-N 3.19Å; N373-H377 PolarHBondContact OD1-CD2 3.43Å; F375-H377 VanDerWaalsContact C-N 3.29Å; F375-H377 PolarHBondContact O-N 3.38Å; H377-G379 PolarHBondContact O-N 3.08Å; H377-T380 WeakPolarHBondContact CA-OG1 3.48Å; H377-T380 WeakPolarHBondContact CB-OG1 3.44Å; H377-T380 WeakPolarHBondContact O-CB 3.45Å; H377-T380 PolarHBondContact O-N 3.37Å; H377-T380 PolarHBondContact O-OG1 3.06Å; H377-I411 HydrophobicContact CB-CG1 4.2Å; H377-I411 HydrophobicContact CB-CG2 4.28Å
378	C	90.9	Very high	86.8	Confident	7 Å²	7	19.7 Å²	19.7	5%	0.047	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54	119.6	-177.8	-179	0	0	0	0	112.1	S374 F375 T380 V410 Y744	S374-C378 WeakPolarHBondContact O-CA 3.47Å; S374-C378 PolarHBondContact O-N 2.89Å; F375-C378 WeakPolarHBondContact O-CB 3.06Å; F375-C378 PolarHBondContact O-N 3.06Å; C378-T380 PolarHBondContact O-N 3.24Å; C378-V410 WeakPolarHBondContact CA-O 3.44Å; C378-V410 HydrophobicContact CB-CG1 3.94Å; C378-Y744 HydrophobicContact CB-CD2 4.3Å
379	G	85.9	Confident	86.5	Confident	3 Å²	3	20.5 Å²	20.5	3%	0.031	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.4	12.2	-178.8	0	0	0	0	0	115.8	L339 L342 H377 V410 I411	L339-G379 WeakPolarHBondContact CD1-O 3.4Å; L342-G379 WeakPolarHBondContact CB-O 3.45Å; H377-G379 PolarHBondContact O-N 3.08Å; G379-V410 PolarHBondContact N-O 2.87Å; G379-V410 VanDerWaalsContact N-O 3.13Å; G379-I411 WeakPolarHBondContact CA-O 3.48Å; G379-I411 PolarHBondContact N-O 2.7Å
380	T	85.1	Confident	86	Confident	5 Å²	5	25.7 Å²	25.7	3%	0.031	13%	0.127	C	C	.	.	S	Bend	trans	-95.2	-11.9	178.6	68.5	0	0	0	0	113.6	N346 H377 C378 S382 I411	N346-T380 HydrophobicContact CB-CG2 4.49Å; H377-T380 WeakPolarHBondContact CA-OG1 3.48Å; H377-T380 WeakPolarHBondContact CB-OG1 3.44Å; H377-T380 WeakPolarHBondContact O-CB 3.45Å; H377-T380 PolarHBondContact O-N 3.37Å; H377-T380 PolarHBondContact O-OG1 3.06Å; C378-T380 PolarHBondContact O-N 3.24Å; T380-S382 PolarHBondContact O-N 2.93Å; T380-S382 PolarHBondContact OG1-N 3.45Å; T380-I411 PolarHBondContact N-O 2.92Å
381	T	84.4	Confident	85.3	Confident	5 Å²	5	33.2 Å²	33.2	3%	0.031	16%	0.163	C	C	.	.			trans	59.3	0.9	-170.2	72.2	0	0	0	0	117.1	L339 I343 D383 I411 H412 H415 A891	L339-T381 HydrophobicContact CD1-CG2 4.29Å; I343-T381 HydrophobicContact CD1-CG2 4.47Å; T381-D383 PolarHBondContact O-N 3.12Å; T381-I411 PolarHBondContact N-O 3.4Å; T381-I411 VanDerWaalsContact N-O 3.11Å; T381-H412 PolarHBondContact O-CE1 3.21Å; T381-H415 WeakPolarHBondContact CG2-CD2 3.42Å; T381-H415 WeakPolarHBondContact CG2-NE2 3.28Å; T381-A891 HydrophobicContact CG2-CB 4.25Å
382	S	80.8	Confident	84.5	Confident	29 Å²	29	34.7 Å²	34.7	20%	0.203	17%	0.168	C	C	.	.			trans	-75.9	98.4	179.5	-168.6	0	0	0	0	110.8	T380	T380-S382 PolarHBondContact O-N 2.93Å; T380-S382 PolarHBondContact OG1-N 3.45Å
383	D	81.4	Confident	83.5	Confident	15 Å²	15	36.5 Å²	36.5	8%	0.08	18%	0.177	C	C	.	.			trans	-99.1	11.3	174.9	71.9	-14.7	0	0	0	112.7	T381 F385 L386 R387 H892	T381-D383 PolarHBondContact O-N 3.12Å; D383-F385 VanDerWaalsContact C-N 3.27Å; D383-F385 PolarHBondContact O-N 3.03Å; D383-L386 HydrophobicContact CB-CD1 4.28Å; D383-L386 WeakPolarHBondContact O-CA 3.38Å; D383-L386 WeakPolarHBondContact O-CB 3.48Å; D383-L386 PolarHBondContact O-N 3.15Å; D383-R387 PolarHBondContact O-N 3.38Å; D383-R387 VanDerWaalsContact O-N 3.11Å; D383-R387 IonicContact OD1-CZ 2.73Å; D383-R387 IonicContact OD1-NE 2.74Å; D383-R387 PolarHBondContact OD1-NE 3.31Å; D383-R387 IonicContact OD1-NH2 2.97Å; D383-R387 PolarHBondContact OD1-NH2 3.01Å; D383-R387 IonicContact OD2-CZ 3.77Å; D383-R387 VanDerWaalsContact OD2-CZ 3.27Å; D383-R387 IonicContact OD2-NE 2.86Å; D383-R387 PolarHBondContact OD2-NE 3.26Å; D383-R387 IonicContact OD2-NH2 2.95Å; D383-R387 PolarHBondContact OD2-NH2 3.45Å; D383-H892 IonicContact OD1-CE1 3.2Å; D383-H892 PolarHBondContact OD1-CE1 3.24Å; D383-H892 IonicContact OD1-NE2 2.67Å
384	Q	83.3	Confident	82.8	Confident	103 Å²	103	39.8 Å²	39.8	48%	0.481	20%	0.204	S	C	.	.	H	α-helix	trans	-51.1	-43.9	-178.8	-173.3	-179.8	31.1	0	0	112.3	L386 R387 D388	Q384-L386 PolarHBondContact O-N 3.31Å; Q384-R387 PolarHBondContact O-N 3.12Å; Q384-R387 VanDerWaalsContact O-N 3.16Å; Q384-D388 WeakPolarHBondContact O-CB 3.5Å; Q384-D388 PolarHBondContact O-N 3.38Å
385	F	81.8	Confident	82.2	Confident	2 Å²	2	48.5 Å²	48.5	1%	0.009	24%	0.237	C	C	.	.	H	α-helix	trans	-59.7	-31.8	176.5	178.8	-92.5	0	0	0	113.1	L353 K357 T369 N373 D383 N389 W392	L353-F385 HydrophobicContact CB-CD2 3.99Å; L353-F385 HydrophobicContact CB-CE2 3.79Å; L353-F385 HydrophobicContact CB-CZ 4.48Å; L353-F385 HydrophobicContact CD1-CD2 4.33Å; L353-F385 HydrophobicContact CD1-CG 4.47Å; K357-F385 HydrophobicContact CB-CZ 4.42Å; T369-F385 HydrophobicContact CG2-CZ 4.37Å; N373-F385 HydrophobicContact CB-CD1 4.05Å; N373-F385 HydrophobicContact CB-CE1 4.25Å; N373-F385 VanDerWaalsContact CG-CD1 3.46Å; N373-F385 VanDerWaalsContact OD1-CB 3.27Å; N373-F385 WeakPolarHBondContact OD1-CB 3.39Å; N373-F385 WeakPolarHBondContact OD1-CD1 3.39Å; N373-F385 VanDerWaalsContact OD1-CG 3.28Å; N373-F385 WeakPolarHBondContact OD1-CG 3.26Å; D383-F385 VanDerWaalsContact C-N 3.27Å; D383-F385 PolarHBondContact O-N 3.03Å; F385-N389 WeakPolarHBondContact O-CB 3.28Å; F385-N389 PolarHBondContact O-ND2 3.15Å; F385-W392 HydrophobicContact CE1-CZ3 4.16Å; F385-W392 HydrophobicContact CZ-CZ3 4.44Å
386	L	80.6	Confident	81.5	Confident	14 Å²	14	48.6 Å²	48.6	7%	0.073	24%	0.238	C	C	.	.	H	α-helix	trans	-76.5	-40.4	176.9	-62.2	167.3	0	0	0	110.9	V370 D383 Q384 N389 L390 L393 L408 I411	V370-L386 HydrophobicContact CG1-CD2 4.29Å; D383-L386 HydrophobicContact CB-CD1 4.28Å; D383-L386 WeakPolarHBondContact O-CA 3.38Å; D383-L386 WeakPolarHBondContact O-CB 3.48Å; D383-L386 PolarHBondContact O-N 3.15Å; Q384-L386 PolarHBondContact O-N 3.31Å; L386-N389 CarbonylContact O-C 3.54Å; L386-N389 PolarHBondContact O-N 3.05Å; L386-L390 PolarHBondContact O-N 3.01Å; L386-L393 HydrophobicContact CD2-CD1 3.54Å; L386-L408 HydrophobicContact CD1-CD1 3.73Å; L386-L408 HydrophobicContact CD1-CG 4.12Å; L386-I411 HydrophobicContact CD1-CD1 3.66Å
387	R	81.3	Confident	81.1	Confident	134 Å²	134	52.6 Å²	52.6	51%	0.506	26%	0.263	S	S	.	.	H	α-helix	trans	-63.6	-50.5	176.6	-62.2	-177.6	-172.6	-116.3	-10.3	111.9	D383 Q384 N389 L390	D383-R387 PolarHBondContact O-N 3.38Å; D383-R387 VanDerWaalsContact O-N 3.11Å; D383-R387 IonicContact OD1-CZ 2.73Å; D383-R387 IonicContact OD1-NE 2.74Å; D383-R387 PolarHBondContact OD1-NE 3.31Å; D383-R387 IonicContact OD1-NH2 2.97Å; D383-R387 PolarHBondContact OD1-NH2 3.01Å; D383-R387 IonicContact OD2-CZ 3.77Å; D383-R387 VanDerWaalsContact OD2-CZ 3.27Å; D383-R387 IonicContact OD2-NE 2.86Å; D383-R387 PolarHBondContact OD2-NE 3.26Å; D383-R387 IonicContact OD2-NH2 2.95Å; D383-R387 PolarHBondContact OD2-NH2 3.45Å; Q384-R387 PolarHBondContact O-N 3.12Å; Q384-R387 VanDerWaalsContact O-N 3.16Å; R387-N389 PolarHBondContact O-N 2.85Å; R387-L390 PolarHBondContact O-N 2.94Å
388	D	82.9	Confident	81	Confident	87 Å²	87	56.9 Å²	56.9	47%	0.465	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-24.3	176.2	-79.7	10.7	0	0	0	113.2	Q384	Q384-D388 WeakPolarHBondContact O-CB 3.5Å; Q384-D388 PolarHBondContact O-N 3.38Å
389	N	81.3	Confident	80.9	Confident	16 Å²	16	59.8 Å²	59.8	9%	0.086	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.3	24.8	-167.8	-62.7	-76	0	0	0	113.7	K357 F385 L386 R387 E391 W392 L393	K357-N389 WeakPolarHBondContact CE-OD1 3.12Å; K357-N389 PolarHBondContact NZ-OD1 2.97Å; F385-N389 WeakPolarHBondContact O-CB 3.28Å; F385-N389 PolarHBondContact O-ND2 3.15Å; L386-N389 CarbonylContact O-C 3.54Å; L386-N389 PolarHBondContact O-N 3.05Å; R387-N389 PolarHBondContact O-N 2.85Å; N389-E391 VanDerWaalsContact C-N 3.3Å; N389-E391 PolarHBondContact O-N 2.82Å; N389-W392 HydrophobicContact CB-CB 4.36Å; N389-W392 HydrophobicContact CB-CE3 4.26Å; N389-W392 WeakPolarHBondContact O-CA 3.42Å; N389-W392 WeakPolarHBondContact O-CB 3.35Å; N389-W392 PolarHBondContact O-N 3.15Å; N389-L393 PolarHBondContact O-N 3.02Å
390	L	77.9	Confident	80.9	Confident	109 Å²	109	60 Å²	60	57%	0.571	30%	0.297	S	S	*	.	H	α-helix	trans	-49.6	-43.7	178.4	-85.8	163.3	0	0	0	113.7	L386 R387 W392 L393 A394	L386-L390 PolarHBondContact O-N 3.01Å; R387-L390 PolarHBondContact O-N 2.94Å; L390-W392 VanDerWaalsContact C-N 3.27Å; L390-W392 PolarHBondContact O-N 3.24Å; L390-L393 PolarHBondContact O-N 3.21Å; L390-A394 WeakPolarHBondContact O-CB 3.25Å; L390-A394 PolarHBondContact O-N 3.07Å
391	E	75.8	Confident	81	Confident	160 Å²	160	63.2 Å²	63.2	75%	0.748	31%	0.311	S	S	*	.	H	α-helix	trans	-63.6	-29.1	176.6	-66.3	-168.9	173.4	0	0	114.2	N389 R395	N389-E391 VanDerWaalsContact C-N 3.3Å; N389-E391 PolarHBondContact O-N 2.82Å; E391-R395 WeakPolarHBondContact O-CG 3.48Å; E391-R395 PolarHBondContact O-NE 2.99Å
392	W	74.2	Confident	81.3	Confident	31 Å²	31	63 Å²	63	12%	0.117	31%	0.309	C	S	.	.	H	α-helix	trans	-83.6	-34.1	178.5	173.6	91	0	0	0	110.5	K357 H366 T369 V370 F385 N389 L390 R395	K357-W392 HydrophobicContact CG-CD2 4.38Å; K357-W392 HydrophobicContact CG-CZ2 4.1Å; H366-W392 HydrophobicContact CB-CZ2 4.35Å; H366-W392 AromaticContact CD2-CD2 3.75Å; H366-W392 AromaticContact CD2-CE2 3.38Å; H366-W392 AromaticContact CD2-CH2 3.8Å; H366-W392 AromaticContact CD2-CZ2 3.42Å; H366-W392 VanDerWaalsContact CD2-CZ2 3.42Å; H366-W392 WeakPolarHBondContact CD2-CZ2 3.07Å; H366-W392 AromaticContact CD2-NE1 3.86Å; H366-W392 AromaticContact CG-CZ2 3.92Å; H366-W392 AromaticContact NE2-CD2 3.32Å; H366-W392 VanDerWaalsContact NE2-CD2 3.32Å; H366-W392 AromaticContact NE2-CE2 3.8Å; H366-W392 AromaticContact NE2-CE3 3.31Å; H366-W392 VanDerWaalsContact NE2-CE3 3.31Å; H366-W392 AromaticContact NE2-CG 3.8Å; H366-W392 AromaticContact NE2-CZ3 3.78Å; H366-W392 PolarHBondContact NE2-O 3.09Å; T369-W392 HydrophobicContact CG2-CH2 3.91Å; T369-W392 HydrophobicContact CG2-CZ2 4.3Å; V370-W392 HydrophobicContact CG2-CH2 3.76Å; V370-W392 HydrophobicContact CG2-CZ3 3.66Å; F385-W392 HydrophobicContact CE1-CZ3 4.16Å; F385-W392 HydrophobicContact CZ-CZ3 4.44Å; N389-W392 HydrophobicContact CB-CB 4.36Å; N389-W392 HydrophobicContact CB-CE3 4.26Å; N389-W392 WeakPolarHBondContact O-CA 3.42Å; N389-W392 WeakPolarHBondContact O-CB 3.35Å; N389-W392 PolarHBondContact O-N 3.15Å; L390-W392 VanDerWaalsContact C-N 3.27Å; L390-W392 PolarHBondContact O-N 3.24Å; W392-R395 WeakPolarHBondContact O-CB 3.49Å; W392-R395 PolarHBondContact O-N 2.97Å
393	L	70.4	Confident	81.7	Confident	42 Å²	42	61.7 Å²	61.7	22%	0.22	30%	0.3	C	S	.	.	H	α-helix	trans	-70.2	-35.3	172.6	-165	139.3	0	0	0	112.1	H366 L386 N389 L390 R395 A396 A404	H366-L393 WeakPolarHBondContact NE2-CA 3.33Å; H366-L393 PolarHBondContact NE2-N 3.27Å; H366-L393 VanDerWaalsContact NE2-N 3.18Å; L386-L393 HydrophobicContact CD2-CD1 3.54Å; N389-L393 PolarHBondContact O-N 3.02Å; L390-L393 PolarHBondContact O-N 3.21Å; L393-R395 PolarHBondContact O-N 3.1Å; L393-R395 VanDerWaalsContact O-N 3.11Å; L393-A396 WeakPolarHBondContact O-CB 3.49Å; L393-A396 PolarHBondContact O-N 3.42Å; L393-A404 HydrophobicContact CD1-CB 4.17Å; L393-A404 HydrophobicContact CD2-CB 4.3Å; L393-A404 HydrophobicContact CG-CB 4.2Å
394	A	75.3	Confident	82	Confident	69 Å²	69	61.1 Å²	61.1	57%	0.57	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-20	174.9	0	0	0	0	0	114.2	L390 A396	L390-A394 WeakPolarHBondContact O-CB 3.25Å; L390-A394 PolarHBondContact O-N 3.07Å; A394-A396 VanDerWaalsContact C-N 3.28Å
395	R	78.8	Confident	82.3	Confident	182 Å²	182	56.6 Å²	56.6	69%	0.687	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-11.5	175.2	-59.2	174.6	-169.4	-162.2	-0.3	113.6	E391 W392 L393	E391-R395 WeakPolarHBondContact O-CG 3.48Å; E391-R395 PolarHBondContact O-NE 2.99Å; W392-R395 WeakPolarHBondContact O-CB 3.49Å; W392-R395 PolarHBondContact O-N 2.97Å; L393-R395 PolarHBondContact O-N 3.1Å; L393-R395 VanDerWaalsContact O-N 3.11Å
396	A	78.3	Confident	82.8	Confident	3 Å²	3	56.5 Å²	56.5	3%	0.025	28%	0.277	C	S	.	.			trans	-64.7	142.2	175.1	0	0	0	0	0	111	H366 L393 A394 A400 K401	H366-A396 VanDerWaalsContact CE1-CB 3.4Å; H366-A396 WeakPolarHBondContact CE1-CB 3.22Å; L393-A396 WeakPolarHBondContact O-CB 3.49Å; L393-A396 PolarHBondContact O-N 3.42Å; A394-A396 VanDerWaalsContact C-N 3.28Å; A396-A400 HydrophobicContact CB-CB 3.83Å; A396-K401 HydrophobicContact CB-CG 3.98Å; A396-K401 WeakPolarHBondContact O-CE 3.48Å; A396-K401 VanDerWaalsContact O-CG 3.3Å; A396-K401 WeakPolarHBondContact O-CG 3.39Å
397	T	82.9	Confident	83.3	Confident	87 Å²	87	55.9 Å²	55.9	53%	0.534	27%	0.274	S	S	.	.			trans	-127.1	145.4	178.9	55.5	0	0	0	0	111.3	W399 A400	T397-W399 PolarHBondContact O-N 3.13Å; T397-A400 WeakPolarHBondContact O-CB 3.49Å; T397-A400 PolarHBondContact O-N 3.07Å
398	N	87.6	Confident	83.6	Confident	92 Å²	92	50 Å²	50	49%	0.492	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.1	-118.6	176.8	-54.9	-11.4	0	0	0	112.2	A400 K401 F402 Y437	N398-A400 PolarHBondContact O-N 2.84Å; N398-A400 VanDerWaalsContact O-N 3.17Å; N398-K401 WeakPolarHBondContact O-CA 3.5Å; N398-K401 WeakPolarHBondContact O-CB 3.46Å; N398-K401 PolarHBondContact O-N 3.26Å; N398-F402 PolarHBondContact O-N 3.16Å; N398-Y437 HydrophobicContact CB-CD2 4.44Å; N398-Y437 HydrophobicContact CB-CE1 4.1Å; N398-Y437 HydrophobicContact CB-CE2 3.99Å
399	W	88	Confident	83.9	Confident	67 Å²	67	45.9 Å²	45.9	25%	0.254	23%	0.23	S	C	.	.	H	α-helix	trans	-61.1	-21.9	-179.4	-60.5	111.8	0	0	0	115.3	T397 K401 F402 T403 Y437 I472 V507 W733	T397-W399 PolarHBondContact O-N 3.13Å; W399-K401 VanDerWaalsContact C-N 3.33Å; W399-F402 HydrophobicContact CE3-CB 3.88Å; W399-F402 HydrophobicContact CE3-CD1 4.37Å; W399-F402 HydrophobicContact CE3-CD2 4.16Å; W399-F402 AromaticContact CE3-CG 3.9Å; W399-F402 HydrophobicContact CE3-CG 3.9Å; W399-F402 HydrophobicContact CZ3-CB 4.37Å; W399-F402 AromaticContact CZ3-CD2 3.79Å; W399-F402 HydrophobicContact CZ3-CD2 3.79Å; W399-F402 HydrophobicContact CZ3-CE2 4.18Å; W399-F402 HydrophobicContact CZ3-CG 4Å; W399-F402 PolarHBondContact O-N 3.48Å; W399-T403 WeakPolarHBondContact O-CB 3.49Å; W399-T403 PolarHBondContact O-N 3.11Å; W399-T403 PolarHBondContact O-OG1 3.28Å; W399-Y437 HydrophobicContact CD2-CD1 4.04Å; W399-Y437 AromaticContact CD2-CE1 3.77Å; W399-Y437 HydrophobicContact CD2-CE1 3.77Å; W399-Y437 AromaticContact CE2-CE1 3.52Å; W399-Y437 AromaticContact CE3-CD1 3.94Å; W399-Y437 HydrophobicContact CE3-CD1 3.94Å; W399-Y437 HydrophobicContact CE3-CE1 4.06Å; W399-Y437 HydrophobicContact CG-CE1 4.35Å; W399-Y437 HydrophobicContact CH2-CD1 4.22Å; W399-Y437 AromaticContact CH2-CE1 3.9Å; W399-Y437 HydrophobicContact CH2-CE1 3.9Å; W399-Y437 HydrophobicContact CZ2-CD1 4.32Å; W399-Y437 AromaticContact CZ2-CE1 3.59Å; W399-Y437 HydrophobicContact CZ2-CE1 3.59Å; W399-Y437 HydrophobicContact CZ3-CD1 4.02Å; W399-Y437 HydrophobicContact CZ3-CE1 4.12Å; W399-I472 HydrophobicContact CH2-CG1 4.45Å; W399-I472 HydrophobicContact CH2-CG2 4.11Å; W399-I472 HydrophobicContact CZ3-CG2 4.3Å; W399-V507 HydrophobicContact CH2-CG1 4.01Å; W399-V507 HydrophobicContact CZ2-CG1 4.29Å; W399-W733 AromaticContact CD2-CH2 3.53Å; W399-W733 HydrophobicContact CD2-CH2 3.53Å; W399-W733 AromaticContact CD2-CZ2 3.85Å; W399-W733 HydrophobicContact CD2-CZ2 3.85Å; W399-W733 HydrophobicContact CD2-CZ3 4.35Å; W399-W733 AromaticContact CE2-CH2 3.31Å; W399-W733 AromaticContact CE2-CZ2 3.96Å; W399-W733 AromaticContact CE3-CH2 3.78Å; W399-W733 HydrophobicContact CE3-CH2 3.78Å; W399-W733 AromaticContact CE3-CZ2 3.57Å; W399-W733 HydrophobicContact CE3-CZ2 3.57Å; W399-W733 HydrophobicContact CG-CH2 4.22Å; W399-W733 AromaticContact CH2-CH2 3.72Å; W399-W733 HydrophobicContact CH2-CH2 3.72Å; W399-W733 AromaticContact CH2-CZ2 3.61Å; W399-W733 HydrophobicContact CH2-CZ2 3.61Å; W399-W733 AromaticContact CZ2-CH2 3.44Å; W399-W733 HydrophobicContact CZ2-CH2 3.44Å; W399-W733 VanDerWaalsContact CZ2-CH2 3.44Å; W399-W733 AromaticContact CZ2-CZ2 3.87Å; W399-W733 HydrophobicContact CZ2-CZ2 3.87Å; W399-W733 AromaticContact CZ3-CH2 3.87Å; W399-W733 HydrophobicContact CZ3-CH2 3.87Å; W399-W733 AromaticContact CZ3-CZ2 3.45Å; W399-W733 HydrophobicContact CZ3-CZ2 3.45Å; W399-W733 VanDerWaalsContact CZ3-CZ2 3.45Å; W399-W733 AromaticContact NE1-CH2 3.84Å
400	A	86.4	Confident	84.4	Confident	8 Å²	8	45.1 Å²	45.1	7%	0.066	23%	0.226	C	C	.	.	H	α-helix	trans	-69.9	-30.9	171	0	0	0	0	0	111.7	A396 T397 N398 A404	A396-A400 HydrophobicContact CB-CB 3.83Å; T397-A400 WeakPolarHBondContact O-CB 3.49Å; T397-A400 PolarHBondContact O-N 3.07Å; N398-A400 PolarHBondContact O-N 2.84Å; N398-A400 VanDerWaalsContact O-N 3.17Å; A400-A404 VanDerWaalsContact O-CB 3.26Å; A400-A404 WeakPolarHBondContact O-CB 3.24Å; A400-A404 PolarHBondContact O-N 2.69Å
401	K	87.8	Confident	85.1	Confident	72 Å²	72	40 Å²	40	31%	0.313	20%	0.199	S	C	.	.	H	α-helix	trans	-69.7	-44	169.8	-64.1	-163.4	175.2	-167.4	0	111.4	A396 N398 W399 T403 A404 T405	A396-K401 HydrophobicContact CB-CG 3.98Å; A396-K401 WeakPolarHBondContact O-CE 3.48Å; A396-K401 VanDerWaalsContact O-CG 3.3Å; A396-K401 WeakPolarHBondContact O-CG 3.39Å; N398-K401 WeakPolarHBondContact O-CA 3.5Å; N398-K401 WeakPolarHBondContact O-CB 3.46Å; N398-K401 PolarHBondContact O-N 3.26Å; W399-K401 VanDerWaalsContact C-N 3.33Å; K401-T403 VanDerWaalsContact C-N 3.34Å; K401-T403 PolarHBondContact O-N 2.79Å; K401-A404 PolarHBondContact O-N 3.08Å; K401-A404 VanDerWaalsContact O-N 3.16Å; K401-T405 PolarHBondContact O-N 2.95Å; K401-T405 PolarHBondContact O-OG1 3.1Å
402	F	90.6	Very high	85.7	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-55.8	-48.9	175.5	-174.1	-79.1	0	0	0	111.3	N398 W399 A404 T405 A406 Y437 G440 Y444 I472 H475 P735	N398-F402 PolarHBondContact O-N 3.16Å; W399-F402 HydrophobicContact CE3-CB 3.88Å; W399-F402 HydrophobicContact CE3-CD1 4.37Å; W399-F402 HydrophobicContact CE3-CD2 4.16Å; W399-F402 AromaticContact CE3-CG 3.9Å; W399-F402 HydrophobicContact CE3-CG 3.9Å; W399-F402 HydrophobicContact CZ3-CB 4.37Å; W399-F402 AromaticContact CZ3-CD2 3.79Å; W399-F402 HydrophobicContact CZ3-CD2 3.79Å; W399-F402 HydrophobicContact CZ3-CE2 4.18Å; W399-F402 HydrophobicContact CZ3-CG 4Å; W399-F402 PolarHBondContact O-N 3.48Å; F402-A404 PolarHBondContact O-N 3.43Å; F402-T405 PolarHBondContact O-N 3.45Å; F402-A406 VanDerWaalsContact O-CB 3.26Å; F402-A406 WeakPolarHBondContact O-CB 2.93Å; F402-A406 PolarHBondContact O-N 3.43Å; F402-Y437 VanDerWaalsContact CA-O 3.29Å; F402-Y437 WeakPolarHBondContact CA-O 3.19Å; F402-Y437 HydrophobicContact CB-CD1 4.49Å; F402-Y437 WeakPolarHBondContact CB-O 3.28Å; F402-Y437 VanDerWaalsContact CD2-O 3.31Å; F402-Y437 WeakPolarHBondContact CD2-O 3.4Å; F402-G440 VanDerWaalsContact CE2-C 3.44Å; F402-Y444 AromaticContact CE1-CD1 3.69Å; F402-Y444 HydrophobicContact CE1-CD1 3.69Å; F402-Y444 HydrophobicContact CE1-CE1 4.37Å; F402-Y444 HydrophobicContact CE1-CG 4.35Å; F402-Y444 HydrophobicContact CZ-CD1 4.1Å; F402-Y444 HydrophobicContact CZ-CG 4.3Å; F402-I472 HydrophobicContact CD2-CG2 4.44Å; F402-H475 AromaticContact CZ-CD2 3.84Å; F402-P735 HydrophobicContact CD1-CB 4.02Å; F402-P735 HydrophobicContact CD1-CG 3.85Å; F402-P735 HydrophobicContact CE1-CB 3.85Å; F402-P735 HydrophobicContact CE1-CG 4.09Å
403	T	90.3	Very high	86.4	Confident	2 Å²	2	33.6 Å²	33.6	1%	0.012	17%	0.17	C	C	.	.	H	α-helix	trans	-62.7	-40.6	176.2	-54.1	0	0	0	0	111.9	T367 I371 W399 K401 A406 S407 H738	T367-T403 HydrophobicContact CG2-CG2 3.69Å; I371-T403 HydrophobicContact CD1-CG2 3.93Å; I371-T403 HydrophobicContact CG1-CG2 3.65Å; W399-T403 WeakPolarHBondContact O-CB 3.49Å; W399-T403 PolarHBondContact O-N 3.11Å; W399-T403 PolarHBondContact O-OG1 3.28Å; K401-T403 VanDerWaalsContact C-N 3.34Å; K401-T403 PolarHBondContact O-N 2.79Å; T403-A406 PolarHBondContact O-N 3.46Å; T403-S407 WeakPolarHBondContact O-CB 3.26Å; T403-S407 PolarHBondContact O-N 2.99Å; T403-S407 PolarHBondContact O-OG 3.36Å; T403-H738 WeakPolarHBondContact CG2-NE2 3.27Å; T403-H738 PolarHBondContact O-NE2 3.32Å
404	A	87.7	Confident	86.9	Confident	3 Å²	3	32.1 Å²	32.1	3%	0.025	17%	0.165	C	C	.	.	H	α-helix	trans	-64	-41	177.4	0	0	0	0	0	112.6	V370 L393 A400 K401 F402 S407 L408	V370-A404 HydrophobicContact CG1-CB 4.33Å; L393-A404 HydrophobicContact CD1-CB 4.17Å; L393-A404 HydrophobicContact CD2-CB 4.3Å; L393-A404 HydrophobicContact CG-CB 4.2Å; A400-A404 VanDerWaalsContact O-CB 3.26Å; A400-A404 WeakPolarHBondContact O-CB 3.24Å; A400-A404 PolarHBondContact O-N 2.69Å; K401-A404 PolarHBondContact O-N 3.08Å; K401-A404 VanDerWaalsContact O-N 3.16Å; F402-A404 PolarHBondContact O-N 3.43Å; A404-S407 WeakPolarHBondContact O-CB 3.24Å; A404-L408 WeakPolarHBondContact O-CD1 3.27Å
405	T	89	Confident	87.2	Confident	9 Å²	9	29.7 Å²	29.7	6%	0.055	14%	0.142	C	C	.	.	H	α-helix	trans	-72.1	-40.7	174.7	-51.3	0	0	0	0	112	K401 F402 S407 L408 M423 Y426	K401-T405 PolarHBondContact O-N 2.95Å; K401-T405 PolarHBondContact O-OG1 3.1Å; F402-T405 PolarHBondContact O-N 3.45Å; T405-S407 PolarHBondContact O-N 3.25Å; T405-L408 PolarHBondContact O-N 3.18Å; T405-L408 VanDerWaalsContact O-N 3.16Å; T405-M423 HydrophobicContact CG2-CE 4.17Å; T405-Y426 HydrophobicContact CG2-CD1 4.2Å; T405-Y426 HydrophobicContact CG2-CG 4.08Å
406	A	91.1	Very high	87	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-56.3	-35.8	174.3	0	0	0	0	0	112.6	F402 T403 L408 G409 Y444	F402-A406 VanDerWaalsContact O-CB 3.26Å; F402-A406 WeakPolarHBondContact O-CB 2.93Å; F402-A406 PolarHBondContact O-N 3.43Å; T403-A406 PolarHBondContact O-N 3.46Å; A406-L408 VanDerWaalsContact C-N 3.28Å; A406-L408 PolarHBondContact O-N 2.86Å; A406-G409 PolarHBondContact O-N 3.48Å; A406-Y444 HydrophobicContact CB-CD1 3.6Å; A406-Y444 HydrophobicContact CB-CE1 3.97Å
407	S	91.1	Very high	86.9	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-61.2	-30.5	179.1	-63.6	0	0	0	0	113.8	T403 A404 T405 G409 V410 I411 H738	T403-S407 WeakPolarHBondContact O-CB 3.26Å; T403-S407 PolarHBondContact O-N 2.99Å; T403-S407 PolarHBondContact O-OG 3.36Å; A404-S407 WeakPolarHBondContact O-CB 3.24Å; T405-S407 PolarHBondContact O-N 3.25Å; S407-G409 VanDerWaalsContact C-N 3.26Å; S407-G409 PolarHBondContact O-N 3.44Å; S407-V410 PolarHBondContact O-N 3.41Å; S407-I411 WeakPolarHBondContact O-CG1 3.48Å; S407-I411 PolarHBondContact O-N 3.36Å; S407-H738 PolarHBondContact OG-CE1 2.95Å
408	L	88.9	Confident	86.6	Confident	12 Å²	12	30.8 Å²	30.8	6%	0.063	15%	0.146	C	C	.	.	H	α-helix	trans	-63.1	-36	174.1	-80.2	71	0	0	0	110.9	L386 A404 T405 A406 V410 I411 H412 M423 Y426	L386-L408 HydrophobicContact CD1-CD1 3.73Å; L386-L408 HydrophobicContact CD1-CG 4.12Å; A404-L408 WeakPolarHBondContact O-CD1 3.27Å; T405-L408 PolarHBondContact O-N 3.18Å; T405-L408 VanDerWaalsContact O-N 3.16Å; A406-L408 VanDerWaalsContact C-N 3.28Å; A406-L408 PolarHBondContact O-N 2.86Å; L408-V410 PolarHBondContact O-N 3.12Å; L408-I411 PolarHBondContact O-N 3.14Å; L408-H412 PolarHBondContact O-CD2 3.3Å; L408-H412 VanDerWaalsContact O-CD2 3.27Å; L408-H412 PolarHBondContact O-N 3.15Å; L408-M423 HydrophobicContact CB-CE 4.46Å; L408-M423 HydrophobicContact CB-SD 3.98Å; L408-M423 HydrophobicContact CD2-SD 4.21Å; L408-Y426 HydrophobicContact CD2-CD2 3.98Å; L408-Y426 HydrophobicContact CD2-CE2 3.47Å; L408-Y426 VanDerWaalsContact CD2-CE2 3.47Å
409	G	88.6	Confident	86.1	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-63.2	-25.4	177.8	0	0	0	0	0	114.2	A406 S407 K413 A445 I449	A406-G409 PolarHBondContact O-N 3.48Å; S407-G409 VanDerWaalsContact C-N 3.26Å; S407-G409 PolarHBondContact O-N 3.44Å; G409-K413 PolarHBondContact O-N 3.44Å; G409-A445 WeakPolarHBondContact CA-O 3.25Å; G409-I449 VanDerWaalsContact O-CG1 3.26Å; G409-I449 WeakPolarHBondContact O-CG1 3.43Å
410	V	92.2	Very high	85.7	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-82.3	-40.2	174	-174	0	0	0	0	111.1	S374 F375 C378 G379 S407 L408 K413 L448 H738	S374-V410 VanDerWaalsContact O-CG1 3.26Å; S374-V410 WeakPolarHBondContact O-CG1 3.48Å; F375-V410 HydrophobicContact CD1-CG1 4.49Å; C378-V410 WeakPolarHBondContact CA-O 3.44Å; C378-V410 HydrophobicContact CB-CG1 3.94Å; G379-V410 PolarHBondContact N-O 2.87Å; G379-V410 VanDerWaalsContact N-O 3.13Å; S407-V410 PolarHBondContact O-N 3.41Å; L408-V410 PolarHBondContact O-N 3.12Å; V410-K413 VanDerWaalsContact O-CB 3.31Å; V410-K413 WeakPolarHBondContact O-CB 3.49Å; V410-K413 PolarHBondContact O-N 2.68Å; V410-L448 HydrophobicContact CG2-CD1 4.28Å; V410-H738 HydrophobicContact CG2-CB 4.1Å
411	I	91.3	Very high	85.6	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-66.2	-41.4	179.1	-63.5	168.2	0	0	0	111.4	N373 H377 G379 T380 T381 L386 S407 L408 K413	N373-I411 WeakPolarHBondContact ND2-CD1 3.25Å; H377-I411 HydrophobicContact CB-CG1 4.2Å; H377-I411 HydrophobicContact CB-CG2 4.28Å; G379-I411 WeakPolarHBondContact CA-O 3.48Å; G379-I411 PolarHBondContact N-O 2.7Å; T380-I411 PolarHBondContact N-O 2.92Å; T381-I411 PolarHBondContact N-O 3.4Å; T381-I411 VanDerWaalsContact N-O 3.11Å; L386-I411 HydrophobicContact CD1-CD1 3.66Å; S407-I411 WeakPolarHBondContact O-CG1 3.48Å; S407-I411 PolarHBondContact O-N 3.36Å; L408-I411 PolarHBondContact O-N 3.14Å; I411-K413 VanDerWaalsContact C-N 3.34Å
412	H	88.8	Confident	85.1	Confident	7 Å²	7	33.8 Å²	33.8	3%	0.032	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	20.3	177.3	-59.3	-75.4	0	0	0	113.1	T381 L408 G414 H415 I449	T381-H412 PolarHBondContact O-CE1 3.21Å; L408-H412 PolarHBondContact O-CD2 3.3Å; L408-H412 VanDerWaalsContact O-CD2 3.27Å; L408-H412 PolarHBondContact O-N 3.15Å; H412-G414 PolarHBondContact O-N 2.94Å; H412-H415 HydrophobicContact CB-CB 4.48Å; H412-H415 WeakPolarHBondContact O-CB 3.48Å; H412-H415 PolarHBondContact O-N 2.81Å; H412-H415 VanDerWaalsContact O-N 3.11Å; H412-I449 HydrophobicContact CB-CD1 4.11Å
413	K	88.6	Confident	84.6	Confident	51 Å²	51	33.9 Å²	33.9	22%	0.222	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	128.1	176.1	179	162.2	-178.9	160.2	0	110.8	G409 V410 I411 S741	G409-K413 PolarHBondContact O-N 3.44Å; V410-K413 VanDerWaalsContact O-CB 3.31Å; V410-K413 WeakPolarHBondContact O-CB 3.49Å; V410-K413 PolarHBondContact O-N 2.68Å; I411-K413 VanDerWaalsContact C-N 3.34Å; K413-S741 PolarHBondContact NZ-O 3.49Å
414	G	80.8	Confident	84.2	Confident	11 Å²	11	34.9 Å²	34.9	11%	0.113	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.9	-2.7	-176.6	0	0	0	0	0	116.1	I335 H412 E416	I335-G414 VanDerWaalsContact CG2-CA 3.46Å; I335-G414 WeakPolarHBondContact CG2-O 3.48Å; H412-G414 PolarHBondContact O-N 2.94Å; G414-E416 PolarHBondContact O-N 2.71Å
415	H	82.2	Confident	83.9	Confident	17 Å²	17	39.5 Å²	39.5	8%	0.079	20%	0.2	C	C	.	.			trans	-80.2	50.1	-179.8	-112.5	-93.2	0	0	0	114.6	L339 T381 H412 K417 E418 A419 A891	L339-H415 VanDerWaalsContact CD2-CD2 3.4Å; L339-H415 WeakPolarHBondContact CD2-CD2 3.01Å; L339-H415 WeakPolarHBondContact CD2-NE2 3.39Å; T381-H415 WeakPolarHBondContact CG2-CD2 3.42Å; T381-H415 WeakPolarHBondContact CG2-NE2 3.28Å; H412-H415 HydrophobicContact CB-CB 4.48Å; H412-H415 WeakPolarHBondContact O-CB 3.48Å; H412-H415 PolarHBondContact O-N 2.81Å; H412-H415 VanDerWaalsContact O-N 3.11Å; H415-K417 VanDerWaalsContact C-N 3.29Å; H415-K417 PolarHBondContact O-N 2.81Å; H415-E418 IonicContact CE1-OE2 3.03Å; H415-E418 PolarHBondContact CE1-OE2 2.89Å; H415-E418 IonicContact ND1-OE2 2.59Å; H415-E418 PolarHBondContact ND1-OE2 3.42Å; H415-E418 PolarHBondContact O-N 3.3Å; H415-E418 VanDerWaalsContact O-N 3.1Å; H415-A419 VanDerWaalsContact O-CB 3.22Å; H415-A419 WeakPolarHBondContact O-CB 3.45Å; H415-A419 PolarHBondContact O-N 2.89Å; H415-A891 WeakPolarHBondContact CE1-CB 3.36Å; H415-A891 VanDerWaalsContact NE2-CB 3.31Å; H415-A891 WeakPolarHBondContact NE2-CB 3.48Å
416	E	74.1	Confident	83.6	Confident	45 Å²	45	42.4 Å²	42.4	21%	0.21	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-37.1	-162	-59.7	-172	134.9	0	0	115.4	I335 G414 H450 H453	I335-E416 WeakPolarHBondContact CD1-OE1 3.16Å; G414-E416 PolarHBondContact O-N 2.71Å; E416-H450 VanDerWaalsContact CA-CE1 3.47Å; E416-H450 WeakPolarHBondContact CA-CE1 3.41Å; E416-H450 PolarHBondContact O-CE1 3.46Å; E416-H453 WeakPolarHBondContact OE1-CB 3.41Å; E416-H453 IonicContact OE1-CG 2.82Å
417	K	76.1	Confident	83.1	Confident	157 Å²	157	43 Å²	43	68%	0.683	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-29.3	-176.4	-62.7	172	-166.1	160.1	0	113.9	E336 H415	E336-K417 IonicContact OE1-NZ 3.55Å; E336-K417 PolarHBondContact OE1-NZ 2.95Å; H415-K417 VanDerWaalsContact C-N 3.29Å; H415-K417 PolarHBondContact O-N 2.81Å
418	E	76.7	Confident	82.3	Confident	94 Å²	94	44.3 Å²	44.3	44%	0.439	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.4	-15.6	-171.3	-65.6	177.4	154.2	0	0	112.9	H415 L420 Q421 L422	H415-E418 IonicContact CE1-OE2 3.03Å; H415-E418 PolarHBondContact CE1-OE2 2.89Å; H415-E418 IonicContact ND1-OE2 2.59Å; H415-E418 PolarHBondContact ND1-OE2 3.42Å; H415-E418 PolarHBondContact O-N 3.3Å; H415-E418 VanDerWaalsContact O-N 3.1Å; E418-L420 VanDerWaalsContact C-N 3.25Å; E418-L420 PolarHBondContact O-N 3.45Å; E418-Q421 WeakPolarHBondContact O-CB 3.45Å; E418-Q421 PolarHBondContact O-N 3.04Å; E418-L422 HydrophobicContact CB-CD1 4.35Å; E418-L422 WeakPolarHBondContact O-CG 3.4Å; E418-L422 PolarHBondContact O-N 3.15Å
419	A	77.9	Confident	81.4	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-51.4	-42.6	-179	0	0	0	0	0	112.8	H415 Q421 L422 M423 L446 I449	H415-A419 VanDerWaalsContact O-CB 3.22Å; H415-A419 WeakPolarHBondContact O-CB 3.45Å; H415-A419 PolarHBondContact O-N 2.89Å; A419-Q421 VanDerWaalsContact C-N 3.35Å; A419-Q421 PolarHBondContact O-N 3.07Å; A419-L422 PolarHBondContact O-N 3.28Å; A419-M423 WeakPolarHBondContact O-CB 3.15Å; A419-M423 WeakPolarHBondContact O-CG 3.24Å; A419-M423 PolarHBondContact O-N 3.47Å; A419-L446 HydrophobicContact CB-CD1 4.37Å; A419-I449 HydrophobicContact CB-CD1 3.69Å; A419-I449 HydrophobicContact CB-CG2 3.94Å
420	L	80.5	Confident	79.8	Confident	75 Å²	75	57.7 Å²	57.7	39%	0.393	29%	0.289	S	S	.	.	H	α-helix	trans	-66.7	-35.5	179.3	-164.3	149.3	0	0	0	112.1	E418 A424 I457	E418-L420 VanDerWaalsContact C-N 3.25Å; E418-L420 PolarHBondContact O-N 3.45Å; L420-A424 WeakPolarHBondContact O-CB 3.39Å; L420-A424 PolarHBondContact O-N 3.14Å; L420-I457 HydrophobicContact CD1-CD1 4.17Å
421	Q	82.8	Confident	77.6	Confident	157 Å²	157	64.3 Å²	64.3	73%	0.734	33%	0.329	S	S	*	.	H	α-helix	trans	-71.8	-44.5	175.3	-178.8	174.4	-15.9	0	0	111.9	E418 A419 A424	E418-Q421 WeakPolarHBondContact O-CB 3.45Å; E418-Q421 PolarHBondContact O-N 3.04Å; A419-Q421 VanDerWaalsContact C-N 3.35Å; A419-Q421 PolarHBondContact O-N 3.07Å; Q421-A424 VanDerWaalsContact O-CB 3.32Å; Q421-A424 WeakPolarHBondContact O-CB 3.31Å; Q421-A424 PolarHBondContact O-N 3.04Å
422	L	77.8	Confident	75.8	Confident	70 Å²	70	67.4 Å²	67.4	37%	0.366	35%	0.351	S	S	.	.	H	α-helix	trans	-63.2	-43.2	176.7	-66.8	171	0	0	0	111.6	E418 A419 A424	E418-L422 HydrophobicContact CB-CD1 4.35Å; E418-L422 WeakPolarHBondContact O-CG 3.4Å; E418-L422 PolarHBondContact O-N 3.15Å; A419-L422 PolarHBondContact O-N 3.28Å; L422-A424 VanDerWaalsContact C-N 3.32Å; L422-A424 PolarHBondContact O-N 3.23Å
423	M	80.4	Confident	74.1	Confident	1 Å²	1	73.5 Å²	73.5	1%	0.005	39%	0.391	C	S	.	.	H	α-helix	trans	-81.1	-7.6	179.9	-63.2	-60.2	-62.5	0	0	113.5	T405 L408 A419 T425 Y426 L427 A445 I449	T405-M423 HydrophobicContact CG2-CE 4.17Å; L408-M423 HydrophobicContact CB-CE 4.46Å; L408-M423 HydrophobicContact CB-SD 3.98Å; L408-M423 HydrophobicContact CD2-SD 4.21Å; A419-M423 WeakPolarHBondContact O-CB 3.15Å; A419-M423 WeakPolarHBondContact O-CG 3.24Å; A419-M423 PolarHBondContact O-N 3.47Å; M423-T425 PolarHBondContact O-N 3.02Å; M423-Y426 HydrophobicContact CE-CD2 4.36Å; M423-Y426 PolarHBondContact O-N 3.49Å; M423-Y426 HydrophobicContact SD-CD2 4.41Å; M423-L427 HydrophobicContact CB-CD1 4.05Å; M423-L427 HydrophobicContact CB-CG 4.21Å; M423-L427 WeakPolarHBondContact O-CG 3.28Å; M423-L427 PolarHBondContact O-N 3.07Å; M423-A445 HydrophobicContact CE-CB 3.51Å; M423-I449 HydrophobicContact CG-CD1 4.48Å
424	A	80.9	Confident	73	Confident	24 Å²	24	72.5 Å²	72.5	20%	0.198	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-17.4	-180	0	0	0	0	0	114.3	L420 Q421 L422 K429	L420-A424 WeakPolarHBondContact O-CB 3.39Å; L420-A424 PolarHBondContact O-N 3.14Å; Q421-A424 VanDerWaalsContact O-CB 3.32Å; Q421-A424 WeakPolarHBondContact O-CB 3.31Å; Q421-A424 PolarHBondContact O-N 3.04Å; L422-A424 VanDerWaalsContact C-N 3.32Å; L422-A424 PolarHBondContact O-N 3.23Å; A424-K429 WeakPolarHBondContact O-CE 3.38Å; A424-K429 PolarHBondContact O-NZ 3.29Å
425	T	83.3	Confident	73.1	Confident	100 Å²	100	74 Å²	74	61%	0.613	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-17.8	174.7	-53.4	0	0	0	0	112.8	M423	M423-T425 PolarHBondContact O-N 3.02Å
426	Y	81.4	Confident	73.4	Confident	70 Å²	70	74.2 Å²	74.2	28%	0.275	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.9	-19.4	-176.3	-55.1	-78.2	0	0	0	113.6	T405 L408 M423 Q438	T405-Y426 HydrophobicContact CG2-CD1 4.2Å; T405-Y426 HydrophobicContact CG2-CG 4.08Å; L408-Y426 HydrophobicContact CD2-CD2 3.98Å; L408-Y426 HydrophobicContact CD2-CE2 3.47Å; L408-Y426 VanDerWaalsContact CD2-CE2 3.47Å; M423-Y426 HydrophobicContact CE-CD2 4.36Å; M423-Y426 PolarHBondContact O-N 3.49Å; M423-Y426 HydrophobicContact SD-CD2 4.41Å; Y426-Q438 HydrophobicContact CD1-CG 4.09Å
427	L	81.3	Confident	74.1	Confident	11 Å²	11	74.3 Å²	74.3	6%	0.058	41%	0.407	C	S	.	.	S	Bend	trans	-69.7	151.2	172.2	-72.8	167	0	0	0	111.9	M423 L443 L446	M423-L427 HydrophobicContact CB-CD1 4.05Å; M423-L427 HydrophobicContact CB-CG 4.21Å; M423-L427 WeakPolarHBondContact O-CG 3.28Å; M423-L427 PolarHBondContact O-N 3.07Å; L427-L443 HydrophobicContact CD2-CD2 3.68Å; L427-L443 HydrophobicContact CD2-CG 4.35Å; L427-L446 HydrophobicContact CD2-CD2 4.45Å
428	P	74.1	Confident	74.6	Confident	29 Å²	29	69.3 Å²	69.3	19%	0.188	39%	0.386	C	S	.	.			trans	-61	138.2	178	25.6	-34.5	0	0	0	112.1	E439	P428-E439 HydrophobicContact CB-CB 4.33Å; P428-E439 HydrophobicContact CB-CG 4.25Å
429	K	70.3	Confident	75.1	Confident	116 Å²	116	66.2 Å²	66.2	50%	0.504	37%	0.372	S	S	.	.			trans	-147.2	138.2	178.6	-77.3	175.5	168.1	169.2	0	109.4	A424 T431 S432	A424-K429 WeakPolarHBondContact O-CE 3.38Å; A424-K429 PolarHBondContact O-NZ 3.29Å; K429-T431 PolarHBondContact O-N 3.14Å; K429-S432 PolarHBondContact O-N 3.41Å
430	D	55.5	Low	75.6	Confident	177 Å²	177	66.2 Å²	66.2	95%	0.947	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-2.6	-176	-53.5	-62.5	0	0	0	115.8
431	T	44.6	Very low	76.1	Confident	139 Å²	139	62.7 Å²	62.7	85%	0.853	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.4	4.5	-171.5	-20.4	0	0	0	0	113.8	K429	K429-T431 PolarHBondContact O-N 3.14Å
432	S	54.2	Low	76.4	Confident	65 Å²	65	55.2 Å²	55.2	46%	0.455	32%	0.318	S	S	.	.			trans	-107.6	133	-175.6	-167	0	0	0	0	112.1	K429 G434	K429-S432 PolarHBondContact O-N 3.41Å; S432-G434 PolarHBondContact O-N 2.93Å
433	P	53.3	Low	77.1	Confident	134 Å²	134	51.9 Å²	51.9	87%	0.87	30%	0.301	S	S	*	.			trans	-77.3	55.6	169.3	34.4	-35.2	0	0	0	110.7
434	G	64.8	Low	77.7	Confident	30 Å²	30	51.8 Å²	51.8	31%	0.309	30%	0.301	S	S	.	.			trans	-66.3	158.5	178.4	0	0	0	0	0	112.4	S432	S432-G434 PolarHBondContact O-N 2.93Å
435	S	83.5	Confident	78.3	Confident	42 Å²	42	50.7 Å²	50.7	29%	0.294	29%	0.291	S	S	.	.			trans	-93.4	131.1	163.2	-171.3	0	0	0	0	108.1	Y437 Q438 E439	S435-Y437 PolarHBondContact O-N 3.42Å; S435-Q438 WeakPolarHBondContact O-CA 3.41Å; S435-Q438 VanDerWaalsContact O-CB 3.31Å; S435-Q438 WeakPolarHBondContact O-CB 3.43Å; S435-Q438 PolarHBondContact O-N 3.14Å; S435-E439 PolarHBondContact O-N 3Å
436	A	87.6	Confident	78.6	Confident	22 Å²	22	45.9 Å²	45.9	18%	0.182	26%	0.262	C	S	.	.	H	α-helix	trans	-54	-26.1	-179.8	0	0	0	0	0	113.8	G440 I472 V473	A436-G440 PolarHBondContact O-N 2.85Å; A436-I472 HydrophobicContact CB-CB 4.25Å; A436-I472 HydrophobicContact CB-CD1 4.13Å; A436-I472 WeakPolarHBondContact O-CG2 3.45Å; A436-V473 HydrophobicContact CB-CG2 4.31Å
437	Y	88.4	Confident	79.1	Confident	47 Å²	47	42.6 Å²	42.6	18%	0.184	25%	0.249	C	C	.	.	H	α-helix	trans	-65.2	-36.7	171.3	-66.2	-77.3	0	0	0	113.9	N398 W399 F402 S435 G441 I472	N398-Y437 HydrophobicContact CB-CD2 4.44Å; N398-Y437 HydrophobicContact CB-CE1 4.1Å; N398-Y437 HydrophobicContact CB-CE2 3.99Å; W399-Y437 HydrophobicContact CD2-CD1 4.04Å; W399-Y437 AromaticContact CD2-CE1 3.77Å; W399-Y437 HydrophobicContact CD2-CE1 3.77Å; W399-Y437 AromaticContact CE2-CE1 3.52Å; W399-Y437 AromaticContact CE3-CD1 3.94Å; W399-Y437 HydrophobicContact CE3-CD1 3.94Å; W399-Y437 HydrophobicContact CE3-CE1 4.06Å; W399-Y437 HydrophobicContact CG-CE1 4.35Å; W399-Y437 HydrophobicContact CH2-CD1 4.22Å; W399-Y437 AromaticContact CH2-CE1 3.9Å; W399-Y437 HydrophobicContact CH2-CE1 3.9Å; W399-Y437 HydrophobicContact CZ2-CD1 4.32Å; W399-Y437 AromaticContact CZ2-CE1 3.59Å; W399-Y437 HydrophobicContact CZ2-CE1 3.59Å; W399-Y437 HydrophobicContact CZ3-CD1 4.02Å; W399-Y437 HydrophobicContact CZ3-CE1 4.12Å; F402-Y437 VanDerWaalsContact CA-O 3.29Å; F402-Y437 WeakPolarHBondContact CA-O 3.19Å; F402-Y437 HydrophobicContact CB-CD1 4.49Å; F402-Y437 WeakPolarHBondContact CB-O 3.28Å; F402-Y437 VanDerWaalsContact CD2-O 3.31Å; F402-Y437 WeakPolarHBondContact CD2-O 3.4Å; S435-Y437 PolarHBondContact O-N 3.42Å; Y437-G441 PolarHBondContact O-N 3.24Å; Y437-I472 HydrophobicContact CD1-CD1 4.24Å; Y437-I472 HydrophobicContact CD1-CG2 3.8Å; Y437-I472 HydrophobicContact CD2-CD1 4.29Å; Y437-I472 HydrophobicContact CE1-CD1 3.81Å; Y437-I472 HydrophobicContact CE1-CG1 4.31Å; Y437-I472 HydrophobicContact CE1-CG2 4.22Å; Y437-I472 HydrophobicContact CE2-CD1 3.88Å; Y437-I472 HydrophobicContact CG-CD1 4.46Å; Y437-I472 HydrophobicContact CG-CG2 4.25Å
438	Q	87.2	Confident	79.6	Confident	53 Å²	53	42 Å²	42	25%	0.248	25%	0.246	C	C	.	.	H	α-helix	trans	-73.3	-42.3	175.7	175.8	176.8	-29.9	0	0	110.4	Y426 S435 G441 G442	Y426-Q438 HydrophobicContact CD1-CG 4.09Å; S435-Q438 WeakPolarHBondContact O-CA 3.41Å; S435-Q438 VanDerWaalsContact O-CB 3.31Å; S435-Q438 WeakPolarHBondContact O-CB 3.43Å; S435-Q438 PolarHBondContact O-N 3.14Å; Q438-G441 CarbonylContact O-C 3.6Å; Q438-G441 PolarHBondContact O-N 3.32Å; Q438-G442 PolarHBondContact O-N 3.32Å
439	E	87.4	Confident	80.4	Confident	29 Å²	29	41 Å²	41	14%	0.136	24%	0.239	C	C	.	.	H	α-helix	trans	-64.5	-48.6	177.9	-64.7	168.4	168.6	0	0	111.9	P428 S435 G441 G442 L443 V473	P428-E439 HydrophobicContact CB-CB 4.33Å; P428-E439 HydrophobicContact CB-CG 4.25Å; S435-E439 PolarHBondContact O-N 3Å; E439-G441 VanDerWaalsContact C-N 3.35Å; E439-G441 PolarHBondContact O-N 2.93Å; E439-G442 PolarHBondContact O-N 3.02Å; E439-G442 VanDerWaalsContact O-N 3.15Å; E439-L443 PolarHBondContact O-N 3.39Å; E439-V473 HydrophobicContact CB-CG2 4.08Å
440	G	89	Confident	81.3	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-61.7	-41.3	172.8	0	0	0	0	0	112.3	F402 A436 G442 L443 Y444 G476	F402-G440 VanDerWaalsContact CE2-C 3.44Å; A436-G440 PolarHBondContact O-N 2.85Å; G440-G442 VanDerWaalsContact C-N 3.26Å; G440-G442 PolarHBondContact O-N 3.44Å; G440-L443 PolarHBondContact O-N 3.01Å; G440-Y444 WeakPolarHBondContact O-CB 3.35Å; G440-Y444 PolarHBondContact O-N 3.02Å; G440-G476 WeakPolarHBondContact O-CA 3.45Å
441	G	89.8	Confident	82.8	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-63	-31.3	173.8	0	0	0	0	0	113.1	Y437 Q438 E439 A445	Y437-G441 PolarHBondContact O-N 3.24Å; Q438-G441 CarbonylContact O-C 3.6Å; Q438-G441 PolarHBondContact O-N 3.32Å; E439-G441 VanDerWaalsContact C-N 3.35Å; E439-G441 PolarHBondContact O-N 2.93Å; G441-A445 VanDerWaalsContact O-CB 3.25Å; G441-A445 WeakPolarHBondContact O-CB 3.38Å; G441-A445 PolarHBondContact O-N 3.09Å
442	G	90	Very high	84.6	Confident	0 Å²	0	22 Å²	22	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-70.9	-43.1	175.3	0	0	0	0	0	113.2	Q438 E439 G440 A445 L446	Q438-G442 PolarHBondContact O-N 3.32Å; E439-G442 PolarHBondContact O-N 3.02Å; E439-G442 VanDerWaalsContact O-N 3.15Å; G440-G442 VanDerWaalsContact C-N 3.26Å; G440-G442 PolarHBondContact O-N 3.44Å; G442-A445 PolarHBondContact O-N 3.26Å; G442-L446 PolarHBondContact O-N 3.46Å
443	L	92	Very high	85.9	Confident	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-65.2	-39.1	172.9	-63.7	174.8	0	0	0	111.8	L427 E439 G440 L446 G447 Y460 L461 Q464 V473	L427-L443 HydrophobicContact CD2-CD2 3.68Å; L427-L443 HydrophobicContact CD2-CG 4.35Å; E439-L443 PolarHBondContact O-N 3.39Å; G440-L443 PolarHBondContact O-N 3.01Å; L443-L446 PolarHBondContact O-N 3.18Å; L443-G447 PolarHBondContact O-N 3.25Å; L443-Y460 HydrophobicContact CD2-CE1 4.42Å; L443-L461 HydrophobicContact CB-CD2 4.2Å; L443-L461 HydrophobicContact CD2-CD2 3.84Å; L443-Q464 HydrophobicContact CD2-CB 4.27Å; L443-Q464 HydrophobicContact CD2-CG 4.22Å; L443-V473 HydrophobicContact CD1-CG1 3.5Å
444	Y	93.7	Very high	86.5	Confident	0 Å²	0	15 Å²	15	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-66.8	-42.2	175.3	-179.7	-132.2	0	0	0	112	F402 A406 G440 L446 G447 L448 G476 L479 L483 P735 H738 F739	F402-Y444 AromaticContact CE1-CD1 3.69Å; F402-Y444 HydrophobicContact CE1-CD1 3.69Å; F402-Y444 HydrophobicContact CE1-CE1 4.37Å; F402-Y444 HydrophobicContact CE1-CG 4.35Å; F402-Y444 HydrophobicContact CZ-CD1 4.1Å; F402-Y444 HydrophobicContact CZ-CG 4.3Å; A406-Y444 HydrophobicContact CB-CD1 3.6Å; A406-Y444 HydrophobicContact CB-CE1 3.97Å; G440-Y444 WeakPolarHBondContact O-CB 3.35Å; G440-Y444 PolarHBondContact O-N 3.02Å; Y444-L446 VanDerWaalsContact C-N 3.34Å; Y444-L446 PolarHBondContact O-N 3.36Å; Y444-G447 PolarHBondContact O-N 3.02Å; Y444-L448 HydrophobicContact CD1-CD1 4.1Å; Y444-L448 HydrophobicContact CD2-CD1 4.49Å; Y444-L448 HydrophobicContact CD2-CG 4.44Å; Y444-L448 HydrophobicContact CE1-CD1 3.76Å; Y444-L448 HydrophobicContact CE2-CD1 4.19Å; Y444-L448 HydrophobicContact CE2-CD2 4.34Å; Y444-L448 HydrophobicContact CE2-CG 4.07Å; Y444-L448 HydrophobicContact CG-CD1 4.43Å; Y444-L448 WeakPolarHBondContact O-CG 3.45Å; Y444-L448 PolarHBondContact O-N 3.48Å; Y444-G476 WeakPolarHBondContact CA-O 3.49Å; Y444-G476 PolarHBondContact N-O 2.88Å; Y444-L479 HydrophobicContact CD2-CB 3.46Å; Y444-L479 VanDerWaalsContact CD2-CB 3.46Å; Y444-L479 HydrophobicContact CD2-CD1 4.19Å; Y444-L479 HydrophobicContact CD2-CG 4.48Å; Y444-L479 HydrophobicContact CE2-CB 3.73Å; Y444-L479 HydrophobicContact CE2-CD1 4.15Å; Y444-L479 HydrophobicContact CG-CB 4.37Å; Y444-L483 HydrophobicContact CD2-CD1 4.15Å; Y444-L483 HydrophobicContact CE2-CD1 3.6Å; Y444-P735 HydrophobicContact CE1-CB 4.48Å; Y444-P735 PolarHBondContact OH-O 3.14Å; Y444-H738 HydrophobicContact CE1-CB 4.26Å; Y444-F739 AromaticContact CE2-CE2 3.98Å; Y444-F739 HydrophobicContact CE2-CE2 3.98Å; Y444-F739 HydrophobicContact CE2-CZ 4.25Å; Y444-F739 AromaticContact CZ-CE2 3.86Å; Y444-F739 WeakPolarHBondContact OH-CD2 3.44Å; Y444-F739 WeakPolarHBondContact OH-CE2 3.46Å
445	A	91.9	Very high	87.2	Confident	0 Å²	0	15.8 Å²	15.8	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-58.2	-42.8	172.3	0	0	0	0	0	112.5	G409 M423 G441 G442 G447 L448 I449	G409-A445 WeakPolarHBondContact CA-O 3.25Å; M423-A445 HydrophobicContact CE-CB 3.51Å; G441-A445 VanDerWaalsContact O-CB 3.25Å; G441-A445 WeakPolarHBondContact O-CB 3.38Å; G441-A445 PolarHBondContact O-N 3.09Å; G442-A445 PolarHBondContact O-N 3.26Å; A445-G447 VanDerWaalsContact C-N 3.34Å; A445-G447 PolarHBondContact O-N 2.94Å; A445-L448 WeakPolarHBondContact O-CB 3.46Å; A445-L448 PolarHBondContact O-N 3.03Å; A445-I449 WeakPolarHBondContact O-CG1 3.49Å; A445-I449 PolarHBondContact O-N 3.44Å; A445-I449 VanDerWaalsContact O-N 3.09Å
446	L	91.3	Very high	87.1	Confident	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-61.5	-42.1	177.3	-171.8	64.5	0	0	0	111.5	A419 L427 G442 L443 Y444 I449 H450 I457 Y460 L461	A419-L446 HydrophobicContact CB-CD1 4.37Å; L427-L446 HydrophobicContact CD2-CD2 4.45Å; G442-L446 PolarHBondContact O-N 3.46Å; L443-L446 PolarHBondContact O-N 3.18Å; Y444-L446 VanDerWaalsContact C-N 3.34Å; Y444-L446 PolarHBondContact O-N 3.36Å; L446-I449 PolarHBondContact O-N 3.24Å; L446-H450 PolarHBondContact O-CD2 3.03Å; L446-H450 PolarHBondContact O-N 3.47Å; L446-H450 VanDerWaalsContact O-N 3.14Å; L446-I457 HydrophobicContact CD2-CG2 4.08Å; L446-I457 HydrophobicContact CG-CG2 3.96Å; L446-Y460 HydrophobicContact CD2-CD1 3.79Å; L446-Y460 HydrophobicContact CD2-CE1 3.73Å; L446-L461 HydrophobicContact CD2-CD2 4.2Å
447	G	90.9	Very high	87.1	Confident	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-68.3	-28.8	173.9	0	0	0	0	0	114.8	L443 Y444 A445 A451 G480 L483	L443-G447 PolarHBondContact O-N 3.25Å; Y444-G447 PolarHBondContact O-N 3.02Å; A445-G447 VanDerWaalsContact C-N 3.34Å; A445-G447 PolarHBondContact O-N 2.94Å; G447-A451 WeakPolarHBondContact O-CA 3.37Å; G447-A451 PolarHBondContact O-N 2.92Å; G447-A451 VanDerWaalsContact O-N 3.08Å; G447-G480 WeakPolarHBondContact CA-O 3.41Å; G447-L483 WeakPolarHBondContact O-CB 3.34Å
448	L	91.8	Very high	87.1	Confident	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-69.1	-33.5	172.3	-76.2	165.3	0	0	0	112.6	V410 Y444 A445 L483 H738	V410-L448 HydrophobicContact CG2-CD1 4.28Å; Y444-L448 HydrophobicContact CD1-CD1 4.1Å; Y444-L448 HydrophobicContact CD2-CD1 4.49Å; Y444-L448 HydrophobicContact CD2-CG 4.44Å; Y444-L448 HydrophobicContact CE1-CD1 3.76Å; Y444-L448 HydrophobicContact CE2-CD1 4.19Å; Y444-L448 HydrophobicContact CE2-CD2 4.34Å; Y444-L448 HydrophobicContact CE2-CG 4.07Å; Y444-L448 HydrophobicContact CG-CD1 4.43Å; Y444-L448 WeakPolarHBondContact O-CG 3.45Å; Y444-L448 PolarHBondContact O-N 3.48Å; A445-L448 WeakPolarHBondContact O-CB 3.46Å; A445-L448 PolarHBondContact O-N 3.03Å; L448-L483 HydrophobicContact CD2-CD1 3.68Å; L448-L483 HydrophobicContact CG-CD1 3.88Å; L448-H738 HydrophobicContact CD1-CB 3.74Å; L448-H738 HydrophobicContact CD2-CB 4.18Å
449	I	90.8	Very high	87.3	Confident	6 Å²	6	19.2 Å²	19.2	3%	0.031	12%	0.117	C	C	.	.	H	α-helix	trans	-68.7	-50.1	174.7	-64.5	170.8	0	0	0	110.3	G409 H412 A419 M423 A445 L446 A451	G409-I449 VanDerWaalsContact O-CG1 3.26Å; G409-I449 WeakPolarHBondContact O-CG1 3.43Å; H412-I449 HydrophobicContact CB-CD1 4.11Å; A419-I449 HydrophobicContact CB-CD1 3.69Å; A419-I449 HydrophobicContact CB-CG2 3.94Å; M423-I449 HydrophobicContact CG-CD1 4.48Å; A445-I449 WeakPolarHBondContact O-CG1 3.49Å; A445-I449 PolarHBondContact O-N 3.44Å; A445-I449 VanDerWaalsContact O-N 3.09Å; L446-I449 PolarHBondContact O-N 3.24Å; I449-A451 VanDerWaalsContact C-N 3.34Å; I449-A451 PolarHBondContact O-N 2.76Å
450	H	89.1	Confident	87.4	Confident	7 Å²	7	20.8 Å²	20.8	3%	0.032	12%	0.122	C	C	.	.	S	Bend	trans	-92.7	22.7	-175.3	-65.9	-87.9	0	0	0	114.1	E416 L446 N452 H453 G454 I457	E416-H450 VanDerWaalsContact CA-CE1 3.47Å; E416-H450 WeakPolarHBondContact CA-CE1 3.41Å; E416-H450 PolarHBondContact O-CE1 3.46Å; L446-H450 PolarHBondContact O-CD2 3.03Å; L446-H450 PolarHBondContact O-N 3.47Å; L446-H450 VanDerWaalsContact O-N 3.14Å; H450-N452 PolarHBondContact O-N 3.27Å; H450-H453 CarbonylContact O-C 3.43Å; H450-H453 PolarHBondContact O-N 3.13Å; H450-G454 PolarHBondContact O-N 3.44Å; H450-I457 HydrophobicContact CB-CG2 4.22Å
451	A	87.2	Confident	87.5	Confident	6 Å²	6	20.8 Å²	20.8	5%	0.05	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	129.7	-178.6	0	0	0	0	0	111.2	G447 I449 H453 L483 L742	G447-A451 WeakPolarHBondContact O-CA 3.37Å; G447-A451 PolarHBondContact O-N 2.92Å; G447-A451 VanDerWaalsContact O-N 3.08Å; I449-A451 VanDerWaalsContact C-N 3.34Å; I449-A451 PolarHBondContact O-N 2.76Å; A451-H453 PolarHBondContact O-N 2.7Å; A451-H453 VanDerWaalsContact O-N 3.1Å; A451-H453 PolarHBondContact O-ND1 3.41Å; A451-L483 WeakPolarHBondContact CA-O 3.36Å; A451-L483 HydrophobicContact CB-CB 4.38Å; A451-L483 HydrophobicContact CB-CD2 4.31Å; A451-L742 HydrophobicContact CB-CD2 3.5Å
452	N	83	Confident	87.6	Confident	22 Å²	22	22.2 Å²	22.2	12%	0.118	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.7	-15.1	-168.7	-40.8	-12.8	0	0	0	115.9	Q258 H450 L483 M486 P719	Q258-N452 PolarHBondContact NE2-O 3.49Å; Q258-N452 VanDerWaalsContact NE2-O 3.09Å; H450-N452 PolarHBondContact O-N 3.27Å; N452-L483 PolarHBondContact N-O 3.08Å; N452-M486 WeakPolarHBondContact OD1-CE 3.35Å; N452-P719 VanDerWaalsContact ND2-CG 3.29Å; N452-P719 WeakPolarHBondContact ND2-CG 3.2Å
453	H	80.8	Confident	87.6	Confident	30 Å²	30	26.3 Å²	26.3	14%	0.139	15%	0.151	C	C	.	.			trans	-110.4	35.1	-171.1	-60.3	84.2	0	0	0	111.3	Y253 S330 I335 E416 H450 A451 G455	Y253-H453 AromaticContact CE2-NE2 3.54Å; Y253-H453 AromaticContact CZ-NE2 3.73Å; Y253-H453 PolarHBondContact OH-CE1 3.17Å; Y253-H453 PolarHBondContact OH-NE2 2.76Å; S330-H453 PolarHBondContact O-CD2 3.17Å; I335-H453 HydrophobicContact CD1-CB 4.38Å; E416-H453 WeakPolarHBondContact OE1-CB 3.41Å; E416-H453 IonicContact OE1-CG 2.82Å; H450-H453 CarbonylContact O-C 3.43Å; H450-H453 PolarHBondContact O-N 3.13Å; A451-H453 PolarHBondContact O-N 2.7Å; A451-H453 VanDerWaalsContact O-N 3.1Å; A451-H453 PolarHBondContact O-ND1 3.41Å; H453-G455 PolarHBondContact O-N 3.05Å
454	G	67.2	Low	87.4	Confident	22 Å²	22	28.7 Å²	28.7	23%	0.227	16%	0.162	C	C	.	.			trans	-71.8	86.8	177.2	0	0	0	0	0	112.8	H450 I458 A484	H450-G454 PolarHBondContact O-N 3.44Å; G454-I458 WeakPolarHBondContact O-CD1 3.38Å; G454-A484 WeakPolarHBondContact CA-O 3.44Å; G454-A484 PolarHBondContact N-O 2.8Å
455	G	77.9	Confident	87.1	Confident	45 Å²	45	28.8 Å²	28.8	46%	0.464	16%	0.163	S	C	.	.	S	Bend	trans	-80	-131	155.2	0	0	0	0	0	110.7	H453 I457 I458	H453-G455 PolarHBondContact O-N 3.05Å; G455-I457 PolarHBondContact O-N 3.03Å; G455-I458 PolarHBondContact O-N 2.91Å
456	D	82.3	Confident	86.9	Confident	144 Å²	144	36 Å²	36	77%	0.77	19%	0.194	S	C	*	.	H	α-helix	trans	-47.8	-26.1	-179.8	-48.4	-11.1	0	0	0	114.5	I458 D459 Y460	D456-I458 VanDerWaalsContact C-N 3.31Å; D456-I458 PolarHBondContact O-N 3.1Å; D456-D459 PolarHBondContact O-N 3.4Å; D456-Y460 PolarHBondContact O-N 3.01Å
457	I	87.1	Confident	86.7	Confident	22 Å²	22	42 Å²	42	11%	0.113	23%	0.227	C	C	.	.	H	α-helix	trans	-64.8	-29.5	176.8	-58.9	-61.4	0	0	0	112.7	L420 L446 H450 G455 L461	L420-I457 HydrophobicContact CD1-CD1 4.17Å; L446-I457 HydrophobicContact CD2-CG2 4.08Å; L446-I457 HydrophobicContact CG-CG2 3.96Å; H450-I457 HydrophobicContact CB-CG2 4.22Å; G455-I457 PolarHBondContact O-N 3.03Å; I457-L461 HydrophobicContact CG2-CD1 3.89Å; I457-L461 HydrophobicContact CG2-CG 4.21Å; I457-L461 WeakPolarHBondContact O-CB 3.38Å; I457-L461 VanDerWaalsContact O-CG 3.25Å; I457-L461 WeakPolarHBondContact O-CG 3.5Å; I457-L461 PolarHBondContact O-N 2.89Å
458	I	89.5	Confident	86.4	Confident	3 Å²	3	42.8 Å²	42.8	2%	0.015	23%	0.233	C	C	.	.	H	α-helix	trans	-59.9	-50.8	170.7	-66.9	-179.9	0	0	0	109.1	G454 G455 D456 Y460 L461 L462 L481 A484 A485 V493	G454-I458 WeakPolarHBondContact O-CD1 3.38Å; G455-I458 PolarHBondContact O-N 2.91Å; D456-I458 VanDerWaalsContact C-N 3.31Å; D456-I458 PolarHBondContact O-N 3.1Å; I458-Y460 PolarHBondContact O-N 3.47Å; I458-L461 PolarHBondContact O-N 3.38Å; I458-L462 WeakPolarHBondContact O-CB 3.17Å; I458-L462 PolarHBondContact O-N 3.44Å; I458-L481 HydrophobicContact CB-CD1 4.42Å; I458-L481 HydrophobicContact CG2-CD1 3.74Å; I458-A484 HydrophobicContact CG1-CB 3.96Å; I458-A485 HydrophobicContact CD1-CB 3.78Å; I458-A485 HydrophobicContact CG1-CB 4.32Å; I458-V493 HydrophobicContact CG2-CG2 3.88Å
459	D	90.2	Very high	85.7	Confident	67 Å²	67	47 Å²	47	36%	0.358	26%	0.263	S	S	.	.	H	α-helix	trans	-73.3	-30.3	-174.3	-60.2	-25.3	0	0	0	111.1	D456 N463 R490	D456-D459 PolarHBondContact O-N 3.4Å; D459-N463 WeakPolarHBondContact O-CB 3.31Å; D459-N463 PolarHBondContact O-N 3.34Å; D459-N463 PolarHBondContact O-ND2 3.42Å; D459-R490 IonicContact OD1-CZ 3.61Å; D459-R490 IonicContact OD1-NH1 3.94Å; D459-R490 PolarHBondContact OD1-NH1 2.91Å; D459-R490 IonicContact OD1-NH2 3.92Å; D459-R490 PolarHBondContact OD1-NH2 2.97Å; D459-R490 VanDerWaalsContact OD1-NH2 3.13Å
460	Y	90.6	Very high	85.5	Confident	63 Å²	63	50.6 Å²	50.6	25%	0.247	28%	0.281	C	S	.	.	H	α-helix	trans	-60.8	-52.3	166.4	175.7	-98.7	0	0	0	111.9	L443 L446 D456 I458 L462 N463 Q464	L443-Y460 HydrophobicContact CD2-CE1 4.42Å; L446-Y460 HydrophobicContact CD2-CD1 3.79Å; L446-Y460 HydrophobicContact CD2-CE1 3.73Å; D456-Y460 PolarHBondContact O-N 3.01Å; I458-Y460 PolarHBondContact O-N 3.47Å; Y460-L462 VanDerWaalsContact C-N 3.34Å; Y460-L462 PolarHBondContact O-N 3.44Å; Y460-N463 PolarHBondContact O-N 3.24Å; Y460-Q464 HydrophobicContact CD1-CG 4.33Å; Y460-Q464 HydrophobicContact CE1-CG 3.91Å; Y460-Q464 HydrophobicContact CE2-CG 4.19Å; Y460-Q464 WeakPolarHBondContact O-CG 3.05Å; Y460-Q464 PolarHBondContact O-N 3.01Å
461	L	90.2	Very high	85.4	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-63.6	-38.2	-180	-73.1	172.1	0	0	0	112.1	L443 L446 I457 I458 Q464 L465 L481 A484	L443-L461 HydrophobicContact CB-CD2 4.2Å; L443-L461 HydrophobicContact CD2-CD2 3.84Å; L446-L461 HydrophobicContact CD2-CD2 4.2Å; I457-L461 HydrophobicContact CG2-CD1 3.89Å; I457-L461 HydrophobicContact CG2-CG 4.21Å; I457-L461 WeakPolarHBondContact O-CB 3.38Å; I457-L461 VanDerWaalsContact O-CG 3.25Å; I457-L461 WeakPolarHBondContact O-CG 3.5Å; I457-L461 PolarHBondContact O-N 2.89Å; I458-L461 PolarHBondContact O-N 3.38Å; L461-Q464 PolarHBondContact O-N 3.45Å; L461-L465 WeakPolarHBondContact O-CB 3.07Å; L461-L465 PolarHBondContact O-N 2.63Å; L461-L481 HydrophobicContact CB-CB 4.3Å; L461-L481 HydrophobicContact CB-CD1 4.06Å; L461-A484 HydrophobicContact CD1-CB 4.26Å
462	L	91.5	Very high	85.5	Confident	29 Å²	29	55 Å²	55	15%	0.152	30%	0.304	C	S	.	.	H	α-helix	trans	-61.4	-47	175.3	-168.9	166.8	0	0	0	111	I458 Y460 L465 K466 L481 V493 L496	I458-L462 WeakPolarHBondContact O-CB 3.17Å; I458-L462 PolarHBondContact O-N 3.44Å; Y460-L462 VanDerWaalsContact C-N 3.34Å; Y460-L462 PolarHBondContact O-N 3.44Å; L462-L465 PolarHBondContact O-N 3.18Å; L462-K466 WeakPolarHBondContact O-CB 3.43Å; L462-K466 PolarHBondContact O-N 3.31Å; L462-L481 HydrophobicContact CB-CD1 4.44Å; L462-V493 HydrophobicContact CD1-CG2 4.37Å; L462-L496 HydrophobicContact CD2-CD2 3.89Å; L462-L496 HydrophobicContact CG-CD2 3.71Å
463	N	90.4	Very high	85.9	Confident	87 Å²	87	54.4 Å²	54.4	47%	0.465	30%	0.301	S	S	.	.	H	α-helix	trans	-64.5	-40.6	175.6	-77.9	-55.6	0	0	0	112.4	D459 Y460 K466 N467	D459-N463 WeakPolarHBondContact O-CB 3.31Å; D459-N463 PolarHBondContact O-N 3.34Å; D459-N463 PolarHBondContact O-ND2 3.42Å; Y460-N463 PolarHBondContact O-N 3.24Å; N463-K466 PolarHBondContact O-N 2.95Å; N463-N467 WeakPolarHBondContact O-CB 3.36Å; N463-N467 VanDerWaalsContact O-CG 3.3Å; N463-N467 PolarHBondContact O-N 3.19Å; N463-N467 VanDerWaalsContact O-N 3.15Å; N463-N467 PolarHBondContact O-ND2 3.07Å
464	Q	88.3	Confident	86.4	Confident	49 Å²	49	55.2 Å²	55.2	23%	0.229	30%	0.303	C	S	.	.	H	α-helix	trans	-61.5	-43.3	173.1	-69.7	-63.6	-30.4	0	0	111.5	L443 Y460 L461 K466 N467 A468	L443-Q464 HydrophobicContact CD2-CB 4.27Å; L443-Q464 HydrophobicContact CD2-CG 4.22Å; Y460-Q464 HydrophobicContact CD1-CG 4.33Å; Y460-Q464 HydrophobicContact CE1-CG 3.91Å; Y460-Q464 HydrophobicContact CE2-CG 4.19Å; Y460-Q464 WeakPolarHBondContact O-CG 3.05Å; Y460-Q464 PolarHBondContact O-N 3.01Å; L461-Q464 PolarHBondContact O-N 3.45Å; Q464-K466 PolarHBondContact O-N 3.19Å; Q464-N467 PolarHBondContact O-N 3.47Å; Q464-A468 VanDerWaalsContact O-CB 3.29Å; Q464-A468 WeakPolarHBondContact O-CB 3.3Å; Q464-A468 PolarHBondContact O-N 3.21Å
465	L	87.6	Confident	87.5	Confident	3 Å²	3	54.2 Å²	54.2	2%	0.016	29%	0.292	C	S	.	.	H	α-helix	trans	-63.3	-42.2	177.8	-125.6	64.9	0	0	0	113	L461 L462 N467 A468 G477 L481 L496 L497	L461-L465 WeakPolarHBondContact O-CB 3.07Å; L461-L465 PolarHBondContact O-N 2.63Å; L462-L465 PolarHBondContact O-N 3.18Å; L465-N467 VanDerWaalsContact C-N 3.27Å; L465-N467 PolarHBondContact O-N 3.08Å; L465-A468 PolarHBondContact O-N 3.37Å; L465-G477 VanDerWaalsContact CD1-CA 3.44Å; L465-L481 HydrophobicContact CD2-CD2 3.77Å; L465-L496 HydrophobicContact CB-CD2 4.23Å; L465-L496 HydrophobicContact CD2-CD2 4.48Å; L465-L497 HydrophobicContact CD2-CD2 4.25Å
466	K	88.7	Confident	88.1	Confident	151 Å²	151	52 Å²	52	66%	0.657	27%	0.27	S	S	*	.	H	α-helix	trans	-66	-29.9	179.3	-170.7	172	-177.7	175.2	0	112.8	L462 N463 Q464	L462-K466 WeakPolarHBondContact O-CB 3.43Å; L462-K466 PolarHBondContact O-N 3.31Å; N463-K466 PolarHBondContact O-N 2.95Å; Q464-K466 PolarHBondContact O-N 3.19Å
467	N	86.8	Confident	88.5	Confident	127 Å²	127	45.2 Å²	45.2	68%	0.679	23%	0.234	S	C	*	.	H	α-helix	trans	-93.6	-15.9	178.8	-64.6	-12.2	0	0	0	113.3	N463 Q464 L465 S469	N463-N467 WeakPolarHBondContact O-CB 3.36Å; N463-N467 VanDerWaalsContact O-CG 3.3Å; N463-N467 PolarHBondContact O-N 3.19Å; N463-N467 VanDerWaalsContact O-N 3.15Å; N463-N467 PolarHBondContact O-ND2 3.07Å; Q464-N467 PolarHBondContact O-N 3.47Å; L465-N467 VanDerWaalsContact C-N 3.27Å; L465-N467 PolarHBondContact O-N 3.08Å; N467-S469 PolarHBondContact O-N 2.69Å
468	A	83.6	Confident	88.9	Confident	15 Å²	15	44.1 Å²	44.1	12%	0.124	23%	0.228	C	C	.	.			trans	-68.7	122.4	-175.2	0	0	0	0	0	112.6	Q464 L465 V473 R474	Q464-A468 VanDerWaalsContact O-CB 3.29Å; Q464-A468 WeakPolarHBondContact O-CB 3.3Å; Q464-A468 PolarHBondContact O-N 3.21Å; L465-A468 PolarHBondContact O-N 3.37Å; A468-V473 HydrophobicContact CB-CB 4.48Å; A468-V473 HydrophobicContact CB-CG1 4.13Å; A468-R474 HydrophobicContact CB-CG 3.91Å; A468-R474 VanDerWaalsContact O-CZ 3.29Å; A468-R474 PolarHBondContact O-NE 3.42Å; A468-R474 PolarHBondContact O-NH2 3.21Å
469	S	77.7	Confident	89	Confident	90 Å²	90	44 Å²	44	63%	0.629	23%	0.228	S	C	*	.			trans	-86.2	-28.4	170.9	52.9	0	0	0	0	113.7	N467 R474	N467-S469 PolarHBondContact O-N 2.69Å; S469-R474 PolarHBondContact O-NH2 2.67Å
470	N	85.3	Confident	89.1	Confident	80 Å²	80	40.9 Å²	40.9	43%	0.428	21%	0.211	S	C	.	.			trans	-91.7	127.2	-172.5	-70.1	-30.6	0	0	0	112.5	I472 V473 R474	N470-I472 VanDerWaalsContact C-N 3.31Å; N470-I472 PolarHBondContact O-N 3.26Å; N470-V473 HydrophobicContact CB-CB 4.17Å; N470-V473 HydrophobicContact CB-CG2 3.81Å; N470-V473 WeakPolarHBondContact O-CA 3.13Å; N470-V473 WeakPolarHBondContact O-CB 3.38Å; N470-V473 PolarHBondContact O-N 2.83Å; N470-R474 PolarHBondContact O-N 2.9Å
471	D	88.1	Confident	89.2	Confident	72 Å²	72	37.9 Å²	37.9	39%	0.385	20%	0.199	S	C	.	.	H	α-helix	trans	-60.2	-36.3	-177.8	-46.4	-53.3	0	0	0	113.3	V473 R474 H475 T508	D471-V473 VanDerWaalsContact C-N 3.28Å; D471-V473 PolarHBondContact O-N 2.89Å; D471-R474 PolarHBondContact O-N 3.28Å; D471-R474 IonicContact OD1-NH1 3.35Å; D471-H475 WeakPolarHBondContact O-CB 3.46Å; D471-H475 PolarHBondContact O-N 3.28Å; D471-T508 PolarHBondContact O-OG1 2.93Å
472	I	90	Very high	89.3	Confident	35 Å²	35	37.9 Å²	37.9	18%	0.179	20%	0.199	C	C	.	.	H	α-helix	trans	-66.2	-33.2	177.3	-56.3	161.8	0	0	0	111.2	W399 F402 A436 Y437 N470 G476	W399-I472 HydrophobicContact CH2-CG1 4.45Å; W399-I472 HydrophobicContact CH2-CG2 4.11Å; W399-I472 HydrophobicContact CZ3-CG2 4.3Å; F402-I472 HydrophobicContact CD2-CG2 4.44Å; A436-I472 HydrophobicContact CB-CB 4.25Å; A436-I472 HydrophobicContact CB-CD1 4.13Å; A436-I472 WeakPolarHBondContact O-CG2 3.45Å; Y437-I472 HydrophobicContact CD1-CD1 4.24Å; Y437-I472 HydrophobicContact CD1-CG2 3.8Å; Y437-I472 HydrophobicContact CD2-CD1 4.29Å; Y437-I472 HydrophobicContact CE1-CD1 3.81Å; Y437-I472 HydrophobicContact CE1-CG1 4.31Å; Y437-I472 HydrophobicContact CE1-CG2 4.22Å; Y437-I472 HydrophobicContact CE2-CD1 3.88Å; Y437-I472 HydrophobicContact CG-CD1 4.46Å; Y437-I472 HydrophobicContact CG-CG2 4.25Å; N470-I472 VanDerWaalsContact C-N 3.31Å; N470-I472 PolarHBondContact O-N 3.26Å; I472-G476 PolarHBondContact O-N 3.42Å; I472-G476 VanDerWaalsContact O-N 3.16Å
473	V	90.7	Very high	89.3	Confident	8 Å²	8	36.5 Å²	36.5	5%	0.048	19%	0.192	C	C	.	.	H	α-helix	trans	-75.8	-41.8	176.7	-177.4	0	0	0	0	109.7	A436 E439 L443 A468 N470 D471 H475 G476 G477	A436-V473 HydrophobicContact CB-CG2 4.31Å; E439-V473 HydrophobicContact CB-CG2 4.08Å; L443-V473 HydrophobicContact CD1-CG1 3.5Å; A468-V473 HydrophobicContact CB-CB 4.48Å; A468-V473 HydrophobicContact CB-CG1 4.13Å; N470-V473 HydrophobicContact CB-CB 4.17Å; N470-V473 HydrophobicContact CB-CG2 3.81Å; N470-V473 WeakPolarHBondContact O-CA 3.13Å; N470-V473 WeakPolarHBondContact O-CB 3.38Å; N470-V473 PolarHBondContact O-N 2.83Å; D471-V473 VanDerWaalsContact C-N 3.28Å; D471-V473 PolarHBondContact O-N 2.89Å; V473-H475 PolarHBondContact O-N 2.76Å; V473-G476 PolarHBondContact O-N 3.27Å; V473-G477 PolarHBondContact O-N 2.99Å
474	R	90.8	Very high	89.4	Confident	47 Å²	47	32.3 Å²	32.3	18%	0.177	17%	0.17	C	C	.	.	H	α-helix	trans	-60.1	-41.9	170.9	-66.8	-174.7	-171.5	138.8	10.5	112.4	A468 S469 N470 D471 S478 T508	A468-R474 HydrophobicContact CB-CG 3.91Å; A468-R474 VanDerWaalsContact O-CZ 3.29Å; A468-R474 PolarHBondContact O-NE 3.42Å; A468-R474 PolarHBondContact O-NH2 3.21Å; S469-R474 PolarHBondContact O-NH2 2.67Å; N470-R474 PolarHBondContact O-N 2.9Å; D471-R474 PolarHBondContact O-N 3.28Å; D471-R474 IonicContact OD1-NH1 3.35Å; R474-S478 WeakPolarHBondContact O-CB 3.31Å; R474-S478 PolarHBondContact O-N 2.8Å; R474-S478 PolarHBondContact O-OG 2.9Å; R474-T508 HydrophobicContact CB-CG2 3.74Å
475	H	91.3	Very high	89.4	Confident	1 Å²	1	30 Å²	30	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-59	-55.8	176.3	175.2	96.4	0	0	0	111.4	F402 D471 V473 G477 S478 L479 V507 A511 W733	F402-H475 AromaticContact CZ-CD2 3.84Å; D471-H475 WeakPolarHBondContact O-CB 3.46Å; D471-H475 PolarHBondContact O-N 3.28Å; V473-H475 PolarHBondContact O-N 2.76Å; H475-G477 PolarHBondContact O-N 2.97Å; H475-S478 PolarHBondContact O-N 2.94Å; H475-L479 PolarHBondContact O-N 2.88Å; H475-L479 VanDerWaalsContact O-N 3.14Å; H475-V507 HydrophobicContact CB-CG1 4.03Å; H475-V507 PolarHBondContact ND1-O 2.69Å; H475-A511 HydrophobicContact CB-CB 4.32Å; H475-A511 WeakPolarHBondContact O-CB 3.43Å; H475-W733 AromaticContact CE1-CE2 3.71Å; H475-W733 AromaticContact CE1-CZ2 3.67Å; H475-W733 AromaticContact CE1-NE1 3.38Å; H475-W733 PolarHBondContact CE1-NE1 3.45Å; H475-W733 AromaticContact NE2-CE2 3.56Å; H475-W733 AromaticContact NE2-CZ2 3.53Å; H475-W733 AromaticContact NE2-NE1 3.05Å; H475-W733 PolarHBondContact NE2-NE1 3.43Å
476	G	90	Very high	89.6	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-63.8	-42.2	-179.5	0	0	0	0	0	113.4	G440 Y444 I472 V473 G480	G440-G476 WeakPolarHBondContact O-CA 3.45Å; Y444-G476 WeakPolarHBondContact CA-O 3.49Å; Y444-G476 PolarHBondContact N-O 2.88Å; I472-G476 PolarHBondContact O-N 3.42Å; I472-G476 VanDerWaalsContact O-N 3.16Å; V473-G476 PolarHBondContact O-N 3.27Å; G476-G480 PolarHBondContact O-N 3.27Å
477	G	91.1	Very high	89.5	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-68.8	-32	175.8	0	0	0	0	0	114	L465 V473 H475 G480 L481	L465-G477 VanDerWaalsContact CD1-CA 3.44Å; V473-G477 PolarHBondContact O-N 2.99Å; H475-G477 PolarHBondContact O-N 2.97Å; G477-G480 PolarHBondContact O-N 2.79Å; G477-L481 WeakPolarHBondContact O-CB 3.44Å; G477-L481 PolarHBondContact O-N 2.83Å
478	S	93.8	Very high	89.4	Confident	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-69.3	-44.1	176.5	-61	0	0	0	0	110.6	R474 H475 G480 L481 G482 A515	R474-S478 WeakPolarHBondContact O-CB 3.31Å; R474-S478 PolarHBondContact O-N 2.8Å; R474-S478 PolarHBondContact O-OG 2.9Å; H475-S478 PolarHBondContact O-N 2.94Å; S478-G480 VanDerWaalsContact C-N 3.33Å; S478-G480 PolarHBondContact O-N 3.2Å; S478-L481 PolarHBondContact O-N 2.7Å; S478-G482 PolarHBondContact O-N 3.1Å; S478-A515 VanDerWaalsContact O-CB 3.22Å; S478-A515 WeakPolarHBondContact O-CB 3.2Å
479	L	92.7	Very high	89.5	Confident	1 Å²	1	19.7 Å²	19.7	1%	0.005	12%	0.116	C	C	.	.	H	α-helix	trans	-60.5	-43.1	171.9	-67	177.1	0	0	0	111.5	Y444 H475 L483 A511 L514 F739	Y444-L479 HydrophobicContact CD2-CB 3.46Å; Y444-L479 VanDerWaalsContact CD2-CB 3.46Å; Y444-L479 HydrophobicContact CD2-CD1 4.19Å; Y444-L479 HydrophobicContact CD2-CG 4.48Å; Y444-L479 HydrophobicContact CE2-CB 3.73Å; Y444-L479 HydrophobicContact CE2-CD1 4.15Å; Y444-L479 HydrophobicContact CG-CB 4.37Å; H475-L479 PolarHBondContact O-N 2.88Å; H475-L479 VanDerWaalsContact O-N 3.14Å; L479-L483 WeakPolarHBondContact O-CB 3.15Å; L479-L483 WeakPolarHBondContact O-CG 3.28Å; L479-L483 PolarHBondContact O-N 3.38Å; L479-A511 HydrophobicContact CD1-CB 4.48Å; L479-A511 HydrophobicContact CD2-CB 3.9Å; L479-A511 HydrophobicContact CG-CB 3.73Å; L479-L514 HydrophobicContact CD2-CB 4.22Å; L479-L514 HydrophobicContact CD2-CD1 4.04Å; L479-F739 HydrophobicContact CD2-CZ 4.36Å
480	G	91.9	Very high	90	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-64.9	-43.3	178.3	0	0	0	0	0	113.2	G447 G476 G477 S478 L483 A484	G447-G480 WeakPolarHBondContact CA-O 3.41Å; G476-G480 PolarHBondContact O-N 3.27Å; G477-G480 PolarHBondContact O-N 2.79Å; S478-G480 VanDerWaalsContact C-N 3.33Å; S478-G480 PolarHBondContact O-N 3.2Å; G480-L483 PolarHBondContact O-N 3.36Å; G480-A484 PolarHBondContact O-N 2.93Å
481	L	93.8	Very high	90.2	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-65.9	-42.8	177.5	-178.9	61	0	0	0	111.4	I458 L461 L462 L465 G477 S478 L483 A484 A485 V493	I458-L481 HydrophobicContact CB-CD1 4.42Å; I458-L481 HydrophobicContact CG2-CD1 3.74Å; L461-L481 HydrophobicContact CB-CB 4.3Å; L461-L481 HydrophobicContact CB-CD1 4.06Å; L462-L481 HydrophobicContact CB-CD1 4.44Å; L465-L481 HydrophobicContact CD2-CD2 3.77Å; G477-L481 WeakPolarHBondContact O-CB 3.44Å; G477-L481 PolarHBondContact O-N 2.83Å; S478-L481 PolarHBondContact O-N 2.7Å; L481-L483 VanDerWaalsContact C-N 3.31Å; L481-L483 PolarHBondContact O-N 2.57Å; L481-A484 PolarHBondContact O-N 2.95Å; L481-A485 VanDerWaalsContact O-CB 3.28Å; L481-A485 WeakPolarHBondContact O-CB 3.45Å; L481-A485 PolarHBondContact O-N 2.91Å; L481-V493 HydrophobicContact CD1-CG1 4.24Å; L481-V493 HydrophobicContact CD1-CG2 4.48Å; L481-V493 HydrophobicContact CD2-CG1 3.95Å; L481-V493 HydrophobicContact CG-CG1 3.81Å
482	G	92.1	Very high	90.4	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-63.7	-32.9	175.1	0	0	0	0	0	113.8	S478 M486 L518	S478-G482 PolarHBondContact O-N 3.1Å; G482-M486 WeakPolarHBondContact O-CA 3.43Å; G482-M486 PolarHBondContact O-N 3.41Å; G482-L518 WeakPolarHBondContact O-CB 3.37Å
483	L	91.5	Very high	90.5	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-71.7	-46.2	172.6	-80.7	169.6	0	0	0	112.8	Y444 G447 L448 A451 N452 L479 G480 L481 A485 M486 F739 L742	Y444-L483 HydrophobicContact CD2-CD1 4.15Å; Y444-L483 HydrophobicContact CE2-CD1 3.6Å; G447-L483 WeakPolarHBondContact O-CB 3.34Å; L448-L483 HydrophobicContact CD2-CD1 3.68Å; L448-L483 HydrophobicContact CG-CD1 3.88Å; A451-L483 WeakPolarHBondContact CA-O 3.36Å; A451-L483 HydrophobicContact CB-CB 4.38Å; A451-L483 HydrophobicContact CB-CD2 4.31Å; N452-L483 PolarHBondContact N-O 3.08Å; L479-L483 WeakPolarHBondContact O-CB 3.15Å; L479-L483 WeakPolarHBondContact O-CG 3.28Å; L479-L483 PolarHBondContact O-N 3.38Å; G480-L483 PolarHBondContact O-N 3.36Å; L481-L483 VanDerWaalsContact C-N 3.31Å; L481-L483 PolarHBondContact O-N 2.57Å; L483-A485 VanDerWaalsContact C-N 3.33Å; L483-A485 PolarHBondContact O-N 2.93Å; L483-M486 WeakPolarHBondContact O-CB 3.29Å; L483-M486 PolarHBondContact O-N 2.96Å; L483-F739 HydrophobicContact CD1-CE1 4.26Å; L483-F739 HydrophobicContact CD1-CZ 4.26Å; L483-F739 HydrophobicContact CD2-CD1 3.96Å; L483-F739 HydrophobicContact CD2-CE1 3.56Å; L483-F739 HydrophobicContact CD2-CZ 4.34Å; L483-F739 HydrophobicContact CG-CE1 3.96Å; L483-F739 HydrophobicContact CG-CZ 4.29Å; L483-L742 HydrophobicContact CD2-CD1 3.78Å; L483-L742 HydrophobicContact CD2-CD2 4.14Å; L483-L742 HydrophobicContact CD2-CG 4.41Å
484	A	90.9	Very high	90.6	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-64.2	-39.5	179.2	0	0	0	0	0	111.8	G454 I458 L461 G480 L481	G454-A484 WeakPolarHBondContact CA-O 3.44Å; G454-A484 PolarHBondContact N-O 2.8Å; I458-A484 HydrophobicContact CG1-CB 3.96Å; L461-A484 HydrophobicContact CD1-CB 4.26Å; G480-A484 PolarHBondContact O-N 2.93Å; L481-A484 PolarHBondContact O-N 2.95Å
485	A	90.3	Very high	90.7	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	15.3	179.6	0	0	0	0	0	114.1	I458 L481 L483 G487 T488 V493 V519	I458-A485 HydrophobicContact CD1-CB 3.78Å; I458-A485 HydrophobicContact CG1-CB 4.32Å; L481-A485 VanDerWaalsContact O-CB 3.28Å; L481-A485 WeakPolarHBondContact O-CB 3.45Å; L481-A485 PolarHBondContact O-N 2.91Å; L483-A485 VanDerWaalsContact C-N 3.33Å; L483-A485 PolarHBondContact O-N 2.93Å; A485-G487 PolarHBondContact O-N 2.85Å; A485-T488 WeakPolarHBondContact O-CB 3.03Å; A485-T488 WeakPolarHBondContact O-CG2 3.38Å; A485-T488 PolarHBondContact O-N 2.82Å; A485-T488 PolarHBondContact O-OG1 3.39Å; A485-V493 HydrophobicContact CB-CG1 4.27Å; A485-V519 HydrophobicContact CB-CG2 3.97Å
486	M	90.2	Very high	90.7	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	125.7	-173	-166.3	-176.8	89.8	0	0	112.2	N452 G482 L483 T488 L518 L521 M718 P719 V722 L742	N452-M486 WeakPolarHBondContact OD1-CE 3.35Å; G482-M486 WeakPolarHBondContact O-CA 3.43Å; G482-M486 PolarHBondContact O-N 3.41Å; L483-M486 WeakPolarHBondContact O-CB 3.29Å; L483-M486 PolarHBondContact O-N 2.96Å; M486-T488 PolarHBondContact O-N 3.02Å; M486-L518 CarbonylContact C-O 3.6Å; M486-L518 WeakPolarHBondContact CA-O 3.5Å; M486-L518 HydrophobicContact CG-CB 4.14Å; M486-L518 HydrophobicContact CG-CD2 4.03Å; M486-L518 WeakPolarHBondContact CG-O 3.18Å; M486-L518 HydrophobicContact SD-CD2 3.8Å; M486-L521 HydrophobicContact CE-CD2 3.73Å; M486-L521 HydrophobicContact CG-CD2 3.63Å; M486-L521 HydrophobicContact SD-CD2 3.89Å; M486-M718 HydrophobicContact CE-CE 4.28Å; M486-P719 HydrophobicContact CE-CB 4.06Å; M486-P719 HydrophobicContact CE-CG 4.03Å; M486-V722 HydrophobicContact SD-CG1 4.29Å; M486-L742 HydrophobicContact SD-CD1 4.36Å
487	G	86.1	Confident	90.9	Very high	4 Å²	4	20 Å²	20	4%	0.041	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.2	16.5	-179.9	0	0	0	0	0	115.2	Q259 A485 L518	Q259-G487 PolarHBondContact N-O 3.41Å; A485-G487 PolarHBondContact O-N 2.85Å; G487-L518 PolarHBondContact N-O 3.38Å
488	T	85.4	Confident	90.9	Very high	39 Å²	39	22 Å²	22	24%	0.239	12%	0.115	C	C	.	.			trans	-89.3	-19.6	178.7	64.3	0	0	0	0	114	A485 M486 R490	A485-T488 WeakPolarHBondContact O-CB 3.03Å; A485-T488 WeakPolarHBondContact O-CG2 3.38Å; A485-T488 PolarHBondContact O-N 2.82Å; A485-T488 PolarHBondContact O-OG1 3.39Å; M486-T488 PolarHBondContact O-N 3.02Å; T488-R490 PolarHBondContact O-N 2.84Å
489	A	86.3	Confident	90.8	Very high	36 Å²	36	25.9 Å²	25.9	30%	0.298	14%	0.138	S	C	.	.			trans	53.1	26.9	-174.3	0	0	0	0	0	115.6	Q491 V519 M520	A489-Q491 PolarHBondContact O-N 2.68Å; A489-V519 WeakPolarHBondContact CA-O 3.18Å; A489-V519 PolarHBondContact N-O 3.42Å; A489-M520 HydrophobicContact CB-SD 4.28Å
490	R	88.1	Confident	90.7	Very high	74 Å²	74	26.1 Å²	26.1	28%	0.279	14%	0.14	S	C	.	.			trans	-62.3	119	173.8	-82.5	-172.6	67.7	177.2	-4.4	111.5	D459 T488 D492 V493 Y494	D459-R490 IonicContact OD1-CZ 3.61Å; D459-R490 IonicContact OD1-NH1 3.94Å; D459-R490 PolarHBondContact OD1-NH1 2.91Å; D459-R490 IonicContact OD1-NH2 3.92Å; D459-R490 PolarHBondContact OD1-NH2 2.97Å; D459-R490 VanDerWaalsContact OD1-NH2 3.13Å; T488-R490 PolarHBondContact O-N 2.84Å; R490-D492 IonicContact CZ-OD2 2.76Å; R490-D492 VanDerWaalsContact CZ-OD2 3.25Å; R490-D492 IonicContact NE-OD2 3.59Å; R490-D492 PolarHBondContact NE-OD2 2.82Å; R490-D492 IonicContact NH2-OD2 2.7Å; R490-D492 PolarHBondContact NH2-OD2 2.96Å; R490-V493 HydrophobicContact CB-CB 4.24Å; R490-V493 HydrophobicContact CB-CG2 3.96Å; R490-V493 PolarHBondContact O-N 3.42Å; R490-Y494 PolarHBondContact O-N 3.15Å
491	Q	89.6	Confident	90.5	Very high	70 Å²	70	26.3 Å²	26.3	33%	0.327	14%	0.141	S	C	.	.	H	α-helix	trans	-67.7	-42.3	-179.1	-169.3	62.6	35	0	0	112.7	A489 V493 Y494 D495	A489-Q491 PolarHBondContact O-N 2.68Å; Q491-V493 PolarHBondContact O-N 3.4Å; Q491-Y494 VanDerWaalsContact NE2-CD1 3.3Å; Q491-Y494 CarbonylContact O-C 3.22Å; Q491-Y494 WeakPolarHBondContact O-CA 3.3Å; Q491-Y494 WeakPolarHBondContact O-CB 3.43Å; Q491-Y494 PolarHBondContact O-N 3.44Å; Q491-D495 PolarHBondContact NE2-OD1 2.97Å; Q491-D495 PolarHBondContact O-N 2.99Å
492	D	91.1	Very high	90.4	Very high	89 Å²	89	32 Å²	32	48%	0.476	16%	0.163	S	C	.	.	H	α-helix	trans	-58.7	-31.5	178.3	13.1	-72	0	0	0	113.5	R490 L496	R490-D492 IonicContact CZ-OD2 2.76Å; R490-D492 VanDerWaalsContact CZ-OD2 3.25Å; R490-D492 IonicContact NE-OD2 3.59Å; R490-D492 PolarHBondContact NE-OD2 2.82Å; R490-D492 IonicContact NH2-OD2 2.7Å; R490-D492 PolarHBondContact NH2-OD2 2.96Å; D492-L496 PolarHBondContact O-N 3.44Å
493	V	92	Very high	90.2	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-74	-42.5	173.1	178	0	0	0	0	110.7	I458 L462 L481 A485 R490 Q491 L496 L497 V519	I458-V493 HydrophobicContact CG2-CG2 3.88Å; L462-V493 HydrophobicContact CD1-CG2 4.37Å; L481-V493 HydrophobicContact CD1-CG1 4.24Å; L481-V493 HydrophobicContact CD1-CG2 4.48Å; L481-V493 HydrophobicContact CD2-CG1 3.95Å; L481-V493 HydrophobicContact CG-CG1 3.81Å; A485-V493 HydrophobicContact CB-CG1 4.27Å; R490-V493 HydrophobicContact CB-CB 4.24Å; R490-V493 HydrophobicContact CB-CG2 3.96Å; R490-V493 PolarHBondContact O-N 3.42Å; Q491-V493 PolarHBondContact O-N 3.4Å; V493-L496 PolarHBondContact O-N 3.33Å; V493-L497 HydrophobicContact CG1-CD1 3.89Å; V493-L497 HydrophobicContact CG1-CG 4.49Å; V493-L497 WeakPolarHBondContact O-CB 3.26Å; V493-L497 VanDerWaalsContact O-CG 3.29Å; V493-L497 WeakPolarHBondContact O-CG 3.42Å; V493-L497 PolarHBondContact O-N 2.89Å; V493-V519 HydrophobicContact CG1-CG2 3.75Å
494	Y	93.3	Very high	89.9	Confident	5 Å²	5	39 Å²	39	2%	0.02	20%	0.198	C	C	.	.	H	α-helix	trans	-60.3	-47.1	176.1	177.7	-87.1	0	0	0	111.9	R490 Q491 L496 L497 K498 L516 M520 A528 D531	R490-Y494 PolarHBondContact O-N 3.15Å; Q491-Y494 VanDerWaalsContact NE2-CD1 3.3Å; Q491-Y494 CarbonylContact O-C 3.22Å; Q491-Y494 WeakPolarHBondContact O-CA 3.3Å; Q491-Y494 WeakPolarHBondContact O-CB 3.43Å; Q491-Y494 PolarHBondContact O-N 3.44Å; Y494-L496 VanDerWaalsContact C-N 3.35Å; Y494-L496 PolarHBondContact O-N 3.13Å; Y494-L497 PolarHBondContact O-N 3.37Å; Y494-K498 HydrophobicContact CE1-CD 3.91Å; Y494-K498 VanDerWaalsContact O-CB 3.3Å; Y494-K498 WeakPolarHBondContact O-CB 3.36Å; Y494-K498 PolarHBondContact O-N 3.46Å; Y494-L516 HydrophobicContact CD2-CD2 3.38Å; Y494-L516 HydrophobicContact CE2-CD2 3.54Å; Y494-L516 HydrophobicContact CG-CD2 3.97Å; Y494-L516 WeakPolarHBondContact O-CD2 3.46Å; Y494-M520 HydrophobicContact CD1-CE 4.48Å; Y494-M520 HydrophobicContact CD2-CE 3.69Å; Y494-M520 HydrophobicContact CD2-CG 3.83Å; Y494-M520 HydrophobicContact CE2-CE 4.34Å; Y494-M520 HydrophobicContact CE2-CG 4.26Å; Y494-M520 HydrophobicContact CG-CE 3.8Å; Y494-A528 HydrophobicContact CE2-CB 3.65Å; Y494-A528 WeakPolarHBondContact OH-CA 3.29Å; Y494-D531 VanDerWaalsContact OH-CB 3.28Å; Y494-D531 WeakPolarHBondContact OH-CB 3.5Å; Y494-D531 PolarHBondContact OH-OD2 3.46Å
495	D	92.6	Very high	89.9	Confident	73 Å²	73	41 Å²	41	39%	0.39	21%	0.209	S	C	.	.	H	α-helix	trans	-66	-35.5	-177.8	-66.1	-23.6	0	0	0	112.3	Q491 T499	Q491-D495 PolarHBondContact NE2-OD1 2.97Å; Q491-D495 PolarHBondContact O-N 2.99Å; D495-T499 WeakPolarHBondContact O-CB 3.38Å; D495-T499 PolarHBondContact O-N 3.16Å; D495-T499 PolarHBondContact O-OG1 2.85Å
496	L	92.8	Very high	89.8	Confident	28 Å²	28	42.2 Å²	42.2	15%	0.147	22%	0.219	C	C	.	.	H	α-helix	trans	-68.7	-43.2	173.6	-178.6	61.9	0	0	0	111.8	L462 L465 D492 V493 Y494 T499 N500	L462-L496 HydrophobicContact CD2-CD2 3.89Å; L462-L496 HydrophobicContact CG-CD2 3.71Å; L465-L496 HydrophobicContact CB-CD2 4.23Å; L465-L496 HydrophobicContact CD2-CD2 4.48Å; D492-L496 PolarHBondContact O-N 3.44Å; V493-L496 PolarHBondContact O-N 3.33Å; Y494-L496 VanDerWaalsContact C-N 3.35Å; Y494-L496 PolarHBondContact O-N 3.13Å; L496-T499 WeakPolarHBondContact O-CB 3.46Å; L496-T499 PolarHBondContact O-N 3.24Å; L496-N500 PolarHBondContact O-N 3.2Å
497	L	92.5	Very high	89.7	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-66.9	-36.1	176.6	-70.3	170.6	0	0	0	111.9	L465 V493 Y494 T499 N500 L501 A515 L516 V519	L465-L497 HydrophobicContact CD2-CD2 4.25Å; V493-L497 HydrophobicContact CG1-CD1 3.89Å; V493-L497 HydrophobicContact CG1-CG 4.49Å; V493-L497 WeakPolarHBondContact O-CB 3.26Å; V493-L497 VanDerWaalsContact O-CG 3.29Å; V493-L497 WeakPolarHBondContact O-CG 3.42Å; V493-L497 PolarHBondContact O-N 2.89Å; Y494-L497 PolarHBondContact O-N 3.37Å; L497-T499 VanDerWaalsContact C-N 3.33Å; L497-N500 PolarHBondContact O-N 3.25Å; L497-L501 WeakPolarHBondContact O-CB 3.17Å; L497-L501 PolarHBondContact O-N 2.94Å; L497-A515 HydrophobicContact CD1-CB 3.61Å; L497-A515 HydrophobicContact CD2-CB 3.88Å; L497-A515 HydrophobicContact CG-CB 4.38Å; L497-L516 HydrophobicContact CB-CD2 3.56Å; L497-L516 HydrophobicContact CB-CG 3.85Å; L497-L516 HydrophobicContact CD1-CD2 4.47Å; L497-V519 HydrophobicContact CD1-CG2 4.18Å
498	K	92.5	Very high	89.9	Confident	44 Å²	44	43.5 Å²	43.5	19%	0.191	23%	0.225	C	C	.	.	H	α-helix	trans	-62.4	-39.5	170.7	-175.8	175.2	-177.3	174.8	0	111.5	Y494 N500 L501 Y502 D531	Y494-K498 HydrophobicContact CE1-CD 3.91Å; Y494-K498 VanDerWaalsContact O-CB 3.3Å; Y494-K498 WeakPolarHBondContact O-CB 3.36Å; Y494-K498 PolarHBondContact O-N 3.46Å; K498-N500 VanDerWaalsContact C-N 3.34Å; K498-N500 PolarHBondContact O-N 2.88Å; K498-L501 WeakPolarHBondContact O-CB 3.17Å; K498-L501 PolarHBondContact O-N 3.16Å; K498-Y502 HydrophobicContact CD-CE2 4.23Å; K498-Y502 WeakPolarHBondContact CE-OH 3.49Å; K498-Y502 HydrophobicContact CG-CD2 4.22Å; K498-Y502 HydrophobicContact CG-CE2 3.77Å; K498-Y502 PolarHBondContact O-N 3.11Å; K498-D531 WeakPolarHBondContact CE-OD1 3.4Å; K498-D531 WeakPolarHBondContact CE-OD2 3.1Å; K498-D531 IonicContact NZ-OD1 2.79Å; K498-D531 PolarHBondContact NZ-OD1 3.15Å; K498-D531 IonicContact NZ-OD2 3.45Å; K498-D531 PolarHBondContact NZ-OD2 2.8Å
499	T	91.9	Very high	90.1	Very high	80 Å²	80	41.6 Å²	41.6	49%	0.491	21%	0.214	S	C	.	.	H	α-helix	trans	-63.8	-37.7	172.9	-54.7	0	0	0	0	112.4	D495 L496 L497 Q503	D495-T499 WeakPolarHBondContact O-CB 3.38Å; D495-T499 PolarHBondContact O-N 3.16Å; D495-T499 PolarHBondContact O-OG1 2.85Å; L496-T499 WeakPolarHBondContact O-CB 3.46Å; L496-T499 PolarHBondContact O-N 3.24Å; L497-T499 VanDerWaalsContact C-N 3.33Å; T499-Q503 PolarHBondContact O-NE2 3.05Å
500	N	89.2	Confident	90.3	Very high	7 Å²	7	40.3 Å²	40.3	4%	0.037	20%	0.202	C	C	.	.	H	α-helix	trans	-71.9	-31.9	173.9	-75.9	-7.6	0	0	0	112.8	L496 L497 K498 Q503 T508 A512	L496-N500 PolarHBondContact O-N 3.2Å; L497-N500 PolarHBondContact O-N 3.25Å; K498-N500 VanDerWaalsContact C-N 3.34Å; K498-N500 PolarHBondContact O-N 2.88Å; N500-Q503 PolarHBondContact O-N 2.88Å; N500-Q503 PolarHBondContact OD1-NE2 3.12Å; N500-T508 HydrophobicContact CB-CG2 4.13Å; N500-A512 HydrophobicContact CB-CB 4.44Å
501	L	89.1	Confident	90.4	Very high	4 Å²	4	36.8 Å²	36.8	2%	0.021	19%	0.188	C	C	.	.	H	α-helix	trans	-65.8	-48.4	175.6	-177.4	68.1	0	0	0	111.1	L497 K498 Q503 D504 A512 L516 Y535 I544 L548	L497-L501 WeakPolarHBondContact O-CB 3.17Å; L497-L501 PolarHBondContact O-N 2.94Å; K498-L501 WeakPolarHBondContact O-CB 3.17Å; K498-L501 PolarHBondContact O-N 3.16Å; L501-Q503 PolarHBondContact O-N 2.71Å; L501-Q503 VanDerWaalsContact O-N 3.08Å; L501-D504 PolarHBondContact O-N 3.49Å; L501-A512 HydrophobicContact CB-CB 4.33Å; L501-L516 HydrophobicContact CB-CD1 4.49Å; L501-L516 HydrophobicContact CD2-CD1 3.84Å; L501-Y535 HydrophobicContact CD1-CD1 4Å; L501-Y535 HydrophobicContact CD1-CE1 3.84Å; L501-Y535 HydrophobicContact CD2-CD1 3.72Å; L501-Y535 HydrophobicContact CD2-CE1 4.21Å; L501-Y535 HydrophobicContact CD2-CG 4.48Å; L501-Y535 HydrophobicContact CG-CD1 3.63Å; L501-Y535 HydrophobicContact CG-CE1 3.58Å; L501-Y535 PolarHBondContact O-OH 3.16Å; L501-I544 HydrophobicContact CD1-CG2 3.5Å; L501-I544 VanDerWaalsContact CD1-CG2 3.5Å; L501-L548 HydrophobicContact CD1-CD1 4.33Å; L501-L548 HydrophobicContact CD1-CD2 4.15Å; L501-L548 HydrophobicContact CD1-CG 4.41Å; L501-L548 HydrophobicContact CD2-CD2 3.87Å
502	Y	90.1	Very high	90.6	Very high	119 Å²	119	33.5 Å²	33.5	47%	0.467	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	1.6	178.8	-65.2	-23.6	0	0	0	115.3	K498 D504 Y535	K498-Y502 HydrophobicContact CD-CE2 4.23Å; K498-Y502 WeakPolarHBondContact CE-OH 3.49Å; K498-Y502 HydrophobicContact CG-CD2 4.22Å; K498-Y502 HydrophobicContact CG-CE2 3.77Å; K498-Y502 PolarHBondContact O-N 3.11Å; Y502-D504 VanDerWaalsContact C-N 3.26Å; Y502-Y535 AromaticContact CD1-CD2 3.9Å; Y502-Y535 HydrophobicContact CD1-CD2 3.9Å; Y502-Y535 HydrophobicContact CD1-CE1 4.49Å; Y502-Y535 AromaticContact CD1-CE2 3.84Å; Y502-Y535 HydrophobicContact CD1-CE2 3.84Å; Y502-Y535 HydrophobicContact CD1-CG 4.26Å; Y502-Y535 AromaticContact CE1-CD2 3.82Å; Y502-Y535 HydrophobicContact CE1-CD2 3.82Å; Y502-Y535 HydrophobicContact CE1-CE2 4.24Å; Y502-Y535 HydrophobicContact CE1-CG 4.03Å
503	Q	88.7	Confident	90.7	Very high	84 Å²	84	29.2 Å²	29.2	39%	0.393	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-10.6	166.5	-71	163.5	36.1	0	0	112.5	T499 N500 L501 D505	T499-Q503 PolarHBondContact O-NE2 3.05Å; N500-Q503 PolarHBondContact O-N 2.88Å; N500-Q503 PolarHBondContact OD1-NE2 3.12Å; L501-Q503 PolarHBondContact O-N 2.71Å; L501-Q503 VanDerWaalsContact O-N 3.08Å; Q503-D505 PolarHBondContact O-N 2.9Å; Q503-D505 VanDerWaalsContact O-N 3.09Å
504	D	86.4	Confident	90.7	Very high	64 Å²	64	29.7 Å²	29.7	34%	0.342	15%	0.152	S	C	.	.			trans	54.5	21.8	177.9	-153.2	30.5	0	0	0	115	L501 Y502 A506 Y535 T539 H541 I544	L501-D504 PolarHBondContact O-N 3.49Å; Y502-D504 VanDerWaalsContact C-N 3.26Å; D504-A506 PolarHBondContact O-N 3.48Å; D504-Y535 WeakPolarHBondContact CB-OH 3.21Å; D504-Y535 PolarHBondContact OD1-OH 3.23Å; D504-T539 PolarHBondContact OD1-OG1 3.01Å; D504-H541 PolarHBondContact O-CD2 3.31Å; D504-H541 VanDerWaalsContact O-CD2 3.31Å; D504-H541 IonicContact OD1-CD2 3.2Å; D504-H541 IonicContact OD2-CD2 3.09Å; D504-I544 WeakPolarHBondContact OD1-CD1 3.29Å
505	D	89.4	Confident	90.8	Very high	42 Å²	42	29.4 Å²	29.4	23%	0.225	15%	0.151	C	C	.	.			trans	-72.1	122.8	167.6	165.8	40.8	0	0	0	110.6	Q503 V507 T508 G509	Q503-D505 PolarHBondContact O-N 2.9Å; Q503-D505 VanDerWaalsContact O-N 3.09Å; D505-V507 PolarHBondContact O-N 2.79Å; D505-V507 VanDerWaalsContact O-N 3.16Å; D505-V507 PolarHBondContact OD1-N 2.89Å; D505-V507 VanDerWaalsContact OD1-N 3.07Å; D505-V507 PolarHBondContact OD2-N 2.69Å; D505-T508 PolarHBondContact O-N 2.85Å; D505-T508 WeakPolarHBondContact OD2-CA 3.3Å; D505-T508 WeakPolarHBondContact OD2-CB 3.19Å; D505-T508 PolarHBondContact OD2-N 3.23Å; D505-T508 PolarHBondContact OD2-OG1 3.05Å; D505-G509 PolarHBondContact O-N 2.93Å
506	A	88.3	Confident	90.8	Very high	25 Å²	25	26 Å²	26	21%	0.207	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-23.5	-179.9	0	0	0	0	0	114.7	D504 H541 K543	D504-A506 PolarHBondContact O-N 3.48Å; A506-H541 HydrophobicContact CB-CB 4.2Å; A506-K543 HydrophobicContact CB-CD 4.28Å; A506-K543 WeakPolarHBondContact O-CB 3.39Å; A506-K543 WeakPolarHBondContact O-CD 3.35Å
507	V	89.1	Confident	90.7	Very high	30 Å²	30	24.7 Å²	24.7	18%	0.182	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-47.3	178.1	-178.6	0	0	0	0	111.6	W399 H475 D505	W399-V507 HydrophobicContact CH2-CG1 4.01Å; W399-V507 HydrophobicContact CZ2-CG1 4.29Å; H475-V507 HydrophobicContact CB-CG1 4.03Å; H475-V507 PolarHBondContact ND1-O 2.69Å; D505-V507 PolarHBondContact O-N 2.79Å; D505-V507 VanDerWaalsContact O-N 3.16Å; D505-V507 PolarHBondContact OD1-N 2.89Å; D505-V507 VanDerWaalsContact OD1-N 3.07Å; D505-V507 PolarHBondContact OD2-N 2.69Å
508	T	90.6	Very high	90.7	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-66.9	-41.7	178.6	-57	0	0	0	0	111.2	D471 R474 N500 D505 E510 A511 A512	D471-T508 PolarHBondContact O-OG1 2.93Å; R474-T508 HydrophobicContact CB-CG2 3.74Å; N500-T508 HydrophobicContact CB-CG2 4.13Å; D505-T508 PolarHBondContact O-N 2.85Å; D505-T508 WeakPolarHBondContact OD2-CA 3.3Å; D505-T508 WeakPolarHBondContact OD2-CB 3.19Å; D505-T508 PolarHBondContact OD2-N 3.23Å; D505-T508 PolarHBondContact OD2-OG1 3.05Å; T508-E510 VanDerWaalsContact C-N 3.34Å; T508-E510 PolarHBondContact O-N 3.19Å; T508-A511 WeakPolarHBondContact O-CB 3.15Å; T508-A511 PolarHBondContact O-N 2.93Å; T508-A511 VanDerWaalsContact O-N 3.14Å; T508-A512 WeakPolarHBondContact O-CB 3.31Å; T508-A512 PolarHBondContact O-N 2.98Å
509	G	88.6	Confident	90.7	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-64.5	-30.7	-179.3	0	0	0	0	0	114.5	D505 A512 G513	D505-G509 PolarHBondContact O-N 2.93Å; G509-A512 PolarHBondContact O-N 3.35Å; G509-G513 PolarHBondContact O-N 3.3Å
510	E	90.1	Very high	90.6	Very high	9 Å²	9	19 Å²	19	4%	0.042	10%	0.095	C	C	.	.	H	α-helix	trans	-65.3	-40.1	173.2	-171	158	-136.4	0	0	111.3	T508 L514 K543 R546	T508-E510 VanDerWaalsContact C-N 3.34Å; T508-E510 PolarHBondContact O-N 3.19Å; E510-L514 WeakPolarHBondContact O-CD1 3.4Å; E510-L514 WeakPolarHBondContact O-CG 3.07Å; E510-L514 PolarHBondContact O-N 3.02Å; E510-K543 HydrophobicContact CB-CB 4.09Å; E510-K543 WeakPolarHBondContact CB-O 3.14Å; E510-K543 HydrophobicContact CG-CB 4.4Å; E510-K543 WeakPolarHBondContact CG-O 3.36Å; E510-K543 WeakPolarHBondContact OE2-CD 3.33Å; E510-K543 IonicContact OE2-NZ 3.53Å; E510-R546 IonicContact OE1-CZ 2.79Å; E510-R546 VanDerWaalsContact OE1-CZ 3.29Å; E510-R546 IonicContact OE1-NE 2.75Å; E510-R546 PolarHBondContact OE1-NE 2.82Å; E510-R546 IonicContact OE1-NH2 2.71Å; E510-R546 PolarHBondContact OE1-NH2 3.14Å; E510-R546 IonicContact OE2-NH2 3.69Å
511	A	91.7	Very high	90.7	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-73.4	-40.4	174.3	0	0	0	0	0	112.9	H475 L479 T508 L514 A515	H475-A511 HydrophobicContact CB-CB 4.32Å; H475-A511 WeakPolarHBondContact O-CB 3.43Å; L479-A511 HydrophobicContact CD1-CB 4.48Å; L479-A511 HydrophobicContact CD2-CB 3.9Å; L479-A511 HydrophobicContact CG-CB 3.73Å; T508-A511 WeakPolarHBondContact O-CB 3.15Å; T508-A511 PolarHBondContact O-N 2.93Å; T508-A511 VanDerWaalsContact O-N 3.14Å; A511-L514 PolarHBondContact O-N 3.41Å; A511-A515 VanDerWaalsContact O-CB 3.24Å; A511-A515 WeakPolarHBondContact O-CB 3.26Å; A511-A515 PolarHBondContact O-N 3.42Å
512	A	92.9	Very high	90.5	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-64.5	-46	178.3	0	0	0	0	0	111.5	N500 L501 T508 G509 L514 A515 L516	N500-A512 HydrophobicContact CB-CB 4.44Å; L501-A512 HydrophobicContact CB-CB 4.33Å; T508-A512 WeakPolarHBondContact O-CB 3.31Å; T508-A512 PolarHBondContact O-N 2.98Å; G509-A512 PolarHBondContact O-N 3.35Å; A512-L514 VanDerWaalsContact C-N 3.35Å; A512-L514 PolarHBondContact O-N 2.85Å; A512-A515 PolarHBondContact O-N 3.01Å; A512-L516 WeakPolarHBondContact O-CB 3.38Å; A512-L516 WeakPolarHBondContact O-CG 3.43Å; A512-L516 PolarHBondContact O-N 3.47Å
513	G	92.6	Very high	90.1	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-59.7	-41.3	176.3	0	0	0	0	0	113.3	G509 G517 G547	G509-G513 PolarHBondContact O-N 3.3Å; G513-G517 PolarHBondContact O-N 3.38Å; G513-G547 CarbonylContact C-O 3.59Å
514	L	93.1	Very high	89.9	Confident	9 Å²	9	14.6 Å²	14.6	5%	0.047	8%	0.082	C	C	.	.	H	α-helix	trans	-63.9	-47.5	172	-74.4	169.3	0	0	0	111.8	L479 E510 A511 A512 L516 G517 L518 V550 L736	L479-L514 HydrophobicContact CD2-CB 4.22Å; L479-L514 HydrophobicContact CD2-CD1 4.04Å; E510-L514 WeakPolarHBondContact O-CD1 3.4Å; E510-L514 WeakPolarHBondContact O-CG 3.07Å; E510-L514 PolarHBondContact O-N 3.02Å; A511-L514 PolarHBondContact O-N 3.41Å; A512-L514 VanDerWaalsContact C-N 3.35Å; A512-L514 PolarHBondContact O-N 2.85Å; L514-L516 PolarHBondContact O-N 3.31Å; L514-G517 PolarHBondContact O-N 3.05Å; L514-L518 WeakPolarHBondContact O-CG 2.98Å; L514-L518 PolarHBondContact O-N 3.34Å; L514-V550 HydrophobicContact CD2-CB 3.67Å; L514-V550 HydrophobicContact CD2-CG1 3.58Å; L514-V550 HydrophobicContact CD2-CG2 4.4Å; L514-L736 HydrophobicContact CD1-CD2 3.91Å
515	A	94.1	Very high	90	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-64.3	-39.5	-177.7	0	0	0	0	0	113	S478 L497 A511 A512 G517 L518 V519	S478-A515 VanDerWaalsContact O-CB 3.22Å; S478-A515 WeakPolarHBondContact O-CB 3.2Å; L497-A515 HydrophobicContact CD1-CB 3.61Å; L497-A515 HydrophobicContact CD2-CB 3.88Å; L497-A515 HydrophobicContact CG-CB 4.38Å; A511-A515 VanDerWaalsContact O-CB 3.24Å; A511-A515 WeakPolarHBondContact O-CB 3.26Å; A511-A515 PolarHBondContact O-N 3.42Å; A512-A515 PolarHBondContact O-N 3.01Å; A515-G517 VanDerWaalsContact C-N 3.34Å; A515-G517 PolarHBondContact O-N 3.45Å; A515-L518 PolarHBondContact O-N 3.16Å; A515-V519 VanDerWaalsContact O-CG2 3.3Å; A515-V519 WeakPolarHBondContact O-CG2 3.29Å; A515-V519 PolarHBondContact O-N 3.41Å
516	L	93.4	Very high	89.9	Confident	1 Å²	1	14.9 Å²	14.9	1%	0.005	9%	0.093	C	C	.	.	H	α-helix	trans	-57.2	-46.5	174.4	-72	164.1	0	0	0	111.3	Y494 L497 L501 A512 L514 V519 M520 M532	Y494-L516 HydrophobicContact CD2-CD2 3.38Å; Y494-L516 HydrophobicContact CE2-CD2 3.54Å; Y494-L516 HydrophobicContact CG-CD2 3.97Å; Y494-L516 WeakPolarHBondContact O-CD2 3.46Å; L497-L516 HydrophobicContact CB-CD2 3.56Å; L497-L516 HydrophobicContact CB-CG 3.85Å; L497-L516 HydrophobicContact CD1-CD2 4.47Å; L501-L516 HydrophobicContact CB-CD1 4.49Å; L501-L516 HydrophobicContact CD2-CD1 3.84Å; A512-L516 WeakPolarHBondContact O-CB 3.38Å; A512-L516 WeakPolarHBondContact O-CG 3.43Å; A512-L516 PolarHBondContact O-N 3.47Å; L514-L516 PolarHBondContact O-N 3.31Å; L516-V519 PolarHBondContact O-N 2.87Å; L516-M520 WeakPolarHBondContact O-CB 3.33Å; L516-M520 PolarHBondContact O-N 3.19Å; L516-M532 HydrophobicContact CB-SD 3.88Å
517	G	91.4	Very high	89.9	Confident	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-70.3	-28	176.9	0	0	0	0	0	114.7	G513 L514 A515 L521 G551 L554	G513-G517 PolarHBondContact O-N 3.38Å; L514-G517 PolarHBondContact O-N 3.05Å; A515-G517 VanDerWaalsContact C-N 3.34Å; A515-G517 PolarHBondContact O-N 3.45Å; G517-L521 VanDerWaalsContact O-CA 3.31Å; G517-L521 WeakPolarHBondContact O-CA 3.32Å; G517-L521 PolarHBondContact O-N 2.94Å; G517-G551 WeakPolarHBondContact CA-O 3.18Å; G517-L554 WeakPolarHBondContact O-CB 3.47Å
518	L	92.2	Very high	89.9	Confident	1 Å²	1	18.3 Å²	18.3	1%	0.005	10%	0.103	C	C	.	.	H	α-helix	trans	-71.4	-42.2	172.6	-70.1	166.9	0	0	0	111.6	G482 M486 G487 L514 A515 L521 L554 V722 F739	G482-L518 WeakPolarHBondContact O-CB 3.37Å; M486-L518 CarbonylContact C-O 3.6Å; M486-L518 WeakPolarHBondContact CA-O 3.5Å; M486-L518 HydrophobicContact CG-CB 4.14Å; M486-L518 HydrophobicContact CG-CD2 4.03Å; M486-L518 WeakPolarHBondContact CG-O 3.18Å; M486-L518 HydrophobicContact SD-CD2 3.8Å; G487-L518 PolarHBondContact N-O 3.38Å; L514-L518 WeakPolarHBondContact O-CG 2.98Å; L514-L518 PolarHBondContact O-N 3.34Å; A515-L518 PolarHBondContact O-N 3.16Å; L518-L521 WeakPolarHBondContact O-CB 3.43Å; L518-L521 PolarHBondContact O-N 3.27Å; L518-L554 HydrophobicContact CD2-CD1 4.01Å; L518-L554 HydrophobicContact CG-CD1 4.17Å; L518-V722 HydrophobicContact CD2-CG1 3.61Å; L518-F739 HydrophobicContact CD1-CE1 3.88Å; L518-F739 HydrophobicContact CD1-CZ 4.3Å
519	V	92.3	Very high	89.8	Confident	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-66.5	-43.4	177.6	173.7	0	0	0	0	111.3	A485 A489 V493 L497 A515 L516 L521	A485-V519 HydrophobicContact CB-CG2 3.97Å; A489-V519 WeakPolarHBondContact CA-O 3.18Å; A489-V519 PolarHBondContact N-O 3.42Å; V493-V519 HydrophobicContact CG1-CG2 3.75Å; L497-V519 HydrophobicContact CD1-CG2 4.18Å; A515-V519 VanDerWaalsContact O-CG2 3.3Å; A515-V519 WeakPolarHBondContact O-CG2 3.29Å; A515-V519 PolarHBondContact O-N 3.41Å; L516-V519 PolarHBondContact O-N 2.87Å; V519-L521 VanDerWaalsContact C-N 3.32Å
520	M	90.5	Very high	89.9	Confident	3 Å²	3	26.5 Å²	26.5	2%	0.015	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	14.6	179.3	-68.9	-68.6	-172.5	0	0	113.8	A489 Y494 L516 G522 S523 N525 A528 V555	A489-M520 HydrophobicContact CB-SD 4.28Å; Y494-M520 HydrophobicContact CD1-CE 4.48Å; Y494-M520 HydrophobicContact CD2-CE 3.69Å; Y494-M520 HydrophobicContact CD2-CG 3.83Å; Y494-M520 HydrophobicContact CE2-CE 4.34Å; Y494-M520 HydrophobicContact CE2-CG 4.26Å; Y494-M520 HydrophobicContact CG-CE 3.8Å; L516-M520 WeakPolarHBondContact O-CB 3.33Å; L516-M520 PolarHBondContact O-N 3.19Å; M520-G522 PolarHBondContact O-N 3.48Å; M520-G522 VanDerWaalsContact O-N 3.17Å; M520-S523 WeakPolarHBondContact O-CB 3.32Å; M520-S523 PolarHBondContact O-N 3.27Å; M520-S523 PolarHBondContact O-OG 3.18Å; M520-S523 VanDerWaalsContact O-OG 3.07Å; M520-N525 HydrophobicContact SD-CB 4.17Å; M520-A528 HydrophobicContact CG-CB 4.15Å; M520-V555 HydrophobicContact CB-CG2 3.75Å
521	L	90.4	Very high	90	Very high	6 Å²	6	28 Å²	28	3%	0.031	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	117.7	-178.5	172.2	60.1	0	0	0	111.9	M486 G517 L518 V519 S523 L554 Y557 M718 V722	M486-L521 HydrophobicContact CE-CD2 3.73Å; M486-L521 HydrophobicContact CG-CD2 3.63Å; M486-L521 HydrophobicContact SD-CD2 3.89Å; G517-L521 VanDerWaalsContact O-CA 3.31Å; G517-L521 WeakPolarHBondContact O-CA 3.32Å; G517-L521 PolarHBondContact O-N 2.94Å; L518-L521 WeakPolarHBondContact O-CB 3.43Å; L518-L521 PolarHBondContact O-N 3.27Å; V519-L521 VanDerWaalsContact C-N 3.32Å; L521-S523 PolarHBondContact O-N 2.99Å; L521-S523 VanDerWaalsContact O-N 3.17Å; L521-L554 HydrophobicContact CD1-CB 4.14Å; L521-L554 HydrophobicContact CD1-CD2 4.21Å; L521-L554 WeakPolarHBondContact CD1-O 3.37Å; L521-Y557 HydrophobicContact CD1-CG 4.45Å; L521-M718 HydrophobicContact CD1-CG 4.38Å; L521-M718 HydrophobicContact CD1-SD 4.34Å; L521-M718 HydrophobicContact CD2-CE 3.68Å; L521-M718 HydrophobicContact CD2-CG 3.82Å; L521-M718 HydrophobicContact CD2-SD 3.61Å; L521-M718 HydrophobicContact CG-CE 4.28Å; L521-M718 HydrophobicContact CG-CG 4.2Å; L521-M718 HydrophobicContact CG-SD 3.67Å; L521-V722 HydrophobicContact CD1-CG2 3.72Å; L521-V722 HydrophobicContact CD2-CG2 3.91Å; L521-V722 HydrophobicContact CG-CG2 4.5Å
522	G	84.2	Confident	89.9	Confident	6 Å²	6	28 Å²	28	6%	0.062	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.1	-2	-179	0	0	0	0	0	116.6	M520 K524 L554 V555 R559	M520-G522 PolarHBondContact O-N 3.48Å; M520-G522 VanDerWaalsContact O-N 3.17Å; G522-K524 VanDerWaalsContact C-N 3.32Å; G522-K524 PolarHBondContact O-N 3.47Å; G522-L554 PolarHBondContact N-O 3.06Å; G522-L554 VanDerWaalsContact N-O 3.13Å; G522-V555 CarbonylContact C-O 3.59Å; G522-V555 VanDerWaalsContact CA-O 3.3Å; G522-V555 WeakPolarHBondContact CA-O 3.34Å; G522-V555 PolarHBondContact N-O 2.81Å; G522-R559 PolarHBondContact O-NE 3.43Å; G522-R559 PolarHBondContact O-NH2 2.78Å
523	S	82.3	Confident	89.8	Confident	30 Å²	30	29.1 Å²	29.1	21%	0.21	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-24.4	-172.6	79.1	0	0	0	0	113.8	M520 L521 N525	M520-S523 WeakPolarHBondContact O-CB 3.32Å; M520-S523 PolarHBondContact O-N 3.27Å; M520-S523 PolarHBondContact O-OG 3.18Å; M520-S523 VanDerWaalsContact O-OG 3.07Å; L521-S523 PolarHBondContact O-N 2.99Å; L521-S523 VanDerWaalsContact O-N 3.17Å; S523-N525 PolarHBondContact O-N 2.7Å; S523-N525 PolarHBondContact OG-N 3.07Å
524	K	84.6	Confident	89.7	Confident	81 Å²	81	30.6 Å²	30.6	35%	0.352	17%	0.172	S	C	.	.			trans	53	31.9	-174.2	-158.4	-148.2	177.4	177.8	0	113.7	G522 A526 V555 M556 R559 E562	G522-K524 VanDerWaalsContact C-N 3.32Å; G522-K524 PolarHBondContact O-N 3.47Å; K524-A526 PolarHBondContact O-N 3.1Å; K524-A526 VanDerWaalsContact O-N 3.12Å; K524-V555 PolarHBondContact N-O 3.49Å; K524-M556 HydrophobicContact CG-SD 4.06Å; K524-R559 HydrophobicContact CB-CG 4.24Å; K524-R559 HydrophobicContact CG-CG 4.37Å; K524-E562 WeakPolarHBondContact CD-OE2 3.5Å; K524-E562 WeakPolarHBondContact CE-OE2 3.24Å; K524-E562 IonicContact NZ-OE2 3.46Å; K524-E562 PolarHBondContact NZ-OE2 3.4Å
525	N	87.8	Confident	89.6	Confident	43 Å²	43	31.3 Å²	31.3	23%	0.23	17%	0.174	C	C	.	.			trans	-64.1	114.1	173.3	-176.8	-4.9	0	0	0	110.2	M520 S523 Q527 A528 I529	M520-N525 HydrophobicContact SD-CB 4.17Å; S523-N525 PolarHBondContact O-N 2.7Å; S523-N525 PolarHBondContact OG-N 3.07Å; N525-Q527 VanDerWaalsContact C-N 3.31Å; N525-Q527 PolarHBondContact O-N 3.12Å; N525-Q527 PolarHBondContact OD1-N 3.14Å; N525-Q527 VanDerWaalsContact OD1-N 3.08Å; N525-A528 HydrophobicContact CB-CB 4.11Å; N525-A528 PolarHBondContact O-N 3.13Å; N525-I529 WeakPolarHBondContact O-CD1 3.37Å; N525-I529 WeakPolarHBondContact O-CG1 3.23Å; N525-I529 PolarHBondContact O-N 2.71Å
526	A	87.5	Confident	89.5	Confident	69 Å²	69	31.5 Å²	31.5	57%	0.57	18%	0.175	S	C	*	.	H	α-helix	trans	-59	-39.8	-178.2	0	0	0	0	0	112.8	K524 A528 I529 E530	K524-A526 PolarHBondContact O-N 3.1Å; K524-A526 VanDerWaalsContact O-N 3.12Å; A526-A528 VanDerWaalsContact C-N 3.31Å; A526-A528 PolarHBondContact O-N 3.19Å; A526-I529 PolarHBondContact O-N 3.21Å; A526-E530 WeakPolarHBondContact O-CB 3.49Å; A526-E530 PolarHBondContact O-N 3.28Å
527	Q	88.4	Confident	89.2	Confident	127 Å²	127	36.3 Å²	36.3	59%	0.593	20%	0.198	S	C	*	.	H	α-helix	trans	-61.5	-41.1	178.3	-65.4	175.4	-26.7	0	0	111.3	N525 I529 E530 D531	N525-Q527 VanDerWaalsContact C-N 3.31Å; N525-Q527 PolarHBondContact O-N 3.12Å; N525-Q527 PolarHBondContact OD1-N 3.14Å; N525-Q527 VanDerWaalsContact OD1-N 3.08Å; Q527-I529 VanDerWaalsContact C-N 3.33Å; Q527-I529 PolarHBondContact O-N 3.05Å; Q527-E530 PolarHBondContact O-N 3.18Å; Q527-D531 VanDerWaalsContact O-CB 3.29Å; Q527-D531 WeakPolarHBondContact O-CB 3.46Å; Q527-D531 VanDerWaalsContact O-CG 3.24Å; Q527-D531 PolarHBondContact O-N 3Å
528	A	89.2	Confident	89.1	Confident	0 Å²	0	43 Å²	43	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-68.1	-33.3	179.1	0	0	0	0	0	112.7	Y494 M520 N525 A526 M532	Y494-A528 HydrophobicContact CE2-CB 3.65Å; Y494-A528 WeakPolarHBondContact OH-CA 3.29Å; M520-A528 HydrophobicContact CG-CB 4.15Å; N525-A528 HydrophobicContact CB-CB 4.11Å; N525-A528 PolarHBondContact O-N 3.13Å; A526-A528 VanDerWaalsContact C-N 3.31Å; A526-A528 PolarHBondContact O-N 3.19Å; A528-M532 HydrophobicContact CB-CE 4.16Å; A528-M532 WeakPolarHBondContact O-CB 3.47Å; A528-M532 WeakPolarHBondContact O-CE 3.49Å; A528-M532 VanDerWaalsContact O-CG 3.31Å; A528-M532 WeakPolarHBondContact O-CG 3.43Å; A528-M532 PolarHBondContact O-N 3.41Å
529	I	89.6	Confident	89	Confident	21 Å²	21	43.5 Å²	43.5	11%	0.108	23%	0.232	C	C	.	.	H	α-helix	trans	-70.9	-45.3	174.9	-64.6	154.9	0	0	0	110.2	N525 A526 Q527 M532 V533 V555 M556 L566	N525-I529 WeakPolarHBondContact O-CD1 3.37Å; N525-I529 WeakPolarHBondContact O-CG1 3.23Å; N525-I529 PolarHBondContact O-N 2.71Å; A526-I529 PolarHBondContact O-N 3.21Å; Q527-I529 VanDerWaalsContact C-N 3.33Å; Q527-I529 PolarHBondContact O-N 3.05Å; I529-M532 PolarHBondContact O-N 3.19Å; I529-V533 HydrophobicContact CG2-CG2 4.26Å; I529-V533 WeakPolarHBondContact O-CB 3.43Å; I529-V533 WeakPolarHBondContact O-CG2 3.28Å; I529-V533 PolarHBondContact O-N 3.33Å; I529-V555 HydrophobicContact CD1-CG1 4.1Å; I529-V555 HydrophobicContact CG1-CG1 3.93Å; I529-M556 HydrophobicContact CD1-CE 3.55Å; I529-M556 HydrophobicContact CD1-SD 4.41Å; I529-M556 HydrophobicContact CG1-CE 4.43Å; I529-L566 HydrophobicContact CG2-CD1 4.1Å; I529-L566 HydrophobicContact CG2-CD2 3.84Å
530	E	90.2	Very high	88.7	Confident	151 Å²	151	51.8 Å²	51.8	71%	0.706	27%	0.271	S	S	*	.	H	α-helix	trans	-63.8	-47.9	179.4	-171.5	170.2	-166	0	0	111.8	A526 Q527 M532 G534	A526-E530 WeakPolarHBondContact O-CB 3.49Å; A526-E530 PolarHBondContact O-N 3.28Å; Q527-E530 PolarHBondContact O-N 3.18Å; E530-M532 PolarHBondContact O-N 3.39Å; E530-G534 PolarHBondContact O-N 3.04Å
531	D	90.9	Very high	88.7	Confident	40 Å²	40	55.4 Å²	55.4	21%	0.214	29%	0.288	C	S	.	.	H	α-helix	trans	-52.6	-52.5	172.8	-81.5	-30.6	0	0	0	112.2	Y494 K498 Q527 Y535	Y494-D531 VanDerWaalsContact OH-CB 3.28Å; Y494-D531 WeakPolarHBondContact OH-CB 3.5Å; Y494-D531 PolarHBondContact OH-OD2 3.46Å; K498-D531 WeakPolarHBondContact CE-OD1 3.4Å; K498-D531 WeakPolarHBondContact CE-OD2 3.1Å; K498-D531 IonicContact NZ-OD1 2.79Å; K498-D531 PolarHBondContact NZ-OD1 3.15Å; K498-D531 IonicContact NZ-OD2 3.45Å; K498-D531 PolarHBondContact NZ-OD2 2.8Å; Q527-D531 VanDerWaalsContact O-CB 3.29Å; Q527-D531 WeakPolarHBondContact O-CB 3.46Å; Q527-D531 VanDerWaalsContact O-CG 3.24Å; Q527-D531 PolarHBondContact O-N 3Å; D531-Y535 WeakPolarHBondContact O-CB 3.32Å; D531-Y535 PolarHBondContact O-N 3.34Å; D531-Y535 VanDerWaalsContact O-N 3.12Å
532	M	90.2	Very high	88.6	Confident	1 Å²	1	59.8 Å²	59.8	1%	0.005	31%	0.308	C	S	.	.	H	α-helix	trans	-73.1	-36.9	-174.1	-74.5	-169.9	-85.1	0	0	112.7	L516 A528 I529 E530 A536 L548 I552 V555	L516-M532 HydrophobicContact CB-SD 3.88Å; A528-M532 HydrophobicContact CB-CE 4.16Å; A528-M532 WeakPolarHBondContact O-CB 3.47Å; A528-M532 WeakPolarHBondContact O-CE 3.49Å; A528-M532 VanDerWaalsContact O-CG 3.31Å; A528-M532 WeakPolarHBondContact O-CG 3.43Å; A528-M532 PolarHBondContact O-N 3.41Å; I529-M532 PolarHBondContact O-N 3.19Å; E530-M532 PolarHBondContact O-N 3.39Å; M532-A536 WeakPolarHBondContact O-CB 3.47Å; M532-A536 PolarHBondContact O-N 3.02Å; M532-L548 HydrophobicContact CB-CD2 4.07Å; M532-L548 HydrophobicContact CG-CD2 3.79Å; M532-L548 HydrophobicContact SD-CD2 4.17Å; M532-I552 HydrophobicContact CB-CD1 4.15Å; M532-I552 HydrophobicContact CB-CG1 3.76Å; M532-V555 HydrophobicContact CE-CG2 3.8Å
533	V	90.9	Very high	88.9	Confident	22 Å²	22	62 Å²	62	13%	0.133	32%	0.316	C	S	.	.	H	α-helix	trans	-70.8	-43.5	177	172.2	0	0	0	0	110.9	I529 A536 Q537 I552 L566	I529-V533 HydrophobicContact CG2-CG2 4.26Å; I529-V533 WeakPolarHBondContact O-CB 3.43Å; I529-V533 WeakPolarHBondContact O-CG2 3.28Å; I529-V533 PolarHBondContact O-N 3.33Å; V533-A536 PolarHBondContact O-N 3.22Å; V533-Q537 PolarHBondContact O-N 3.18Å; V533-Q537 VanDerWaalsContact O-N 3.15Å; V533-I552 HydrophobicContact CG2-CD1 3.83Å; V533-I552 HydrophobicContact CG2-CG1 4.33Å; V533-I552 HydrophobicContact CG2-CG2 4.41Å; V533-L566 HydrophobicContact CG2-CD1 3.98Å
534	G	90.1	Very high	89.4	Confident	31 Å²	31	60.6 Å²	60.6	32%	0.32	31%	0.306	S	S	.	.	H	α-helix	trans	-59.1	-54.7	177.2	0	0	0	0	0	111.7	E530 A536 Q537 E538	E530-G534 PolarHBondContact O-N 3.04Å; G534-A536 VanDerWaalsContact C-N 3.29Å; G534-A536 PolarHBondContact O-N 3.21Å; G534-Q537 PolarHBondContact O-N 3.47Å; G534-E538 PolarHBondContact O-N 3.38Å
535	Y	92.4	Very high	89.7	Confident	25 Å²	25	57.6 Å²	57.6	10%	0.098	29%	0.294	C	S	.	.	H	α-helix	trans	-66.7	-29.1	-179.3	-166.8	-110.6	0	0	0	113.2	L501 Y502 D504 D531 Q537 E538 T539 I544 L548	L501-Y535 HydrophobicContact CD1-CD1 4Å; L501-Y535 HydrophobicContact CD1-CE1 3.84Å; L501-Y535 HydrophobicContact CD2-CD1 3.72Å; L501-Y535 HydrophobicContact CD2-CE1 4.21Å; L501-Y535 HydrophobicContact CD2-CG 4.48Å; L501-Y535 HydrophobicContact CG-CD1 3.63Å; L501-Y535 HydrophobicContact CG-CE1 3.58Å; L501-Y535 PolarHBondContact O-OH 3.16Å; Y502-Y535 AromaticContact CD1-CD2 3.9Å; Y502-Y535 HydrophobicContact CD1-CD2 3.9Å; Y502-Y535 HydrophobicContact CD1-CE1 4.49Å; Y502-Y535 AromaticContact CD1-CE2 3.84Å; Y502-Y535 HydrophobicContact CD1-CE2 3.84Å; Y502-Y535 HydrophobicContact CD1-CG 4.26Å; Y502-Y535 AromaticContact CE1-CD2 3.82Å; Y502-Y535 HydrophobicContact CE1-CD2 3.82Å; Y502-Y535 HydrophobicContact CE1-CE2 4.24Å; Y502-Y535 HydrophobicContact CE1-CG 4.03Å; D504-Y535 WeakPolarHBondContact CB-OH 3.21Å; D504-Y535 PolarHBondContact OD1-OH 3.23Å; D531-Y535 WeakPolarHBondContact O-CB 3.32Å; D531-Y535 PolarHBondContact O-N 3.34Å; D531-Y535 VanDerWaalsContact O-N 3.12Å; Y535-Q537 VanDerWaalsContact C-N 3.29Å; Y535-Q537 PolarHBondContact O-N 3.05Å; Y535-E538 PolarHBondContact O-N 3.49Å; Y535-T539 WeakPolarHBondContact O-CG2 3.38Å; Y535-T539 PolarHBondContact O-N 3.3Å; Y535-I544 HydrophobicContact CE1-CG2 4.21Å; Y535-L548 HydrophobicContact CD1-CD1 4.04Å
536	A	90.3	Very high	89.8	Confident	3 Å²	3	56.6 Å²	56.6	3%	0.025	29%	0.287	C	S	.	.	H	α-helix	trans	-67.7	-24.9	172.1	0	0	0	0	0	113.6	M532 V533 G534 L545 L548 L578	M532-A536 WeakPolarHBondContact O-CB 3.47Å; M532-A536 PolarHBondContact O-N 3.02Å; V533-A536 PolarHBondContact O-N 3.22Å; G534-A536 VanDerWaalsContact C-N 3.29Å; G534-A536 PolarHBondContact O-N 3.21Å; A536-L545 HydrophobicContact CB-CD1 3.77Å; A536-L545 WeakPolarHBondContact O-CD1 3.4Å; A536-L548 HydrophobicContact CB-CB 4.19Å; A536-L548 HydrophobicContact CB-CD1 3.86Å; A536-L578 HydrophobicContact CB-CD2 4.06Å
537	Q	88.3	Confident	89.9	Confident	103 Å²	103	53.4 Å²	53.4	48%	0.481	26%	0.26	S	S	.	.	H	α-helix	trans	-84.5	-17.5	172.9	-71	-179.3	-11.6	0	0	112.8	V533 G534 Y535 D573 L578	V533-Q537 PolarHBondContact O-N 3.18Å; V533-Q537 VanDerWaalsContact O-N 3.15Å; G534-Q537 PolarHBondContact O-N 3.47Å; Y535-Q537 VanDerWaalsContact C-N 3.29Å; Y535-Q537 PolarHBondContact O-N 3.05Å; Q537-D573 PolarHBondContact NE2-OD2 2.79Å; Q537-D573 VanDerWaalsContact NE2-OD2 3.1Å; Q537-L578 HydrophobicContact CG-CD1 3.81Å
538	E	89.2	Confident	90.1	Very high	140 Å²	140	47.3 Å²	47.3	65%	0.654	23%	0.232	S	C	*	.	H	α-helix	trans	-90.4	-47.7	178.5	-67.6	-179.5	158.4	0	0	113.4	G534 Y535 Q540	G534-E538 PolarHBondContact O-N 3.38Å; Y535-E538 PolarHBondContact O-N 3.49Å; E538-Q540 PolarHBondContact O-NE2 2.93Å
539	T	88.8	Confident	90.3	Very high	11 Å²	11	47.4 Å²	47.4	7%	0.067	23%	0.233	C	C	.	.			trans	-66.6	137.4	-172.2	-172.6	0	0	0	0	112.8	D504 Y535 H541 I544	D504-T539 PolarHBondContact OD1-OG1 3.01Å; Y535-T539 WeakPolarHBondContact O-CG2 3.38Å; Y535-T539 PolarHBondContact O-N 3.3Å; T539-H541 PolarHBondContact OG1-N 2.85Å; T539-I544 HydrophobicContact CG2-CB 4.16Å; T539-I544 HydrophobicContact CG2-CG2 4.18Å
540	Q	86.5	Confident	90.4	Very high	175 Å²	175	46.8 Å²	46.8	82%	0.818	23%	0.23	S	C	*	.			trans	-88.7	-5.4	174.4	-59.1	-59.3	-70.1	0	0	112.5	E538 E542	E538-Q540 PolarHBondContact O-NE2 2.93Å; Q540-E542 PolarHBondContact O-N 3.45Å
541	H	90.6	Very high	90.5	Very high	79 Å²	79	39.6 Å²	39.6	37%	0.366	20%	0.196	S	C	.	.			trans	-86.9	102.9	-175.8	-74.7	-50.5	0	0	0	111.9	D504 A506 T539 K543 I544 L545	D504-H541 PolarHBondContact O-CD2 3.31Å; D504-H541 VanDerWaalsContact O-CD2 3.31Å; D504-H541 IonicContact OD1-CD2 3.2Å; D504-H541 IonicContact OD2-CD2 3.09Å; A506-H541 HydrophobicContact CB-CB 4.2Å; T539-H541 PolarHBondContact OG1-N 2.85Å; H541-K543 PolarHBondContact O-N 2.73Å; H541-I544 HydrophobicContact CB-CB 4.28Å; H541-I544 HydrophobicContact CB-CD1 3.76Å; H541-I544 HydrophobicContact CB-CG1 3.71Å; H541-I544 PolarHBondContact O-N 3.2Å; H541-L545 PolarHBondContact O-N 3.39Å
542	E	88.5	Confident	90.5	Very high	97 Å²	97	37.7 Å²	37.7	45%	0.453	19%	0.186	S	C	.	.	H	α-helix	trans	-44.5	-43.1	179.1	-164.5	-144.2	138.1	0	0	112.9	Q540 I544 L545 R546 I577	Q540-E542 PolarHBondContact O-N 3.45Å; E542-I544 PolarHBondContact O-N 2.7Å; E542-L545 PolarHBondContact O-N 3.01Å; E542-R546 VanDerWaalsContact O-CG 3.28Å; E542-R546 WeakPolarHBondContact O-CG 3.36Å; E542-R546 PolarHBondContact O-N 3.37Å; E542-R546 WeakPolarHBondContact OE1-CD 3.32Å; E542-R546 IonicContact OE1-CZ 3.73Å; E542-R546 IonicContact OE1-NE 2.83Å; E542-R546 IonicContact OE1-NH1 2.61Å; E542-R546 PolarHBondContact OE1-NH1 2.9Å; E542-R546 IonicContact OE2-NH1 2.73Å; E542-I577 HydrophobicContact CG-CD1 3.49Å; E542-I577 VanDerWaalsContact CG-CD1 3.49Å
543	K	90.1	Very high	90.6	Very high	54 Å²	54	37.7 Å²	37.7	24%	0.235	19%	0.186	C	C	.	.	H	α-helix	trans	-58.3	-46.2	177.2	-71.3	-166.3	164.9	-154.3	0	113.9	A506 E510 H541 R546 G547	A506-K543 HydrophobicContact CB-CD 4.28Å; A506-K543 WeakPolarHBondContact O-CB 3.39Å; A506-K543 WeakPolarHBondContact O-CD 3.35Å; E510-K543 HydrophobicContact CB-CB 4.09Å; E510-K543 WeakPolarHBondContact CB-O 3.14Å; E510-K543 HydrophobicContact CG-CB 4.4Å; E510-K543 WeakPolarHBondContact CG-O 3.36Å; E510-K543 WeakPolarHBondContact OE2-CD 3.33Å; E510-K543 IonicContact OE2-NZ 3.53Å; H541-K543 PolarHBondContact O-N 2.73Å; K543-R546 PolarHBondContact O-N 2.8Å; K543-G547 PolarHBondContact O-N 3.45Å
544	I	92.4	Very high	90.6	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-66.8	-45.8	178.9	-50.9	-173.5	0	0	0	108.8	L501 D504 Y535 T539 H541 E542 R546 G547 L548	L501-I544 HydrophobicContact CD1-CG2 3.5Å; L501-I544 VanDerWaalsContact CD1-CG2 3.5Å; D504-I544 WeakPolarHBondContact OD1-CD1 3.29Å; Y535-I544 HydrophobicContact CE1-CG2 4.21Å; T539-I544 HydrophobicContact CG2-CB 4.16Å; T539-I544 HydrophobicContact CG2-CG2 4.18Å; H541-I544 HydrophobicContact CB-CB 4.28Å; H541-I544 HydrophobicContact CB-CD1 3.76Å; H541-I544 HydrophobicContact CB-CG1 3.71Å; H541-I544 PolarHBondContact O-N 3.2Å; E542-I544 PolarHBondContact O-N 2.7Å; I544-R546 VanDerWaalsContact C-N 3.31Å; I544-R546 PolarHBondContact O-N 2.89Å; I544-G547 PolarHBondContact O-N 2.85Å; I544-G547 VanDerWaalsContact O-N 3.1Å; I544-L548 HydrophobicContact CG2-CD1 3.96Å; I544-L548 HydrophobicContact CG2-CG 4.42Å; I544-L548 WeakPolarHBondContact O-CG 3.32Å; I544-L548 PolarHBondContact O-N 3.03Å
545	L	91.6	Very high	90.7	Very high	17 Å²	17	35.1 Å²	35.1	9%	0.089	16%	0.164	C	C	.	.	H	α-helix	trans	-59	-37.5	175.4	-179	52.4	0	0	0	112.8	A536 H541 E542 A549 I577 L578	A536-L545 HydrophobicContact CB-CD1 3.77Å; A536-L545 WeakPolarHBondContact O-CD1 3.4Å; H541-L545 PolarHBondContact O-N 3.39Å; E542-L545 PolarHBondContact O-N 3.01Å; L545-A549 WeakPolarHBondContact O-CB 3.16Å; L545-A549 PolarHBondContact O-N 3.07Å; L545-I577 HydrophobicContact CD1-CG2 4.46Å; L545-I577 HydrophobicContact CD2-CB 4.09Å; L545-I577 HydrophobicContact CD2-CD1 4.09Å; L545-I577 HydrophobicContact CD2-CG2 4.48Å; L545-I577 HydrophobicContact CG-CB 3.96Å; L545-I577 HydrophobicContact CG-CD1 4.28Å; L545-I577 HydrophobicContact CG-CG2 3.8Å; L545-L578 HydrophobicContact CD1-CD2 3.75Å; L545-L578 HydrophobicContact CD1-CG 4.15Å
546	R	89.6	Confident	90.4	Very high	23 Å²	23	34.3 Å²	34.3	9%	0.087	16%	0.161	C	C	.	.	H	α-helix	trans	-67.1	-42.7	172.2	-71.7	-173.1	-48.4	-144.9	17.2	112.6	E510 E542 K543 I544 A549 V550 I577	E510-R546 IonicContact OE1-CZ 2.79Å; E510-R546 VanDerWaalsContact OE1-CZ 3.29Å; E510-R546 IonicContact OE1-NE 2.75Å; E510-R546 PolarHBondContact OE1-NE 2.82Å; E510-R546 IonicContact OE1-NH2 2.71Å; E510-R546 PolarHBondContact OE1-NH2 3.14Å; E510-R546 IonicContact OE2-NH2 3.69Å; E542-R546 VanDerWaalsContact O-CG 3.28Å; E542-R546 WeakPolarHBondContact O-CG 3.36Å; E542-R546 PolarHBondContact O-N 3.37Å; E542-R546 WeakPolarHBondContact OE1-CD 3.32Å; E542-R546 IonicContact OE1-CZ 3.73Å; E542-R546 IonicContact OE1-NE 2.83Å; E542-R546 IonicContact OE1-NH1 2.61Å; E542-R546 PolarHBondContact OE1-NH1 2.9Å; E542-R546 IonicContact OE2-NH1 2.73Å; K543-R546 PolarHBondContact O-N 2.8Å; I544-R546 VanDerWaalsContact C-N 3.31Å; I544-R546 PolarHBondContact O-N 2.89Å; R546-A549 PolarHBondContact O-N 2.83Å; R546-V550 PolarHBondContact O-N 3.46Å; R546-I577 HydrophobicContact CG-CD1 4.29Å; R546-I577 HydrophobicContact CG-CG2 4.21Å
547	G	90.3	Very high	90.3	Very high	1 Å²	1	35 Å²	35	1%	0.01	16%	0.164	C	C	.	.	H	α-helix	trans	-60.9	-48.5	176.8	0	0	0	0	0	111.8	G513 K543 I544 V550 G551	G513-G547 CarbonylContact C-O 3.59Å; K543-G547 PolarHBondContact O-N 3.45Å; I544-G547 PolarHBondContact O-N 2.85Å; I544-G547 VanDerWaalsContact O-N 3.1Å; G547-V550 PolarHBondContact O-N 3.16Å; G547-G551 PolarHBondContact O-N 3.18Å
548	L	92.8	Very high	90	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-64.1	-40.1	175.2	-65.8	169.4	0	0	0	112.4	L501 M532 Y535 A536 I544 V550 G551 I552	L501-L548 HydrophobicContact CD1-CD1 4.33Å; L501-L548 HydrophobicContact CD1-CD2 4.15Å; L501-L548 HydrophobicContact CD1-CG 4.41Å; L501-L548 HydrophobicContact CD2-CD2 3.87Å; M532-L548 HydrophobicContact CB-CD2 4.07Å; M532-L548 HydrophobicContact CG-CD2 3.79Å; M532-L548 HydrophobicContact SD-CD2 4.17Å; Y535-L548 HydrophobicContact CD1-CD1 4.04Å; A536-L548 HydrophobicContact CB-CB 4.19Å; A536-L548 HydrophobicContact CB-CD1 3.86Å; I544-L548 HydrophobicContact CG2-CD1 3.96Å; I544-L548 HydrophobicContact CG2-CG 4.42Å; I544-L548 WeakPolarHBondContact O-CG 3.32Å; I544-L548 PolarHBondContact O-N 3.03Å; L548-V550 VanDerWaalsContact C-N 3.28Å; L548-V550 PolarHBondContact O-N 3.42Å; L548-G551 PolarHBondContact O-N 3.02Å; L548-G551 VanDerWaalsContact O-N 3.08Å; L548-I552 WeakPolarHBondContact O-CB 3.03Å; L548-I552 WeakPolarHBondContact O-CD1 3.29Å; L548-I552 VanDerWaalsContact O-CG1 3.25Å; L548-I552 WeakPolarHBondContact O-CG1 3.13Å; L548-I552 PolarHBondContact O-N 3.5Å
549	A	92.1	Very high	89.6	Confident	2 Å²	2	27.2 Å²	27.2	2%	0.017	13%	0.132	C	C	.	.	H	α-helix	trans	-60.1	-35.2	177.3	0	0	0	0	0	113.5	L545 R546 I577 S581	L545-A549 WeakPolarHBondContact O-CB 3.16Å; L545-A549 PolarHBondContact O-N 3.07Å; R546-A549 PolarHBondContact O-N 2.83Å; A549-I577 HydrophobicContact CB-CG2 3.78Å; A549-S581 PolarHBondContact O-OG 3.21Å
550	V	92.4	Very high	89.4	Confident	8 Å²	8	27.9 Å²	27.9	5%	0.048	14%	0.135	C	C	.	.	H	α-helix	trans	-78.6	-39.9	171.1	177.7	0	0	0	0	110.5	L514 R546 G547 L548 I552 A553 L554 V726 Q729	L514-V550 HydrophobicContact CD2-CB 3.67Å; L514-V550 HydrophobicContact CD2-CG1 3.58Å; L514-V550 HydrophobicContact CD2-CG2 4.4Å; R546-V550 PolarHBondContact O-N 3.46Å; G547-V550 PolarHBondContact O-N 3.16Å; L548-V550 VanDerWaalsContact C-N 3.28Å; L548-V550 PolarHBondContact O-N 3.42Å; V550-I552 PolarHBondContact O-N 3.4Å; V550-A553 WeakPolarHBondContact O-CB 3.11Å; V550-A553 PolarHBondContact O-N 3.25Å; V550-L554 HydrophobicContact CG1-CD1 4.15Å; V550-L554 HydrophobicContact CG1-CG 4.39Å; V550-L554 WeakPolarHBondContact O-CG 3.28Å; V550-L554 PolarHBondContact O-N 2.87Å; V550-L554 VanDerWaalsContact O-N 3.11Å; V550-V726 HydrophobicContact CG1-CG2 4.36Å; V550-Q729 HydrophobicContact CG2-CG 4.34Å
551	G	91.8	Very high	89.2	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-57.7	-47.9	179.5	0	0	0	0	0	113.8	G517 G547 L548 A553 L554 V555	G517-G551 WeakPolarHBondContact CA-O 3.18Å; G547-G551 PolarHBondContact O-N 3.18Å; L548-G551 PolarHBondContact O-N 3.02Å; L548-G551 VanDerWaalsContact O-N 3.08Å; G551-A553 VanDerWaalsContact C-N 3.3Å; G551-A553 PolarHBondContact O-N 2.81Å; G551-L554 WeakPolarHBondContact O-CB 3.39Å; G551-L554 PolarHBondContact O-N 3.09Å; G551-L554 VanDerWaalsContact O-N 3.16Å; G551-V555 PolarHBondContact O-N 3.08Å
552	I	91.6	Very high	88.8	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-59.5	-39.8	177.1	-66.4	159.3	0	0	0	111.3	M532 V533 L548 V550 V555 L566 L570	M532-I552 HydrophobicContact CB-CD1 4.15Å; M532-I552 HydrophobicContact CB-CG1 3.76Å; V533-I552 HydrophobicContact CG2-CD1 3.83Å; V533-I552 HydrophobicContact CG2-CG1 4.33Å; V533-I552 HydrophobicContact CG2-CG2 4.41Å; L548-I552 WeakPolarHBondContact O-CB 3.03Å; L548-I552 WeakPolarHBondContact O-CD1 3.29Å; L548-I552 VanDerWaalsContact O-CG1 3.25Å; L548-I552 WeakPolarHBondContact O-CG1 3.13Å; L548-I552 PolarHBondContact O-N 3.5Å; V550-I552 PolarHBondContact O-N 3.4Å; I552-V555 PolarHBondContact O-N 3.02Å; I552-L566 HydrophobicContact CG2-CD2 3.88Å; I552-L570 HydrophobicContact CG2-CD1 4.18Å
553	A	92.3	Very high	88.7	Confident	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-66.1	-36.7	177.4	0	0	0	0	0	112.8	V550 G551 M556 T585 M588	V550-A553 WeakPolarHBondContact O-CB 3.11Å; V550-A553 PolarHBondContact O-N 3.25Å; G551-A553 VanDerWaalsContact C-N 3.3Å; G551-A553 PolarHBondContact O-N 2.81Å; A553-M556 PolarHBondContact O-N 3.22Å; A553-T585 WeakPolarHBondContact CA-OG1 3.45Å; A553-M588 VanDerWaalsContact O-CB 3.26Å; A553-M588 WeakPolarHBondContact O-CB 3.12Å
554	L	91.3	Very high	88.6	Confident	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-66.7	-38.8	178.2	-67.8	171.4	0	0	0	112.5	G517 L518 L521 G522 V550 G551 M556 Y557 V722 L725	G517-L554 WeakPolarHBondContact O-CB 3.47Å; L518-L554 HydrophobicContact CD2-CD1 4.01Å; L518-L554 HydrophobicContact CG-CD1 4.17Å; L521-L554 HydrophobicContact CD1-CB 4.14Å; L521-L554 HydrophobicContact CD1-CD2 4.21Å; L521-L554 WeakPolarHBondContact CD1-O 3.37Å; G522-L554 PolarHBondContact N-O 3.06Å; G522-L554 VanDerWaalsContact N-O 3.13Å; V550-L554 HydrophobicContact CG1-CD1 4.15Å; V550-L554 HydrophobicContact CG1-CG 4.39Å; V550-L554 WeakPolarHBondContact O-CG 3.28Å; V550-L554 PolarHBondContact O-N 2.87Å; V550-L554 VanDerWaalsContact O-N 3.11Å; G551-L554 WeakPolarHBondContact O-CB 3.39Å; G551-L554 PolarHBondContact O-N 3.09Å; G551-L554 VanDerWaalsContact O-N 3.16Å; L554-M556 PolarHBondContact O-N 2.81Å; L554-M556 VanDerWaalsContact O-N 3.15Å; L554-Y557 PolarHBondContact O-N 2.99Å; L554-V722 HydrophobicContact CD2-CB 4.25Å; L554-V722 HydrophobicContact CD2-CG1 3.82Å; L554-V722 HydrophobicContact CD2-CG2 3.68Å; L554-L725 HydrophobicContact CD2-CD2 4.17Å
555	V	90.9	Very high	88.5	Confident	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-60.5	-27.4	179.6	179.6	0	0	0	0	112.8	M520 G522 K524 I529 M532 G551 I552	M520-V555 HydrophobicContact CB-CG2 3.75Å; G522-V555 CarbonylContact C-O 3.59Å; G522-V555 VanDerWaalsContact CA-O 3.3Å; G522-V555 WeakPolarHBondContact CA-O 3.34Å; G522-V555 PolarHBondContact N-O 2.81Å; K524-V555 PolarHBondContact N-O 3.49Å; I529-V555 HydrophobicContact CD1-CG1 4.1Å; I529-V555 HydrophobicContact CG1-CG1 3.93Å; M532-V555 HydrophobicContact CE-CG2 3.8Å; G551-V555 PolarHBondContact O-N 3.08Å; I552-V555 PolarHBondContact O-N 3.02Å
556	M	87.3	Confident	88.4	Confident	7 Å²	7	22.9 Å²	22.9	3%	0.034	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	6.8	-177.1	-72.8	-62.4	-168.2	0	0	115.6	K524 I529 A553 L554 G558 R559 A563 L566 T585 A589	K524-M556 HydrophobicContact CG-SD 4.06Å; I529-M556 HydrophobicContact CD1-CE 3.55Å; I529-M556 HydrophobicContact CD1-SD 4.41Å; I529-M556 HydrophobicContact CG1-CE 4.43Å; A553-M556 PolarHBondContact O-N 3.22Å; L554-M556 PolarHBondContact O-N 2.81Å; L554-M556 VanDerWaalsContact O-N 3.15Å; M556-G558 PolarHBondContact O-N 3.37Å; M556-R559 WeakPolarHBondContact O-CB 3.36Å; M556-R559 PolarHBondContact O-N 3.04Å; M556-A563 HydrophobicContact CB-CB 4.23Å; M556-A563 HydrophobicContact CE-CB 4.48Å; M556-A563 HydrophobicContact CG-CB 4.11Å; M556-A563 HydrophobicContact SD-CB 3.94Å; M556-L566 HydrophobicContact CE-CB 4.2Å; M556-L566 HydrophobicContact CE-CD2 3.49Å; M556-L566 VanDerWaalsContact CE-CD2 3.49Å; M556-L566 HydrophobicContact CE-CG 4.5Å; M556-L566 HydrophobicContact CG-CD2 4.14Å; M556-T585 HydrophobicContact CB-CG2 4Å; M556-T585 HydrophobicContact CG-CG2 3.95Å; M556-A589 WeakPolarHBondContact O-CA 3.45Å
557	Y	87.8	Confident	88.5	Confident	19 Å²	19	21.8 Å²	21.8	8%	0.075	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.1	123.2	-178.2	-176.5	-99.7	0	0	0	113.2	L521 L554 R559 M588 C591 T716 M718 V721	L521-Y557 HydrophobicContact CD1-CG 4.45Å; L554-Y557 PolarHBondContact O-N 2.99Å; Y557-R559 VanDerWaalsContact C-N 3.29Å; Y557-R559 PolarHBondContact O-N 3.2Å; Y557-M588 WeakPolarHBondContact CA-O 3.22Å; Y557-M588 HydrophobicContact CD2-SD 4.13Å; Y557-C591 HydrophobicContact CE2-CB 4.26Å; Y557-T716 WeakPolarHBondContact OH-CB 3.18Å; Y557-T716 PolarHBondContact OH-O 2.84Å; Y557-T716 PolarHBondContact OH-OG1 2.93Å; Y557-M718 HydrophobicContact CD1-CG 4Å; Y557-M718 HydrophobicContact CD1-SD 4.16Å; Y557-M718 HydrophobicContact CE1-CB 3.78Å; Y557-M718 HydrophobicContact CE1-CG 3.68Å; Y557-M718 HydrophobicContact CE1-SD 4.19Å; Y557-M718 WeakPolarHBondContact OH-CA 3.32Å; Y557-V721 HydrophobicContact CE2-CB 4.14Å; Y557-V721 HydrophobicContact CE2-CG1 3.96Å; Y557-V721 HydrophobicContact CE2-CG2 4.46Å
558	G	81.3	Confident	88.5	Confident	28 Å²	28	27 Å²	27	29%	0.289	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.6	10.5	176	0	0	0	0	0	116.6	K191 M556 M588	K191-G558 PolarHBondContact NZ-O 2.84Å; M556-G558 PolarHBondContact O-N 3.37Å; G558-M588 PolarHBondContact N-O 3.39Å
559	R	82.1	Confident	88.4	Confident	51 Å²	51	30 Å²	30	19%	0.192	17%	0.168	C	C	.	.			trans	-90.9	-6.7	-178.2	-57.9	-66	166.7	-150.3	-12	114.5	D224 G522 K524 M556 Y557 E561 E562	D224-R559 IonicContact OD2-NH1 3.13Å; G522-R559 PolarHBondContact O-NE 3.43Å; G522-R559 PolarHBondContact O-NH2 2.78Å; K524-R559 HydrophobicContact CB-CG 4.24Å; K524-R559 HydrophobicContact CG-CG 4.37Å; M556-R559 WeakPolarHBondContact O-CB 3.36Å; M556-R559 PolarHBondContact O-N 3.04Å; Y557-R559 VanDerWaalsContact C-N 3.29Å; Y557-R559 PolarHBondContact O-N 3.2Å; R559-E561 PolarHBondContact O-N 3.26Å; R559-E562 HydrophobicContact CB-CB 4.19Å; R559-E562 VanDerWaalsContact O-CB 3.25Å; R559-E562 WeakPolarHBondContact O-CB 3.36Å; R559-E562 VanDerWaalsContact O-CG 3.28Å; R559-E562 WeakPolarHBondContact O-CG 3.38Å; R559-E562 PolarHBondContact O-N 2.89Å; R559-E562 VanDerWaalsContact O-N 3.12Å
560	M	84.4	Confident	88.4	Confident	25 Å²	25	29.9 Å²	29.9	12%	0.123	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	48.8	-122.8	172.2	-59.6	-179.4	174.7	0	0	113.1	K191 E562 A563 A589 Y590	K191-M560 HydrophobicContact CB-SD 4.02Å; K191-M560 HydrophobicContact CD-SD 4.34Å; M560-E562 PolarHBondContact O-N 2.76Å; M560-A563 WeakPolarHBondContact O-CB 3.41Å; M560-A563 PolarHBondContact O-N 2.83Å; M560-A563 VanDerWaalsContact O-N 3.07Å; M560-A589 VanDerWaalsContact CA-O 3.25Å; M560-A589 WeakPolarHBondContact CA-O 3.4Å; M560-A589 WeakPolarHBondContact CG-O 3.19Å; M560-A589 PolarHBondContact N-O 3.34Å; M560-Y590 HydrophobicContact CB-CD1 4.39Å; M560-Y590 HydrophobicContact CB-CE1 4.11Å; M560-Y590 HydrophobicContact CG-CD1 4.47Å
561	E	81.7	Confident	88.3	Confident	109 Å²	109	31.2 Å²	31.2	51%	0.509	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-62.7	-22.9	-176.1	-63.2	172.8	170.9	0	0	113.1	R559 A563 D564 Y590	R559-E561 PolarHBondContact O-N 3.26Å; E561-A563 PolarHBondContact O-N 2.88Å; E561-A563 VanDerWaalsContact O-N 3.12Å; E561-D564 WeakPolarHBondContact O-CB 3.49Å; E561-D564 PolarHBondContact O-N 2.89Å; E561-D564 VanDerWaalsContact O-N 3.07Å; E561-Y590 WeakPolarHBondContact CA-OH 3.47Å
562	E	81.8	Confident	88.2	Confident	86 Å²	86	41.8 Å²	41.8	40%	0.402	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-62.7	-18.4	174.8	-53.8	175.1	-124	0	0	112.9	K191 K524 R559 M560	K191-E562 IonicContact NZ-OE1 3.25Å; K524-E562 WeakPolarHBondContact CD-OE2 3.5Å; K524-E562 WeakPolarHBondContact CE-OE2 3.24Å; K524-E562 IonicContact NZ-OE2 3.46Å; K524-E562 PolarHBondContact NZ-OE2 3.4Å; R559-E562 HydrophobicContact CB-CB 4.19Å; R559-E562 VanDerWaalsContact O-CB 3.25Å; R559-E562 WeakPolarHBondContact O-CB 3.36Å; R559-E562 VanDerWaalsContact O-CG 3.28Å; R559-E562 WeakPolarHBondContact O-CG 3.38Å; R559-E562 PolarHBondContact O-N 2.89Å; R559-E562 VanDerWaalsContact O-N 3.12Å; M560-E562 PolarHBondContact O-N 2.76Å
563	A	87.2	Confident	88.2	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-92.4	-11.5	177	0	0	0	0	0	113.7	M556 M560 E561 A565 L566 I567 T585 A589	M556-A563 HydrophobicContact CB-CB 4.23Å; M556-A563 HydrophobicContact CE-CB 4.48Å; M556-A563 HydrophobicContact CG-CB 4.11Å; M556-A563 HydrophobicContact SD-CB 3.94Å; M560-A563 WeakPolarHBondContact O-CB 3.41Å; M560-A563 PolarHBondContact O-N 2.83Å; M560-A563 VanDerWaalsContact O-N 3.07Å; E561-A563 PolarHBondContact O-N 2.88Å; E561-A563 VanDerWaalsContact O-N 3.12Å; A563-A565 VanDerWaalsContact C-N 3.3Å; A563-A565 PolarHBondContact O-N 2.79Å; A563-L566 PolarHBondContact O-N 3.43Å; A563-L566 VanDerWaalsContact O-N 3.13Å; A563-I567 HydrophobicContact CB-CD1 3.83Å; A563-I567 HydrophobicContact CB-CG1 4.5Å; A563-I567 WeakPolarHBondContact O-CD1 3.47Å; A563-I567 WeakPolarHBondContact O-CG1 3.46Å; A563-I567 PolarHBondContact O-N 3.49Å; A563-T585 HydrophobicContact CB-CG2 4.44Å; A563-A589 HydrophobicContact CB-CB 3.67Å
564	D	87.9	Confident	88	Confident	15 Å²	15	52.5 Å²	52.5	8%	0.08	27%	0.265	C	S	.	.	H	α-helix	trans	-58.4	-38.8	-171.4	-95	-32.1	0	0	0	113	E561 I567 E568 Y590 K597 R601	E561-D564 WeakPolarHBondContact O-CB 3.49Å; E561-D564 PolarHBondContact O-N 2.89Å; E561-D564 VanDerWaalsContact O-N 3.07Å; D564-I567 PolarHBondContact O-N 3.45Å; D564-E568 WeakPolarHBondContact O-CG 3.3Å; D564-E568 PolarHBondContact O-N 3.19Å; D564-Y590 PolarHBondContact OD2-OH 2.93Å; D564-K597 WeakPolarHBondContact OD2-CE 3.26Å; D564-K597 IonicContact OD2-NZ 3.21Å; D564-K597 PolarHBondContact OD2-NZ 3.21Å; D564-R601 IonicContact OD1-CZ 3.26Å; D564-R601 IonicContact OD1-NH1 2.71Å; D564-R601 PolarHBondContact OD1-NH1 3.2Å; D564-R601 IonicContact OD1-NH2 3.91Å; D564-R601 PolarHBondContact OD1-NH2 2.79Å
565	A	90.1	Very high	88	Confident	82 Å²	82	56.4 Å²	56.4	68%	0.678	29%	0.286	S	S	*	.	H	α-helix	trans	-63.9	-41.4	178.8	0	0	0	0	0	112.6	A563 S569	A563-A565 VanDerWaalsContact C-N 3.3Å; A563-A565 PolarHBondContact O-N 2.79Å; A565-S569 PolarHBondContact O-N 3.21Å
566	L	89.4	Confident	88	Confident	25 Å²	25	58.4 Å²	58.4	13%	0.131	30%	0.299	C	S	.	.	H	α-helix	trans	-68.1	-42.6	175.1	176.4	63.4	0	0	0	110.8	I529 V533 I552 M556 A563 E568 S569 L570 T585	I529-L566 HydrophobicContact CG2-CD1 4.1Å; I529-L566 HydrophobicContact CG2-CD2 3.84Å; V533-L566 HydrophobicContact CG2-CD1 3.98Å; I552-L566 HydrophobicContact CG2-CD2 3.88Å; M556-L566 HydrophobicContact CE-CB 4.2Å; M556-L566 HydrophobicContact CE-CD2 3.49Å; M556-L566 VanDerWaalsContact CE-CD2 3.49Å; M556-L566 HydrophobicContact CE-CG 4.5Å; M556-L566 HydrophobicContact CG-CD2 4.14Å; A563-L566 PolarHBondContact O-N 3.43Å; A563-L566 VanDerWaalsContact O-N 3.13Å; L566-E568 VanDerWaalsContact C-N 3.32Å; L566-E568 PolarHBondContact O-N 3.06Å; L566-S569 PolarHBondContact O-N 2.79Å; L566-L570 HydrophobicContact CD1-CD1 4.02Å; L566-L570 HydrophobicContact CD1-CG 4.09Å; L566-L570 HydrophobicContact CD2-CD1 4.43Å; L566-L570 HydrophobicContact CG-CD1 3.86Å; L566-L570 HydrophobicContact CG-CG 4.34Å; L566-L570 WeakPolarHBondContact O-CG 3.22Å; L566-L570 PolarHBondContact O-N 3.43Å; L566-T585 HydrophobicContact CD2-CG2 4.37Å
567	I	90.9	Very high	88.2	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-58.2	-44.9	177	-71.1	159.7	0	0	0	110.7	A563 D564 S569 L570 C571 T585 V586	A563-I567 HydrophobicContact CB-CD1 3.83Å; A563-I567 HydrophobicContact CB-CG1 4.5Å; A563-I567 WeakPolarHBondContact O-CD1 3.47Å; A563-I567 WeakPolarHBondContact O-CG1 3.46Å; A563-I567 PolarHBondContact O-N 3.49Å; D564-I567 PolarHBondContact O-N 3.45Å; I567-S569 VanDerWaalsContact C-N 3.35Å; I567-S569 PolarHBondContact O-N 2.9Å; I567-L570 PolarHBondContact O-N 2.85Å; I567-C571 VanDerWaalsContact O-CB 3.28Å; I567-C571 WeakPolarHBondContact O-CB 3.22Å; I567-C571 PolarHBondContact O-N 2.78Å; I567-C571 PolarHBondContact O-SG 2.99Å; I567-T585 HydrophobicContact CD1-CG2 4.18Å; I567-T585 HydrophobicContact CG1-CG2 3.68Å; I567-V586 HydrophobicContact CB-CG2 4.33Å; I567-V586 HydrophobicContact CD1-CB 4.39Å; I567-V586 HydrophobicContact CD1-CG2 3.68Å; I567-V586 HydrophobicContact CG1-CG2 3.93Å; I567-V586 HydrophobicContact CG2-CG2 3.45Å; I567-V586 VanDerWaalsContact CG2-CG2 3.45Å
568	E	90.8	Very high	88.4	Confident	111 Å²	111	58.4 Å²	58.4	52%	0.519	30%	0.3	S	S	.	.	H	α-helix	trans	-71.7	-27.1	-178.6	-72.6	-177.5	-175.3	0	0	113.4	D564 L566 R572 R601	D564-E568 WeakPolarHBondContact O-CG 3.3Å; D564-E568 PolarHBondContact O-N 3.19Å; L566-E568 VanDerWaalsContact C-N 3.32Å; L566-E568 PolarHBondContact O-N 3.06Å; E568-R572 WeakPolarHBondContact O-CB 3.47Å; E568-R572 PolarHBondContact O-N 2.93Å; E568-R601 IonicContact OE1-CZ 3.13Å; E568-R601 IonicContact OE1-NE 3.69Å; E568-R601 IonicContact OE1-NH2 2.68Å; E568-R601 PolarHBondContact OE1-NH2 3.05Å
569	S	92.1	Very high	88.9	Confident	62 Å²	62	58.8 Å²	58.8	43%	0.434	29%	0.292	S	S	.	.	H	α-helix	trans	-66.4	-58.2	166.2	-164.3	0	0	0	0	111	A565 L566 I567 C571 R572 D573	A565-S569 PolarHBondContact O-N 3.21Å; L566-S569 PolarHBondContact O-N 2.79Å; I567-S569 VanDerWaalsContact C-N 3.35Å; I567-S569 PolarHBondContact O-N 2.9Å; S569-C571 VanDerWaalsContact C-N 3.25Å; S569-C571 PolarHBondContact O-N 3.44Å; S569-R572 PolarHBondContact O-N 3.44Å; S569-D573 PolarHBondContact O-N 2.76Å
570	L	90.8	Very high	89.5	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-59.2	-33.2	-177.2	-70.7	173.3	0	0	0	113.1	I552 L566 I567 R572 L578 R579	I552-L570 HydrophobicContact CG2-CD1 4.18Å; L566-L570 HydrophobicContact CD1-CD1 4.02Å; L566-L570 HydrophobicContact CD1-CG 4.09Å; L566-L570 HydrophobicContact CD2-CD1 4.43Å; L566-L570 HydrophobicContact CG-CD1 3.86Å; L566-L570 HydrophobicContact CG-CG 4.34Å; L566-L570 WeakPolarHBondContact O-CG 3.22Å; L566-L570 PolarHBondContact O-N 3.43Å; I567-L570 PolarHBondContact O-N 2.85Å; L570-R572 VanDerWaalsContact C-N 3.34Å; L570-L578 HydrophobicContact CD2-CB 4.29Å; L570-L578 HydrophobicContact CD2-CD2 4.14Å; L570-L578 CarbonylContact O-C 3.54Å; L570-R579 WeakPolarHBondContact O-CA 3.46Å; L570-R579 WeakPolarHBondContact O-CG 3.48Å; L570-R579 PolarHBondContact O-N 3.06Å
571	C	90.1	Very high	89.8	Confident	36 Å²	36	55.4 Å²	55.4	24%	0.243	28%	0.278	C	S	.	.	H	α-helix	trans	-75.4	-19.6	176.6	-66.8	0	0	0	0	113.7	I567 S569 R579 M583	I567-C571 VanDerWaalsContact O-CB 3.28Å; I567-C571 WeakPolarHBondContact O-CB 3.22Å; I567-C571 PolarHBondContact O-N 2.78Å; I567-C571 PolarHBondContact O-SG 2.99Å; S569-C571 VanDerWaalsContact C-N 3.25Å; S569-C571 PolarHBondContact O-N 3.44Å; C571-R579 VanDerWaalsContact O-CD 3.23Å; C571-R579 WeakPolarHBondContact O-CD 3.33Å; C571-M583 WeakPolarHBondContact SG-CE 3.33Å
572	R	91.3	Very high	90.3	Very high	222 Å²	222	50.2 Å²	50.2	84%	0.838	25%	0.254	S	S	*	.	H	α-helix	trans	-89.9	-17.6	178	179.9	171.8	-78.5	-176.9	-2.1	112.5	E568 S569 L570	E568-R572 WeakPolarHBondContact O-CB 3.47Å; E568-R572 PolarHBondContact O-N 2.93Å; S569-R572 PolarHBondContact O-N 3.44Å; L570-R572 VanDerWaalsContact C-N 3.34Å
573	D	90.1	Very high	90.9	Very high	37 Å²	37	46.1 Å²	46.1	20%	0.198	24%	0.235	C	C	.	.	S	Bend	trans	-63.9	148.2	-179.6	-83.6	-33.3	0	0	0	113.7	Q537 S569 D575 L578 R579	Q537-D573 PolarHBondContact NE2-OD2 2.79Å; Q537-D573 VanDerWaalsContact NE2-OD2 3.1Å; S569-D573 PolarHBondContact O-N 2.76Å; D573-D575 VanDerWaalsContact C-N 3.31Å; D573-D575 PolarHBondContact O-N 3.26Å; D573-L578 HydrophobicContact CB-CB 4.05Å; D573-L578 HydrophobicContact CB-CD1 4.1Å; D573-R579 WeakPolarHBondContact O-CD 3.45Å; D573-R579 VanDerWaalsContact O-CG 3.31Å; D573-R579 WeakPolarHBondContact O-CG 3.35Å; D573-R579 PolarHBondContact O-NH1 3.2Å
574	K	88.8	Confident	91.2	Very high	188 Å²	188	46.2 Å²	46.2	82%	0.817	24%	0.235	S	C	*	.	S	Bend	trans	-68.7	-33	-176.5	-65.9	175.2	-175.9	168.3	0	111.9	P576 R579	K574-P576 WeakPolarHBondContact O-CD 3.44Å; K574-R579 VanDerWaalsContact C-NH1 3.28Å; K574-R579 PolarHBondContact O-NH1 2.82Å
575	D	90.3	Very high	91.5	Very high	82 Å²	82	45.5 Å²	45.5	44%	0.439	23%	0.232	S	C	.	.	S	Bend	trans	-78.3	121.8	-172.7	-61.8	-72.9	0	0	0	111.7	D573 I577 L578 R579	D573-D575 VanDerWaalsContact C-N 3.31Å; D573-D575 PolarHBondContact O-N 3.26Å; D575-I577 PolarHBondContact O-N 3.38Å; D575-I577 VanDerWaalsContact O-N 3.12Å; D575-L578 HydrophobicContact CB-CB 4.47Å; D575-L578 HydrophobicContact CB-CD1 4.27Å; D575-L578 HydrophobicContact CB-CG 4.29Å; D575-L578 PolarHBondContact O-N 3.36Å; D575-L578 VanDerWaalsContact O-N 3.08Å; D575-R579 PolarHBondContact O-N 3.17Å; D575-R579 VanDerWaalsContact O-N 3.16Å
576	P	91.8	Very high	91.6	Very high	42 Å²	42	41.6 Å²	41.6	27%	0.273	20%	0.199	S	C	.	.	H	α-helix	trans	-59	-28.7	-177.2	-25.7	34.5	0	0	0	113.6	K574 R579 R580 N611 V614	K574-P576 WeakPolarHBondContact O-CD 3.44Å; P576-R579 PolarHBondContact O-N 3.05Å; P576-R580 VanDerWaalsContact O-CB 3.29Å; P576-R580 WeakPolarHBondContact O-CB 3.48Å; P576-R580 PolarHBondContact O-N 2.82Å; P576-N611 HydrophobicContact CB-CB 3.99Å; P576-N611 HydrophobicContact CG-CB 4.33Å; P576-V614 HydrophobicContact CB-CG2 4.1Å; P576-V614 VanDerWaalsContact O-CG2 3.25Å; P576-V614 WeakPolarHBondContact O-CG2 3.37Å
577	I	91	Very high	91.8	Very high	25 Å²	25	40.4 Å²	40.4	13%	0.128	19%	0.193	C	C	.	.	H	α-helix	trans	-74.1	-31.7	-179.5	-56.7	168.2	0	0	0	111.2	E542 L545 R546 A549 D575 R580 S581	E542-I577 HydrophobicContact CG-CD1 3.49Å; E542-I577 VanDerWaalsContact CG-CD1 3.49Å; L545-I577 HydrophobicContact CD1-CG2 4.46Å; L545-I577 HydrophobicContact CD2-CB 4.09Å; L545-I577 HydrophobicContact CD2-CD1 4.09Å; L545-I577 HydrophobicContact CD2-CG2 4.48Å; L545-I577 HydrophobicContact CG-CB 3.96Å; L545-I577 HydrophobicContact CG-CD1 4.28Å; L545-I577 HydrophobicContact CG-CG2 3.8Å; R546-I577 HydrophobicContact CG-CD1 4.29Å; R546-I577 HydrophobicContact CG-CG2 4.21Å; A549-I577 HydrophobicContact CB-CG2 3.78Å; D575-I577 PolarHBondContact O-N 3.38Å; D575-I577 VanDerWaalsContact O-N 3.12Å; I577-R580 WeakPolarHBondContact O-CB 3.48Å; I577-R580 PolarHBondContact O-N 2.86Å; I577-S581 PolarHBondContact O-N 3.11Å
578	L	91.6	Very high	91.7	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-71.3	-40.7	170.9	-66.6	179.2	0	0	0	111.4	A536 Q537 L545 L570 D573 D575 R580 S581 G582	A536-L578 HydrophobicContact CB-CD2 4.06Å; Q537-L578 HydrophobicContact CG-CD1 3.81Å; L545-L578 HydrophobicContact CD1-CD2 3.75Å; L545-L578 HydrophobicContact CD1-CG 4.15Å; L570-L578 HydrophobicContact CD2-CB 4.29Å; L570-L578 HydrophobicContact CD2-CD2 4.14Å; L570-L578 CarbonylContact O-C 3.54Å; D573-L578 HydrophobicContact CB-CB 4.05Å; D573-L578 HydrophobicContact CB-CD1 4.1Å; D575-L578 HydrophobicContact CB-CB 4.47Å; D575-L578 HydrophobicContact CB-CD1 4.27Å; D575-L578 HydrophobicContact CB-CG 4.29Å; D575-L578 PolarHBondContact O-N 3.36Å; D575-L578 VanDerWaalsContact O-N 3.08Å; L578-R580 VanDerWaalsContact C-N 3.28Å; L578-R580 PolarHBondContact O-N 3.03Å; L578-S581 WeakPolarHBondContact O-CA 3.36Å; L578-S581 VanDerWaalsContact O-CB 3.22Å; L578-S581 WeakPolarHBondContact O-CB 3.13Å; L578-S581 PolarHBondContact O-N 3.21Å; L578-S581 VanDerWaalsContact O-N 3.16Å; L578-G582 PolarHBondContact O-N 2.82Å
579	R	93.4	Very high	91.7	Very high	36 Å²	36	35.1 Å²	35.1	14%	0.136	17%	0.168	C	C	.	.	H	α-helix	trans	-62.7	-35.7	171.1	-63	-159.2	-56.1	-74.5	0.2	112.4	L570 C571 D573 K574 D575 P576 G582 M583 D609 V614	L570-R579 WeakPolarHBondContact O-CA 3.46Å; L570-R579 WeakPolarHBondContact O-CG 3.48Å; L570-R579 PolarHBondContact O-N 3.06Å; C571-R579 VanDerWaalsContact O-CD 3.23Å; C571-R579 WeakPolarHBondContact O-CD 3.33Å; D573-R579 WeakPolarHBondContact O-CD 3.45Å; D573-R579 VanDerWaalsContact O-CG 3.31Å; D573-R579 WeakPolarHBondContact O-CG 3.35Å; D573-R579 PolarHBondContact O-NH1 3.2Å; K574-R579 VanDerWaalsContact C-NH1 3.28Å; K574-R579 PolarHBondContact O-NH1 2.82Å; D575-R579 PolarHBondContact O-N 3.17Å; D575-R579 VanDerWaalsContact O-N 3.16Å; P576-R579 PolarHBondContact O-N 3.05Å; R579-G582 PolarHBondContact O-N 3.43Å; R579-M583 PolarHBondContact O-N 3.44Å; R579-M583 VanDerWaalsContact O-N 3.16Å; R579-D609 IonicContact CZ-OD1 2.69Å; R579-D609 IonicContact CZ-OD2 3.69Å; R579-D609 IonicContact NE-OD2 3.57Å; R579-D609 PolarHBondContact NE-OD2 3.41Å; R579-D609 IonicContact NH2-OD1 2.69Å; R579-D609 PolarHBondContact NH2-OD1 3.33Å; R579-D609 IonicContact NH2-OD2 3.72Å; R579-D609 PolarHBondContact NH2-OD2 2.89Å; R579-D609 VanDerWaalsContact NH2-OD2 3.13Å; R579-V614 HydrophobicContact CB-CG1 4.22Å; R579-V614 HydrophobicContact CB-CG2 4.27Å
580	R	92.9	Very high	91.5	Very high	5 Å²	5	32.2 Å²	32.2	2%	0.019	15%	0.148	C	C	.	.	H	α-helix	trans	-66	-40	172.6	-160.1	175	79.6	-169.1	11.2	112.2	P576 I577 L578 G582 M583 Y584 D613 V614 A617	P576-R580 VanDerWaalsContact O-CB 3.29Å; P576-R580 WeakPolarHBondContact O-CB 3.48Å; P576-R580 PolarHBondContact O-N 2.82Å; I577-R580 WeakPolarHBondContact O-CB 3.48Å; I577-R580 PolarHBondContact O-N 2.86Å; L578-R580 VanDerWaalsContact C-N 3.28Å; L578-R580 PolarHBondContact O-N 3.03Å; R580-G582 VanDerWaalsContact C-N 3.33Å; R580-M583 PolarHBondContact O-N 3.01Å; R580-Y584 HydrophobicContact CG-CE2 3.98Å; R580-Y584 PolarHBondContact O-N 3.36Å; R580-D613 IonicContact NH1-OD2 2.7Å; R580-D613 PolarHBondContact NH1-OD2 3.18Å; R580-V614 HydrophobicContact CB-CG2 4.29Å; R580-A617 HydrophobicContact CG-CB 3.62Å
581	S	91.9	Very high	91.3	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-54.8	-49.8	168.3	-178.8	0	0	0	0	110.3	A549 I577 L578 M583 Y584 T585	A549-S581 PolarHBondContact O-OG 3.21Å; I577-S581 PolarHBondContact O-N 3.11Å; L578-S581 WeakPolarHBondContact O-CA 3.36Å; L578-S581 VanDerWaalsContact O-CB 3.22Å; L578-S581 WeakPolarHBondContact O-CB 3.13Å; L578-S581 PolarHBondContact O-N 3.21Å; L578-S581 VanDerWaalsContact O-N 3.16Å; S581-M583 VanDerWaalsContact C-N 3.26Å; S581-M583 PolarHBondContact O-N 3.42Å; S581-Y584 PolarHBondContact O-N 3.49Å; S581-T585 WeakPolarHBondContact O-CB 3.34Å; S581-T585 PolarHBondContact O-N 3.36Å; S581-T585 PolarHBondContact O-OG1 2.91Å
582	G	92.6	Very high	90.7	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-51.8	-40.4	175.7	0	0	0	0	0	113.7	L578 R579 R580 T585 V586	L578-G582 PolarHBondContact O-N 2.82Å; R579-G582 PolarHBondContact O-N 3.43Å; R580-G582 VanDerWaalsContact C-N 3.33Å; G582-T585 PolarHBondContact O-N 3.14Å; G582-V586 VanDerWaalsContact O-CG2 3.31Å; G582-V586 WeakPolarHBondContact O-CG2 3.42Å; G582-V586 PolarHBondContact O-N 2.86Å
583	M	93.9	Very high	90.1	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.005	11%	0.109	C	C	.	.	H	α-helix	trans	-66.6	-44.7	176.7	-59.9	-57.6	95.7	0	0	112.4	C571 R579 R580 S581 V586 A587 L602 V605 V614 A617 A618 S621	C571-M583 WeakPolarHBondContact SG-CE 3.33Å; R579-M583 PolarHBondContact O-N 3.44Å; R579-M583 VanDerWaalsContact O-N 3.16Å; R580-M583 PolarHBondContact O-N 3.01Å; S581-M583 VanDerWaalsContact C-N 3.26Å; S581-M583 PolarHBondContact O-N 3.42Å; M583-V586 WeakPolarHBondContact O-CB 3.46Å; M583-V586 PolarHBondContact O-N 3.44Å; M583-A587 PolarHBondContact O-N 3.49Å; M583-L602 HydrophobicContact CB-CD2 4.35Å; M583-L602 HydrophobicContact SD-CD2 3.65Å; M583-V605 HydrophobicContact CE-CB 4.33Å; M583-V605 HydrophobicContact CE-CG1 4.1Å; M583-V605 HydrophobicContact CE-CG2 4.07Å; M583-V605 HydrophobicContact SD-CB 3.87Å; M583-V605 HydrophobicContact SD-CG1 3.66Å; M583-V605 HydrophobicContact SD-CG2 4.25Å; M583-V614 HydrophobicContact CG-CG1 4.06Å; M583-A617 HydrophobicContact CB-CB 4.16Å; M583-A618 HydrophobicContact CG-CB 4.06Å; M583-A618 HydrophobicContact SD-CB 3.78Å; M583-S621 PolarHBondContact O-OG 2.92Å
584	Y	93.4	Very high	89.5	Confident	2 Å²	2	21 Å²	21	1%	0.008	11%	0.109	C	C	.	.	H	α-helix	trans	-70.8	-31.2	176.4	-60.3	-43.7	0	0	0	112.6	R580 S581 A587 M588 A617 L725 Q729	R580-Y584 HydrophobicContact CG-CE2 3.98Å; R580-Y584 PolarHBondContact O-N 3.36Å; S581-Y584 PolarHBondContact O-N 3.49Å; Y584-A587 WeakPolarHBondContact O-CB 3.21Å; Y584-A587 PolarHBondContact O-N 3.39Å; Y584-M588 WeakPolarHBondContact O-CG 3.22Å; Y584-M588 PolarHBondContact O-N 3.09Å; Y584-A617 HydrophobicContact CD1-CB 4.31Å; Y584-A617 HydrophobicContact CE1-CB 3.58Å; Y584-A617 HydrophobicContact CE2-CB 4.3Å; Y584-L725 HydrophobicContact CD1-CD1 3.8Å; Y584-L725 HydrophobicContact CE1-CD1 4.21Å; Y584-L725 HydrophobicContact CG-CD1 4.22Å; Y584-Q729 PolarHBondContact OH-NE2 3.01Å; Y584-Q729 PolarHBondContact OH-OE1 2.88Å
585	T	93.6	Very high	89.3	Confident	0 Å²	0	12.8 Å²	12.8	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-63.9	-41.2	171.4	-58.3	0	0	0	0	110.7	A553 M556 A563 L566 I567 S581 G582 A589	A553-T585 WeakPolarHBondContact CA-OG1 3.45Å; M556-T585 HydrophobicContact CB-CG2 4Å; M556-T585 HydrophobicContact CG-CG2 3.95Å; A563-T585 HydrophobicContact CB-CG2 4.44Å; L566-T585 HydrophobicContact CD2-CG2 4.37Å; I567-T585 HydrophobicContact CD1-CG2 4.18Å; I567-T585 HydrophobicContact CG1-CG2 3.68Å; S581-T585 WeakPolarHBondContact O-CB 3.34Å; S581-T585 PolarHBondContact O-N 3.36Å; S581-T585 PolarHBondContact O-OG1 2.91Å; G582-T585 PolarHBondContact O-N 3.14Å; T585-A589 WeakPolarHBondContact O-CB 3.31Å; T585-A589 PolarHBondContact O-N 3.49Å
586	V	93.5	Very high	89.1	Confident	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-59	-47	169.1	172.4	0	0	0	0	110.8	I567 G582 M583 Y590 A598 L602 I625	I567-V586 HydrophobicContact CB-CG2 4.33Å; I567-V586 HydrophobicContact CD1-CB 4.39Å; I567-V586 HydrophobicContact CD1-CG2 3.68Å; I567-V586 HydrophobicContact CG1-CG2 3.93Å; I567-V586 HydrophobicContact CG2-CG2 3.45Å; I567-V586 VanDerWaalsContact CG2-CG2 3.45Å; G582-V586 VanDerWaalsContact O-CG2 3.31Å; G582-V586 WeakPolarHBondContact O-CG2 3.42Å; G582-V586 PolarHBondContact O-N 2.86Å; M583-V586 WeakPolarHBondContact O-CB 3.46Å; M583-V586 PolarHBondContact O-N 3.44Å; V586-Y590 HydrophobicContact CG1-CD2 4.33Å; V586-Y590 WeakPolarHBondContact O-CB 3.13Å; V586-Y590 WeakPolarHBondContact O-CD2 3.16Å; V586-Y590 PolarHBondContact O-N 3.13Å; V586-Y590 VanDerWaalsContact O-N 3.11Å; V586-A598 HydrophobicContact CG1-CB 3.92Å; V586-L602 HydrophobicContact CB-CD2 4.15Å; V586-L602 HydrophobicContact CG1-CD1 4.03Å; V586-L602 HydrophobicContact CG1-CD2 3.89Å; V586-L602 HydrophobicContact CG1-CG 3.87Å; V586-I625 HydrophobicContact CG1-CD1 4.11Å
587	A	91.9	Very high	88.8	Confident	0 Å²	0	17 Å²	17	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-57.5	-51.8	179.8	0	0	0	0	0	112.2	M583 Y584 C591 F624	M583-A587 PolarHBondContact O-N 3.49Å; Y584-A587 WeakPolarHBondContact O-CB 3.21Å; Y584-A587 PolarHBondContact O-N 3.39Å; A587-C591 PolarHBondContact O-N 2.86Å; A587-C591 PolarHBondContact O-SG 3.31Å; A587-F624 HydrophobicContact CB-CB 4.03Å; A587-F624 HydrophobicContact CB-CD2 4.28Å; A587-F624 HydrophobicContact CB-CG 4.46Å
588	M	90.3	Very high	88.7	Confident	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-71.8	-36.9	-176.5	-66.6	-57.7	101	0	0	113.2	A553 Y557 G558 Y584 Y590 F624 V721 L725	A553-M588 VanDerWaalsContact O-CB 3.26Å; A553-M588 WeakPolarHBondContact O-CB 3.12Å; Y557-M588 WeakPolarHBondContact CA-O 3.22Å; Y557-M588 HydrophobicContact CD2-SD 4.13Å; G558-M588 PolarHBondContact N-O 3.39Å; Y584-M588 WeakPolarHBondContact O-CG 3.22Å; Y584-M588 PolarHBondContact O-N 3.09Å; M588-Y590 VanDerWaalsContact C-N 3.35Å; M588-F624 HydrophobicContact CE-CB 4.23Å; M588-F624 HydrophobicContact CE-CD1 3.85Å; M588-F624 HydrophobicContact CE-CD2 4.3Å; M588-F624 HydrophobicContact CE-CE1 4.26Å; M588-F624 HydrophobicContact CE-CG 3.88Å; M588-V721 HydrophobicContact CE-CG1 3.72Å; M588-V721 HydrophobicContact SD-CG1 3.82Å; M588-L725 HydrophobicContact CE-CB 4.46Å; M588-L725 HydrophobicContact CE-CD1 4.34Å; M588-L725 HydrophobicContact CE-CD2 3.97Å; M588-L725 HydrophobicContact CE-CG 4.48Å; M588-L725 HydrophobicContact CG-CD2 3.99Å; M588-L725 HydrophobicContact SD-CD2 3.82Å
589	A	90.4	Very high	88.6	Confident	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-66.6	-36.4	176.8	0	0	0	0	0	112.3	M556 M560 A563 T585	M556-A589 WeakPolarHBondContact O-CA 3.45Å; M560-A589 VanDerWaalsContact CA-O 3.25Å; M560-A589 WeakPolarHBondContact CA-O 3.4Å; M560-A589 WeakPolarHBondContact CG-O 3.19Å; M560-A589 PolarHBondContact N-O 3.34Å; A563-A589 HydrophobicContact CB-CB 3.67Å; T585-A589 WeakPolarHBondContact O-CB 3.31Å; T585-A589 PolarHBondContact O-N 3.49Å
590	Y	88.5	Confident	88.5	Confident	1 Å²	1	25 Å²	25	0%	0.004	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	16.7	-175.8	-71.4	-81.7	0	0	0	114.5	M560 E561 D564 V586 M588 G592 S593 N595 A598	M560-Y590 HydrophobicContact CB-CD1 4.39Å; M560-Y590 HydrophobicContact CB-CE1 4.11Å; M560-Y590 HydrophobicContact CG-CD1 4.47Å; E561-Y590 WeakPolarHBondContact CA-OH 3.47Å; D564-Y590 PolarHBondContact OD2-OH 2.93Å; V586-Y590 HydrophobicContact CG1-CD2 4.33Å; V586-Y590 WeakPolarHBondContact O-CB 3.13Å; V586-Y590 WeakPolarHBondContact O-CD2 3.16Å; V586-Y590 PolarHBondContact O-N 3.13Å; V586-Y590 VanDerWaalsContact O-N 3.11Å; M588-Y590 VanDerWaalsContact C-N 3.35Å; Y590-G592 PolarHBondContact O-N 2.89Å; Y590-S593 WeakPolarHBondContact CB-OG 3.48Å; Y590-S593 VanDerWaalsContact O-CB 3.27Å; Y590-S593 WeakPolarHBondContact O-CB 3.4Å; Y590-S593 PolarHBondContact O-N 3.44Å; Y590-S593 PolarHBondContact O-OG 3.01Å; Y590-N595 HydrophobicContact CD1-CB 3.85Å; Y590-N595 HydrophobicContact CE1-CB 4.11Å; Y590-A598 HydrophobicContact CD1-CB 4.15Å; Y590-A598 HydrophobicContact CD2-CB 3.77Å; Y590-A598 HydrophobicContact CE2-CB 4.19Å; Y590-A598 HydrophobicContact CG-CB 3.74Å
591	C	85.1	Confident	88.3	Confident	12 Å²	12	26.7 Å²	26.7	8%	0.081	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46	121.9	179.3	-91.6	0	0	0	0	113.4	Y557 A587 S593 F624 F627	Y557-C591 HydrophobicContact CE2-CB 4.26Å; A587-C591 PolarHBondContact O-N 2.86Å; A587-C591 PolarHBondContact O-SG 3.31Å; C591-S593 PolarHBondContact O-N 3.36Å; C591-S593 VanDerWaalsContact O-N 3.09Å; C591-F624 WeakPolarHBondContact CA-O 3.34Å; C591-F627 HydrophobicContact CB-CE1 4.34Å
592	G	78.5	Confident	88.2	Confident	1 Å²	1	26.8 Å²	26.8	1%	0.01	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.1	14.3	177.9	0	0	0	0	0	116	Y590 F624 I625 R628	Y590-G592 PolarHBondContact O-N 2.89Å; G592-F624 PolarHBondContact N-O 3.1Å; G592-I625 WeakPolarHBondContact CA-O 3.44Å; G592-R628 WeakPolarHBondContact O-CB 3.4Å; G592-R628 WeakPolarHBondContact O-CD 3.42Å; G592-R628 PolarHBondContact O-NH1 2.99Å
593	S	78.8	Confident	88.1	Confident	26 Å²	26	29.5 Å²	29.5	18%	0.182	14%	0.141	C	C	.	.			trans	-87.7	-23	-175.7	70	0	0	0	0	114.9	Y590 C591 N595	Y590-S593 WeakPolarHBondContact CB-OG 3.48Å; Y590-S593 VanDerWaalsContact O-CB 3.27Å; Y590-S593 WeakPolarHBondContact O-CB 3.4Å; Y590-S593 PolarHBondContact O-N 3.44Å; Y590-S593 PolarHBondContact O-OG 3.01Å; C591-S593 PolarHBondContact O-N 3.36Å; C591-S593 VanDerWaalsContact O-N 3.09Å; S593-N595 PolarHBondContact O-N 3.47Å; S593-N595 PolarHBondContact OG-N 3.48Å
594	G	77.5	Confident	88	Confident	19 Å²	19	35.4 Å²	35.4	20%	0.196	17%	0.169	C	C	.	.			trans	62	16	-174.1	0	0	0	0	0	115.7	N596 I625	G594-N596 PolarHBondContact O-N 3.38Å; G594-I625 PolarHBondContact N-O 2.9Å
595	N	84.4	Confident	87.9	Confident	16 Å²	16	36.3 Å²	36.3	9%	0.086	17%	0.174	C	C	.	.			trans	-68.6	119.8	-172.2	-171	-35.1	0	0	0	112.7	Y590 S593 K597 A598 I599	Y590-N595 HydrophobicContact CD1-CB 3.85Å; Y590-N595 HydrophobicContact CE1-CB 4.11Å; S593-N595 PolarHBondContact O-N 3.47Å; S593-N595 PolarHBondContact OG-N 3.48Å; N595-K597 VanDerWaalsContact C-N 3.26Å; N595-K597 PolarHBondContact O-N 2.98Å; N595-K597 VanDerWaalsContact OD1-CB 3.26Å; N595-K597 WeakPolarHBondContact OD1-CB 3.47Å; N595-K597 PolarHBondContact OD1-N 3.41Å; N595-A598 PolarHBondContact O-N 2.94Å; N595-A598 VanDerWaalsContact O-N 3.15Å; N595-I599 PolarHBondContact O-N 2.95Å
596	N	85.9	Confident	87.6	Confident	114 Å²	114	36.5 Å²	36.5	61%	0.61	18%	0.176	S	C	*	.	H	α-helix	trans	-57.5	-30.6	179.9	-72.4	-36	0	0	0	114.1	G594 R600	G594-N596 PolarHBondContact O-N 3.38Å; N596-R600 VanDerWaalsContact O-CB 3.23Å; N596-R600 WeakPolarHBondContact O-CB 3.36Å; N596-R600 PolarHBondContact O-N 2.99Å
597	K	86.3	Confident	87.4	Confident	100 Å²	100	41.7 Å²	41.7	44%	0.435	21%	0.207	S	C	.	.	H	α-helix	trans	-61.5	-47.5	176.3	-172.9	-173.3	-176.7	-174	0	111	D564 N595 R601	D564-K597 WeakPolarHBondContact OD2-CE 3.26Å; D564-K597 IonicContact OD2-NZ 3.21Å; D564-K597 PolarHBondContact OD2-NZ 3.21Å; N595-K597 VanDerWaalsContact C-N 3.26Å; N595-K597 PolarHBondContact O-N 2.98Å; N595-K597 VanDerWaalsContact OD1-CB 3.26Å; N595-K597 WeakPolarHBondContact OD1-CB 3.47Å; N595-K597 PolarHBondContact OD1-N 3.41Å; K597-R601 PolarHBondContact O-N 3.18Å; K597-R601 VanDerWaalsContact O-N 3.07Å
598	A	88.8	Confident	87.3	Confident	0 Å²	0	45 Å²	45	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-67.2	-47	179	0	0	0	0	0	111.3	V586 Y590 N595 R600 R601 L602 I625	V586-A598 HydrophobicContact CG1-CB 3.92Å; Y590-A598 HydrophobicContact CD1-CB 4.15Å; Y590-A598 HydrophobicContact CD2-CB 3.77Å; Y590-A598 HydrophobicContact CE2-CB 4.19Å; Y590-A598 HydrophobicContact CG-CB 3.74Å; N595-A598 PolarHBondContact O-N 2.94Å; N595-A598 VanDerWaalsContact O-N 3.15Å; A598-R600 VanDerWaalsContact C-N 3.34Å; A598-R600 PolarHBondContact O-N 3.18Å; A598-R601 PolarHBondContact O-N 3.34Å; A598-L602 WeakPolarHBondContact O-CG 3.18Å; A598-L602 PolarHBondContact O-N 3.2Å; A598-I625 HydrophobicContact CB-CD1 3.8Å
599	I	89.6	Confident	87.4	Confident	20 Å²	20	46 Å²	46	10%	0.103	24%	0.235	C	C	.	.	H	α-helix	trans	-58.1	-45.6	177.4	-63	164.8	0	0	0	110.9	N595 R601 L602 L603 L622 I625 L626	N595-I599 PolarHBondContact O-N 2.95Å; I599-R601 PolarHBondContact O-N 3.33Å; I599-L602 PolarHBondContact O-N 3.32Å; I599-L603 HydrophobicContact CG2-CD1 3.8Å; I599-L603 HydrophobicContact CG2-CG 4.32Å; I599-L603 WeakPolarHBondContact O-CB 3.21Å; I599-L603 WeakPolarHBondContact O-CG 3.49Å; I599-L603 PolarHBondContact O-N 2.67Å; I599-L622 HydrophobicContact CG2-CD2 4.15Å; I599-I625 HydrophobicContact CD1-CG2 4.25Å; I599-I625 HydrophobicContact CG1-CG2 4.01Å; I599-L626 HydrophobicContact CD1-CD2 3.82Å
600	R	90.4	Very high	87.5	Confident	208 Å²	208	52.3 Å²	52.3	79%	0.785	27%	0.274	S	S	*	.	H	α-helix	trans	-63.3	-40	177.3	-176	175.8	177.8	173.7	-0.6	112.6	N596 A598 H604	N596-R600 VanDerWaalsContact O-CB 3.23Å; N596-R600 WeakPolarHBondContact O-CB 3.36Å; N596-R600 PolarHBondContact O-N 2.99Å; A598-R600 VanDerWaalsContact C-N 3.34Å; A598-R600 PolarHBondContact O-N 3.18Å; R600-H604 WeakPolarHBondContact O-CB 3.39Å; R600-H604 PolarHBondContact O-N 3.02Å; R600-H604 VanDerWaalsContact O-N 3.09Å
601	R	89.2	Confident	87.7	Confident	41 Å²	41	54.8 Å²	54.8	16%	0.155	29%	0.287	C	S	.	.	H	α-helix	trans	-64.3	-46	176.5	-165.3	-171.1	-79.7	133.9	-12.9	110.9	D564 E568 K597 A598 I599 H604 V605	D564-R601 IonicContact OD1-CZ 3.26Å; D564-R601 IonicContact OD1-NH1 2.71Å; D564-R601 PolarHBondContact OD1-NH1 3.2Å; D564-R601 IonicContact OD1-NH2 3.91Å; D564-R601 PolarHBondContact OD1-NH2 2.79Å; E568-R601 IonicContact OE1-CZ 3.13Å; E568-R601 IonicContact OE1-NE 3.69Å; E568-R601 IonicContact OE1-NH2 2.68Å; E568-R601 PolarHBondContact OE1-NH2 3.05Å; K597-R601 PolarHBondContact O-N 3.18Å; K597-R601 VanDerWaalsContact O-N 3.07Å; A598-R601 PolarHBondContact O-N 3.34Å; I599-R601 PolarHBondContact O-N 3.33Å; R601-H604 PolarHBondContact O-N 2.98Å; R601-V605 WeakPolarHBondContact O-CG2 3.14Å; R601-V605 PolarHBondContact O-N 2.77Å
602	L	89.9	Confident	88	Confident	1 Å²	1	56.8 Å²	56.8	1%	0.005	30%	0.297	C	S	.	.	H	α-helix	trans	-62.3	-48.9	177.1	-68.6	174.4	0	0	0	112.5	M583 V586 A598 I599 H604 V605 A606 L622 I625	M583-L602 HydrophobicContact CB-CD2 4.35Å; M583-L602 HydrophobicContact SD-CD2 3.65Å; V586-L602 HydrophobicContact CB-CD2 4.15Å; V586-L602 HydrophobicContact CG1-CD1 4.03Å; V586-L602 HydrophobicContact CG1-CD2 3.89Å; V586-L602 HydrophobicContact CG1-CG 3.87Å; A598-L602 WeakPolarHBondContact O-CG 3.18Å; A598-L602 PolarHBondContact O-N 3.2Å; I599-L602 PolarHBondContact O-N 3.32Å; L602-H604 VanDerWaalsContact C-N 3.29Å; L602-H604 PolarHBondContact O-N 3.01Å; L602-V605 PolarHBondContact O-N 3.02Å; L602-A606 WeakPolarHBondContact O-CB 3.49Å; L602-A606 PolarHBondContact O-N 3.21Å; L602-L622 HydrophobicContact CB-CD2 4.28Å; L602-L622 HydrophobicContact CD1-CD2 4.03Å; L602-I625 HydrophobicContact CD1-CD1 3.56Å
603	L	90.5	Very high	88.6	Confident	57 Å²	57	58.6 Å²	58.6	30%	0.298	31%	0.307	S	S	.	.	H	α-helix	trans	-62.5	-35.3	179.8	-72.8	174.3	0	0	0	112.4	I599 L622 V636 L640	I599-L603 HydrophobicContact CG2-CD1 3.8Å; I599-L603 HydrophobicContact CG2-CG 4.32Å; I599-L603 WeakPolarHBondContact O-CB 3.21Å; I599-L603 WeakPolarHBondContact O-CG 3.49Å; I599-L603 PolarHBondContact O-N 2.67Å; L603-L622 HydrophobicContact CD2-CD1 3.97Å; L603-V636 HydrophobicContact CD1-CG1 4.38Å; L603-V636 HydrophobicContact CD2-CG1 4.34Å; L603-L640 HydrophobicContact CD2-CD1 4.03Å
604	H	91.3	Very high	89.2	Confident	126 Å²	126	57.4 Å²	57.4	58%	0.583	30%	0.298	S	S	*	.	H	α-helix	trans	-61.5	-53.6	172	-176.2	-70.2	0	0	0	111	R600 R601 L602 A606 V607 S608	R600-H604 WeakPolarHBondContact O-CB 3.39Å; R600-H604 PolarHBondContact O-N 3.02Å; R600-H604 VanDerWaalsContact O-N 3.09Å; R601-H604 PolarHBondContact O-N 2.98Å; L602-H604 VanDerWaalsContact C-N 3.29Å; L602-H604 PolarHBondContact O-N 3.01Å; H604-A606 VanDerWaalsContact C-N 3.34Å; H604-A606 PolarHBondContact O-N 3.27Å; H604-V607 PolarHBondContact O-N 2.9Å; H604-V607 VanDerWaalsContact O-N 3.1Å; H604-S608 PolarHBondContact CE1-OG 2.93Å; H604-S608 PolarHBondContact ND1-OG 3.18Å; H604-S608 VanDerWaalsContact ND1-OG 3.08Å; H604-S608 WeakPolarHBondContact O-CB 3.5Å; H604-S608 PolarHBondContact O-N 3.39Å; H604-S608 PolarHBondContact O-OG 3.03Å; H604-S608 VanDerWaalsContact O-OG 3.11Å
605	V	90.5	Very high	90	Very high	21 Å²	21	58 Å²	58	13%	0.127	29%	0.294	C	S	.	.	H	α-helix	trans	-63.2	-37.3	-177.2	176.4	0	0	0	0	112.2	M583 R601 L602 V607 S608 D609 V614	M583-V605 HydrophobicContact CE-CB 4.33Å; M583-V605 HydrophobicContact CE-CG1 4.1Å; M583-V605 HydrophobicContact CE-CG2 4.07Å; M583-V605 HydrophobicContact SD-CB 3.87Å; M583-V605 HydrophobicContact SD-CG1 3.66Å; M583-V605 HydrophobicContact SD-CG2 4.25Å; R601-V605 WeakPolarHBondContact O-CG2 3.14Å; R601-V605 PolarHBondContact O-N 2.77Å; L602-V605 PolarHBondContact O-N 3.02Å; V605-V607 PolarHBondContact O-N 3.41Å; V605-V607 VanDerWaalsContact O-N 3.17Å; V605-S608 PolarHBondContact O-N 3Å; V605-D609 HydrophobicContact CG1-CB 4.22Å; V605-D609 PolarHBondContact O-N 2.98Å; V605-V614 HydrophobicContact CG1-CG1 3.76Å
606	A	89.4	Confident	90.4	Very high	4 Å²	4	58 Å²	58	3%	0.033	29%	0.293	C	S	.	.	H	α-helix	trans	-59.4	-25.7	175.5	0	0	0	0	0	113.9	L602 H604 R615 A618 V619	L602-A606 WeakPolarHBondContact O-CB 3.49Å; L602-A606 PolarHBondContact O-N 3.21Å; H604-A606 VanDerWaalsContact C-N 3.34Å; H604-A606 PolarHBondContact O-N 3.27Å; A606-R615 PolarHBondContact O-NE 2.96Å; A606-A618 HydrophobicContact CB-CB 3.95Å; A606-V619 HydrophobicContact CB-CG2 3.86Å
607	V	88.1	Confident	90.7	Very high	109 Å²	109	52.6 Å²	52.6	66%	0.661	26%	0.264	S	S	*	.	H	α-helix	trans	-98.7	-35.9	176.9	179.9	0	0	0	0	112.2	H604 V605	H604-V607 PolarHBondContact O-N 2.9Å; H604-V607 VanDerWaalsContact O-N 3.1Å; V605-V607 PolarHBondContact O-N 3.41Å; V605-V607 VanDerWaalsContact O-N 3.17Å
608	S	89.9	Confident	91.1	Very high	69 Å²	69	47.8 Å²	47.8	48%	0.483	24%	0.244	S	C	.	.	H	α-helix	trans	-91.5	-25.4	-170	72.5	0	0	0	0	115.9	H604 V605	H604-S608 PolarHBondContact CE1-OG 2.93Å; H604-S608 PolarHBondContact ND1-OG 3.18Å; H604-S608 VanDerWaalsContact ND1-OG 3.08Å; H604-S608 WeakPolarHBondContact O-CB 3.5Å; H604-S608 PolarHBondContact O-N 3.39Å; H604-S608 PolarHBondContact O-OG 3.03Å; H604-S608 VanDerWaalsContact O-OG 3.11Å; V605-S608 PolarHBondContact O-N 3Å
609	D	92.6	Very high	91.3	Very high	20 Å²	20	47.8 Å²	47.8	11%	0.107	24%	0.244	C	C	.	.			trans	-74.8	148.6	178.4	-152.3	-52	0	0	0	111.1	R579 V605 N611 V614 R615	R579-D609 IonicContact CZ-OD1 2.69Å; R579-D609 IonicContact CZ-OD2 3.69Å; R579-D609 IonicContact NE-OD2 3.57Å; R579-D609 PolarHBondContact NE-OD2 3.41Å; R579-D609 IonicContact NH2-OD1 2.69Å; R579-D609 PolarHBondContact NH2-OD1 3.33Å; R579-D609 IonicContact NH2-OD2 3.72Å; R579-D609 PolarHBondContact NH2-OD2 2.89Å; R579-D609 VanDerWaalsContact NH2-OD2 3.13Å; V605-D609 HydrophobicContact CG1-CB 4.22Å; V605-D609 PolarHBondContact O-N 2.98Å; D609-N611 PolarHBondContact OD1-N 3.44Å; D609-V614 HydrophobicContact CB-CB 4.45Å; D609-V614 HydrophobicContact CB-CG1 4.37Å; D609-R615 HydrophobicContact CB-CG 4.29Å; D609-R615 WeakPolarHBondContact O-CD 3.26Å
610	V	91.6	Very high	91.5	Very high	134 Å²	134	46.9 Å²	46.9	81%	0.812	24%	0.239	S	C	*	.	S	Bend	trans	-87.8	-16.6	176	-63.1	0	0	0	0	112.6
611	N	93.4	Very high	91.6	Very high	52 Å²	52	37 Å²	37	28%	0.278	20%	0.201	S	C	.	.			trans	-95.9	119.6	-177	-175.7	-73.2	0	0	0	112.3	P576 D609 D613 V614 R615	P576-N611 HydrophobicContact CB-CB 3.99Å; P576-N611 HydrophobicContact CG-CB 4.33Å; D609-N611 PolarHBondContact OD1-N 3.44Å; N611-D613 VanDerWaalsContact C-N 3.33Å; N611-D613 PolarHBondContact O-N 3.49Å; N611-D613 WeakPolarHBondContact OD1-CB 3.37Å; N611-D613 PolarHBondContact OD1-N 3.49Å; N611-V614 HydrophobicContact CB-CG2 4.02Å; N611-V614 WeakPolarHBondContact O-CB 3.44Å; N611-V614 PolarHBondContact O-N 3.33Å; N611-V614 VanDerWaalsContact O-N 3.14Å; N611-V614 PolarHBondContact OD1-N 2.7Å; N611-R615 WeakPolarHBondContact O-CG 3.45Å; N611-R615 PolarHBondContact O-N 2.97Å; N611-R615 VanDerWaalsContact O-N 3.14Å
612	D	91.9	Very high	91.7	Very high	55 Å²	55	35 Å²	35	29%	0.294	19%	0.194	S	C	.	.	H	α-helix	trans	-70.4	-20.9	-172.6	-68.9	-39.6	0	0	0	115.2	R615 R616 N645 H647	D612-R615 WeakPolarHBondContact OD1-CD 3.49Å; D612-R615 IonicContact OD1-NH1 2.67Å; D612-R615 PolarHBondContact OD1-NH1 3.42Å; D612-R615 VanDerWaalsContact OD1-NH1 3.15Å; D612-R616 WeakPolarHBondContact O-CB 3.3Å; D612-R616 PolarHBondContact O-N 3.16Å; D612-N645 PolarHBondContact OD1-ND2 3.37Å; D612-H647 HydrophobicContact CB-CB 3.88Å
613	D	90.1	Very high	91.7	Very high	39 Å²	39	35 Å²	35	21%	0.209	19%	0.194	C	C	.	.	H	α-helix	trans	-71.3	-36.5	171.1	-87.8	-8.6	0	0	0	111.7	R580 N611 R616 A617 F732	R580-D613 IonicContact NH1-OD2 2.7Å; R580-D613 PolarHBondContact NH1-OD2 3.18Å; N611-D613 VanDerWaalsContact C-N 3.33Å; N611-D613 PolarHBondContact O-N 3.49Å; N611-D613 WeakPolarHBondContact OD1-CB 3.37Å; N611-D613 PolarHBondContact OD1-N 3.49Å; D613-R616 VanDerWaalsContact CG-NH2 3.29Å; D613-R616 IonicContact OD1-CZ 2.65Å; D613-R616 IonicContact OD1-NH1 3.13Å; D613-R616 PolarHBondContact OD1-NH1 3.33Å; D613-R616 IonicContact OD1-NH2 3.94Å; D613-R616 PolarHBondContact OD1-NH2 3.04Å; D613-R616 IonicContact OD2-NH2 2.99Å; D613-A617 WeakPolarHBondContact O-CB 3.14Å; D613-A617 PolarHBondContact O-N 3.47Å; D613-A617 VanDerWaalsContact O-N 3.08Å; D613-F732 WeakPolarHBondContact OD2-CZ 3.14Å
614	V	92.8	Very high	91.8	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-67.3	-43.6	174.1	-173.9	0	0	0	0	109.6	P576 R579 R580 M583 V605 D609 N611 A617 A618	P576-V614 HydrophobicContact CB-CG2 4.1Å; P576-V614 VanDerWaalsContact O-CG2 3.25Å; P576-V614 WeakPolarHBondContact O-CG2 3.37Å; R579-V614 HydrophobicContact CB-CG1 4.22Å; R579-V614 HydrophobicContact CB-CG2 4.27Å; R580-V614 HydrophobicContact CB-CG2 4.29Å; M583-V614 HydrophobicContact CG-CG1 4.06Å; V605-V614 HydrophobicContact CG1-CG1 3.76Å; D609-V614 HydrophobicContact CB-CB 4.45Å; D609-V614 HydrophobicContact CB-CG1 4.37Å; N611-V614 HydrophobicContact CB-CG2 4.02Å; N611-V614 WeakPolarHBondContact O-CB 3.44Å; N611-V614 PolarHBondContact O-N 3.33Å; N611-V614 VanDerWaalsContact O-N 3.14Å; N611-V614 PolarHBondContact OD1-N 2.7Å; V614-A617 PolarHBondContact O-N 2.98Å; V614-A618 WeakPolarHBondContact O-CB 3.48Å; V614-A618 PolarHBondContact O-N 2.95Å
615	R	93.7	Very high	91.7	Very high	31 Å²	31	26.3 Å²	26.3	12%	0.117	15%	0.152	C	C	.	.	H	α-helix	trans	-63.8	-40.9	177.9	-60.4	171.8	77.2	-178.3	13.1	112.3	A606 D609 N611 D612 A618 V619 N645 V648	A606-R615 PolarHBondContact O-NE 2.96Å; D609-R615 HydrophobicContact CB-CG 4.29Å; D609-R615 WeakPolarHBondContact O-CD 3.26Å; N611-R615 WeakPolarHBondContact O-CG 3.45Å; N611-R615 PolarHBondContact O-N 2.97Å; N611-R615 VanDerWaalsContact O-N 3.14Å; D612-R615 WeakPolarHBondContact OD1-CD 3.49Å; D612-R615 IonicContact OD1-NH1 2.67Å; D612-R615 PolarHBondContact OD1-NH1 3.42Å; D612-R615 VanDerWaalsContact OD1-NH1 3.15Å; R615-A618 PolarHBondContact O-N 3.28Å; R615-V619 WeakPolarHBondContact O-CG2 3.24Å; R615-V619 PolarHBondContact O-N 3.15Å; R615-N645 PolarHBondContact NH1-ND2 2.98Å; R615-V648 HydrophobicContact CB-CG2 4.24Å
616	R	93.1	Very high	91.6	Very high	17 Å²	17	25.5 Å²	25.5	6%	0.064	15%	0.147	C	C	.	.	H	α-helix	trans	-57.3	-55.6	171.6	180	-180	67.6	-119.4	-11.8	110.5	D612 D613 A618 V619 E620 H647 Y650	D612-R616 WeakPolarHBondContact O-CB 3.3Å; D612-R616 PolarHBondContact O-N 3.16Å; D613-R616 VanDerWaalsContact CG-NH2 3.29Å; D613-R616 IonicContact OD1-CZ 2.65Å; D613-R616 IonicContact OD1-NH1 3.13Å; D613-R616 PolarHBondContact OD1-NH1 3.33Å; D613-R616 IonicContact OD1-NH2 3.94Å; D613-R616 PolarHBondContact OD1-NH2 3.04Å; D613-R616 IonicContact OD2-NH2 2.99Å; R616-A618 VanDerWaalsContact C-N 3.3Å; R616-A618 PolarHBondContact O-N 3.48Å; R616-V619 PolarHBondContact O-N 2.98Å; R616-V619 VanDerWaalsContact O-N 3.14Å; R616-E620 VanDerWaalsContact CD-OE1 3.29Å; R616-E620 WeakPolarHBondContact CD-OE1 3.38Å; R616-E620 HydrophobicContact CG-CG 4.26Å; R616-E620 WeakPolarHBondContact CG-OE1 3.39Å; R616-E620 IonicContact NE-OE1 2.65Å; R616-E620 WeakPolarHBondContact O-CG 3.43Å; R616-E620 PolarHBondContact O-N 3.18Å; R616-H647 HydrophobicContact CB-CB 4.41Å; R616-Y650 VanDerWaalsContact CD-CD1 3.42Å; R616-Y650 HydrophobicContact CG-CD1 3.95Å; R616-Y650 HydrophobicContact CG-CE1 4.48Å
617	A	92.8	Very high	91.5	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-58.5	-39.5	-179	0	0	0	0	0	112.8	R580 M583 Y584 D613 V614 V619 E620 S621	R580-A617 HydrophobicContact CG-CB 3.62Å; M583-A617 HydrophobicContact CB-CB 4.16Å; Y584-A617 HydrophobicContact CD1-CB 4.31Å; Y584-A617 HydrophobicContact CE1-CB 3.58Å; Y584-A617 HydrophobicContact CE2-CB 4.3Å; D613-A617 WeakPolarHBondContact O-CB 3.14Å; D613-A617 PolarHBondContact O-N 3.47Å; D613-A617 VanDerWaalsContact O-N 3.08Å; V614-A617 PolarHBondContact O-N 2.98Å; A617-V619 VanDerWaalsContact C-N 3.32Å; A617-V619 PolarHBondContact O-N 3.17Å; A617-E620 PolarHBondContact O-N 3.27Å; A617-S621 VanDerWaalsContact O-CB 3.31Å; A617-S621 WeakPolarHBondContact O-CB 3.36Å; A617-S621 PolarHBondContact O-N 3.38Å; A617-S621 PolarHBondContact O-OG 3.32Å
618	A	93.4	Very high	91.3	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-62.3	-36.2	177.9	0	0	0	0	0	112.9	M583 A606 V614 R615 R616	M583-A618 HydrophobicContact CG-CB 4.06Å; M583-A618 HydrophobicContact SD-CB 3.78Å; A606-A618 HydrophobicContact CB-CB 3.95Å; V614-A618 WeakPolarHBondContact O-CB 3.48Å; V614-A618 PolarHBondContact O-N 2.95Å; R615-A618 PolarHBondContact O-N 3.28Å; R616-A618 VanDerWaalsContact C-N 3.3Å; R616-A618 PolarHBondContact O-N 3.48Å
619	V	93.8	Very high	91	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-79.6	-41.6	175.6	-177.6	0	0	0	0	111.7	A606 R615 R616 A617 S621 L622 L640 V648 A652 A655	A606-V619 HydrophobicContact CB-CG2 3.86Å; R615-V619 WeakPolarHBondContact O-CG2 3.24Å; R615-V619 PolarHBondContact O-N 3.15Å; R616-V619 PolarHBondContact O-N 2.98Å; R616-V619 VanDerWaalsContact O-N 3.14Å; A617-V619 VanDerWaalsContact C-N 3.32Å; A617-V619 PolarHBondContact O-N 3.17Å; V619-S621 PolarHBondContact O-N 2.97Å; V619-L622 HydrophobicContact CG1-CD1 4.38Å; V619-L622 VanDerWaalsContact O-CB 3.29Å; V619-L622 WeakPolarHBondContact O-CB 3.42Å; V619-L622 WeakPolarHBondContact O-CG 3.5Å; V619-L622 PolarHBondContact O-N 3.43Å; V619-L640 HydrophobicContact CG1-CD1 3.89Å; V619-L640 HydrophobicContact CG2-CD1 4.1Å; V619-V648 HydrophobicContact CG2-CG1 4.28Å; V619-A652 HydrophobicContact CG1-CB 4.19Å; V619-A655 WeakPolarHBondContact O-CB 3.49Å
620	E	93.3	Very high	90.5	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-54.4	-40	173.6	-72.1	176.9	-179.4	0	0	111.7	R616 A617 L622 G623 Y650 M654	R616-E620 VanDerWaalsContact CD-OE1 3.29Å; R616-E620 WeakPolarHBondContact CD-OE1 3.38Å; R616-E620 HydrophobicContact CG-CG 4.26Å; R616-E620 WeakPolarHBondContact CG-OE1 3.39Å; R616-E620 IonicContact NE-OE1 2.65Å; R616-E620 WeakPolarHBondContact O-CG 3.43Å; R616-E620 PolarHBondContact O-N 3.18Å; A617-E620 PolarHBondContact O-N 3.27Å; E620-L622 PolarHBondContact O-N 3.4Å; E620-L622 VanDerWaalsContact O-N 3.16Å; E620-G623 PolarHBondContact O-N 3.48Å; E620-Y650 VanDerWaalsContact OE1-CE1 3.32Å; E620-Y650 WeakPolarHBondContact OE1-CE1 3.34Å; E620-M654 HydrophobicContact CG-CB 3.98Å
621	S	92.7	Very high	90.3	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-59.1	-24.6	178.3	-62.3	0	0	0	0	114	M583 A617 V619 G623 F624 I625	M583-S621 PolarHBondContact O-OG 2.92Å; A617-S621 VanDerWaalsContact O-CB 3.31Å; A617-S621 WeakPolarHBondContact O-CB 3.36Å; A617-S621 PolarHBondContact O-N 3.38Å; A617-S621 PolarHBondContact O-OG 3.32Å; V619-S621 PolarHBondContact O-N 2.97Å; S621-G623 VanDerWaalsContact C-N 3.29Å; S621-G623 PolarHBondContact O-N 3.33Å; S621-F624 PolarHBondContact O-N 2.9Å; S621-I625 PolarHBondContact O-N 2.83Å
622	L	91.6	Very high	89.9	Confident	1 Å²	1	28.1 Å²	28.1	1%	0.005	14%	0.137	C	C	.	.	H	α-helix	trans	-63.3	-35.5	174.2	-61.4	176.2	0	0	0	111.9	I599 L602 L603 V619 E620 F624 I625 L626 V636 V637 L640	I599-L622 HydrophobicContact CG2-CD2 4.15Å; L602-L622 HydrophobicContact CB-CD2 4.28Å; L602-L622 HydrophobicContact CD1-CD2 4.03Å; L603-L622 HydrophobicContact CD2-CD1 3.97Å; V619-L622 HydrophobicContact CG1-CD1 4.38Å; V619-L622 VanDerWaalsContact O-CB 3.29Å; V619-L622 WeakPolarHBondContact O-CB 3.42Å; V619-L622 WeakPolarHBondContact O-CG 3.5Å; V619-L622 PolarHBondContact O-N 3.43Å; E620-L622 PolarHBondContact O-N 3.4Å; E620-L622 VanDerWaalsContact O-N 3.16Å; L622-F624 VanDerWaalsContact C-N 3.34Å; L622-F624 PolarHBondContact O-N 3.03Å; L622-I625 PolarHBondContact O-N 3.36Å; L622-L626 WeakPolarHBondContact O-CB 3.21Å; L622-L626 WeakPolarHBondContact O-CG 3.21Å; L622-L626 PolarHBondContact O-N 3.21Å; L622-V636 HydrophobicContact CD1-CG1 4.16Å; L622-V637 HydrophobicContact CD1-CG2 4.28Å; L622-L640 HydrophobicContact CD1-CD1 3.96Å
623	G	89.8	Confident	89.7	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-62.6	-41.4	177.6	0	0	0	0	0	112.2	E620 S621 I625 F627	E620-G623 PolarHBondContact O-N 3.48Å; S621-G623 VanDerWaalsContact C-N 3.29Å; S621-G623 PolarHBondContact O-N 3.33Å; G623-I625 PolarHBondContact O-N 3.09Å; G623-F627 PolarHBondContact O-N 2.93Å
624	F	91.2	Very high	89.7	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-71.2	-23.8	177.3	-66.9	-69.5	0	0	0	113.9	A587 M588 C591 G592 S621 L622 F627 I658 V721 V724 L725	A587-F624 HydrophobicContact CB-CB 4.03Å; A587-F624 HydrophobicContact CB-CD2 4.28Å; A587-F624 HydrophobicContact CB-CG 4.46Å; M588-F624 HydrophobicContact CE-CB 4.23Å; M588-F624 HydrophobicContact CE-CD1 3.85Å; M588-F624 HydrophobicContact CE-CD2 4.3Å; M588-F624 HydrophobicContact CE-CE1 4.26Å; M588-F624 HydrophobicContact CE-CG 3.88Å; C591-F624 WeakPolarHBondContact CA-O 3.34Å; G592-F624 PolarHBondContact N-O 3.1Å; S621-F624 PolarHBondContact O-N 2.9Å; L622-F624 VanDerWaalsContact C-N 3.34Å; L622-F624 PolarHBondContact O-N 3.03Å; F624-F627 WeakPolarHBondContact O-CD1 3.2Å; F624-F627 WeakPolarHBondContact O-CE1 3.42Å; F624-I658 HydrophobicContact CD1-CG2 4.14Å; F624-I658 HydrophobicContact CE1-CG2 4Å; F624-I658 HydrophobicContact CE2-CD1 3.89Å; F624-I658 HydrophobicContact CZ-CD1 3.91Å; F624-I658 HydrophobicContact CZ-CG2 4.26Å; F624-V721 HydrophobicContact CD1-CG1 3.95Å; F624-V721 HydrophobicContact CE1-CG1 4.16Å; F624-V724 HydrophobicContact CE1-CB 4.44Å; F624-V724 HydrophobicContact CE1-CG1 4.14Å; F624-V724 HydrophobicContact CZ-CG1 4.06Å; F624-L725 HydrophobicContact CE1-CB 4.34Å; F624-L725 HydrophobicContact CE2-CD1 3.8Å; F624-L725 HydrophobicContact CZ-CB 3.88Å; F624-L725 HydrophobicContact CZ-CD1 4.03Å
625	I	90.2	Very high	89.5	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-86.8	-36	175.1	-64	177	0	0	0	111.7	V586 G592 G594 A598 I599 L602 S621 L622 G623	V586-I625 HydrophobicContact CG1-CD1 4.11Å; G592-I625 WeakPolarHBondContact CA-O 3.44Å; G594-I625 PolarHBondContact N-O 2.9Å; A598-I625 HydrophobicContact CB-CD1 3.8Å; I599-I625 HydrophobicContact CD1-CG2 4.25Å; I599-I625 HydrophobicContact CG1-CG2 4.01Å; L602-I625 HydrophobicContact CD1-CD1 3.56Å; S621-I625 PolarHBondContact O-N 2.83Å; L622-I625 PolarHBondContact O-N 3.36Å; G623-I625 PolarHBondContact O-N 3.09Å
626	L	88.1	Confident	89.2	Confident	4 Å²	4	31.5 Å²	31.5	2%	0.021	17%	0.169	C	C	.	.	H	α-helix	trans	-96.4	-3.6	-170.4	-65.4	175.5	0	0	0	115.5	I599 L622 R628 T629 C633 C659	I599-L626 HydrophobicContact CD1-CD2 3.82Å; L622-L626 WeakPolarHBondContact O-CB 3.21Å; L622-L626 WeakPolarHBondContact O-CG 3.21Å; L622-L626 PolarHBondContact O-N 3.21Å; L626-R628 PolarHBondContact O-N 3.18Å; L626-T629 CarbonylContact O-C 3.59Å; L626-T629 VanDerWaalsContact O-C 3.27Å; L626-T629 PolarHBondContact O-N 3.27Å; L626-C633 HydrophobicContact CB-CB 4.31Å; L626-C633 HydrophobicContact CD1-CB 4.3Å; L626-C659 VanDerWaalsContact C-SG 3.56Å
627	F	87.1	Confident	89	Confident	7 Å²	7	30.7 Å²	30.7	3%	0.031	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-5.7	-178.6	75.8	-93.2	0	0	0	116.1	C591 G623 F624 C659 L709 Q710 T716 V721	C591-F627 HydrophobicContact CB-CE1 4.34Å; G623-F627 PolarHBondContact O-N 2.93Å; F624-F627 WeakPolarHBondContact O-CD1 3.2Å; F624-F627 WeakPolarHBondContact O-CE1 3.42Å; F627-C659 VanDerWaalsContact CA-SG 3.59Å; F627-L709 HydrophobicContact CB-CD1 3.87Å; F627-L709 HydrophobicContact CD1-CD1 4.05Å; F627-L709 HydrophobicContact CD2-CB 3.52Å; F627-L709 HydrophobicContact CD2-CD1 4.1Å; F627-L709 HydrophobicContact CD2-CG 4.47Å; F627-L709 HydrophobicContact CE2-CB 3.54Å; F627-L709 WeakPolarHBondContact CE2-O 3.49Å; F627-L709 HydrophobicContact CG-CB 4.07Å; F627-L709 HydrophobicContact CG-CD1 3.76Å; F627-L709 HydrophobicContact CZ-CB 4.11Å; F627-Q710 HydrophobicContact CD2-CG 3.82Å; F627-Q710 HydrophobicContact CE2-CG 3.61Å; F627-Q710 PolarHBondContact O-NE2 2.91Å; F627-T716 HydrophobicContact CE2-CG2 3.89Å; F627-T716 HydrophobicContact CZ-CG2 3.56Å; F627-V721 HydrophobicContact CZ-CG2 4.25Å
628	R	83.9	Confident	88.9	Confident	65 Å²	65	33.9 Å²	33.9	25%	0.245	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-25	167.9	-175.1	165.2	-76.5	163.7	0.2	113.1	M185 G592 L626 G714	M185-R628 PolarHBondContact O-NH1 2.65Å; G592-R628 WeakPolarHBondContact O-CB 3.4Å; G592-R628 WeakPolarHBondContact O-CD 3.42Å; G592-R628 PolarHBondContact O-NH1 2.99Å; L626-R628 PolarHBondContact O-N 3.18Å; R628-G714 PolarHBondContact NH2-O 3.24Å
629	T	84.1	Confident	88.7	Confident	53 Å²	53	40.4 Å²	40.4	33%	0.325	22%	0.222	S	C	.	.	S	Bend	trans	-131	66.2	-179.6	42.1	0	0	0	0	110.1	L626 E631 Q632	L626-T629 CarbonylContact O-C 3.59Å; L626-T629 VanDerWaalsContact O-C 3.27Å; L626-T629 PolarHBondContact O-N 3.27Å; T629-E631 PolarHBondContact O-N 3.22Å; T629-Q632 VanDerWaalsContact CB-OE1 3.27Å; T629-Q632 WeakPolarHBondContact O-CB 3.38Å; T629-Q632 PolarHBondContact O-N 3.1Å; T629-Q632 PolarHBondContact OG1-OE1 3.04Å
630	P	83.1	Confident	88.5	Confident	39 Å²	39	41.6 Å²	41.6	25%	0.253	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-26.8	-167.8	22.9	-34.6	0	0	0	114.5	Q632 C633 P634	P630-Q632 PolarHBondContact O-N 2.74Å; P630-C633 PolarHBondContact O-N 3.37Å; P630-P634 WeakPolarHBondContact O-CD 3.34Å
631	E	85.9	Confident	88.5	Confident	180 Å²	180	44 Å²	44	84%	0.841	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-24.2	174.5	-61.8	175.6	179.9	0	0	113.7	T629	T629-E631 PolarHBondContact O-N 3.22Å
632	Q	85.8	Confident	88.5	Confident	99 Å²	99	51.4 Å²	51.4	46%	0.463	28%	0.28	S	S	.	.	H	α-helix	trans	-84.4	-19.7	179.4	-64.5	176.5	-23.1	0	0	113.4	T629 P630 S635 V636	T629-Q632 VanDerWaalsContact CB-OE1 3.27Å; T629-Q632 WeakPolarHBondContact O-CB 3.38Å; T629-Q632 PolarHBondContact O-N 3.1Å; T629-Q632 PolarHBondContact OG1-OE1 3.04Å; P630-Q632 PolarHBondContact O-N 2.74Å; Q632-S635 PolarHBondContact O-OG 2.97Å; Q632-S635 VanDerWaalsContact O-OG 3.06Å; Q632-V636 WeakPolarHBondContact O-CG2 3.44Å; Q632-V636 PolarHBondContact O-N 3.38Å
633	C	87.4	Confident	88.4	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-68.7	-46.8	-179.8	-176	0	0	0	0	112.3	L626 P630 S635 V636 V637 C659	L626-C633 HydrophobicContact CB-CB 4.31Å; L626-C633 HydrophobicContact CD1-CB 4.3Å; P630-C633 PolarHBondContact O-N 3.37Å; C633-S635 VanDerWaalsContact C-N 3.35Å; C633-S635 PolarHBondContact O-N 3.16Å; C633-V636 PolarHBondContact O-N 3.49Å; C633-V637 VanDerWaalsContact O-CB 3.26Å; C633-V637 WeakPolarHBondContact O-CB 3.26Å; C633-V637 VanDerWaalsContact O-CG2 3.26Å; C633-V637 WeakPolarHBondContact O-CG2 3.5Å; C633-V637 PolarHBondContact O-N 3.14Å; C633-C659 HydrophobicContact CB-CB 3.91Å; C633-C659 WeakPolarHBondContact CB-SG 3.47Å
634	P	90.3	Very high	88.5	Confident	58 Å²	58	61.8 Å²	61.8	38%	0.377	33%	0.325	S	S	.	.	H	α-helix	trans	-53.9	-41.9	174	-29	36.1	0	0	0	115	P630 V637 S638 L656	P630-P634 WeakPolarHBondContact O-CD 3.34Å; P634-V637 PolarHBondContact O-N 2.97Å; P634-S638 WeakPolarHBondContact O-CB 3.3Å; P634-S638 PolarHBondContact O-N 3.48Å; P634-L656 HydrophobicContact CB-CD2 4.3Å; P634-L656 HydrophobicContact CG-CD2 3.97Å
635	S	89	Confident	88.5	Confident	89 Å²	89	62.1 Å²	62.1	62%	0.622	33%	0.327	S	S	*	.	H	α-helix	trans	-70.3	-37	-177	56.9	0	0	0	0	112.9	Q632 C633	Q632-S635 PolarHBondContact O-OG 2.97Å; Q632-S635 VanDerWaalsContact O-OG 3.06Å; C633-S635 VanDerWaalsContact C-N 3.35Å; C633-S635 PolarHBondContact O-N 3.16Å
636	V	86.4	Confident	88.6	Confident	49 Å²	49	65.9 Å²	65.9	30%	0.297	35%	0.351	S	S	.	.	H	α-helix	trans	-72.3	-41.3	173.6	177.4	0	0	0	0	111.4	L603 L622 Q632 C633	L603-V636 HydrophobicContact CD1-CG1 4.38Å; L603-V636 HydrophobicContact CD2-CG1 4.34Å; L622-V636 HydrophobicContact CD1-CG1 4.16Å; Q632-V636 WeakPolarHBondContact O-CG2 3.44Å; Q632-V636 PolarHBondContact O-N 3.38Å; C633-V636 PolarHBondContact O-N 3.49Å
637	V	89.1	Confident	88.8	Confident	0 Å²	0	69 Å²	69	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-84.4	-19.5	-170.3	177.3	0	0	0	0	113.3	L622 C633 P634 L639 L640 S641 A652 A655 L656	L622-V637 HydrophobicContact CD1-CG2 4.28Å; C633-V637 VanDerWaalsContact O-CB 3.26Å; C633-V637 WeakPolarHBondContact O-CB 3.26Å; C633-V637 VanDerWaalsContact O-CG2 3.26Å; C633-V637 WeakPolarHBondContact O-CG2 3.5Å; C633-V637 PolarHBondContact O-N 3.14Å; P634-V637 PolarHBondContact O-N 2.97Å; V637-L639 VanDerWaalsContact C-N 3.29Å; V637-L639 PolarHBondContact O-N 3.49Å; V637-L640 WeakPolarHBondContact O-CA 3.2Å; V637-L640 WeakPolarHBondContact O-CB 3.41Å; V637-L640 PolarHBondContact O-N 3.49Å; V637-S641 PolarHBondContact O-N 3.06Å; V637-A652 HydrophobicContact CG1-CB 3.42Å; V637-A652 VanDerWaalsContact CG1-CB 3.42Å; V637-A655 HydrophobicContact CG2-CB 4.41Å; V637-L656 HydrophobicContact CB-CD2 4.31Å; V637-L656 HydrophobicContact CB-CG 4.4Å; V637-L656 HydrophobicContact CG1-CD1 4.07Å; V637-L656 HydrophobicContact CG1-CD2 4.41Å; V637-L656 HydrophobicContact CG1-CG 3.97Å
638	S	91.3	Very high	89.1	Confident	67 Å²	67	69 Å²	69	47%	0.469	37%	0.366	S	S	.	.	H	α-helix	trans	-57.6	-36.5	-179.8	-165.5	0	0	0	0	113.9	P634 L640 S641	P634-S638 WeakPolarHBondContact O-CB 3.3Å; P634-S638 PolarHBondContact O-N 3.48Å; S638-L640 VanDerWaalsContact C-N 3.32Å; S638-S641 PolarHBondContact O-OG 3.36Å
639	L	89.3	Confident	89.6	Confident	138 Å²	138	71.6 Å²	71.6	72%	0.723	38%	0.375	S	S	*	.	H	α-helix	trans	-73.3	-26.7	176.8	-177.1	61.4	0	0	0	112.2	V637	V637-L639 VanDerWaalsContact C-N 3.29Å; V637-L639 PolarHBondContact O-N 3.49Å
640	L	89.6	Confident	90	Very high	24 Å²	24	71.8 Å²	71.8	13%	0.126	37%	0.371	C	S	.	.	H	α-helix	trans	-80.1	-31.3	-179.7	-57.7	175.9	0	0	0	111.8	L603 V619 L622 V637 S638 E642 S643 V648 A652	L603-L640 HydrophobicContact CD2-CD1 4.03Å; V619-L640 HydrophobicContact CG1-CD1 3.89Å; V619-L640 HydrophobicContact CG2-CD1 4.1Å; L622-L640 HydrophobicContact CD1-CD1 3.96Å; V637-L640 WeakPolarHBondContact O-CA 3.2Å; V637-L640 WeakPolarHBondContact O-CB 3.41Å; V637-L640 PolarHBondContact O-N 3.49Å; S638-L640 VanDerWaalsContact C-N 3.32Å; L640-E642 VanDerWaalsContact C-N 3.31Å; L640-E642 PolarHBondContact O-N 3.43Å; L640-S643 VanDerWaalsContact O-CB 3.3Å; L640-S643 WeakPolarHBondContact O-CB 3.44Å; L640-S643 PolarHBondContact O-N 2.92Å; L640-S643 PolarHBondContact O-OG 3.32Å; L640-V648 HydrophobicContact CB-CG1 4.25Å; L640-A652 HydrophobicContact CB-CB 4.35Å
641	S	92.3	Very high	90.4	Very high	50 Å²	50	70 Å²	70	35%	0.35	36%	0.359	S	S	.	.	H	α-helix	trans	-72.6	-20.5	178	65	0	0	0	0	113.9	V637 S638 R649	V637-S641 PolarHBondContact O-N 3.06Å; S638-S641 PolarHBondContact O-OG 3.36Å; S641-R649 WeakPolarHBondContact O-CD 3.43Å; S641-R649 VanDerWaalsContact O-CG 3.27Å; S641-R649 WeakPolarHBondContact O-CG 3.46Å
642	E	92.3	Very high	90.7	Very high	157 Å²	157	61.4 Å²	61.4	73%	0.734	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-5.3	173.2	-64.6	-172.2	163.2	0	0	113.5	L640	L640-E642 VanDerWaalsContact C-N 3.31Å; L640-E642 PolarHBondContact O-N 3.43Å
643	S	91.1	Very high	91.1	Very high	29 Å²	29	59.6 Å²	59.6	20%	0.203	32%	0.321	C	S	.	.	S	Bend	trans	-63.5	148.7	-177.3	67.7	0	0	0	0	113.5	L640 N645 V648 R649	L640-S643 VanDerWaalsContact O-CB 3.3Å; L640-S643 WeakPolarHBondContact O-CB 3.44Å; L640-S643 PolarHBondContact O-N 2.92Å; L640-S643 PolarHBondContact O-OG 3.32Å; S643-N645 PolarHBondContact O-N 3.21Å; S643-N645 VanDerWaalsContact O-N 3.12Å; S643-V648 WeakPolarHBondContact OG-CB 2.79Å; S643-V648 VanDerWaalsContact OG-CG1 3.22Å; S643-V648 WeakPolarHBondContact OG-CG1 3.39Å; S643-R649 WeakPolarHBondContact O-CD 3.48Å; S643-R649 WeakPolarHBondContact O-CG 3.42Å; S643-R649 PolarHBondContact O-NE 2.94Å
644	Y	90.8	Very high	91.3	Very high	190 Å²	190	61.3 Å²	61.3	75%	0.745	33%	0.329	S	S	*	.	S	Bend	trans	-62.9	-21.9	-178.6	70.8	-96.1	0	0	0	113.7	P646	Y644-P646 WeakPolarHBondContact O-CD 3.44Å
645	N	91.4	Very high	91.4	Very high	7 Å²	7	58.6 Å²	58.6	4%	0.037	31%	0.312	C	S	.	.			trans	-87.6	119.9	-170.6	-176	-16.2	0	0	0	111.7	D612 R615 S643 H647 V648 R649	D612-N645 PolarHBondContact OD1-ND2 3.37Å; R615-N645 PolarHBondContact NH1-ND2 2.98Å; S643-N645 PolarHBondContact O-N 3.21Å; S643-N645 VanDerWaalsContact O-N 3.12Å; N645-H647 VanDerWaalsContact C-N 3.25Å; N645-H647 PolarHBondContact O-N 2.69Å; N645-H647 WeakPolarHBondContact OD1-CB 3.47Å; N645-H647 PolarHBondContact OD1-N 3.31Å; N645-V648 HydrophobicContact CB-CB 4.22Å; N645-V648 HydrophobicContact CB-CG2 3.99Å; N645-V648 PolarHBondContact O-N 3.17Å; N645-R649 WeakPolarHBondContact O-CG 3.26Å; N645-R649 PolarHBondContact O-N 2.93Å; N645-R649 VanDerWaalsContact O-N 3.14Å
646	P	92.9	Very high	91.5	Very high	78 Å²	78	56.9 Å²	56.9	51%	0.506	30%	0.295	S	S	.	.	H	α-helix	trans	-53.4	-36	175.2	-25.4	34.8	0	0	0	114.7	Y644 R649 Y650	Y644-P646 WeakPolarHBondContact O-CD 3.44Å; P646-R649 PolarHBondContact O-N 2.92Å; P646-Y650 WeakPolarHBondContact O-CB 3.28Å; P646-Y650 PolarHBondContact O-N 3.11Å
647	H	91.7	Very high	91.6	Very high	71 Å²	71	56.9 Å²	56.9	33%	0.329	31%	0.305	S	S	.	.	H	α-helix	trans	-70.8	-38.9	-176.9	-67.4	-108.2	0	0	0	112.4	D612 R616 N645 Y650 G651	D612-H647 HydrophobicContact CB-CB 3.88Å; R616-H647 HydrophobicContact CB-CB 4.41Å; N645-H647 VanDerWaalsContact C-N 3.25Å; N645-H647 PolarHBondContact O-N 2.69Å; N645-H647 WeakPolarHBondContact OD1-CB 3.47Å; N645-H647 PolarHBondContact OD1-N 3.31Å; H647-Y650 PolarHBondContact O-N 3.12Å; H647-G651 PolarHBondContact O-N 2.79Å
648	V	93.1	Very high	91.7	Very high	6 Å²	6	57.5 Å²	57.5	4%	0.036	31%	0.308	C	S	.	.	H	α-helix	trans	-68.2	-41.6	174.9	177.9	0	0	0	0	110.2	R615 V619 L640 S643 N645 G651 A652	R615-V648 HydrophobicContact CB-CG2 4.24Å; V619-V648 HydrophobicContact CG2-CG1 4.28Å; L640-V648 HydrophobicContact CB-CG1 4.25Å; S643-V648 WeakPolarHBondContact OG-CB 2.79Å; S643-V648 VanDerWaalsContact OG-CG1 3.22Å; S643-V648 WeakPolarHBondContact OG-CG1 3.39Å; N645-V648 HydrophobicContact CB-CB 4.22Å; N645-V648 HydrophobicContact CB-CG2 3.99Å; N645-V648 PolarHBondContact O-N 3.17Å; V648-G651 PolarHBondContact O-N 3.49Å; V648-A652 WeakPolarHBondContact O-CB 3.45Å; V648-A652 PolarHBondContact O-N 3.27Å
649	R	94	Very high	91.5	Very high	119 Å²	119	54.9 Å²	54.9	45%	0.449	29%	0.289	S	S	.	.	H	α-helix	trans	-65.1	-37.8	174.9	-65.9	-170.2	-70.1	177.6	1.3	113.4	S641 S643 N645 P646 A652 A653	S641-R649 WeakPolarHBondContact O-CD 3.43Å; S641-R649 VanDerWaalsContact O-CG 3.27Å; S641-R649 WeakPolarHBondContact O-CG 3.46Å; S643-R649 WeakPolarHBondContact O-CD 3.48Å; S643-R649 WeakPolarHBondContact O-CG 3.42Å; S643-R649 PolarHBondContact O-NE 2.94Å; N645-R649 WeakPolarHBondContact O-CG 3.26Å; N645-R649 PolarHBondContact O-N 2.93Å; N645-R649 VanDerWaalsContact O-N 3.14Å; P646-R649 PolarHBondContact O-N 2.92Å; R649-A652 PolarHBondContact O-N 3.4Å; R649-A653 PolarHBondContact O-N 2.95Å
650	Y	93.1	Very high	91.3	Very high	58 Å²	58	49.7 Å²	49.7	23%	0.227	27%	0.265	C	S	.	.	H	α-helix	trans	-64.2	-48.7	172.5	176.6	-83.5	0	0	0	111	R616 E620 P646 H647 A652 A653 M654 W731	R616-Y650 VanDerWaalsContact CD-CD1 3.42Å; R616-Y650 HydrophobicContact CG-CD1 3.95Å; R616-Y650 HydrophobicContact CG-CE1 4.48Å; E620-Y650 VanDerWaalsContact OE1-CE1 3.32Å; E620-Y650 WeakPolarHBondContact OE1-CE1 3.34Å; P646-Y650 WeakPolarHBondContact O-CB 3.28Å; P646-Y650 PolarHBondContact O-N 3.11Å; H647-Y650 PolarHBondContact O-N 3.12Å; Y650-A652 VanDerWaalsContact C-N 3.26Å; Y650-A652 PolarHBondContact O-N 3.31Å; Y650-A653 PolarHBondContact O-N 2.81Å; Y650-A653 VanDerWaalsContact O-N 3.13Å; Y650-M654 HydrophobicContact CD1-CG 3.95Å; Y650-M654 HydrophobicContact CE1-CG 3.39Å; Y650-M654 HydrophobicContact CE1-SD 4.36Å; Y650-M654 HydrophobicContact CE2-CG 4.29Å; Y650-M654 PolarHBondContact O-N 3.26Å; Y650-W731 HydrophobicContact CD2-CZ2 4.42Å; Y650-W731 AromaticContact CE1-NE1 3.87Å; Y650-W731 AromaticContact CE2-CZ2 3.76Å; Y650-W731 HydrophobicContact CE2-CZ2 3.76Å; Y650-W731 AromaticContact CE2-NE1 3.69Å; Y650-W731 AromaticContact CZ-NE1 3.23Å; Y650-W731 PolarHBondContact OH-NE1 2.87Å
651	G	91.1	Very high	90.9	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-60.2	-36.8	177.5	0	0	0	0	0	112.6	H647 V648 M654 A655	H647-G651 PolarHBondContact O-N 2.79Å; V648-G651 PolarHBondContact O-N 3.49Å; G651-M654 PolarHBondContact O-N 2.66Å; G651-A655 WeakPolarHBondContact O-CB 3.26Å; G651-A655 PolarHBondContact O-N 3.06Å
652	A	93.2	Very high	89.8	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-62	-47.3	172.4	0	0	0	0	0	112.4	V619 V637 L640 V648 R649 Y650 M654 A655 L656	V619-A652 HydrophobicContact CG1-CB 4.19Å; V637-A652 HydrophobicContact CG1-CB 3.42Å; V637-A652 VanDerWaalsContact CG1-CB 3.42Å; L640-A652 HydrophobicContact CB-CB 4.35Å; V648-A652 WeakPolarHBondContact O-CB 3.45Å; V648-A652 PolarHBondContact O-N 3.27Å; R649-A652 PolarHBondContact O-N 3.4Å; Y650-A652 VanDerWaalsContact C-N 3.26Å; Y650-A652 PolarHBondContact O-N 3.31Å; A652-M654 PolarHBondContact O-N 3.39Å; A652-A655 PolarHBondContact O-N 3.36Å; A652-L656 WeakPolarHBondContact O-CG 3.47Å; A652-L656 PolarHBondContact O-N 2.64Å; A652-L656 VanDerWaalsContact O-N 3.1Å
653	A	93.5	Very high	88.8	Confident	62 Å²	62	49.3 Å²	49.3	51%	0.512	29%	0.292	S	S	.	.	H	α-helix	trans	-63	-40.6	176.6	0	0	0	0	0	112.3	R649 Y650 L656 G657	R649-A653 PolarHBondContact O-N 2.95Å; Y650-A653 PolarHBondContact O-N 2.81Å; Y650-A653 VanDerWaalsContact O-N 3.13Å; A653-L656 PolarHBondContact O-N 3.18Å; A653-G657 PolarHBondContact O-N 3.41Å
654	M	92.2	Very high	87.5	Confident	36 Å²	36	50.8 Å²	50.8	18%	0.177	31%	0.313	C	S	.	.	H	α-helix	trans	-65.9	-45.2	175.1	-72.2	-58	-65.3	0	0	112.2	E620 Y650 G651 A652 L656 G657 I658 T728	E620-M654 HydrophobicContact CG-CB 3.98Å; Y650-M654 HydrophobicContact CD1-CG 3.95Å; Y650-M654 HydrophobicContact CE1-CG 3.39Å; Y650-M654 HydrophobicContact CE1-SD 4.36Å; Y650-M654 HydrophobicContact CE2-CG 4.29Å; Y650-M654 PolarHBondContact O-N 3.26Å; G651-M654 PolarHBondContact O-N 2.66Å; A652-M654 PolarHBondContact O-N 3.39Å; M654-L656 VanDerWaalsContact C-N 3.28Å; M654-L656 PolarHBondContact O-N 3.32Å; M654-G657 PolarHBondContact O-N 3.5Å; M654-G657 VanDerWaalsContact O-N 3.12Å; M654-I658 HydrophobicContact CE-CD1 4.49Å; M654-I658 WeakPolarHBondContact O-CB 3.45Å; M654-I658 WeakPolarHBondContact O-CD1 3.48Å; M654-I658 WeakPolarHBondContact O-CG1 3.36Å; M654-I658 PolarHBondContact O-N 3.24Å; M654-T728 HydrophobicContact CE-CG2 3.54Å
655	A	92	Very high	86.5	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-57.1	-42.3	176.9	0	0	0	0	0	111.9	V619 V637 G651 A652 C659	V619-A655 WeakPolarHBondContact O-CB 3.49Å; V637-A655 HydrophobicContact CG2-CB 4.41Å; G651-A655 WeakPolarHBondContact O-CB 3.26Å; G651-A655 PolarHBondContact O-N 3.06Å; A652-A655 PolarHBondContact O-N 3.36Å; A655-C659 WeakPolarHBondContact O-CB 3.48Å; A655-C659 PolarHBondContact O-N 3.4Å
656	L	91.1	Very high	86	Confident	54 Å²	54	55.7 Å²	55.7	28%	0.283	35%	0.345	S	S	.	.	H	α-helix	trans	-65.1	-45.1	173.9	-68.6	169.4	0	0	0	112.3	P634 V637 A652 A653 M654 I658 C659 C660	P634-L656 HydrophobicContact CB-CD2 4.3Å; P634-L656 HydrophobicContact CG-CD2 3.97Å; V637-L656 HydrophobicContact CB-CD2 4.31Å; V637-L656 HydrophobicContact CB-CG 4.4Å; V637-L656 HydrophobicContact CG1-CD1 4.07Å; V637-L656 HydrophobicContact CG1-CD2 4.41Å; V637-L656 HydrophobicContact CG1-CG 3.97Å; A652-L656 WeakPolarHBondContact O-CG 3.47Å; A652-L656 PolarHBondContact O-N 2.64Å; A652-L656 VanDerWaalsContact O-N 3.1Å; A653-L656 PolarHBondContact O-N 3.18Å; M654-L656 VanDerWaalsContact C-N 3.28Å; M654-L656 PolarHBondContact O-N 3.32Å; L656-I658 PolarHBondContact O-N 3.22Å; L656-C659 PolarHBondContact O-N 2.99Å; L656-C660 VanDerWaalsContact O-CB 3.31Å; L656-C660 WeakPolarHBondContact O-CB 3.42Å; L656-C660 PolarHBondContact O-N 2.84Å
657	G	89.3	Confident	85.4	Confident	48 Å²	48	54.8 Å²	54.8	50%	0.495	34%	0.338	S	S	.	.	H	α-helix	trans	-62	-41.6	178.5	0	0	0	0	0	113.3	A653 M654 A661	A653-G657 PolarHBondContact O-N 3.41Å; M654-G657 PolarHBondContact O-N 3.5Å; M654-G657 VanDerWaalsContact O-N 3.12Å; G657-A661 WeakPolarHBondContact O-CB 3.49Å; G657-A661 PolarHBondContact O-N 3.26Å
658	I	89.5	Confident	85	Confident	14 Å²	14	57.1 Å²	57.1	7%	0.072	35%	0.353	C	S	.	.	H	α-helix	trans	-67.6	-45.2	177.1	-66.1	167.2	0	0	0	110.6	F624 M654 L656 L709 V724 T728	F624-I658 HydrophobicContact CD1-CG2 4.14Å; F624-I658 HydrophobicContact CE1-CG2 4Å; F624-I658 HydrophobicContact CE2-CD1 3.89Å; F624-I658 HydrophobicContact CZ-CD1 3.91Å; F624-I658 HydrophobicContact CZ-CG2 4.26Å; M654-I658 HydrophobicContact CE-CD1 4.49Å; M654-I658 WeakPolarHBondContact O-CB 3.45Å; M654-I658 WeakPolarHBondContact O-CD1 3.48Å; M654-I658 WeakPolarHBondContact O-CG1 3.36Å; M654-I658 PolarHBondContact O-N 3.24Å; L656-I658 PolarHBondContact O-N 3.22Å; I658-L709 HydrophobicContact CG2-CD1 3.71Å; I658-L709 WeakPolarHBondContact O-CD1 3.38Å; I658-V724 HydrophobicContact CD1-CG1 4.16Å; I658-V724 HydrophobicContact CG1-CG1 3.73Å; I658-V724 HydrophobicContact CG2-CG1 4.21Å; I658-T728 HydrophobicContact CD1-CG2 4.06Å
659	C	87.8	Confident	84.7	Confident	11 Å²	11	62.8 Å²	62.8	7%	0.074	38%	0.379	C	S	.	.	H	α-helix	trans	-78.1	-40	-173.6	-167.2	0	0	0	0	113.4	L626 F627 C633 A655 L656	L626-C659 VanDerWaalsContact C-SG 3.56Å; F627-C659 VanDerWaalsContact CA-SG 3.59Å; C633-C659 HydrophobicContact CB-CB 3.91Å; C633-C659 WeakPolarHBondContact CB-SG 3.47Å; A655-C659 WeakPolarHBondContact O-CB 3.48Å; A655-C659 PolarHBondContact O-N 3.4Å; L656-C659 PolarHBondContact O-N 2.99Å
660	C	86.1	Confident	84.4	Confident	30 Å²	30	61.9 Å²	61.9	20%	0.203	38%	0.378	C	S	.	.	S	Bend	trans	-106.7	18.7	-171.8	-63.3	0	0	0	0	114.1	L656 G662 T663	L656-C660 VanDerWaalsContact O-CB 3.31Å; L656-C660 WeakPolarHBondContact O-CB 3.42Å; L656-C660 PolarHBondContact O-N 2.84Å; C660-G662 PolarHBondContact O-N 2.98Å; C660-T663 PolarHBondContact O-N 3.2Å; C660-T663 PolarHBondContact O-OG1 3.45Å
661	A	80.3	Confident	84	Confident	57 Å²	57	61.4 Å²	61.4	47%	0.471	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.1	-36.2	-177.3	0	0	0	0	0	114.1	G657	G657-A661 WeakPolarHBondContact O-CB 3.49Å; G657-A661 PolarHBondContact O-N 3.26Å
662	G	70.3	Confident	83.8	Confident	73 Å²	73	68.4 Å²	68.4	75%	0.753	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	4.5	-175.5	0	0	0	0	0	117.1	C660	C660-G662 PolarHBondContact O-N 2.98Å
663	T	69.6	Low	83.7	Confident	92 Å²	92	72.5 Å²	72.5	56%	0.564	43%	0.43	S	S	*	.			trans	-125.2	15.5	-168.3	57.7	0	0	0	0	115.6	C660	C660-T663 PolarHBondContact O-N 3.2Å; C660-T663 PolarHBondContact O-OG1 3.45Å
664	G	65.3	Low	83.5	Confident	61 Å²	61	72.2 Å²	72.2	63%	0.629	42%	0.416	S	S	*	.			trans	-85.1	124.5	-173.8	0	0	0	0	0	116.3
665	N	69.1	Low	83.3	Confident	161 Å²	161	73 Å²	73	86%	0.861	43%	0.425	S	S	*	.			trans	-102.8	-11.5	-176.8	-69.8	-24.5	0	0	0	116.5	V667	N665-V667 PolarHBondContact O-N 3.23Å
666	K	81.8	Confident	83.2	Confident	139 Å²	139	79.5 Å²	79.5	60%	0.604	45%	0.454	S	S	*	.			trans	-98.9	31	-166.7	-69.9	-173.6	175.8	-178.1	0	115.6	N668 Q669 F670	K666-N668 PolarHBondContact O-N 2.75Å; K666-Q669 PolarHBondContact O-N 2.96Å; K666-F670 HydrophobicContact CB-CD2 4.12Å; K666-F670 HydrophobicContact CB-CE2 3.89Å; K666-F670 WeakPolarHBondContact O-CD2 3.44Å
667	V	80.7	Confident	83.1	Confident	59 Å²	59	78.1 Å²	78.1	36%	0.358	45%	0.447	S	S	.	.	H	α-helix	trans	-49.8	-51.2	-166.6	-175.6	0	0	0	0	114.4	N665 Q669 F670 R671 L698	N665-V667 PolarHBondContact O-N 3.23Å; V667-Q669 VanDerWaalsContact C-N 3.32Å; V667-Q669 PolarHBondContact O-N 2.98Å; V667-F670 PolarHBondContact O-N 3.01Å; V667-R671 PolarHBondContact O-N 3.07Å; V667-L698 HydrophobicContact CG1-CD1 4.13Å; V667-L698 HydrophobicContact CG1-CD2 4.07Å
668	N	81.3	Confident	83	Confident	119 Å²	119	76.3 Å²	76.3	64%	0.636	43%	0.426	S	S	*	.	H	α-helix	trans	-64.4	-33.4	-173.2	-69.2	-12.1	0	0	0	113.7	K666 Q672	K666-N668 PolarHBondContact O-N 2.75Å; N668-Q672 WeakPolarHBondContact O-CG 3.43Å; N668-Q672 PolarHBondContact O-N 2.99Å
669	Q	87.1	Confident	82.9	Confident	126 Å²	126	80.6 Å²	80.6	59%	0.589	45%	0.449	S	S	*	.	H	α-helix	trans	-68.9	-40.3	178.2	-67.8	179.1	-19.4	0	0	110.9	K666 V667 L673	K666-Q669 PolarHBondContact O-N 2.96Å; V667-Q669 VanDerWaalsContact C-N 3.32Å; V667-Q669 PolarHBondContact O-N 2.98Å; Q669-L673 PolarHBondContact O-N 3.48Å
670	F	88.3	Confident	82.9	Confident	99 Å²	99	82.6 Å²	82.6	43%	0.434	46%	0.459	S	S	.	.	H	α-helix	trans	-70.2	-41	176.7	-72.2	-64	0	0	0	112.7	K666 V667 Q672 L673 Y674	K666-F670 HydrophobicContact CB-CD2 4.12Å; K666-F670 HydrophobicContact CB-CE2 3.89Å; K666-F670 WeakPolarHBondContact O-CD2 3.44Å; V667-F670 PolarHBondContact O-N 3.01Å; F670-Q672 VanDerWaalsContact C-N 3.32Å; F670-Q672 PolarHBondContact O-N 3.25Å; F670-L673 HydrophobicContact CD1-CD2 4.42Å; F670-L673 WeakPolarHBondContact O-CB 3.26Å; F670-L673 PolarHBondContact O-N 2.88Å; F670-L673 VanDerWaalsContact O-N 3.11Å; F670-Y674 HydrophobicContact CB-CE1 4.4Å; F670-Y674 HydrophobicContact CB-CE2 4.13Å; F670-Y674 WeakPolarHBondContact O-CD1 3.47Å; F670-Y674 WeakPolarHBondContact O-CD2 3.45Å; F670-Y674 PolarHBondContact O-N 3.31Å
671	R	85.1	Confident	82.7	Confident	49 Å²	49	89.5 Å²	89.5	19%	0.185	49%	0.486	C	S	.	.	H	α-helix	trans	-55.7	-45.6	172.6	-82.7	-171.5	164.1	-169.8	-0.5	112.3	V667 Y674 S675 L698 D699 H703 P775	V667-R671 PolarHBondContact O-N 3.07Å; R671-Y674 PolarHBondContact O-N 3.34Å; R671-S675 PolarHBondContact O-N 2.86Å; R671-S675 VanDerWaalsContact O-N 3.13Å; R671-S675 PolarHBondContact O-OG 3.48Å; R671-L698 HydrophobicContact CG-CD2 3.48Å; R671-L698 VanDerWaalsContact CG-CD2 3.48Å; R671-D699 IonicContact CZ-OD1 3.21Å; R671-D699 IonicContact NE-OD1 2.89Å; R671-D699 IonicContact NH2-OD1 3.72Å; R671-D699 PolarHBondContact NH2-OD1 2.77Å; R671-D699 IonicContact NH2-OD2 2.69Å; R671-H703 PolarHBondContact NH2-CE1 3.41Å; R671-H703 PolarHBondContact NH2-NE2 3.28Å; R671-P775 VanDerWaalsContact NH1-CB 3.26Å
672	Q	86.9	Confident	83	Confident	146 Å²	146	95.1 Å²	95.1	68%	0.682	50%	0.502	S	S	*	.	H	α-helix	trans	-63.4	-39.6	176.1	-72	176.5	-3.1	0	0	112.3	N668 F670 K676	N668-Q672 WeakPolarHBondContact O-CG 3.43Å; N668-Q672 PolarHBondContact O-N 2.99Å; F670-Q672 VanDerWaalsContact C-N 3.32Å; F670-Q672 PolarHBondContact O-N 3.25Å; Q672-K676 WeakPolarHBondContact O-CB 3.46Å; Q672-K676 PolarHBondContact O-N 2.92Å
673	L	90.8	Very high	83.9	Confident	86 Å²	86	94.5 Å²	94.5	45%	0.45	48%	0.482	S	S	.	.	H	α-helix	trans	-64.1	-46.3	177	-177.5	62.5	0	0	0	112.2	Q669 F670 K676 V677	Q669-L673 PolarHBondContact O-N 3.48Å; F670-L673 HydrophobicContact CD1-CD2 4.42Å; F670-L673 WeakPolarHBondContact O-CB 3.26Å; F670-L673 PolarHBondContact O-N 2.88Å; F670-L673 VanDerWaalsContact O-N 3.11Å; L673-K676 WeakPolarHBondContact O-CB 3.38Å; L673-K676 PolarHBondContact O-N 2.83Å; L673-V677 HydrophobicContact CD1-CG2 4.35Å; L673-V677 WeakPolarHBondContact O-CG2 3.34Å; L673-V677 PolarHBondContact O-N 3.42Å
674	Y	90.1	Very high	84.8	Confident	56 Å²	56	96.2 Å²	96.2	22%	0.22	49%	0.487	C	S	.	.	H	α-helix	trans	-61.4	-47.7	178.5	-54.3	-28.2	0	0	0	111.1	F670 R671 K676 V677 I678 A691 A694 Q695	F670-Y674 HydrophobicContact CB-CE1 4.4Å; F670-Y674 HydrophobicContact CB-CE2 4.13Å; F670-Y674 WeakPolarHBondContact O-CD1 3.47Å; F670-Y674 WeakPolarHBondContact O-CD2 3.45Å; F670-Y674 PolarHBondContact O-N 3.31Å; R671-Y674 PolarHBondContact O-N 3.34Å; Y674-K676 PolarHBondContact O-N 3.04Å; Y674-V677 PolarHBondContact O-N 2.86Å; Y674-I678 WeakPolarHBondContact O-CB 3.43Å; Y674-I678 VanDerWaalsContact O-CG1 3.26Å; Y674-I678 WeakPolarHBondContact O-CG1 3.47Å; Y674-I678 PolarHBondContact O-N 2.81Å; Y674-A691 HydrophobicContact CD1-CB 4.5Å; Y674-A694 HydrophobicContact CD1-CB 4.31Å; Y674-A694 HydrophobicContact CD2-CB 4.08Å; Y674-A694 HydrophobicContact CE1-CB 3.91Å; Y674-A694 HydrophobicContact CE2-CB 3.64Å; Y674-A694 HydrophobicContact CG-CB 4.41Å; Y674-Q695 HydrophobicContact CD2-CG 3.92Å; Y674-Q695 HydrophobicContact CG-CG 4.31Å
675	S	86.6	Confident	85.9	Confident	53 Å²	53	95.9 Å²	95.9	37%	0.371	47%	0.473	S	S	.	.	H	α-helix	trans	-62.2	-29.7	176.3	-63.2	0	0	0	0	113	R671 N679 Q695	R671-S675 PolarHBondContact O-N 2.86Å; R671-S675 VanDerWaalsContact O-N 3.13Å; R671-S675 PolarHBondContact O-OG 3.48Å; S675-N679 PolarHBondContact O-N 3.08Å; S675-N679 PolarHBondContact O-ND2 3.01Å; S675-Q695 PolarHBondContact OG-NE2 3.23Å; S675-Q695 VanDerWaalsContact OG-NE2 3.16Å
676	K	90.1	Very high	86.7	Confident	137 Å²	137	92.8 Å²	92.8	60%	0.596	45%	0.454	S	S	*	.	H	α-helix	trans	-67.4	-54.4	171.8	-173.1	-170.8	173.9	-166.2	0	111.1	Q672 L673 Y674 I678 N679 D680	Q672-K676 WeakPolarHBondContact O-CB 3.46Å; Q672-K676 PolarHBondContact O-N 2.92Å; L673-K676 WeakPolarHBondContact O-CB 3.38Å; L673-K676 PolarHBondContact O-N 2.83Å; Y674-K676 PolarHBondContact O-N 3.04Å; K676-I678 VanDerWaalsContact C-N 3.28Å; K676-I678 PolarHBondContact O-N 2.87Å; K676-N679 PolarHBondContact O-N 2.93Å; K676-N679 VanDerWaalsContact O-N 3.14Å; K676-D680 PolarHBondContact O-N 2.97Å
677	V	89.6	Confident	87	Confident	24 Å²	24	88.3 Å²	88.3	15%	0.145	44%	0.444	C	S	.	.	H	α-helix	trans	-62.8	-33.3	-175.4	171.7	0	0	0	0	112.6	L673 Y674 D683 A687 K688 A691	L673-V677 HydrophobicContact CD1-CG2 4.35Å; L673-V677 WeakPolarHBondContact O-CG2 3.34Å; L673-V677 PolarHBondContact O-N 3.42Å; Y674-V677 PolarHBondContact O-N 2.86Å; V677-D683 WeakPolarHBondContact CA-OD2 3.28Å; V677-D683 HydrophobicContact CG1-CB 4.06Å; V677-A687 HydrophobicContact CG1-CB 4.38Å; V677-K688 HydrophobicContact CG1-CG 4.24Å; V677-K688 WeakPolarHBondContact O-CE 3.35Å; V677-K688 WeakPolarHBondContact O-CG 3.31Å; V677-A691 HydrophobicContact CB-CB 4.33Å; V677-A691 HydrophobicContact CG1-CB 4.1Å
678	I	87.3	Confident	87.5	Confident	11 Å²	11	86.9 Å²	86.9	6%	0.056	43%	0.432	C	S	.	.	H	α-helix	trans	-68.7	-38.7	176.3	-69.1	167.5	0	0	0	111.7	T356 A359 Y674 K676 A691 I692 Q695	T356-I678 HydrophobicContact CG2-CG2 4.33Å; A359-I678 HydrophobicContact CB-CG2 3.98Å; Y674-I678 WeakPolarHBondContact O-CB 3.43Å; Y674-I678 VanDerWaalsContact O-CG1 3.26Å; Y674-I678 WeakPolarHBondContact O-CG1 3.47Å; Y674-I678 PolarHBondContact O-N 2.81Å; K676-I678 VanDerWaalsContact C-N 3.28Å; K676-I678 PolarHBondContact O-N 2.87Å; I678-A691 HydrophobicContact CD1-CB 4.2Å; I678-A691 HydrophobicContact CG1-CB 3.89Å; I678-I692 HydrophobicContact CD1-CG1 3.74Å; I678-I692 HydrophobicContact CG1-CG1 3.84Å; I678-Q695 HydrophobicContact CD1-CG 4.47Å; I678-Q695 VanDerWaalsContact CD1-OE1 3.26Å
679	N	86.5	Confident	87.8	Confident	103 Å²	103	81.4 Å²	81.4	55%	0.551	40%	0.403	S	S	*	.	H	α-helix	trans	-86.1	-28	-177.3	-78.2	-69	0	0	0	113.9	S675 K676	S675-N679 PolarHBondContact O-N 3.08Å; S675-N679 PolarHBondContact O-ND2 3.01Å; K676-N679 PolarHBondContact O-N 2.93Å; K676-N679 VanDerWaalsContact O-N 3.14Å
680	D	87.4	Confident	88	Confident	54 Å²	54	77.1 Å²	77.1	29%	0.289	39%	0.392	S	S	.	.			trans	-65.2	140.8	175.7	-157.2	-43.9	0	0	0	110.1	K676 H682 K688	K676-D680 PolarHBondContact O-N 2.97Å; D680-H682 WeakPolarHBondContact OD1-CB 3.39Å; D680-H682 IonicContact OD1-CD2 3.36Å; D680-H682 PolarHBondContact OD1-CD2 3.16Å; D680-H682 IonicContact OD1-CG 3.13Å; D680-H682 PolarHBondContact OD1-N 3.07Å; D680-K688 WeakPolarHBondContact O-CE 3.13Å; D680-K688 PolarHBondContact O-NZ 3.33Å
681	K	83.1	Confident	88.1	Confident	174 Å²	174	72.7 Å²	72.7	76%	0.757	37%	0.374	S	S	*	.	S	Bend	trans	-88.4	-19.4	177.2	-68.6	177.2	-174.1	166.5	0	112.5	K688	K681-K688 PolarHBondContact O-NZ 2.93Å
682	H	87.1	Confident	88.4	Confident	175 Å²	175	70.5 Å²	70.5	81%	0.81	37%	0.366	S	S	*	.	S	Bend	trans	-85.1	-22.5	-173.2	-59.3	-70.5	0	0	0	113.7	D680	D680-H682 WeakPolarHBondContact OD1-CB 3.39Å; D680-H682 IonicContact OD1-CD2 3.36Å; D680-H682 PolarHBondContact OD1-CD2 3.16Å; D680-H682 IonicContact OD1-CG 3.13Å; D680-H682 PolarHBondContact OD1-N 3.07Å
683	D	87.6	Confident	88.6	Confident	61 Å²	61	63.9 Å²	63.9	33%	0.326	34%	0.335	S	S	.	.	S	Bend	trans	-68.7	149.6	175.6	-77.4	-46.9	0	0	0	113.3	V677 K688	V677-D683 WeakPolarHBondContact CA-OD2 3.28Å; V677-D683 HydrophobicContact CG1-CB 4.06Å; D683-K688 WeakPolarHBondContact O-CE 3.41Å; D683-K688 PolarHBondContact O-NZ 2.96Å
684	D	89.3	Confident	88.6	Confident	128 Å²	128	61 Å²	61	68%	0.684	32%	0.324	S	S	*	.			trans	-64.1	149	-178.4	-81.7	-52.2	0	0	0	114.3	M686 A687 K688	D684-M686 PolarHBondContact O-N 3.3Å; D684-A687 HydrophobicContact CB-CB 4.19Å; D684-A687 WeakPolarHBondContact O-CB 3.34Å; D684-A687 PolarHBondContact O-N 3.38Å; D684-A687 VanDerWaalsContact O-N 3.12Å; D684-K688 PolarHBondContact O-N 2.7Å
685	V	88.3	Confident	88.5	Confident	54 Å²	54	59 Å²	59	33%	0.327	32%	0.316	S	S	.	.	H	α-helix	trans	-60.5	-34.3	177.5	-175.7	0	0	0	0	111.9	N362 V364 F689	N362-V685 WeakPolarHBondContact ND2-CG2 3.36Å; V364-V685 HydrophobicContact CB-CG1 4.07Å; V364-V685 HydrophobicContact CG1-CG1 4.25Å; V685-F689 PolarHBondContact O-N 2.73Å
686	M	86.1	Confident	88.7	Confident	95 Å²	95	56.4 Å²	56.4	47%	0.468	30%	0.299	S	S	.	.	H	α-helix	trans	-74.5	-35.4	175.9	-63.7	-56.6	-168.5	0	0	112.6	D684 K688 F689 G690 W731	D684-M686 PolarHBondContact O-N 3.3Å; M686-K688 VanDerWaalsContact C-N 3.32Å; M686-F689 WeakPolarHBondContact O-CB 3.45Å; M686-F689 PolarHBondContact O-N 3.3Å; M686-G690 PolarHBondContact O-N 3.03Å; M686-W731 HydrophobicContact SD-CZ3 4.37Å
687	A	89.1	Confident	88.8	Confident	46 Å²	46	52.3 Å²	52.3	38%	0.38	28%	0.283	S	S	.	.	H	α-helix	trans	-64.2	-40.1	172.8	0	0	0	0	0	110.9	V677 D684 G690 A691	V677-A687 HydrophobicContact CG1-CB 4.38Å; D684-A687 HydrophobicContact CB-CB 4.19Å; D684-A687 WeakPolarHBondContact O-CB 3.34Å; D684-A687 PolarHBondContact O-N 3.38Å; D684-A687 VanDerWaalsContact O-N 3.12Å; A687-G690 PolarHBondContact O-N 2.8Å; A687-A691 WeakPolarHBondContact O-CB 3.18Å; A687-A691 PolarHBondContact O-N 3.06Å
688	K	89.3	Confident	88.7	Confident	28 Å²	28	54 Å²	54	12%	0.122	29%	0.291	C	S	.	.	H	α-helix	trans	-64.1	-43.3	172.6	-76.2	159.5	174.3	157	0	113.1	V677 D680 K681 D683 D684 M686 G690 A691 I692	V677-K688 HydrophobicContact CG1-CG 4.24Å; V677-K688 WeakPolarHBondContact O-CE 3.35Å; V677-K688 WeakPolarHBondContact O-CG 3.31Å; D680-K688 WeakPolarHBondContact O-CE 3.13Å; D680-K688 PolarHBondContact O-NZ 3.33Å; K681-K688 PolarHBondContact O-NZ 2.93Å; D683-K688 WeakPolarHBondContact O-CE 3.41Å; D683-K688 PolarHBondContact O-NZ 2.96Å; D684-K688 PolarHBondContact O-N 2.7Å; M686-K688 VanDerWaalsContact C-N 3.32Å; K688-G690 VanDerWaalsContact C-N 3.31Å; K688-G690 PolarHBondContact O-N 2.77Å; K688-A691 PolarHBondContact O-N 3.4Å; K688-I692 VanDerWaalsContact O-CG1 3.24Å; K688-I692 WeakPolarHBondContact O-CG1 3.29Å; K688-I692 PolarHBondContact O-N 3.39Å
689	F	88.6	Confident	88.8	Confident	5 Å²	5	53.8 Å²	53.8	2%	0.022	29%	0.29	C	S	.	.	H	α-helix	trans	-55.2	-48.4	172.8	-178.2	-89.1	0	0	0	110.8	V364 A368 V685 M686 I692 L693 F730 F734	V364-F689 HydrophobicContact CG1-CB 4.34Å; V364-F689 HydrophobicContact CG1-CD2 3.63Å; V364-F689 HydrophobicContact CG1-CE2 4.37Å; V364-F689 HydrophobicContact CG1-CG 4.29Å; A368-F689 HydrophobicContact CB-CD2 3.58Å; A368-F689 HydrophobicContact CB-CE2 3.95Å; A368-F689 HydrophobicContact CB-CG 4.27Å; V685-F689 PolarHBondContact O-N 2.73Å; M686-F689 WeakPolarHBondContact O-CB 3.45Å; M686-F689 PolarHBondContact O-N 3.3Å; F689-I692 PolarHBondContact O-N 2.88Å; F689-L693 HydrophobicContact CD1-CD1 3.99Å; F689-L693 HydrophobicContact CE1-CD1 3.38Å; F689-L693 HydrophobicContact CE1-CG 4.24Å; F689-L693 HydrophobicContact CZ-CD1 3.79Å; F689-L693 HydrophobicContact CZ-CG 4.48Å; F689-L693 WeakPolarHBondContact O-CG 3.48Å; F689-L693 PolarHBondContact O-N 2.93Å; F689-L693 VanDerWaalsContact O-N 3.08Å; F689-F730 HydrophobicContact CD1-CE2 4.42Å; F689-F730 AromaticContact CE1-CD2 3.91Å; F689-F730 HydrophobicContact CE1-CD2 3.91Å; F689-F730 AromaticContact CE1-CE2 3.91Å; F689-F730 HydrophobicContact CE1-CE2 3.91Å; F689-F734 HydrophobicContact CE1-CD1 4.44Å; F689-F734 HydrophobicContact CE1-CE1 4.47Å; F689-F734 AromaticContact CE2-CD1 3.98Å; F689-F734 HydrophobicContact CE2-CD1 3.98Å; F689-F734 HydrophobicContact CE2-CE1 4.11Å; F689-F734 AromaticContact CZ-CD1 3.68Å; F689-F734 HydrophobicContact CZ-CD1 3.68Å; F689-F734 AromaticContact CZ-CE1 3.99Å; F689-F734 HydrophobicContact CZ-CE1 3.99Å
690	G	90.3	Very high	89	Confident	35 Å²	35	49 Å²	49	36%	0.361	27%	0.265	S	S	.	.	H	α-helix	trans	-60.9	-44.1	174.8	0	0	0	0	0	113.8	M686 A687 K688 L693 A694	M686-G690 PolarHBondContact O-N 3.03Å; A687-G690 PolarHBondContact O-N 2.8Å; K688-G690 VanDerWaalsContact C-N 3.31Å; K688-G690 PolarHBondContact O-N 2.77Å; G690-L693 PolarHBondContact O-N 3.27Å; G690-A694 VanDerWaalsContact O-CB 3.27Å; G690-A694 WeakPolarHBondContact O-CB 3.43Å; G690-A694 PolarHBondContact O-N 2.99Å
691	A	90.8	Very high	88.9	Confident	7 Å²	7	46.5 Å²	46.5	6%	0.058	25%	0.251	C	S	.	.	H	α-helix	trans	-64.6	-39.1	179.1	0	0	0	0	0	113.1	Y674 V677 I678 A687 K688 A694 Q695	Y674-A691 HydrophobicContact CD1-CB 4.5Å; V677-A691 HydrophobicContact CB-CB 4.33Å; V677-A691 HydrophobicContact CG1-CB 4.1Å; I678-A691 HydrophobicContact CD1-CB 4.2Å; I678-A691 HydrophobicContact CG1-CB 3.89Å; A687-A691 WeakPolarHBondContact O-CB 3.18Å; A687-A691 PolarHBondContact O-N 3.06Å; K688-A691 PolarHBondContact O-N 3.4Å; A691-A694 PolarHBondContact O-N 3.19Å; A691-Q695 PolarHBondContact O-N 2.99Å; A691-Q695 VanDerWaalsContact O-N 3.1Å
692	I	90.8	Very high	88.9	Confident	2 Å²	2	38.2 Å²	38.2	1%	0.01	22%	0.215	C	C	.	.	H	α-helix	trans	-67.1	-45.5	176.8	-65.7	166	0	0	0	110.5	T356 V360 C365 A368 A372 I678 K688 F689 A694 Q695 G696	T356-I692 HydrophobicContact CG2-CD1 4.17Å; T356-I692 HydrophobicContact CG2-CG1 3.85Å; T356-I692 HydrophobicContact CG2-CG2 4.09Å; V360-I692 HydrophobicContact CG2-CD1 3.77Å; C365-I692 HydrophobicContact CB-CD1 4.09Å; A368-I692 HydrophobicContact CB-CB 3.99Å; A368-I692 HydrophobicContact CB-CD1 4.09Å; A368-I692 HydrophobicContact CB-CG2 3.79Å; A368-I692 WeakPolarHBondContact O-CG2 3.37Å; A372-I692 HydrophobicContact CB-CG2 3.78Å; I678-I692 HydrophobicContact CD1-CG1 3.74Å; I678-I692 HydrophobicContact CG1-CG1 3.84Å; K688-I692 VanDerWaalsContact O-CG1 3.24Å; K688-I692 WeakPolarHBondContact O-CG1 3.29Å; K688-I692 PolarHBondContact O-N 3.39Å; F689-I692 PolarHBondContact O-N 2.88Å; I692-A694 VanDerWaalsContact C-N 3.34Å; I692-A694 PolarHBondContact O-N 3.17Å; I692-Q695 PolarHBondContact O-N 3.29Å; I692-G696 PolarHBondContact O-N 3.28Å
693	L	91.2	Very high	88.9	Confident	8 Å²	8	31 Å²	31	4%	0.042	18%	0.182	C	C	.	.	H	α-helix	trans	-63.8	-38.9	174.5	-68.7	-172.9	0	0	0	112	I371 F375 F689 G690 Q695 G696 I697	I371-L693 HydrophobicContact CB-CD2 3.84Å; I371-L693 HydrophobicContact CD1-CD2 4.5Å; I371-L693 HydrophobicContact CG2-CD2 3.5Å; I371-L693 VanDerWaalsContact CG2-CD2 3.5Å; F375-L693 HydrophobicContact CE2-CD2 4.25Å; F689-L693 HydrophobicContact CD1-CD1 3.99Å; F689-L693 HydrophobicContact CE1-CD1 3.38Å; F689-L693 HydrophobicContact CE1-CG 4.24Å; F689-L693 HydrophobicContact CZ-CD1 3.79Å; F689-L693 HydrophobicContact CZ-CG 4.48Å; F689-L693 WeakPolarHBondContact O-CG 3.48Å; F689-L693 PolarHBondContact O-N 2.93Å; F689-L693 VanDerWaalsContact O-N 3.08Å; G690-L693 PolarHBondContact O-N 3.27Å; L693-Q695 VanDerWaalsContact C-N 3.31Å; L693-Q695 PolarHBondContact O-N 2.87Å; L693-G696 PolarHBondContact O-N 3.44Å; L693-G696 VanDerWaalsContact O-N 3.12Å; L693-I697 VanDerWaalsContact O-CG1 3.25Å; L693-I697 WeakPolarHBondContact O-CG1 3.3Å; L693-I697 PolarHBondContact O-N 3.35Å
694	A	91.3	Very high	88.9	Confident	25 Å²	25	28.1 Å²	28.1	21%	0.207	17%	0.166	C	C	.	.	H	α-helix	trans	-65	-32.7	178.7	0	0	0	0	0	113	Y674 G690 A691 I692 L698	Y674-A694 HydrophobicContact CD1-CB 4.31Å; Y674-A694 HydrophobicContact CD2-CB 4.08Å; Y674-A694 HydrophobicContact CE1-CB 3.91Å; Y674-A694 HydrophobicContact CE2-CB 3.64Å; Y674-A694 HydrophobicContact CG-CB 4.41Å; G690-A694 VanDerWaalsContact O-CB 3.27Å; G690-A694 WeakPolarHBondContact O-CB 3.43Å; G690-A694 PolarHBondContact O-N 2.99Å; A691-A694 PolarHBondContact O-N 3.19Å; I692-A694 VanDerWaalsContact C-N 3.34Å; I692-A694 PolarHBondContact O-N 3.17Å; A694-L698 VanDerWaalsContact O-CB 3.27Å; A694-L698 WeakPolarHBondContact O-CB 3.32Å; A694-L698 PolarHBondContact O-N 2.87Å
695	Q	88.6	Confident	88.9	Confident	13 Å²	13	23 Å²	23	6%	0.061	14%	0.139	C	C	.	.	H	α-helix	trans	-66.1	-50.5	166.8	-73.2	-178.9	-18.4	0	0	111.1	T356 Y674 S675 I678 A691 I692 L693 I697 L698 D699	T356-Q695 PolarHBondContact OG1-OE1 3.18Å; Y674-Q695 HydrophobicContact CD2-CG 3.92Å; Y674-Q695 HydrophobicContact CG-CG 4.31Å; S675-Q695 PolarHBondContact OG-NE2 3.23Å; S675-Q695 VanDerWaalsContact OG-NE2 3.16Å; I678-Q695 HydrophobicContact CD1-CG 4.47Å; I678-Q695 VanDerWaalsContact CD1-OE1 3.26Å; A691-Q695 PolarHBondContact O-N 2.99Å; A691-Q695 VanDerWaalsContact O-N 3.1Å; I692-Q695 PolarHBondContact O-N 3.29Å; L693-Q695 VanDerWaalsContact C-N 3.31Å; L693-Q695 PolarHBondContact O-N 2.87Å; Q695-I697 VanDerWaalsContact C-N 3.27Å; Q695-I697 PolarHBondContact O-N 3.17Å; Q695-L698 PolarHBondContact O-N 3.4Å; Q695-D699 VanDerWaalsContact O-CB 3.32Å; Q695-D699 WeakPolarHBondContact O-CB 3.49Å; Q695-D699 PolarHBondContact O-N 3.48Å
696	G	90.3	Very high	88.9	Confident	0 Å²	0	23 Å²	23	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-59	-33.5	-179.1	0	0	0	0	0	114.7	F375 I692 L693 A700	F375-G696 VanDerWaalsContact CB-O 3.23Å; F375-G696 WeakPolarHBondContact CB-O 3.24Å; I692-G696 PolarHBondContact O-N 3.28Å; L693-G696 PolarHBondContact O-N 3.44Å; L693-G696 VanDerWaalsContact O-N 3.12Å; G696-A700 WeakPolarHBondContact O-CA 3.26Å; G696-A700 PolarHBondContact O-N 2.02Å
697	I	91.6	Very high	89.1	Confident	51 Å²	51	20.3 Å²	20.3	26%	0.262	13%	0.127	S	C	.	.	H	α-helix	trans	-78.1	-40.5	176.9	-63.6	164.2	0	0	0	111.6	F375 L693 Q695 D699 A700 I707 F727 L740	F375-I697 HydrophobicContact CD2-CG1 3.73Å; F375-I697 HydrophobicContact CE2-CD1 4.35Å; F375-I697 HydrophobicContact CE2-CG1 3.85Å; L693-I697 VanDerWaalsContact O-CG1 3.25Å; L693-I697 WeakPolarHBondContact O-CG1 3.3Å; L693-I697 PolarHBondContact O-N 3.35Å; Q695-I697 VanDerWaalsContact C-N 3.27Å; Q695-I697 PolarHBondContact O-N 3.17Å; I697-D699 VanDerWaalsContact C-N 3.27Å; I697-D699 PolarHBondContact O-N 2.94Å; I697-A700 WeakPolarHBondContact O-CB 3.44Å; I697-A700 PolarHBondContact O-N 3.43Å; I697-I707 HydrophobicContact CG2-CD1 3.93Å; I697-F727 HydrophobicContact CD1-CZ 4.1Å; I697-L740 HydrophobicContact CD1-CD2 3.65Å; I697-L740 HydrophobicContact CG1-CD2 3.65Å
698	L	89.1	Confident	88.8	Confident	60 Å²	60	20.2 Å²	20.2	31%	0.314	12%	0.123	S	C	.	.	H	α-helix	trans	-66.6	-32.6	176.2	-178.8	64.7	0	0	0	112.3	V667 R671 A694 Q695 H703	V667-L698 HydrophobicContact CG1-CD1 4.13Å; V667-L698 HydrophobicContact CG1-CD2 4.07Å; R671-L698 HydrophobicContact CG-CD2 3.48Å; R671-L698 VanDerWaalsContact CG-CD2 3.48Å; A694-L698 VanDerWaalsContact O-CB 3.27Å; A694-L698 WeakPolarHBondContact O-CB 3.32Å; A694-L698 PolarHBondContact O-N 2.87Å; Q695-L698 PolarHBondContact O-N 3.4Å; L698-H703 PolarHBondContact O-ND1 3.24Å
699	D	88.8	Confident	88.5	Confident	6 Å²	6	19.4 Å²	19.4	3%	0.032	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.7	13	-174.6	-58.4	-2.9	0	0	0	112.1	I352 M376 R671 Q695 I697 H703	I352-D699 WeakPolarHBondContact CD1-OD2 3.08Å; M376-D699 WeakPolarHBondContact CA-O 3.1Å; M376-D699 HydrophobicContact CE-CB 4.04Å; M376-D699 HydrophobicContact CG-CB 3.9Å; M376-D699 HydrophobicContact SD-CB 4.28Å; R671-D699 IonicContact CZ-OD1 3.21Å; R671-D699 IonicContact NE-OD1 2.89Å; R671-D699 IonicContact NH2-OD1 3.72Å; R671-D699 PolarHBondContact NH2-OD1 2.77Å; R671-D699 IonicContact NH2-OD2 2.69Å; Q695-D699 VanDerWaalsContact O-CB 3.32Å; Q695-D699 WeakPolarHBondContact O-CB 3.49Å; Q695-D699 PolarHBondContact O-N 3.48Å; I697-D699 VanDerWaalsContact C-N 3.27Å; I697-D699 PolarHBondContact O-N 2.94Å; D699-H703 IonicContact OD1-CE1 3.29Å; D699-H703 PolarHBondContact OD1-CE1 3.42Å
700	A	90	Very high	88.2	Confident	3 Å²	3	22 Å²	22	3%	0.025	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-59.9	138.9	-175.4	0	0	0	0	0	113.7	F375 G696 I697 G702 H703 V705 Y744	F375-A700 VanDerWaalsContact O-CA 3.29Å; F375-A700 WeakPolarHBondContact O-CA 3.37Å; G696-A700 WeakPolarHBondContact O-CA 3.26Å; G696-A700 PolarHBondContact O-N 2.02Å; I697-A700 WeakPolarHBondContact O-CB 3.44Å; I697-A700 PolarHBondContact O-N 3.43Å; A700-G702 PolarHBondContact O-N 2.9Å; A700-G702 VanDerWaalsContact O-N 3.16Å; A700-H703 WeakPolarHBondContact O-CA 3.2Å; A700-H703 PolarHBondContact O-N 3.21Å; A700-V705 HydrophobicContact CB-CG2 3.67Å; A700-V705 WeakPolarHBondContact O-CG2 3.36Å; A700-Y744 HydrophobicContact CB-CD1 4.37Å; A700-Y744 HydrophobicContact CB-CE1 3.82Å; A700-Y744 HydrophobicContact CB-CE2 4.27Å
701	G	85.2	Confident	87.6	Confident	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	50.1	35.4	179.8	0	0	0	0	0	114.6	F375 M376 H703 N704	F375-G701 PolarHBondContact O-N 3.26Å; M376-G701 CarbonylContact O-C 3.59Å; M376-G701 WeakPolarHBondContact O-CA 3.37Å; M376-G701 PolarHBondContact O-N 3.18Å; G701-H703 VanDerWaalsContact C-N 3.31Å; G701-H703 PolarHBondContact O-N 3.13Å; G701-N704 VanDerWaalsContact O-CB 3.24Å; G701-N704 WeakPolarHBondContact O-CB 3.25Å; G701-N704 PolarHBondContact O-N 3.35Å; G701-N704 VanDerWaalsContact O-N 3.09Å; G701-N704 PolarHBondContact O-ND2 3.34Å
702	G	83.2	Confident	86.7	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	61.9	34.3	-173.5	0	0	0	0	0	114	M376 A700 N704	M376-G702 PolarHBondContact O-N 3.32Å; M376-G702 VanDerWaalsContact O-N 3.13Å; A700-G702 PolarHBondContact O-N 2.9Å; A700-G702 VanDerWaalsContact O-N 3.16Å; G702-N704 PolarHBondContact O-N 2.94Å; G702-N704 PolarHBondContact O-ND2 2.91Å
703	H	86.9	Confident	85.6	Confident	25 Å²	25	25.2 Å²	25.2	12%	0.116	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	66.9	6.7	-171.2	-45.2	-54.9	0	0	0	115.9	R671 L698 D699 A700 G701 Y774 R844	R671-H703 PolarHBondContact NH2-CE1 3.41Å; R671-H703 PolarHBondContact NH2-NE2 3.28Å; L698-H703 PolarHBondContact O-ND1 3.24Å; D699-H703 IonicContact OD1-CE1 3.29Å; D699-H703 PolarHBondContact OD1-CE1 3.42Å; A700-H703 WeakPolarHBondContact O-CA 3.2Å; A700-H703 PolarHBondContact O-N 3.21Å; G701-H703 VanDerWaalsContact C-N 3.31Å; G701-H703 PolarHBondContact O-N 3.13Å; H703-Y774 HydrophobicContact CB-CD1 4.17Å; H703-Y774 HydrophobicContact CB-CE1 4.37Å; H703-R844 VanDerWaalsContact O-CZ 3.23Å; H703-R844 PolarHBondContact O-NE 3.15Å; H703-R844 PolarHBondContact O-NH2 3.44Å
704	N	87.6	Confident	84.6	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-25.7	-177.5	-64.5	-65.9	0	0	0	113.9	F341 L342 N345 G701 G702 T747 Y774 R844	F341-N704 HydrophobicContact CE1-CB 3.75Å; F341-N704 HydrophobicContact CZ-CB 3.88Å; F341-N704 WeakPolarHBondContact CZ-OD1 3.38Å; L342-N704 HydrophobicContact CD2-CB 3.64Å; N345-N704 PolarHBondContact O-ND2 3.03Å; G701-N704 VanDerWaalsContact O-CB 3.24Å; G701-N704 WeakPolarHBondContact O-CB 3.25Å; G701-N704 PolarHBondContact O-N 3.35Å; G701-N704 VanDerWaalsContact O-N 3.09Å; G701-N704 PolarHBondContact O-ND2 3.34Å; G702-N704 PolarHBondContact O-N 2.94Å; G702-N704 PolarHBondContact O-ND2 2.91Å; N704-T747 PolarHBondContact O-N 3.44Å; N704-T747 PolarHBondContact O-OG1 2.81Å; N704-Y774 PolarHBondContact OD1-OH 3.34Å; N704-Y774 VanDerWaalsContact OD1-OH 3.14Å; N704-R844 WeakPolarHBondContact OD1-CD 3.11Å
705	V	89.4	Confident	84	Confident	19 Å²	19	26.2 Å²	26.2	12%	0.115	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	153.3	177.8	-58.8	0	0	0	0	111.6	L342 A700 Y744 T745 P746	L342-V705 HydrophobicContact CD2-CG1 4.17Å; A700-V705 HydrophobicContact CB-CG2 3.67Å; A700-V705 WeakPolarHBondContact O-CG2 3.36Å; V705-Y744 HydrophobicContact CB-CG 4.48Å; V705-Y744 HydrophobicContact CG2-CD1 3.96Å; V705-Y744 HydrophobicContact CG2-CG 3.93Å; V705-T745 WeakPolarHBondContact CA-O 3.43Å; V705-P746 HydrophobicContact CG1-CB 4.42Å
706	T	89.1	Confident	83.8	Confident	54 Å²	54	26.5 Å²	26.5	33%	0.331	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	161.9	169.4	-162.7	0	0	0	0	110.1	Y744 T745 T747	T706-Y744 WeakPolarHBondContact O-CA 3.46Å; T706-T745 PolarHBondContact N-O 3.05Å; T706-T745 PolarHBondContact O-N 3.49Å; T706-T747 HydrophobicContact CG2-CG2 3.41Å; T706-T747 VanDerWaalsContact CG2-CG2 3.41Å
707	I	89.3	Confident	83.5	Confident	40 Å²	40	28.8 Å²	28.8	21%	0.205	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	121.4	163.1	-65.4	167.8	0	0	0	107.9	I697 V724 L740 A743 Y744	I697-I707 HydrophobicContact CG2-CD1 3.93Å; I707-V724 HydrophobicContact CG2-CG2 4.15Å; I707-L740 HydrophobicContact CD1-CD1 3.93Å; I707-L740 HydrophobicContact CD1-CD2 4.47Å; I707-L740 HydrophobicContact CD1-CG 4.41Å; I707-A743 WeakPolarHBondContact CA-O 3.33Å; I707-A743 HydrophobicContact CG2-CB 4.29Å; I707-Y744 HydrophobicContact CD1-CE1 4.07Å; I707-Y744 HydrophobicContact CG1-CD1 3.88Å; I707-Y744 HydrophobicContact CG1-CE1 3.9Å
708	S	83.2	Confident	83.2	Confident	43 Å²	43	27.2 Å²	27.2	30%	0.301	15%	0.147	S	C	.	.			trans	-135.2	127.2	170.5	-170.5	0	0	0	0	111.3	Q710 S720	S708-Q710 VanDerWaalsContact C-N 3.32Å; S708-Q710 PolarHBondContact OG-N 3.12Å; S708-Q710 PolarHBondContact OG-O 3.31Å; S708-S720 WeakPolarHBondContact O-CB 3.28Å; S708-S720 PolarHBondContact O-OG 2.82Å
709	L	84.1	Confident	83.1	Confident	12 Å²	12	25 Å²	25	6%	0.063	14%	0.136	C	C	.	.	S	Bend	trans	-84.3	-9.7	174.1	-57.9	176.7	0	0	0	112.6	F627 I658 T716 H717 V721 V724	F627-L709 HydrophobicContact CB-CD1 3.87Å; F627-L709 HydrophobicContact CD1-CD1 4.05Å; F627-L709 HydrophobicContact CD2-CB 3.52Å; F627-L709 HydrophobicContact CD2-CD1 4.1Å; F627-L709 HydrophobicContact CD2-CG 4.47Å; F627-L709 HydrophobicContact CE2-CB 3.54Å; F627-L709 WeakPolarHBondContact CE2-O 3.49Å; F627-L709 HydrophobicContact CG-CB 4.07Å; F627-L709 HydrophobicContact CG-CD1 3.76Å; F627-L709 HydrophobicContact CZ-CB 4.11Å; I658-L709 HydrophobicContact CG2-CD1 3.71Å; I658-L709 WeakPolarHBondContact O-CD1 3.38Å; L709-T716 CarbonylContact O-C 3.27Å; L709-H717 PolarHBondContact O-N 2.99Å; L709-V721 HydrophobicContact CB-CG2 4.36Å; L709-V721 HydrophobicContact CD2-CG2 4.14Å; L709-V724 HydrophobicContact CD2-CB 4.32Å; L709-V724 HydrophobicContact CD2-CG2 4.07Å
710	Q	81.6	Confident	83.2	Confident	59 Å²	59	24.7 Å²	24.7	28%	0.276	13%	0.134	S	C	.	.	B	Isolated β-bridge	trans	-117.2	137.7	175.9	-62.2	-177	49	0	0	109.8	F627 S708 H715	F627-Q710 HydrophobicContact CD2-CG 3.82Å; F627-Q710 HydrophobicContact CE2-CG 3.61Å; F627-Q710 PolarHBondContact O-NE2 2.91Å; S708-Q710 VanDerWaalsContact C-N 3.32Å; S708-Q710 PolarHBondContact OG-N 3.12Å; S708-Q710 PolarHBondContact OG-O 3.31Å; Q710-H715 CarbonylContact C-O 3.49Å; Q710-H715 WeakPolarHBondContact CA-O 3.49Å
711	S	78.1	Confident	83.2	Confident	8 Å²	8	24.5 Å²	24.5	6%	0.056	13%	0.133	C	C	.	.			trans	-66.4	157.6	157.3	-176.2	0	0	0	0	109.1	E254 S255 T713 G714 H715	E254-S711 WeakPolarHBondContact O-CB 3.46Å; E254-S711 PolarHBondContact O-OG 3.41Å; S255-S711 PolarHBondContact OG-OG 3.45Å; S711-T713 PolarHBondContact O-N 3.11Å; S711-T713 VanDerWaalsContact O-N 3.14Å; S711-T713 PolarHBondContact OG-OG1 3.16Å; S711-G714 PolarHBondContact O-N 3.31Å; S711-H715 PolarHBondContact N-O 2.98Å
712	R	71.4	Confident	83.5	Confident	80 Å²	80	24.5 Å²	24.5	30%	0.302	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-14.9	-176.7	-52.9	176.1	-140.1	-163	-1	112.5	E254 G714 I869	E254-R712 IonicContact OE1-CZ 3.56Å; E254-R712 IonicContact OE1-NE 3.37Å; E254-R712 PolarHBondContact OE1-NE 3.09Å; E254-R712 IonicContact OE1-NH2 3.84Å; E254-R712 PolarHBondContact OE1-NH2 3.05Å; R712-G714 VanDerWaalsContact C-N 3.32Å; R712-I869 HydrophobicContact CB-CG2 3.92Å; R712-I869 WeakPolarHBondContact CD-O 3.49Å; R712-I869 PolarHBondContact NH1-O 3.22Å; R712-I869 VanDerWaalsContact NH1-O 3.12Å
713	T	68.2	Low	83.9	Confident	24 Å²	24	24.5 Å²	24.5	15%	0.147	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-5.7	170.3	55.9	0	0	0	0	113.9	Q218 S255 S711 H715	Q218-T713 HydrophobicContact CG-CG2 4.3Å; S255-T713 VanDerWaalsContact OG-CG2 3.28Å; S255-T713 WeakPolarHBondContact OG-CG2 3.32Å; S255-T713 PolarHBondContact OG-OG1 3Å; S711-T713 PolarHBondContact O-N 3.11Å; S711-T713 VanDerWaalsContact O-N 3.14Å; S711-T713 PolarHBondContact OG-OG1 3.16Å; T713-H715 VanDerWaalsContact C-N 3.32Å
714	G	70.1	Confident	84.1	Confident	22 Å²	22	23.8 Å²	23.8	23%	0.227	13%	0.13	C	C	.	.	S	Bend	trans	84.1	-1.1	-177.6	0	0	0	0	0	115.1	R628 S711 R712	R628-G714 PolarHBondContact NH2-O 3.24Å; S711-G714 PolarHBondContact O-N 3.31Å; R712-G714 VanDerWaalsContact C-N 3.32Å
715	H	78.8	Confident	84.3	Confident	32 Å²	32	23.9 Å²	23.9	15%	0.148	13%	0.131	C	C	.	.			trans	-69.2	153.1	165.1	-163.1	90.2	0	0	0	110.6	F222 S255 Q710 S711 T713	F222-H715 AromaticContact CD1-ND1 3.51Å; F222-H715 HydrophobicContact CE1-CB 3.99Å; F222-H715 AromaticContact CE1-CE1 4Å; F222-H715 AromaticContact CE1-CG 3.84Å; F222-H715 AromaticContact CE1-ND1 3.06Å; F222-H715 WeakPolarHBondContact CE1-ND1 3.31Å; F222-H715 HydrophobicContact CZ-CB 3.89Å; F222-H715 AromaticContact CZ-ND1 3.76Å; S255-H715 PolarHBondContact O-CD2 3.37Å; S255-H715 VanDerWaalsContact O-CG 3.26Å; Q710-H715 CarbonylContact C-O 3.49Å; Q710-H715 WeakPolarHBondContact CA-O 3.49Å; S711-H715 PolarHBondContact N-O 2.98Å; T713-H715 VanDerWaalsContact C-N 3.32Å
716	T	83.1	Confident	84.5	Confident	18 Å²	18	23 Å²	23	11%	0.11	13%	0.126	C	C	.	.	B	Isolated β-bridge	trans	-87.1	113.7	-178.7	48.4	0	0	0	0	110.5	Y557 F627 L709 M718	Y557-T716 WeakPolarHBondContact OH-CB 3.18Å; Y557-T716 PolarHBondContact OH-O 2.84Å; Y557-T716 PolarHBondContact OH-OG1 2.93Å; F627-T716 HydrophobicContact CE2-CG2 3.89Å; F627-T716 HydrophobicContact CZ-CG2 3.56Å; L709-T716 CarbonylContact O-C 3.27Å; T716-M718 PolarHBondContact O-N 3.03Å
717	H	83.9	Confident	84.6	Confident	49 Å²	49	21.6 Å²	21.6	23%	0.227	12%	0.115	C	C	.	.			trans	-71.3	97.5	-174.2	-174.3	-111.7	0	0	0	110.5	L709 S720 V721	L709-H717 PolarHBondContact O-N 2.99Å; H717-S720 PolarHBondContact ND1-N 3.25Å; H717-S720 PolarHBondContact ND1-OG 3.35Å; H717-S720 WeakPolarHBondContact O-CB 3.27Å; H717-S720 PolarHBondContact O-N 3.09Å; H717-V721 PolarHBondContact O-N 3.27Å; H717-V721 VanDerWaalsContact O-N 3.14Å
718	M	85.5	Confident	84.6	Confident	18 Å²	18	19.7 Å²	19.7	9%	0.089	11%	0.105	C	C	.	.	H	α-helix	trans	-53.4	-45.8	-171.7	179.7	-174	75.4	0	0	113.6	M486 L521 Y557 T716 S720 V721 V722	M486-M718 HydrophobicContact CE-CE 4.28Å; L521-M718 HydrophobicContact CD1-CG 4.38Å; L521-M718 HydrophobicContact CD1-SD 4.34Å; L521-M718 HydrophobicContact CD2-CE 3.68Å; L521-M718 HydrophobicContact CD2-CG 3.82Å; L521-M718 HydrophobicContact CD2-SD 3.61Å; L521-M718 HydrophobicContact CG-CE 4.28Å; L521-M718 HydrophobicContact CG-CG 4.2Å; L521-M718 HydrophobicContact CG-SD 3.67Å; Y557-M718 HydrophobicContact CD1-CG 4Å; Y557-M718 HydrophobicContact CD1-SD 4.16Å; Y557-M718 HydrophobicContact CE1-CB 3.78Å; Y557-M718 HydrophobicContact CE1-CG 3.68Å; Y557-M718 HydrophobicContact CE1-SD 4.19Å; Y557-M718 WeakPolarHBondContact OH-CA 3.32Å; T716-M718 PolarHBondContact O-N 3.03Å; M718-S720 VanDerWaalsContact C-N 3.29Å; M718-S720 PolarHBondContact O-N 3.45Å; M718-V721 PolarHBondContact O-N 3.48Å; M718-V722 HydrophobicContact CG-CG2 4.49Å; M718-V722 WeakPolarHBondContact O-CG2 3.35Å; M718-V722 PolarHBondContact O-N 3.32Å
719	P	88.6	Confident	84.7	Confident	12 Å²	12	18.1 Å²	18.1	8%	0.078	9%	0.093	C	C	.	.	H	α-helix	trans	-61.1	-34.1	176.5	-22.3	34	0	0	0	113.6	N452 M486 G723 L742	N452-P719 VanDerWaalsContact ND2-CG 3.29Å; N452-P719 WeakPolarHBondContact ND2-CG 3.2Å; M486-P719 HydrophobicContact CE-CB 4.06Å; M486-P719 HydrophobicContact CE-CG 4.03Å; P719-G723 PolarHBondContact O-N 3.12Å; P719-L742 HydrophobicContact CB-CB 4.35Å; P719-L742 WeakPolarHBondContact O-CB 3.31Å
720	S	90.1	Very high	84.7	Confident	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-69.2	-43.5	175.7	-64.8	0	0	0	0	112.4	S708 H717 M718 G723 V724	S708-S720 WeakPolarHBondContact O-CB 3.28Å; S708-S720 PolarHBondContact O-OG 2.82Å; H717-S720 PolarHBondContact ND1-N 3.25Å; H717-S720 PolarHBondContact ND1-OG 3.35Å; H717-S720 WeakPolarHBondContact O-CB 3.27Å; H717-S720 PolarHBondContact O-N 3.09Å; M718-S720 VanDerWaalsContact C-N 3.29Å; M718-S720 PolarHBondContact O-N 3.45Å; S720-G723 PolarHBondContact O-N 3.38Å; S720-V724 WeakPolarHBondContact O-CB 3.42Å; S720-V724 VanDerWaalsContact O-CG2 3.31Å; S720-V724 WeakPolarHBondContact O-CG2 3.48Å; S720-V724 PolarHBondContact O-N 3Å
721	V	90.9	Very high	84.7	Confident	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-63.5	-45.8	-180	178.7	0	0	0	0	110.5	Y557 M588 F624 F627 L709 H717 M718 L725	Y557-V721 HydrophobicContact CE2-CB 4.14Å; Y557-V721 HydrophobicContact CE2-CG1 3.96Å; Y557-V721 HydrophobicContact CE2-CG2 4.46Å; M588-V721 HydrophobicContact CE-CG1 3.72Å; M588-V721 HydrophobicContact SD-CG1 3.82Å; F624-V721 HydrophobicContact CD1-CG1 3.95Å; F624-V721 HydrophobicContact CE1-CG1 4.16Å; F627-V721 HydrophobicContact CZ-CG2 4.25Å; L709-V721 HydrophobicContact CB-CG2 4.36Å; L709-V721 HydrophobicContact CD2-CG2 4.14Å; H717-V721 PolarHBondContact O-N 3.27Å; H717-V721 VanDerWaalsContact O-N 3.14Å; M718-V721 PolarHBondContact O-N 3.48Å; V721-L725 WeakPolarHBondContact O-CB 3.48Å; V721-L725 PolarHBondContact O-N 3.45Å
722	V	91.1	Very high	84.9	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-64.8	-45.9	176	174.1	0	0	0	0	111.5	M486 L518 L521 L554 M718 V724 L725 V726	M486-V722 HydrophobicContact SD-CG1 4.29Å; L518-V722 HydrophobicContact CD2-CG1 3.61Å; L521-V722 HydrophobicContact CD1-CG2 3.72Å; L521-V722 HydrophobicContact CD2-CG2 3.91Å; L521-V722 HydrophobicContact CG-CG2 4.5Å; L554-V722 HydrophobicContact CD2-CB 4.25Å; L554-V722 HydrophobicContact CD2-CG1 3.82Å; L554-V722 HydrophobicContact CD2-CG2 3.68Å; M718-V722 HydrophobicContact CG-CG2 4.49Å; M718-V722 WeakPolarHBondContact O-CG2 3.35Å; M718-V722 PolarHBondContact O-N 3.32Å; V722-V724 VanDerWaalsContact C-N 3.35Å; V722-V724 PolarHBondContact O-N 3.31Å; V722-L725 PolarHBondContact O-N 3.04Å; V722-V726 HydrophobicContact CG1-CG2 4.32Å; V722-V726 WeakPolarHBondContact O-CG2 3.39Å; V722-V726 PolarHBondContact O-N 3.37Å
723	G	90.9	Very high	85.6	Confident	0 Å²	0	20 Å²	20	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-58.5	-43.8	178.4	0	0	0	0	0	113	P719 S720 F727 F739	P719-G723 PolarHBondContact O-N 3.12Å; S720-G723 PolarHBondContact O-N 3.38Å; G723-F727 WeakPolarHBondContact O-CB 3.46Å; G723-F727 PolarHBondContact O-N 2.87Å; G723-F739 VanDerWaalsContact CA-O 3.24Å; G723-F739 WeakPolarHBondContact CA-O 3.45Å
724	V	92.1	Very high	86.4	Confident	10 Å²	10	22 Å²	22	6%	0.061	10%	0.104	C	C	.	.	H	α-helix	trans	-70.9	-38.6	176.9	173.4	0	0	0	0	111.9	F624 I658 I707 L709 S720 V722 F727 T728 L740 A743	F624-V724 HydrophobicContact CE1-CB 4.44Å; F624-V724 HydrophobicContact CE1-CG1 4.14Å; F624-V724 HydrophobicContact CZ-CG1 4.06Å; I658-V724 HydrophobicContact CD1-CG1 4.16Å; I658-V724 HydrophobicContact CG1-CG1 3.73Å; I658-V724 HydrophobicContact CG2-CG1 4.21Å; I707-V724 HydrophobicContact CG2-CG2 4.15Å; L709-V724 HydrophobicContact CD2-CB 4.32Å; L709-V724 HydrophobicContact CD2-CG2 4.07Å; S720-V724 WeakPolarHBondContact O-CB 3.42Å; S720-V724 VanDerWaalsContact O-CG2 3.31Å; S720-V724 WeakPolarHBondContact O-CG2 3.48Å; S720-V724 PolarHBondContact O-N 3Å; V722-V724 VanDerWaalsContact C-N 3.35Å; V722-V724 PolarHBondContact O-N 3.31Å; V724-F727 PolarHBondContact O-N 3.22Å; V724-T728 VanDerWaalsContact O-CG2 3.25Å; V724-T728 WeakPolarHBondContact O-CG2 3.33Å; V724-T728 PolarHBondContact O-N 3.17Å; V724-L740 HydrophobicContact CG2-CD1 4.14Å; V724-A743 HydrophobicContact CG2-CB 3.73Å
725	L	91.8	Very high	87.2	Confident	1 Å²	1	21.1 Å²	21.1	1%	0.005	9%	0.094	C	C	.	.	H	α-helix	trans	-62.4	-50.7	175.5	179.3	70.5	0	0	0	111.9	L554 Y584 M588 F624 V721 V722 F727 T728	L554-L725 HydrophobicContact CD2-CD2 4.17Å; Y584-L725 HydrophobicContact CD1-CD1 3.8Å; Y584-L725 HydrophobicContact CE1-CD1 4.21Å; Y584-L725 HydrophobicContact CG-CD1 4.22Å; M588-L725 HydrophobicContact CE-CB 4.46Å; M588-L725 HydrophobicContact CE-CD1 4.34Å; M588-L725 HydrophobicContact CE-CD2 3.97Å; M588-L725 HydrophobicContact CE-CG 4.48Å; M588-L725 HydrophobicContact CG-CD2 3.99Å; M588-L725 HydrophobicContact SD-CD2 3.82Å; F624-L725 HydrophobicContact CE1-CB 4.34Å; F624-L725 HydrophobicContact CE2-CD1 3.8Å; F624-L725 HydrophobicContact CZ-CB 3.88Å; F624-L725 HydrophobicContact CZ-CD1 4.03Å; V721-L725 WeakPolarHBondContact O-CB 3.48Å; V721-L725 PolarHBondContact O-N 3.45Å; V722-L725 PolarHBondContact O-N 3.04Å; L725-F727 VanDerWaalsContact C-N 3.29Å; L725-F727 PolarHBondContact O-N 3.42Å; L725-T728 PolarHBondContact O-N 2.97Å; L725-T728 PolarHBondContact O-OG1 3.15Å
726	V	91.9	Very high	87.7	Confident	2 Å²	2	20 Å²	20	1%	0.012	9%	0.089	C	C	.	.	H	α-helix	trans	-67.2	-35.2	-179.2	178.7	0	0	0	0	110.5	V550 V722 T728 Q729 L736 F739	V550-V726 HydrophobicContact CG1-CG2 4.36Å; V722-V726 HydrophobicContact CG1-CG2 4.32Å; V722-V726 WeakPolarHBondContact O-CG2 3.39Å; V722-V726 PolarHBondContact O-N 3.37Å; V726-T728 VanDerWaalsContact C-N 3.34Å; V726-T728 PolarHBondContact O-N 3.27Å; V726-Q729 PolarHBondContact O-N 3.38Å; V726-L736 HydrophobicContact CG1-CB 4.18Å; V726-L736 HydrophobicContact CG1-CD1 4.4Å; V726-L736 HydrophobicContact CG1-CD2 3.87Å; V726-L736 HydrophobicContact CG1-CG 4.35Å; V726-F739 HydrophobicContact CB-CB 3.98Å; V726-F739 HydrophobicContact CB-CD1 4.07Å; V726-F739 HydrophobicContact CB-CD2 4.46Å; V726-F739 HydrophobicContact CB-CG 3.93Å; V726-F739 HydrophobicContact CG1-CB 3.92Å; V726-F739 HydrophobicContact CG1-CD1 3.82Å; V726-F739 HydrophobicContact CG1-CD2 3.52Å; V726-F739 HydrophobicContact CG1-CE1 4.19Å; V726-F739 HydrophobicContact CG1-CE2 3.91Å; V726-F739 HydrophobicContact CG1-CG 3.47Å; V726-F739 VanDerWaalsContact CG1-CG 3.47Å; V726-F739 HydrophobicContact CG1-CZ 4.24Å; V726-F739 HydrophobicContact CG2-CD1 4.4Å
727	F	92.1	Very high	88.1	Confident	23 Å²	23	19.1 Å²	19.1	10%	0.101	8%	0.084	C	C	.	.	H	α-helix	trans	-56.1	-41	171.7	171.2	-97.2	0	0	0	112.8	I697 G723 V724 L725 Q729 F730 L740	I697-F727 HydrophobicContact CD1-CZ 4.1Å; G723-F727 WeakPolarHBondContact O-CB 3.46Å; G723-F727 PolarHBondContact O-N 2.87Å; V724-F727 PolarHBondContact O-N 3.22Å; L725-F727 VanDerWaalsContact C-N 3.29Å; L725-F727 PolarHBondContact O-N 3.42Å; F727-Q729 PolarHBondContact O-N 3.33Å; F727-Q729 VanDerWaalsContact O-N 3.07Å; F727-F730 WeakPolarHBondContact O-CD1 3.34Å; F727-F730 PolarHBondContact O-N 2.88Å; F727-F730 VanDerWaalsContact O-N 3.14Å; F727-L740 HydrophobicContact CB-CB 4.36Å; F727-L740 HydrophobicContact CB-CD1 4.35Å; F727-L740 HydrophobicContact CD1-CD1 4.34Å; F727-L740 HydrophobicContact CD2-CB 3.76Å; F727-L740 HydrophobicContact CD2-CD1 4.33Å; F727-L740 HydrophobicContact CD2-CD2 3.98Å; F727-L740 HydrophobicContact CD2-CG 4.25Å; F727-L740 HydrophobicContact CE2-CB 4.38Å; F727-L740 HydrophobicContact CE2-CD2 3.82Å; F727-L740 HydrophobicContact CG-CB 4.2Å; F727-L740 HydrophobicContact CG-CD1 4.09Å; F727-L740 HydrophobicContact CG-CD2 4.48Å; F727-L740 HydrophobicContact CZ-CD2 4.17Å
728	T	88.3	Confident	88.5	Confident	1 Å²	1	16.8 Å²	16.8	1%	0.006	7%	0.073	C	C	.	.	H	α-helix	trans	-63.3	-19.6	-177.9	77.9	0	0	0	0	113.6	M654 I658 V724 L725 V726 F730	M654-T728 HydrophobicContact CE-CG2 3.54Å; I658-T728 HydrophobicContact CD1-CG2 4.06Å; V724-T728 VanDerWaalsContact O-CG2 3.25Å; V724-T728 WeakPolarHBondContact O-CG2 3.33Å; V724-T728 PolarHBondContact O-N 3.17Å; L725-T728 PolarHBondContact O-N 2.97Å; L725-T728 PolarHBondContact O-OG1 3.15Å; V726-T728 VanDerWaalsContact C-N 3.34Å; V726-T728 PolarHBondContact O-N 3.27Å; T728-F730 VanDerWaalsContact C-N 3.25Å; T728-F730 PolarHBondContact O-N 2.81Å
729	Q	86.4	Confident	88.8	Confident	9 Å²	9	16 Å²	16	4%	0.042	7%	0.069	C	C	.	.	G	3₁₀ helix	trans	-82	7.9	178.9	-52.5	-50	-76.8	0	0	114	V550 Y584 V726 F727 W731 F732 L736	V550-Q729 HydrophobicContact CG2-CG 4.34Å; Y584-Q729 PolarHBondContact OH-NE2 3.01Å; Y584-Q729 PolarHBondContact OH-OE1 2.88Å; V726-Q729 PolarHBondContact O-N 3.38Å; F727-Q729 PolarHBondContact O-N 3.33Å; F727-Q729 VanDerWaalsContact O-N 3.07Å; Q729-W731 PolarHBondContact O-N 2.89Å; Q729-F732 HydrophobicContact CB-CD2 4.42Å; Q729-F732 PolarHBondContact O-N 3.45Å; Q729-L736 HydrophobicContact CB-CD1 3.9Å
730	F	83.7	Confident	89.1	Confident	19 Å²	19	15.6 Å²	15.6	8%	0.083	7%	0.067	C	C	.	.	G	3₁₀ helix	trans	-53.1	-25	-178	74.4	-103	0	0	0	114.6	F689 F727 T728 F732 W733 F734	F689-F730 HydrophobicContact CD1-CE2 4.42Å; F689-F730 AromaticContact CE1-CD2 3.91Å; F689-F730 HydrophobicContact CE1-CD2 3.91Å; F689-F730 AromaticContact CE1-CE2 3.91Å; F689-F730 HydrophobicContact CE1-CE2 3.91Å; F727-F730 WeakPolarHBondContact O-CD1 3.34Å; F727-F730 PolarHBondContact O-N 2.88Å; F727-F730 VanDerWaalsContact O-N 3.14Å; T728-F730 VanDerWaalsContact C-N 3.25Å; T728-F730 PolarHBondContact O-N 2.81Å; F730-F732 VanDerWaalsContact C-N 3.28Å; F730-F732 PolarHBondContact O-N 2.99Å; F730-W733 CarbonylContact O-C 3.57Å; F730-W733 VanDerWaalsContact O-C 3.25Å; F730-W733 PolarHBondContact O-N 3.39Å; F730-F734 PolarHBondContact O-N 2.97Å
731	W	81.4	Confident	89.2	Confident	107 Å²	107	15.6 Å²	15.6	41%	0.405	7%	0.067	S	C	.	.	G	3₁₀ helix	trans	-58	-36	174.9	-68	104.9	0	0	0	113.8	Y650 M686 Q729	Y650-W731 HydrophobicContact CD2-CZ2 4.42Å; Y650-W731 AromaticContact CE1-NE1 3.87Å; Y650-W731 AromaticContact CE2-CZ2 3.76Å; Y650-W731 HydrophobicContact CE2-CZ2 3.76Å; Y650-W731 AromaticContact CE2-NE1 3.69Å; Y650-W731 AromaticContact CZ-NE1 3.23Å; Y650-W731 PolarHBondContact OH-NE1 2.87Å; M686-W731 HydrophobicContact SD-CZ3 4.37Å; Q729-W731 PolarHBondContact O-N 2.89Å
732	F	82.9	Confident	89.2	Confident	48 Å²	48	16 Å²	16	21%	0.211	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-30.5	178	-59.5	-66.1	0	0	0	111.6	D613 Q729 F730	D613-F732 WeakPolarHBondContact OD2-CZ 3.14Å; Q729-F732 HydrophobicContact CB-CD2 4.42Å; Q729-F732 PolarHBondContact O-N 3.45Å; F730-F732 VanDerWaalsContact C-N 3.28Å; F730-F732 PolarHBondContact O-N 2.99Å
733	W	85.6	Confident	89.1	Confident	26 Å²	26	16 Å²	16	10%	0.098	7%	0.068	C	C	.	.			trans	-154.5	103.9	-176.3	-160.6	-127.8	0	0	0	113	W399 H475 F730 P735 L736	W399-W733 AromaticContact CD2-CH2 3.53Å; W399-W733 HydrophobicContact CD2-CH2 3.53Å; W399-W733 AromaticContact CD2-CZ2 3.85Å; W399-W733 HydrophobicContact CD2-CZ2 3.85Å; W399-W733 HydrophobicContact CD2-CZ3 4.35Å; W399-W733 AromaticContact CE2-CH2 3.31Å; W399-W733 AromaticContact CE2-CZ2 3.96Å; W399-W733 AromaticContact CE3-CH2 3.78Å; W399-W733 HydrophobicContact CE3-CH2 3.78Å; W399-W733 AromaticContact CE3-CZ2 3.57Å; W399-W733 HydrophobicContact CE3-CZ2 3.57Å; W399-W733 HydrophobicContact CG-CH2 4.22Å; W399-W733 AromaticContact CH2-CH2 3.72Å; W399-W733 HydrophobicContact CH2-CH2 3.72Å; W399-W733 AromaticContact CH2-CZ2 3.61Å; W399-W733 HydrophobicContact CH2-CZ2 3.61Å; W399-W733 AromaticContact CZ2-CH2 3.44Å; W399-W733 HydrophobicContact CZ2-CH2 3.44Å; W399-W733 VanDerWaalsContact CZ2-CH2 3.44Å; W399-W733 AromaticContact CZ2-CZ2 3.87Å; W399-W733 HydrophobicContact CZ2-CZ2 3.87Å; W399-W733 AromaticContact CZ3-CH2 3.87Å; W399-W733 HydrophobicContact CZ3-CH2 3.87Å; W399-W733 AromaticContact CZ3-CZ2 3.45Å; W399-W733 HydrophobicContact CZ3-CZ2 3.45Å; W399-W733 VanDerWaalsContact CZ3-CZ2 3.45Å; W399-W733 AromaticContact NE1-CH2 3.84Å; H475-W733 AromaticContact CE1-CE2 3.71Å; H475-W733 AromaticContact CE1-CZ2 3.67Å; H475-W733 AromaticContact CE1-NE1 3.38Å; H475-W733 PolarHBondContact CE1-NE1 3.45Å; H475-W733 AromaticContact NE2-CE2 3.56Å; H475-W733 AromaticContact NE2-CZ2 3.53Å; H475-W733 AromaticContact NE2-NE1 3.05Å; H475-W733 PolarHBondContact NE2-NE1 3.43Å; F730-W733 CarbonylContact O-C 3.57Å; F730-W733 VanDerWaalsContact O-C 3.25Å; F730-W733 PolarHBondContact O-N 3.39Å; W733-P735 VanDerWaalsContact C-CD 3.44Å; W733-P735 HydrophobicContact CD2-CG 4.47Å; W733-P735 HydrophobicContact CG-CG 4.48Å; W733-L736 HydrophobicContact CB-CD1 3.92Å; W733-L736 HydrophobicContact CB-CG 3.91Å; W733-L736 HydrophobicContact CG-CG 4.33Å; W733-L736 WeakPolarHBondContact O-CB 3.35Å; W733-L736 WeakPolarHBondContact O-CG 3.34Å; W733-L736 PolarHBondContact O-N 3.17Å
734	F	85.6	Confident	89.2	Confident	66 Å²	66	16.9 Å²	16.9	29%	0.289	7%	0.072	S	C	.	.	G	3₁₀ helix	trans	-53.9	-37.5	-178.4	-61.7	-62.7	0	0	0	115.3	F689 F730 L736 S737	F689-F734 HydrophobicContact CE1-CD1 4.44Å; F689-F734 HydrophobicContact CE1-CE1 4.47Å; F689-F734 AromaticContact CE2-CD1 3.98Å; F689-F734 HydrophobicContact CE2-CD1 3.98Å; F689-F734 HydrophobicContact CE2-CE1 4.11Å; F689-F734 AromaticContact CZ-CD1 3.68Å; F689-F734 HydrophobicContact CZ-CD1 3.68Å; F689-F734 AromaticContact CZ-CE1 3.99Å; F689-F734 HydrophobicContact CZ-CE1 3.99Å; F730-F734 PolarHBondContact O-N 2.97Å; F734-L736 PolarHBondContact O-N 3.26Å; F734-L736 VanDerWaalsContact O-N 3.14Å; F734-S737 VanDerWaalsContact O-CB 3.32Å; F734-S737 WeakPolarHBondContact O-CB 3.17Å; F734-S737 PolarHBondContact O-N 3.08Å; F734-S737 PolarHBondContact O-OG 3.37Å
735	P	86.9	Confident	89	Confident	2 Å²	2	17.9 Å²	17.9	1%	0.013	8%	0.078	C	C	.	.	G	3₁₀ helix	trans	-59.6	-21.5	176.2	-26.7	36.2	0	0	0	114.8	F402 Y444 W733 S737 H738	F402-P735 HydrophobicContact CD1-CB 4.02Å; F402-P735 HydrophobicContact CD1-CG 3.85Å; F402-P735 HydrophobicContact CE1-CB 3.85Å; F402-P735 HydrophobicContact CE1-CG 4.09Å; Y444-P735 HydrophobicContact CE1-CB 4.48Å; Y444-P735 PolarHBondContact OH-O 3.14Å; W733-P735 VanDerWaalsContact C-CD 3.44Å; W733-P735 HydrophobicContact CD2-CG 4.47Å; W733-P735 HydrophobicContact CG-CG 4.48Å; P735-S737 PolarHBondContact O-N 3.17Å; P735-S737 VanDerWaalsContact O-N 3.12Å; P735-H738 PolarHBondContact O-CD2 3.47Å; P735-H738 PolarHBondContact O-N 3.46Å
736	L	89.3	Confident	88.8	Confident	9 Å²	9	18.6 Å²	18.6	5%	0.047	8%	0.083	C	C	.	.	G	3₁₀ helix	trans	-63.5	-16.6	175.2	-61	-179.6	0	0	0	113	L514 V726 Q729 W733 F734 H738 F739	L514-L736 HydrophobicContact CD1-CD2 3.91Å; V726-L736 HydrophobicContact CG1-CB 4.18Å; V726-L736 HydrophobicContact CG1-CD1 4.4Å; V726-L736 HydrophobicContact CG1-CD2 3.87Å; V726-L736 HydrophobicContact CG1-CG 4.35Å; Q729-L736 HydrophobicContact CB-CD1 3.9Å; W733-L736 HydrophobicContact CB-CD1 3.92Å; W733-L736 HydrophobicContact CB-CG 3.91Å; W733-L736 HydrophobicContact CG-CG 4.33Å; W733-L736 WeakPolarHBondContact O-CB 3.35Å; W733-L736 WeakPolarHBondContact O-CG 3.34Å; W733-L736 PolarHBondContact O-N 3.17Å; F734-L736 PolarHBondContact O-N 3.26Å; F734-L736 VanDerWaalsContact O-N 3.14Å; L736-H738 PolarHBondContact O-N 3.2Å; L736-F739 HydrophobicContact CB-CD2 4.48Å; L736-F739 HydrophobicContact CD2-CD2 4.06Å; L736-F739 HydrophobicContact CD2-CE2 3.7Å; L736-F739 WeakPolarHBondContact O-CB 3.5Å; L736-F739 PolarHBondContact O-N 3.44Å; L736-F739 VanDerWaalsContact O-N 3.13Å
737	S	90.6	Very high	88.5	Confident	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.087	C	C	.	.	G	3₁₀ helix	trans	-55.2	-31.3	172.4	58.3	0	0	0	0	113.3	I371 F375 F734 P735 F739 L740	I371-S737 WeakPolarHBondContact CD1-OG 3.48Å; F375-S737 WeakPolarHBondContact CZ-O 3.02Å; F734-S737 VanDerWaalsContact O-CB 3.32Å; F734-S737 WeakPolarHBondContact O-CB 3.17Å; F734-S737 PolarHBondContact O-N 3.08Å; F734-S737 PolarHBondContact O-OG 3.37Å; P735-S737 PolarHBondContact O-N 3.17Å; P735-S737 VanDerWaalsContact O-N 3.12Å; S737-F739 VanDerWaalsContact C-N 3.25Å; S737-F739 PolarHBondContact O-N 2.65Å; S737-L740 WeakPolarHBondContact O-CB 3.46Å; S737-L740 PolarHBondContact O-N 2.7Å
738	H	92.9	Very high	88.2	Confident	0 Å²	0	18.2 Å²	18.2	0%	0	8%	0.083	C	C	.	.	G	3₁₀ helix	trans	-69.4	-17.5	-179.9	-62	-61.3	0	0	0	114.2	T403 S407 V410 Y444 L448 P735 L736 L740 S741	T403-H738 WeakPolarHBondContact CG2-NE2 3.27Å; T403-H738 PolarHBondContact O-NE2 3.32Å; S407-H738 PolarHBondContact OG-CE1 2.95Å; V410-H738 HydrophobicContact CG2-CB 4.1Å; Y444-H738 HydrophobicContact CE1-CB 4.26Å; L448-H738 HydrophobicContact CD1-CB 3.74Å; L448-H738 HydrophobicContact CD2-CB 4.18Å; P735-H738 PolarHBondContact O-CD2 3.47Å; P735-H738 PolarHBondContact O-N 3.46Å; L736-H738 PolarHBondContact O-N 3.2Å; H738-L740 PolarHBondContact O-N 2.77Å; H738-S741 VanDerWaalsContact O-CB 3.29Å; H738-S741 WeakPolarHBondContact O-CB 3.09Å; H738-S741 PolarHBondContact O-N 2.96Å; H738-S741 PolarHBondContact O-OG 2.93Å
739	F	92.5	Very high	88.1	Confident	1 Å²	1	18.2 Å²	18.2	0%	0.004	8%	0.082	C	C	.	.	G	3₁₀ helix	trans	-63.4	-18.7	172.9	-78.3	-98.4	0	0	0	112.9	Y444 L479 L483 L518 G723 V726 L736 S737 S741 L742	Y444-F739 AromaticContact CE2-CE2 3.98Å; Y444-F739 HydrophobicContact CE2-CE2 3.98Å; Y444-F739 HydrophobicContact CE2-CZ 4.25Å; Y444-F739 AromaticContact CZ-CE2 3.86Å; Y444-F739 WeakPolarHBondContact OH-CD2 3.44Å; Y444-F739 WeakPolarHBondContact OH-CE2 3.46Å; L479-F739 HydrophobicContact CD2-CZ 4.36Å; L483-F739 HydrophobicContact CD1-CE1 4.26Å; L483-F739 HydrophobicContact CD1-CZ 4.26Å; L483-F739 HydrophobicContact CD2-CD1 3.96Å; L483-F739 HydrophobicContact CD2-CE1 3.56Å; L483-F739 HydrophobicContact CD2-CZ 4.34Å; L483-F739 HydrophobicContact CG-CE1 3.96Å; L483-F739 HydrophobicContact CG-CZ 4.29Å; L518-F739 HydrophobicContact CD1-CE1 3.88Å; L518-F739 HydrophobicContact CD1-CZ 4.3Å; G723-F739 VanDerWaalsContact CA-O 3.24Å; G723-F739 WeakPolarHBondContact CA-O 3.45Å; V726-F739 HydrophobicContact CB-CB 3.98Å; V726-F739 HydrophobicContact CB-CD1 4.07Å; V726-F739 HydrophobicContact CB-CD2 4.46Å; V726-F739 HydrophobicContact CB-CG 3.93Å; V726-F739 HydrophobicContact CG1-CB 3.92Å; V726-F739 HydrophobicContact CG1-CD1 3.82Å; V726-F739 HydrophobicContact CG1-CD2 3.52Å; V726-F739 HydrophobicContact CG1-CE1 4.19Å; V726-F739 HydrophobicContact CG1-CE2 3.91Å; V726-F739 HydrophobicContact CG1-CG 3.47Å; V726-F739 VanDerWaalsContact CG1-CG 3.47Å; V726-F739 HydrophobicContact CG1-CZ 4.24Å; V726-F739 HydrophobicContact CG2-CD1 4.4Å; L736-F739 HydrophobicContact CB-CD2 4.48Å; L736-F739 HydrophobicContact CD2-CD2 4.06Å; L736-F739 HydrophobicContact CD2-CE2 3.7Å; L736-F739 WeakPolarHBondContact O-CB 3.5Å; L736-F739 PolarHBondContact O-N 3.44Å; L736-F739 VanDerWaalsContact O-N 3.13Å; S737-F739 VanDerWaalsContact C-N 3.25Å; S737-F739 PolarHBondContact O-N 2.65Å; F739-S741 PolarHBondContact O-N 2.93Å; F739-S741 VanDerWaalsContact O-N 3.15Å; F739-L742 HydrophobicContact CD1-CD1 3.99Å; F739-L742 WeakPolarHBondContact O-CB 3.36Å; F739-L742 WeakPolarHBondContact O-CG 3.47Å; F739-L742 PolarHBondContact O-N 2.99Å
740	L	93.4	Very high	88.1	Confident	4 Å²	4	17.8 Å²	17.8	2%	0.021	8%	0.08	C	C	.	.	G	3₁₀ helix	trans	-60.1	-23.5	172.1	-166	63.3	0	0	0	112.6	F375 I697 I707 V724 F727 S737 H738 L742 A743 Y744	F375-L740 HydrophobicContact CE1-CB 4.27Å; F375-L740 HydrophobicContact CE2-CD2 3.9Å; F375-L740 HydrophobicContact CZ-CB 4.04Å; F375-L740 HydrophobicContact CZ-CD2 3.94Å; I697-L740 HydrophobicContact CD1-CD2 3.65Å; I697-L740 HydrophobicContact CG1-CD2 3.65Å; I707-L740 HydrophobicContact CD1-CD1 3.93Å; I707-L740 HydrophobicContact CD1-CD2 4.47Å; I707-L740 HydrophobicContact CD1-CG 4.41Å; V724-L740 HydrophobicContact CG2-CD1 4.14Å; F727-L740 HydrophobicContact CB-CB 4.36Å; F727-L740 HydrophobicContact CB-CD1 4.35Å; F727-L740 HydrophobicContact CD1-CD1 4.34Å; F727-L740 HydrophobicContact CD2-CB 3.76Å; F727-L740 HydrophobicContact CD2-CD1 4.33Å; F727-L740 HydrophobicContact CD2-CD2 3.98Å; F727-L740 HydrophobicContact CD2-CG 4.25Å; F727-L740 HydrophobicContact CE2-CB 4.38Å; F727-L740 HydrophobicContact CE2-CD2 3.82Å; F727-L740 HydrophobicContact CG-CB 4.2Å; F727-L740 HydrophobicContact CG-CD1 4.09Å; F727-L740 HydrophobicContact CG-CD2 4.48Å; F727-L740 HydrophobicContact CZ-CD2 4.17Å; S737-L740 WeakPolarHBondContact O-CB 3.46Å; S737-L740 PolarHBondContact O-N 2.7Å; H738-L740 PolarHBondContact O-N 2.77Å; L740-L742 PolarHBondContact O-N 3.01Å; L740-L742 VanDerWaalsContact O-N 3.16Å; L740-A743 HydrophobicContact CD1-CB 4.3Å; L740-A743 WeakPolarHBondContact O-CB 3.48Å; L740-A743 PolarHBondContact O-N 2.96Å; L740-Y744 HydrophobicContact CD2-CE1 4.45Å; L740-Y744 WeakPolarHBondContact CD2-OH 3.45Å; L740-Y744 HydrophobicContact CG-CE1 4.32Å; L740-Y744 PolarHBondContact O-N 3.37Å
741	S	92.1	Very high	88.2	Confident	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.076	C	C	.	.	G	3₁₀ helix	trans	-62.6	-16.2	172.9	70.2	0	0	0	0	114.3	K413 H738 F739 A743	K413-S741 PolarHBondContact NZ-O 3.49Å; H738-S741 VanDerWaalsContact O-CB 3.29Å; H738-S741 WeakPolarHBondContact O-CB 3.09Å; H738-S741 PolarHBondContact O-N 2.96Å; H738-S741 PolarHBondContact O-OG 2.93Å; F739-S741 PolarHBondContact O-N 2.93Å; F739-S741 VanDerWaalsContact O-N 3.15Å; S741-A743 VanDerWaalsContact C-N 3.33Å
742	L	90.5	Very high	88.4	Confident	7 Å²	7	11.8 Å²	11.8	4%	0.037	6%	0.057	C	C	.	.	G	3₁₀ helix	trans	-77.4	-21.1	171.3	-54.6	-177.8	0	0	0	112.7	A451 L483 M486 P719 F739 L740	A451-L742 HydrophobicContact CB-CD2 3.5Å; L483-L742 HydrophobicContact CD2-CD1 3.78Å; L483-L742 HydrophobicContact CD2-CD2 4.14Å; L483-L742 HydrophobicContact CD2-CG 4.41Å; M486-L742 HydrophobicContact SD-CD1 4.36Å; P719-L742 HydrophobicContact CB-CB 4.35Å; P719-L742 WeakPolarHBondContact O-CB 3.31Å; F739-L742 HydrophobicContact CD1-CD1 3.99Å; F739-L742 WeakPolarHBondContact O-CB 3.36Å; F739-L742 WeakPolarHBondContact O-CG 3.47Å; F739-L742 PolarHBondContact O-N 2.99Å; L740-L742 PolarHBondContact O-N 3.01Å; L740-L742 VanDerWaalsContact O-N 3.16Å
743	A	91.1	Very high	88.4	Confident	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-10.4	-178.2	0	0	0	0	0	114.1	I707 V724 L740 S741 T745	I707-A743 WeakPolarHBondContact CA-O 3.33Å; I707-A743 HydrophobicContact CG2-CB 4.29Å; V724-A743 HydrophobicContact CG2-CB 3.73Å; L740-A743 HydrophobicContact CD1-CB 4.3Å; L740-A743 WeakPolarHBondContact O-CB 3.48Å; L740-A743 PolarHBondContact O-N 2.96Å; S741-A743 VanDerWaalsContact C-N 3.33Å; A743-T745 PolarHBondContact O-N 2.89Å
744	Y	91.1	Very high	88	Confident	19 Å²	19	14.4 Å²	14.4	8%	0.075	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	111	172.7	-67	-35.6	0	0	0	111.1	F375 C378 A700 V705 T706 I707 L740	F375-Y744 HydrophobicContact CB-CE2 4.1Å; F375-Y744 WeakPolarHBondContact CB-OH 3.49Å; F375-Y744 AromaticContact CD1-CE2 3.79Å; F375-Y744 HydrophobicContact CD1-CE2 3.79Å; F375-Y744 WeakPolarHBondContact CD2-OH 3.21Å; F375-Y744 HydrophobicContact CE1-CE2 4.42Å; F375-Y744 HydrophobicContact CG-CE2 4.02Å; F375-Y744 WeakPolarHBondContact CG-OH 3.44Å; C378-Y744 HydrophobicContact CB-CD2 4.3Å; A700-Y744 HydrophobicContact CB-CD1 4.37Å; A700-Y744 HydrophobicContact CB-CE1 3.82Å; A700-Y744 HydrophobicContact CB-CE2 4.27Å; V705-Y744 HydrophobicContact CB-CG 4.48Å; V705-Y744 HydrophobicContact CG2-CD1 3.96Å; V705-Y744 HydrophobicContact CG2-CG 3.93Å; T706-Y744 WeakPolarHBondContact O-CA 3.46Å; I707-Y744 HydrophobicContact CD1-CE1 4.07Å; I707-Y744 HydrophobicContact CG1-CD1 3.88Å; I707-Y744 HydrophobicContact CG1-CE1 3.9Å; L740-Y744 HydrophobicContact CD2-CE1 4.45Å; L740-Y744 WeakPolarHBondContact CD2-OH 3.45Å; L740-Y744 HydrophobicContact CG-CE1 4.32Å; L740-Y744 PolarHBondContact O-N 3.37Å
745	T	88.2	Confident	87.6	Confident	32 Å²	32	15.3 Å²	15.3	20%	0.196	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	128.1	174.5	-47.9	0	0	0	0	109.8	V705 T706 A743	V705-T745 WeakPolarHBondContact CA-O 3.43Å; T706-T745 PolarHBondContact N-O 3.05Å; T706-T745 PolarHBondContact O-N 3.49Å; A743-T745 PolarHBondContact O-N 2.89Å
746	P	88.4	Confident	87.1	Confident	15 Å²	15	15.8 Å²	15.8	10%	0.097	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	130.8	178.2	27.7	-33.4	0	0	0	112	H338 F341 V705 C748	H338-P746 HydrophobicContact CB-CG 3.96Å; F341-P746 HydrophobicContact CD1-CB 4.28Å; F341-P746 HydrophobicContact CE1-CB 4.14Å; V705-P746 HydrophobicContact CG1-CB 4.42Å; P746-C748 PolarHBondContact O-N 3.09Å
747	T	84.9	Confident	86.7	Confident	18 Å²	18	20.4 Å²	20.4	11%	0.11	10%	0.099	C	C	.	.			trans	-98.4	76.1	-177	50.1	0	0	0	0	111.3	N704 T706 R844 V845	N704-T747 PolarHBondContact O-N 3.44Å; N704-T747 PolarHBondContact O-OG1 2.81Å; T706-T747 HydrophobicContact CG2-CG2 3.41Å; T706-T747 VanDerWaalsContact CG2-CG2 3.41Å; T747-R844 WeakPolarHBondContact O-CA 3.42Å; T747-V845 PolarHBondContact O-N 2.95Å
748	C	86.2	Confident	86.1	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	164	-176.7	54.9	0	0	0	0	113.8	F341 P746 I750 A843 G871	F341-C748 HydrophobicContact CD1-CB 4Å; F341-C748 HydrophobicContact CD2-CB 4.09Å; F341-C748 HydrophobicContact CE1-CB 3.74Å; F341-C748 HydrophobicContact CE2-CB 3.87Å; F341-C748 HydrophobicContact CG-CB 4.17Å; F341-C748 HydrophobicContact CZ-CB 3.7Å; P746-C748 PolarHBondContact O-N 3.09Å; C748-I750 HydrophobicContact CB-CG1 4.31Å; C748-A843 CarbonylContact C-O 3.25Å; C748-A843 WeakPolarHBondContact CA-O 3.39Å; C748-A843 WeakPolarHBondContact CB-O 3.4Å; C748-G871 WeakPolarHBondContact O-CA 3.4Å; C748-G871 PolarHBondContact O-N 2.92Å
749	V	86.9	Confident	85.5	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	126.7	156.4	160.1	0	0	0	0	107.1	Y763 A843 V845 L850 L853 L867 G871	V749-Y763 HydrophobicContact CG1-CD2 4.3Å; V749-Y763 HydrophobicContact CG1-CE1 3.93Å; V749-Y763 HydrophobicContact CG1-CE2 3.67Å; V749-Y763 VanDerWaalsContact CG1-CZ 3.46Å; V749-A843 PolarHBondContact N-O 3.35Å; V749-A843 PolarHBondContact O-N 3.49Å; V749-V845 HydrophobicContact CB-CG2 4.29Å; V749-V845 HydrophobicContact CG2-CG2 3.71Å; V749-L850 HydrophobicContact CG2-CD2 4.16Å; V749-L853 HydrophobicContact CG2-CD2 4.38Å; V749-L867 HydrophobicContact CG1-CD2 4.37Å; V749-G871 WeakPolarHBondContact CA-O 3.21Å
750	I	86.8	Confident	85	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	109	175.2	-52.8	-174.2	0	0	0	107.2	L337 C748 L752 M758 N841 P842 G871 I872 I873	L337-I750 HydrophobicContact CB-CD1 4.01Å; L337-I750 HydrophobicContact CD2-CG2 4.35Å; C748-I750 HydrophobicContact CB-CG1 4.31Å; I750-L752 HydrophobicContact CG2-CD2 4.2Å; I750-L752 HydrophobicContact CG2-CG 4.49Å; I750-M758 HydrophobicContact CG2-CG 4.22Å; I750-M758 HydrophobicContact CG2-SD 4.33Å; I750-N841 WeakPolarHBondContact CA-OD1 3.29Å; I750-P842 HydrophobicContact CG1-CB 3.93Å; I750-G871 PolarHBondContact N-O 3.34Å; I750-I872 HydrophobicContact CB-CG1 4.29Å; I750-I872 WeakPolarHBondContact O-CA 3.44Å; I750-I873 PolarHBondContact O-N 2.97Å
751	G	84.9	Confident	84.5	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	134	169.6	0	0	0	0	0	110.6	P759 Y763 N841 I873	G751-P759 WeakPolarHBondContact O-CD 3.39Å; G751-Y763 PolarHBondContact N-OH 2.83Å; G751-N841 PolarHBondContact N-OD1 3.25Å; G751-N841 PolarHBondContact O-ND2 3.44Å; G751-I873 WeakPolarHBondContact CA-O 3.26Å
752	L	85.1	Confident	84.1	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	144.4	172.1	-63.5	179.8	0	0	0	111.4	F250 L337 I750 L756 K757 M758 I872 I873 I874 L875	F250-L752 HydrophobicContact CE2-CD1 3.99Å; F250-L752 HydrophobicContact CZ-CD1 3.79Å; L337-L752 HydrophobicContact CD1-CD1 3.71Å; L337-L752 HydrophobicContact CD1-CD2 3.84Å; L337-L752 HydrophobicContact CD1-CG 4.27Å; L337-L752 HydrophobicContact CD2-CD2 3.95Å; I750-L752 HydrophobicContact CG2-CD2 4.2Å; I750-L752 HydrophobicContact CG2-CG 4.49Å; L752-L756 HydrophobicContact CD1-CD2 4.43Å; L752-K757 CarbonylContact C-O 3.48Å; L752-K757 WeakPolarHBondContact CA-O 3.49Å; L752-M758 HydrophobicContact CD2-CG 3.84Å; L752-I872 HydrophobicContact CD1-CG2 3.49Å; L752-I872 VanDerWaalsContact CD1-CG2 3.49Å; L752-I872 HydrophobicContact CG-CG2 4.05Å; L752-I873 PolarHBondContact N-O 3.19Å; L752-I874 HydrophobicContact CB-CD1 4.33Å; L752-L875 PolarHBondContact O-N 3.34Å
753	N	82.9	Confident	83.8	Confident	4 Å²	4	30.5 Å²	30.5	2%	0.021	15%	0.145	C	C	.	.			trans	-80.4	-177.9	171.7	76.8	-6.8	0	0	0	112	D755 L756 K757 E883	N753-D755 PolarHBondContact O-N 3.13Å; N753-D755 VanDerWaalsContact OD1-C 3.26Å; N753-D755 WeakPolarHBondContact OD1-CA 3.42Å; N753-D755 PolarHBondContact OD1-N 3.34Å; N753-L756 PolarHBondContact O-N 2.93Å; N753-L756 VanDerWaalsContact O-N 3.09Å; N753-L756 PolarHBondContact OD1-N 3.21Å; N753-K757 PolarHBondContact N-O 3.27Å; N753-K757 PolarHBondContact OD1-N 3.45Å; N753-K757 PolarHBondContact OD1-O 2.98Å; N753-E883 PolarHBondContact ND2-OE2 3.14Å
754	K	78.5	Confident	83.5	Confident	126 Å²	126	33.9 Å²	33.9	55%	0.548	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-26.1	176.9	-177.9	176.7	177.2	-175.8	0	113.6	L243	L243-K754 HydrophobicContact CD1-CB 4.35Å; L243-K754 HydrophobicContact CD1-CD 4.03Å; L243-K754 HydrophobicContact CD1-CG 3.87Å
755	D	76.6	Confident	83.3	Confident	85 Å²	85	33 Å²	33	46%	0.455	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	12.6	178.5	-84.3	-31.9	0	0	0	114.3	K324 N753 K757	K324-D755 IonicContact NZ-OD1 3.12Å; K324-D755 PolarHBondContact NZ-OD1 2.88Å; N753-D755 PolarHBondContact O-N 3.13Å; N753-D755 VanDerWaalsContact OD1-C 3.26Å; N753-D755 WeakPolarHBondContact OD1-CA 3.42Å; N753-D755 PolarHBondContact OD1-N 3.34Å; D755-K757 HydrophobicContact CB-CG 4.45Å; D755-K757 PolarHBondContact O-N 3.18Å
756	L	76.9	Confident	83.1	Confident	12 Å²	12	34.6 Å²	34.6	6%	0.063	16%	0.164	C	C	.	.	S	Bend	trans	62.5	27	177.8	-50.7	172.1	0	0	0	113.8	Y246 F250 I328 M333 L752 N753 I874	Y246-L756 HydrophobicContact CD2-CD2 3.74Å; Y246-L756 HydrophobicContact CD2-CG 4.44Å; Y246-L756 HydrophobicContact CE2-CD2 4.14Å; Y246-L756 HydrophobicContact CE2-CG 4.35Å; Y246-L756 HydrophobicContact CG-CD2 4.18Å; F250-L756 HydrophobicContact CE2-CD2 4.18Å; F250-L756 HydrophobicContact CZ-CD2 4.5Å; I328-L756 HydrophobicContact CD1-CD1 3.93Å; I328-L756 HydrophobicContact CD1-CD2 4.14Å; I328-L756 HydrophobicContact CG1-CD1 4.2Å; M333-L756 HydrophobicContact CE-CB 3.65Å; M333-L756 HydrophobicContact CE-CD1 4.13Å; M333-L756 HydrophobicContact SD-CB 4.46Å; M333-L756 HydrophobicContact SD-CD1 3.83Å; L752-L756 HydrophobicContact CD1-CD2 4.43Å; N753-L756 PolarHBondContact O-N 2.93Å; N753-L756 VanDerWaalsContact O-N 3.09Å; N753-L756 PolarHBondContact OD1-N 3.21Å; L756-I874 HydrophobicContact CD2-CD1 4.37Å
757	K	80.3	Confident	82.7	Confident	106 Å²	106	35.6 Å²	35.6	46%	0.461	17%	0.171	S	C	.	.			trans	-100.9	157.6	172.2	-53.8	179.7	-168.8	165.4	0	110.1	L752 N753 D755 P759 L885	L752-K757 CarbonylContact C-O 3.48Å; L752-K757 WeakPolarHBondContact CA-O 3.49Å; N753-K757 PolarHBondContact N-O 3.27Å; N753-K757 PolarHBondContact OD1-N 3.45Å; N753-K757 PolarHBondContact OD1-O 2.98Å; D755-K757 HydrophobicContact CB-CG 4.45Å; D755-K757 PolarHBondContact O-N 3.18Å; K757-P759 VanDerWaalsContact O-CD 3.24Å; K757-P759 WeakPolarHBondContact O-CD 3.41Å; K757-L885 HydrophobicContact CB-CD1 4.36Å; K757-L885 HydrophobicContact CB-CD2 3.92Å; K757-L885 HydrophobicContact CD-CD1 3.59Å
758	M	78.2	Confident	82.5	Confident	15 Å²	15	39.7 Å²	39.7	7%	0.074	19%	0.187	C	C	.	.			trans	-86.6	111.5	177.2	-68.3	176.7	-72.5	0	0	110.8	L337 Q340 I750 L752 P842 L885 V886	L337-M758 HydrophobicContact CD2-CE 3.94Å; L337-M758 HydrophobicContact CD2-CG 3.75Å; L337-M758 HydrophobicContact CD2-SD 3.65Å; Q340-M758 HydrophobicContact CB-CE 4.47Å; I750-M758 HydrophobicContact CG2-CG 4.22Å; I750-M758 HydrophobicContact CG2-SD 4.33Å; L752-M758 HydrophobicContact CD2-CG 3.84Å; M758-P842 HydrophobicContact SD-CG 4.49Å; M758-L885 WeakPolarHBondContact O-CA 3.46Å; M758-V886 HydrophobicContact CB-CB 4.02Å; M758-V886 HydrophobicContact CB-CG2 4.35Å; M758-V886 PolarHBondContact O-N 3Å
759	P	80.8	Confident	82.1	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-77.8	153.4	170.4	32.7	-35.2	0	0	0	111.4	G751 K757 V761 N841 Y861 L875	G751-P759 WeakPolarHBondContact O-CD 3.39Å; K757-P759 VanDerWaalsContact O-CD 3.24Å; K757-P759 WeakPolarHBondContact O-CD 3.41Å; P759-V761 PolarHBondContact O-N 2.83Å; P759-N841 PolarHBondContact O-ND2 2.81Å; P759-Y861 HydrophobicContact CB-CD2 4.26Å; P759-Y861 HydrophobicContact CB-CE1 4.03Å; P759-Y861 HydrophobicContact CB-CE2 3.61Å; P759-Y861 VanDerWaalsContact CB-CZ 3.48Å; P759-Y861 HydrophobicContact CG-CE1 4.38Å; P759-Y861 HydrophobicContact CG-CE2 4.31Å; P759-L875 HydrophobicContact CG-CD1 4.03Å
760	K	80.6	Confident	81.6	Confident	115 Å²	115	44.3 Å²	44.3	50%	0.5	22%	0.219	S	C	.	.			trans	-70	113.7	167.6	-61.4	-174.2	-163.8	170.4	0	108.9	E884 L885 V886	K760-E884 HydrophobicContact CB-CB 4.45Å; K760-E884 HydrophobicContact CD-CB 4Å; K760-E884 WeakPolarHBondContact CD-OE2 3.49Å; K760-E884 WeakPolarHBondContact CE-OE2 3.11Å; K760-E884 HydrophobicContact CG-CB 4.29Å; K760-E884 PolarHBondContact N-O 2.73Å; K760-E884 IonicContact NZ-OE2 2.69Å; K760-E884 PolarHBondContact NZ-OE2 3.13Å; K760-L885 WeakPolarHBondContact CE-O 3.43Å; K760-V886 HydrophobicContact CG-CG2 3.93Å
761	V	82.9	Confident	81.2	Confident	7 Å²	7	48.5 Å²	48.5	4%	0.042	24%	0.244	C	C	.	.			trans	-149.6	147.4	-178.9	62.5	0	0	0	0	110.8	P759 Y763 N841 M855 C859 Y861 L875	P759-V761 PolarHBondContact O-N 2.83Å; V761-Y763 HydrophobicContact CG1-CE2 4.3Å; V761-N841 HydrophobicContact CG1-CB 3.51Å; V761-N841 PolarHBondContact O-N 2.94Å; V761-M855 HydrophobicContact CG2-CE 3.53Å; V761-C859 VanDerWaalsContact CG2-SG 3.55Å; V761-Y861 HydrophobicContact CB-CD2 4.23Å; V761-Y861 HydrophobicContact CG2-CD2 4.37Å; V761-L875 HydrophobicContact CG1-CD1 3.85Å
762	Q	84.5	Confident	80.8	Confident	85 Å²	85	49.8 Å²	49.8	40%	0.397	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	130.7	-176.9	-71.8	-176	-19.5	0	0	112.2	L839 D840 P856	Q762-L839 CarbonylContact C-O 3.4Å; Q762-L839 WeakPolarHBondContact CA-O 3.31Å; Q762-D840 VanDerWaalsContact CG-OD1 3.26Å; Q762-D840 WeakPolarHBondContact CG-OD1 3.38Å; Q762-D840 PolarHBondContact NE2-OD1 2.92Å; Q762-P856 VanDerWaalsContact O-CD 3.26Å; Q762-P856 WeakPolarHBondContact O-CD 3.47Å
763	Y	84.1	Confident	80.2	Confident	1 Å²	1	52.6 Å²	52.6	0%	0.004	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	138.3	175.9	-50.4	-80.2	0	0	0	110.4	V749 G751 V761 L838 L839 N841 A843 M855 L867	V749-Y763 HydrophobicContact CG1-CD2 4.3Å; V749-Y763 HydrophobicContact CG1-CE1 3.93Å; V749-Y763 HydrophobicContact CG1-CE2 3.67Å; V749-Y763 VanDerWaalsContact CG1-CZ 3.46Å; G751-Y763 PolarHBondContact N-OH 2.83Å; V761-Y763 HydrophobicContact CG1-CE2 4.3Å; Y763-L838 CarbonylContact O-C 3.56Å; Y763-L838 WeakPolarHBondContact O-CA 3.36Å; Y763-L839 WeakPolarHBondContact CD2-O 3.39Å; Y763-L839 PolarHBondContact N-O 3.46Å; Y763-L839 PolarHBondContact O-N 3.03Å; Y763-N841 HydrophobicContact CE2-CB 4.11Å; Y763-A843 HydrophobicContact CD2-CB 4.33Å; Y763-M855 HydrophobicContact CD1-CG 4.07Å; Y763-M855 HydrophobicContact CD1-SD 4.34Å; Y763-M855 HydrophobicContact CE1-CE 4.27Å; Y763-M855 HydrophobicContact CE1-CG 4.39Å; Y763-M855 HydrophobicContact CE1-SD 4.08Å; Y763-L867 HydrophobicContact CD1-CD1 4.36Å; Y763-L867 HydrophobicContact CD1-CD2 4.24Å; Y763-L867 HydrophobicContact CE1-CD2 4.18Å
764	K	85.6	Confident	79.9	Confident	71 Å²	71	55.8 Å²	55.8	31%	0.309	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	111.4	178.5	-174.6	-173.2	-179.4	-168.4	0	110.4	N766 F836 L838 T854 P856	K764-N766 VanDerWaalsContact CE-OD1 3.29Å; K764-N766 WeakPolarHBondContact CE-OD1 3.33Å; K764-F836 HydrophobicContact CG-CB 4.24Å; K764-F836 HydrophobicContact CG-CD2 4.4Å; K764-L838 HydrophobicContact CB-CD2 4.18Å; K764-L838 HydrophobicContact CG-CD2 4.41Å; K764-T854 WeakPolarHBondContact CA-O 3.47Å; K764-T854 WeakPolarHBondContact CB-O 3.47Å; K764-T854 PolarHBondContact N-O 3.48Å; K764-T854 PolarHBondContact O-N 2.72Å; K764-T854 PolarHBondContact O-OG1 2.95Å; K764-P856 HydrophobicContact CB-CG 4.45Å
765	S	85.3	Confident	79.6	Confident	1 Å²	1	52.4 Å²	52.4	1%	0.007	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	117	169.8	176.8	0	0	0	0	109.4	C767 F836 Q837	S765-C767 PolarHBondContact O-N 3.1Å; S765-F836 CarbonylContact O-C 3.55Å; S765-F836 WeakPolarHBondContact O-CA 3.42Å; S765-Q837 PolarHBondContact N-O 3.37Å; S765-Q837 PolarHBondContact O-N 3.3Å
766	N	84	Confident	79.4	Confident	66 Å²	66	52.4 Å²	52.4	35%	0.353	29%	0.288	S	S	.	.			trans	-85.6	52.4	-178.5	-58.3	-76.4	0	0	0	111.6	K764 V852 T854	K764-N766 VanDerWaalsContact CE-OD1 3.29Å; K764-N766 WeakPolarHBondContact CE-OD1 3.33Å; N766-V852 WeakPolarHBondContact CB-O 3.39Å; N766-V852 PolarHBondContact N-O 3.42Å; N766-V852 PolarHBondContact ND2-O 3.27Å; N766-T854 PolarHBondContact ND2-OG1 3.11Å
767	C	80.9	Confident	79	Confident	36 Å²	36	56.4 Å²	56.4	24%	0.243	32%	0.315	C	S	.	.	S	Bend	trans	-148.7	159.5	176.9	-93	0	0	0	0	110.7	S765 F772 N835 V852	S765-C767 PolarHBondContact O-N 3.1Å; C767-F772 HydrophobicContact CB-CD2 4.32Å; C767-F772 HydrophobicContact CB-CE2 3.89Å; C767-N835 CarbonylContact C-O 3.55Å; C767-N835 PolarHBondContact N-O 2.95Å; C767-V852 HydrophobicContact CB-CG2 4.23Å
768	K	80.9	Confident	78.5	Confident	104 Å²	104	55.9 Å²	55.9	45%	0.452	32%	0.316	S	S	.	.			trans	-65.8	139.1	176.1	-64.7	-175.3	177.3	-174.5	0	111.3	S770 T771 N835	K768-S770 VanDerWaalsContact C-N 3.34Å; K768-S770 PolarHBondContact O-N 2.92Å; K768-T771 WeakPolarHBondContact O-CB 3.3Å; K768-T771 PolarHBondContact O-N 2.86Å; K768-T771 VanDerWaalsContact O-N 3.09Å; K768-T771 PolarHBondContact O-OG1 3.4Å; K768-N835 VanDerWaalsContact CE-OD1 3.24Å; K768-N835 WeakPolarHBondContact CE-OD1 3.48Å
769	P	77.4	Confident	77.6	Confident	32 Å²	32	61.2 Å²	61.2	21%	0.208	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-51.8	-43.2	178.1	-29.9	34.4	0	0	0	114.7	T771 F772 A773 P834 Q837	P769-T771 PolarHBondContact O-N 3.45Å; P769-F772 PolarHBondContact O-N 3.27Å; P769-F772 VanDerWaalsContact O-N 3.08Å; P769-A773 WeakPolarHBondContact O-CB 2.89Å; P769-A773 PolarHBondContact O-N 2.95Å; P769-P834 VanDerWaalsContact CD-O 3.26Å; P769-P834 WeakPolarHBondContact CD-O 3.37Å; P769-P834 HydrophobicContact CG-CG 4.26Å; P769-Q837 HydrophobicContact CG-CB 4.31Å
770	S	77.4	Confident	76.4	Confident	65 Å²	65	63.6 Å²	63.6	46%	0.455	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-57.9	-17.1	179.6	-76.6	0	0	0	0	115.1	K768 K830 E833	K768-S770 VanDerWaalsContact C-N 3.34Å; K768-S770 PolarHBondContact O-N 2.92Å; S770-K830 PolarHBondContact OG-NZ 3.33Å; S770-K830 VanDerWaalsContact OG-NZ 3.15Å; S770-E833 WeakPolarHBondContact CB-OE2 2.91Å; S770-E833 PolarHBondContact N-OE2 3.34Å; S770-E833 PolarHBondContact OG-OE1 2.92Å; S770-E833 PolarHBondContact OG-OE2 3.5Å
771	T	78.2	Confident	75.1	Confident	87 Å²	87	61.3 Å²	61.3	53%	0.534	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-73.2	-30.7	177.7	-50.4	0	0	0	0	112.8	K768 P769	K768-T771 WeakPolarHBondContact O-CB 3.3Å; K768-T771 PolarHBondContact O-N 2.86Å; K768-T771 VanDerWaalsContact O-N 3.09Å; K768-T771 PolarHBondContact O-OG1 3.4Å; P769-T771 PolarHBondContact O-N 3.45Å
772	F	75	Confident	73.6	Confident	28 Å²	28	68.1 Å²	68.1	12%	0.123	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129.1	-0.4	-172.4	-61.2	-64.4	0	0	0	114.2	C767 P769 M846 A848 Q849 V852	C767-F772 HydrophobicContact CB-CD2 4.32Å; C767-F772 HydrophobicContact CB-CE2 3.89Å; P769-F772 PolarHBondContact O-N 3.27Å; P769-F772 VanDerWaalsContact O-N 3.08Å; F772-M846 HydrophobicContact CD1-CB 4.42Å; F772-M846 HydrophobicContact CD1-CE 4.23Å; F772-M846 HydrophobicContact CD1-CG 4.24Å; F772-M846 HydrophobicContact CD1-SD 3.78Å; F772-M846 HydrophobicContact CE1-SD 4.31Å; F772-A848 HydrophobicContact CE1-CB 4.38Å; F772-Q849 HydrophobicContact CD1-CB 4.05Å; F772-Q849 HydrophobicContact CD1-CG 4.31Å; F772-Q849 HydrophobicContact CD2-CB 4.23Å; F772-Q849 HydrophobicContact CD2-CG 3.73Å; F772-Q849 HydrophobicContact CE1-CB 3.83Å; F772-Q849 HydrophobicContact CE1-CG 4.4Å; F772-Q849 HydrophobicContact CE2-CB 4.01Å; F772-Q849 HydrophobicContact CE2-CG 3.82Å; F772-Q849 HydrophobicContact CG-CB 4.24Å; F772-Q849 HydrophobicContact CG-CG 3.99Å; F772-Q849 HydrophobicContact CZ-CB 3.8Å; F772-Q849 HydrophobicContact CZ-CG 4.15Å; F772-V852 HydrophobicContact CE2-CG2 4.33Å
773	A	72.9	Confident	72.1	Confident	59 Å²	59	69.8 Å²	69.8	49%	0.488	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-53.2	151.4	176.6	0	0	0	0	0	113.1	P769	P769-A773 WeakPolarHBondContact O-CB 2.89Å; P769-A773 PolarHBondContact O-N 2.95Å
774	Y	76.3	Confident	70.7	Confident	71 Å²	71	73.8 Å²	73.8	28%	0.278	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-63.4	150.2	167.4	-63.4	-82.5	0	0	0	110.6	N347 H703 N704 A776 R844	N347-Y774 HydrophobicContact CB-CD1 4.1Å; N347-Y774 HydrophobicContact CB-CE1 4.24Å; N347-Y774 HydrophobicContact CB-CG 4.41Å; H703-Y774 HydrophobicContact CB-CD1 4.17Å; H703-Y774 HydrophobicContact CB-CE1 4.37Å; N704-Y774 PolarHBondContact OD1-OH 3.34Å; N704-Y774 VanDerWaalsContact OD1-OH 3.14Å; Y774-A776 PolarHBondContact O-N 2.93Å; Y774-R844 VanDerWaalsContact CZ-CD 3.47Å; Y774-R844 WeakPolarHBondContact OH-CB 3.43Å; Y774-R844 WeakPolarHBondContact OH-CD 3.29Å
775	P	71.9	Confident	69.3	Low	54 Å²	54	76.4 Å²	76.4	35%	0.351	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-56.5	133.7	165.1	-19.8	32.4	0	0	0	110	R671	R671-P775 VanDerWaalsContact NH1-CB 3.26Å
776	A	72.3	Confident	68	Low	86 Å²	86	83.3 Å²	83.3	71%	0.711	45%	0.45	S	S	*	.	P	Polyproline II helix	trans	-63.2	138.2	174.7	0	0	0	0	0	110.5	Y774	Y774-A776 PolarHBondContact O-N 2.93Å
777	P	70.4	Confident	66.8	Low	95 Å²	95	86.1 Å²	86.1	62%	0.617	46%	0.461	S	S	*	.	P	Polyproline II helix	trans	-65.5	157.1	176.7	28.3	-35.1	0	0	0	111.5	D349 E779	D349-P777 HydrophobicContact CB-CB 4.39Å; P777-E779 PolarHBondContact O-N 3.04Å
778	L	68.5	Low	65.9	Low	95 Å²	95	91.4 Å²	91.4	50%	0.497	48%	0.48	S	S	.	.			trans	-77.9	105	-179.1	-63.1	177	0	0	0	111	D349 I352 V780	D349-L778 WeakPolarHBondContact OD2-CB 3.25Å; D349-L778 PolarHBondContact OD2-N 2.88Å; I352-L778 HydrophobicContact CG1-CD1 3.86Å; L778-V780 PolarHBondContact O-N 2.98Å
779	E	59.7	Low	65.2	Low	128 Å²	128	90.4 Å²	90.4	60%	0.598	48%	0.482	S	S	*	.			trans	-47.6	135.8	170.3	-65.7	167.1	136.5	0	0	111.5	P777 K784	P777-E779 PolarHBondContact O-N 3.04Å; E779-K784 HydrophobicContact CB-CD 4.44Å; E779-K784 WeakPolarHBondContact OE2-CE 3.43Å; E779-K784 IonicContact OE2-NZ 3.63Å; E779-K784 PolarHBondContact OE2-NZ 3.16Å
780	V	55.8	Low	64.6	Low	49 Å²	49	91.5 Å²	91.5	30%	0.297	49%	0.491	S	S	.	.			trans	-57.8	131.4	-164.3	-163.3	0	0	0	0	110.8	M351 L778 K782 E783 K784	M351-V780 HydrophobicContact CE-CG1 4.03Å; M351-V780 HydrophobicContact CE-CG2 4.03Å; M351-V780 HydrophobicContact SD-CG1 4.45Å; L778-V780 PolarHBondContact O-N 2.98Å; V780-K782 HydrophobicContact CG1-CB 4.16Å; V780-K782 PolarHBondContact O-N 3.09Å; V780-E783 HydrophobicContact CB-CG 4.49Å; V780-E783 PolarHBondContact O-N 3.19Å; V780-K784 PolarHBondContact O-N 2.86Å
781	P	52.8	Low	64.4	Low	68 Å²	68	91.2 Å²	91.2	44%	0.442	49%	0.486	S	S	.	.	H	α-helix	trans	-52.4	-35.1	177.3	-30	35.8	0	0	0	113.1	E783 K784 E785	P781-E783 VanDerWaalsContact C-N 3.3Å; P781-E783 PolarHBondContact O-N 3.33Å; P781-K784 PolarHBondContact O-N 3.47Å; P781-E785 WeakPolarHBondContact O-CB 3.29Å; P781-E785 PolarHBondContact O-N 3.11Å
782	K	52.5	Low	64.1	Low	150 Å²	150	89.1 Å²	89.1	65%	0.652	48%	0.477	S	S	*	.	H	α-helix	trans	-62.2	-28.2	175.5	-69.3	-179	178.4	175.6	0	114.3	V780 K786	V780-K782 HydrophobicContact CG1-CB 4.16Å; V780-K782 PolarHBondContact O-N 3.09Å; K782-K786 WeakPolarHBondContact O-CB 3.49Å; K782-K786 VanDerWaalsContact O-CD 3.32Å; K782-K786 WeakPolarHBondContact O-CD 3.41Å; K782-K786 WeakPolarHBondContact O-CG 3.12Å; K782-K786 PolarHBondContact O-N 2.84Å; K782-K786 VanDerWaalsContact O-N 3.07Å
783	E	51.4	Low	63.9	Low	120 Å²	120	91.4 Å²	91.4	56%	0.561	49%	0.494	S	S	*	.	H	α-helix	trans	-78.9	-48.5	174.3	-72	-166.8	114.5	0	0	111.1	V780 P781 E785 K786 E787	V780-E783 HydrophobicContact CB-CG 4.49Å; V780-E783 PolarHBondContact O-N 3.19Å; P781-E783 VanDerWaalsContact C-N 3.3Å; P781-E783 PolarHBondContact O-N 3.33Å; E783-E785 PolarHBondContact O-N 3.24Å; E783-K786 CarbonylContact O-C 3.57Å; E783-K786 WeakPolarHBondContact O-CB 3.47Å; E783-K786 PolarHBondContact O-N 3.05Å; E783-K786 VanDerWaalsContact O-N 3.11Å; E783-E787 WeakPolarHBondContact O-CB 3.25Å; E783-E787 PolarHBondContact O-N 3.2Å
784	K	55.6	Low	63.9	Low	85 Å²	85	94.2 Å²	94.2	37%	0.37	50%	0.5	S	S	.	.	H	α-helix	trans	-63.1	-28	175.4	-79.6	169.3	165.4	161.4	0	113.1	E779 V780 P781 K788	E779-K784 HydrophobicContact CB-CD 4.44Å; E779-K784 WeakPolarHBondContact OE2-CE 3.43Å; E779-K784 IonicContact OE2-NZ 3.63Å; E779-K784 PolarHBondContact OE2-NZ 3.16Å; V780-K784 PolarHBondContact O-N 2.86Å; P781-K784 PolarHBondContact O-N 3.47Å; K784-K788 VanDerWaalsContact O-CB 3.31Å; K784-K788 WeakPolarHBondContact O-CB 3.33Å; K784-K788 WeakPolarHBondContact O-CD 3.26Å; K784-K788 WeakPolarHBondContact O-CG 3.06Å; K784-K788 PolarHBondContact O-N 3.35Å
785	E	55.3	Low	63.6	Low	126 Å²	126	94.2 Å²	94.2	59%	0.589	51%	0.51	S	S	*	.	H	α-helix	trans	-76.5	-41.9	171.9	-169.7	167.6	-129.4	0	0	111.7	P781 E783 E787 K788 V789	P781-E785 WeakPolarHBondContact O-CB 3.29Å; P781-E785 PolarHBondContact O-N 3.11Å; E783-E785 PolarHBondContact O-N 3.24Å; E785-E787 VanDerWaalsContact C-N 3.31Å; E785-E787 PolarHBondContact O-N 3.45Å; E785-K788 PolarHBondContact O-N 3.07Å; E785-V789 HydrophobicContact CG-CG2 4.43Å; E785-V789 VanDerWaalsContact O-CB 3.22Å; E785-V789 WeakPolarHBondContact O-CB 3.41Å; E785-V789 WeakPolarHBondContact O-CG2 3.49Å; E785-V789 PolarHBondContact O-N 3.05Å
786	K	58.8	Low	63.8	Low	145 Å²	145	97.2 Å²	97.2	63%	0.63	52%	0.522	S	S	*	.	H	α-helix	trans	-60	-39.4	169	-76.8	166.4	-174.8	179.4	0	112.2	K782 E783 S790	K782-K786 WeakPolarHBondContact O-CB 3.49Å; K782-K786 VanDerWaalsContact O-CD 3.32Å; K782-K786 WeakPolarHBondContact O-CD 3.41Å; K782-K786 WeakPolarHBondContact O-CG 3.12Å; K782-K786 PolarHBondContact O-N 2.84Å; K782-K786 VanDerWaalsContact O-N 3.07Å; E783-K786 CarbonylContact O-C 3.57Å; E783-K786 WeakPolarHBondContact O-CB 3.47Å; E783-K786 PolarHBondContact O-N 3.05Å; E783-K786 VanDerWaalsContact O-N 3.11Å; K786-S790 VanDerWaalsContact O-CB 3.24Å; K786-S790 WeakPolarHBondContact O-CB 3.17Å; K786-S790 PolarHBondContact O-N 3.11Å; K786-S790 PolarHBondContact O-OG 3.02Å
787	E	58	Low	64	Low	125 Å²	125	96.3 Å²	96.3	58%	0.584	51%	0.508	S	S	*	.	H	α-helix	trans	-66.2	-50.6	177.7	-170.5	172.4	-143.2	0	0	110.4	E783 E785 V789 S790 T791	E783-E787 WeakPolarHBondContact O-CB 3.25Å; E783-E787 PolarHBondContact O-N 3.2Å; E785-E787 VanDerWaalsContact C-N 3.31Å; E785-E787 PolarHBondContact O-N 3.45Å; E787-V789 PolarHBondContact O-N 3.4Å; E787-S790 PolarHBondContact O-N 3Å; E787-S790 PolarHBondContact O-OG 2.79Å; E787-T791 PolarHBondContact O-N 3.29Å; E787-T791 PolarHBondContact O-OG1 3.33Å; E787-T791 VanDerWaalsContact O-OG1 3.06Å
788	K	63	Low	64.1	Low	148 Å²	148	94.4 Å²	94.4	64%	0.643	50%	0.5	S	S	*	.	H	α-helix	trans	-62.2	-38.1	174.5	-73.8	170.2	-176.8	179.3	0	113.5	K784 E785 T791 A792	K784-K788 VanDerWaalsContact O-CB 3.31Å; K784-K788 WeakPolarHBondContact O-CB 3.33Å; K784-K788 WeakPolarHBondContact O-CD 3.26Å; K784-K788 WeakPolarHBondContact O-CG 3.06Å; K784-K788 PolarHBondContact O-N 3.35Å; E785-K788 PolarHBondContact O-N 3.07Å; K788-T791 WeakPolarHBondContact CA-OG1 3.43Å; K788-T791 PolarHBondContact O-OG1 3.32Å; K788-A792 WeakPolarHBondContact O-CB 3.2Å; K788-A792 PolarHBondContact O-N 2.91Å
789	V	65.1	Low	64.3	Low	83 Å²	83	97.5 Å²	97.5	50%	0.503	51%	0.51	S	S	.	.	H	α-helix	trans	-69.2	-40.9	175	168	0	0	0	0	110.3	E785 E787 A792 V793	E785-V789 HydrophobicContact CG-CG2 4.43Å; E785-V789 VanDerWaalsContact O-CB 3.22Å; E785-V789 WeakPolarHBondContact O-CB 3.41Å; E785-V789 WeakPolarHBondContact O-CG2 3.49Å; E785-V789 PolarHBondContact O-N 3.05Å; E787-V789 PolarHBondContact O-N 3.4Å; V789-A792 PolarHBondContact O-N 3.22Å; V789-V793 HydrophobicContact CG1-CG2 4.29Å; V789-V793 VanDerWaalsContact O-CB 3.31Å; V789-V793 WeakPolarHBondContact O-CB 3.08Å; V789-V793 WeakPolarHBondContact O-CG2 3.42Å; V789-V793 PolarHBondContact O-N 2.86Å
790	S	66.7	Low	64.9	Low	55 Å²	55	93.6 Å²	93.6	39%	0.385	50%	0.499	S	S	.	.	H	α-helix	trans	-70.1	-37.3	177.4	66.6	0	0	0	0	112.7	K786 E787 V793 L794	K786-S790 VanDerWaalsContact O-CB 3.24Å; K786-S790 WeakPolarHBondContact O-CB 3.17Å; K786-S790 PolarHBondContact O-N 3.11Å; K786-S790 PolarHBondContact O-OG 3.02Å; E787-S790 PolarHBondContact O-N 3Å; E787-S790 PolarHBondContact O-OG 2.79Å; S790-V793 PolarHBondContact O-N 3.25Å; S790-L794 WeakPolarHBondContact O-CB 3.24Å; S790-L794 WeakPolarHBondContact O-CD1 3.48Å; S790-L794 WeakPolarHBondContact O-CG 3.45Å; S790-L794 PolarHBondContact O-N 2.73Å
791	T	71.8	Confident	65.7	Low	59 Å²	59	97.8 Å²	97.8	36%	0.362	51%	0.514	S	S	.	.	H	α-helix	trans	-70.8	-35.9	172.3	54.4	0	0	0	0	112.3	E787 K788 S795	E787-T791 PolarHBondContact O-N 3.29Å; E787-T791 PolarHBondContact O-OG1 3.33Å; E787-T791 VanDerWaalsContact O-OG1 3.06Å; K788-T791 WeakPolarHBondContact CA-OG1 3.43Å; K788-T791 PolarHBondContact O-OG1 3.32Å; T791-S795 VanDerWaalsContact O-CB 3.3Å; T791-S795 WeakPolarHBondContact O-CB 3.47Å; T791-S795 PolarHBondContact O-N 2.97Å; T791-S795 PolarHBondContact O-OG 2.94Å
792	A	72.6	Confident	66.3	Low	42 Å²	42	100.9 Å²	100.9	35%	0.347	52%	0.52	S	S	.	.	H	α-helix	trans	-63.5	-47.1	170.3	0	0	0	0	0	111.8	K788 V789 S795 I796	K788-A792 WeakPolarHBondContact O-CB 3.2Å; K788-A792 PolarHBondContact O-N 2.91Å; V789-A792 PolarHBondContact O-N 3.22Å; A792-S795 WeakPolarHBondContact CA-OG 3.28Å; A792-S795 PolarHBondContact O-N 3.27Å; A792-S795 PolarHBondContact O-OG 2.74Å; A792-I796 WeakPolarHBondContact O-CB 3.37Å; A792-I796 WeakPolarHBondContact O-CD1 3.36Å; A792-I796 WeakPolarHBondContact O-CG1 3.36Å; A792-I796 PolarHBondContact O-N 2.88Å
793	V	70.5	Confident	67	Low	77 Å²	77	100.4 Å²	100.4	47%	0.467	52%	0.518	S	S	.	.	H	α-helix	trans	-63.4	-47.1	176	169	0	0	0	0	110.5	V789 S790 S795 I796 T797	V789-V793 HydrophobicContact CG1-CG2 4.29Å; V789-V793 VanDerWaalsContact O-CB 3.31Å; V789-V793 WeakPolarHBondContact O-CB 3.08Å; V789-V793 WeakPolarHBondContact O-CG2 3.42Å; V789-V793 PolarHBondContact O-N 2.86Å; S790-V793 PolarHBondContact O-N 3.25Å; V793-S795 VanDerWaalsContact C-N 3.35Å; V793-S795 PolarHBondContact O-N 3.11Å; V793-I796 PolarHBondContact O-N 2.86Å; V793-T797 WeakPolarHBondContact O-CB 3.43Å; V793-T797 PolarHBondContact O-N 3.1Å; V793-T797 PolarHBondContact O-OG1 3.03Å
794	L	72.2	Confident	67.6	Low	118 Å²	118	100 Å²	100	62%	0.618	52%	0.516	S	S	*	.	H	α-helix	trans	-61.2	-40.6	178	-76.4	167.5	0	0	0	112.3	S790 A798	S790-L794 WeakPolarHBondContact O-CB 3.24Å; S790-L794 WeakPolarHBondContact O-CD1 3.48Å; S790-L794 WeakPolarHBondContact O-CG 3.45Å; S790-L794 PolarHBondContact O-N 2.73Å; L794-A798 WeakPolarHBondContact O-CB 3.39Å; L794-A798 PolarHBondContact O-N 2.61Å
795	S	70.6	Confident	67.8	Low	71 Å²	71	102.4 Å²	102.4	50%	0.497	53%	0.527	S	S	.	.	H	α-helix	trans	-70.9	-38.3	176.4	58.3	0	0	0	0	112.3	T791 A792 V793 K799	T791-S795 VanDerWaalsContact O-CB 3.3Å; T791-S795 WeakPolarHBondContact O-CB 3.47Å; T791-S795 PolarHBondContact O-N 2.97Å; T791-S795 PolarHBondContact O-OG 2.94Å; A792-S795 WeakPolarHBondContact CA-OG 3.28Å; A792-S795 PolarHBondContact O-N 3.27Å; A792-S795 PolarHBondContact O-OG 2.74Å; V793-S795 VanDerWaalsContact C-N 3.35Å; V793-S795 PolarHBondContact O-N 3.11Å; S795-K799 WeakPolarHBondContact O-CB 3.22Å; S795-K799 PolarHBondContact O-N 3.29Å
796	I	76.2	Confident	67.8	Low	117 Å²	117	102.2 Å²	102.2	60%	0.6	53%	0.526	S	S	*	.	H	α-helix	trans	-64.7	-46.3	172.5	-69.6	165.1	0	0	0	111	A792 V793 K799 A800	A792-I796 WeakPolarHBondContact O-CB 3.37Å; A792-I796 WeakPolarHBondContact O-CD1 3.36Å; A792-I796 WeakPolarHBondContact O-CG1 3.36Å; A792-I796 PolarHBondContact O-N 2.88Å; V793-I796 PolarHBondContact O-N 2.86Å; I796-K799 CarbonylContact O-C 3.48Å; I796-K799 PolarHBondContact O-N 3.29Å; I796-A800 WeakPolarHBondContact O-CB 3.4Å; I796-A800 PolarHBondContact O-N 3.42Å
797	T	76.2	Confident	67.7	Low	66 Å²	66	102.8 Å²	102.8	41%	0.405	53%	0.528	S	S	.	.	H	α-helix	trans	-67	-38.2	177.9	-58.1	0	0	0	0	111.9	V793 A800 K801	V793-T797 WeakPolarHBondContact O-CB 3.43Å; V793-T797 PolarHBondContact O-N 3.1Å; V793-T797 PolarHBondContact O-OG1 3.03Å; T797-A800 PolarHBondContact O-N 3.19Å; T797-K801 WeakPolarHBondContact O-CB 3.16Å; T797-K801 PolarHBondContact O-N 3.28Å
798	A	73.6	Confident	67.5	Low	56 Å²	56	103.3 Å²	103.3	46%	0.463	53%	0.531	S	S	.	.	H	α-helix	trans	-66.6	-38.6	172.7	0	0	0	0	0	111.7	L794 K802	L794-A798 WeakPolarHBondContact O-CB 3.39Å; L794-A798 PolarHBondContact O-N 2.61Å; A798-K802 WeakPolarHBondContact O-CB 3.14Å; A798-K802 PolarHBondContact O-N 3Å
799	K	72.8	Confident	66.8	Low	159 Å²	159	104.2 Å²	104.2	69%	0.691	54%	0.535	S	S	*	.	H	α-helix	trans	-70.3	-34.2	175.6	-162.2	165.2	-170.5	168.6	0	111.9	S795 I796 K803	S795-K799 WeakPolarHBondContact O-CB 3.22Å; S795-K799 PolarHBondContact O-N 3.29Å; I796-K799 CarbonylContact O-C 3.48Å; I796-K799 PolarHBondContact O-N 3.29Å; K799-K803 VanDerWaalsContact O-CB 3.26Å; K799-K803 WeakPolarHBondContact O-CB 3.36Å; K799-K803 PolarHBondContact O-N 3.44Å
800	A	72	Confident	65.9	Low	46 Å²	46	108.9 Å²	108.9	38%	0.38	55%	0.548	S	S	.	.	H	α-helix	trans	-64.7	-52.3	170.7	0	0	0	0	0	111.3	I796 T797 K802 K803 E804	I796-A800 WeakPolarHBondContact O-CB 3.4Å; I796-A800 PolarHBondContact O-N 3.42Å; T797-A800 PolarHBondContact O-N 3.19Å; A800-K802 VanDerWaalsContact C-N 3.32Å; A800-K802 PolarHBondContact O-N 3.27Å; A800-K803 CarbonylContact O-C 3.57Å; A800-K803 WeakPolarHBondContact O-CA 3.47Å; A800-K803 WeakPolarHBondContact O-CB 3.37Å; A800-K803 PolarHBondContact O-N 3.31Å; A800-E804 PolarHBondContact O-N 3.05Å
801	K	71.5	Confident	65	Low	138 Å²	138	115 Å²	115	60%	0.6	57%	0.571	S	S	*	*	H	α-helix	trans	-63.1	-33.6	176.3	-75.2	-172.3	173.7	-174.8	0	113.2	T797 K805	T797-K801 WeakPolarHBondContact O-CB 3.16Å; T797-K801 PolarHBondContact O-N 3.28Å; K801-K805 WeakPolarHBondContact O-CB 3.45Å; K801-K805 WeakPolarHBondContact O-CG 3.23Å; K801-K805 PolarHBondContact O-N 2.94Å
802	K	66.5	Low	63.4	Low	132 Å²	132	120.3 Å²	120.3	57%	0.574	59%	0.591	S	S	*	*	H	α-helix	trans	-62.9	-44.8	168.1	-84.9	-166.6	171.2	-167.9	0	110.9	A798 A800 E804 K805 E806	A798-K802 WeakPolarHBondContact O-CB 3.14Å; A798-K802 PolarHBondContact O-N 3Å; A800-K802 VanDerWaalsContact C-N 3.32Å; A800-K802 PolarHBondContact O-N 3.27Å; K802-E804 VanDerWaalsContact C-N 3.32Å; K802-E804 PolarHBondContact O-N 2.97Å; K802-K805 CarbonylContact O-C 3.57Å; K802-K805 PolarHBondContact O-N 3.29Å; K802-E806 WeakPolarHBondContact O-CB 3.4Å; K802-E806 WeakPolarHBondContact O-CG 3.45Å; K802-E806 PolarHBondContact O-N 3.45Å
803	K	65.8	Low	61.6	Low	140 Å²	140	125.7 Å²	125.7	61%	0.609	61%	0.609	S	S	*	*	H	α-helix	trans	-70.2	-23.5	179.9	-161.9	171.7	-172.1	177.7	0	114.2	K799 A800 K807	K799-K803 VanDerWaalsContact O-CB 3.26Å; K799-K803 WeakPolarHBondContact O-CB 3.36Å; K799-K803 PolarHBondContact O-N 3.44Å; A800-K803 CarbonylContact O-C 3.57Å; A800-K803 WeakPolarHBondContact O-CA 3.47Å; A800-K803 WeakPolarHBondContact O-CB 3.37Å; A800-K803 PolarHBondContact O-N 3.31Å; K803-K807 PolarHBondContact O-N 2.96Å
804	E	64.6	Low	59.8	Low	113 Å²	113	129.6 Å²	129.6	53%	0.528	62%	0.62	S	S	.	*	H	α-helix	trans	-74.7	-47.1	167.4	-70.9	170.8	149.9	0	0	110.4	A800 K802 E806 K807 E808	A800-E804 PolarHBondContact O-N 3.05Å; K802-E804 VanDerWaalsContact C-N 3.32Å; K802-E804 PolarHBondContact O-N 2.97Å; E804-E806 PolarHBondContact O-N 3.4Å; E804-K807 WeakPolarHBondContact O-CA 3.3Å; E804-K807 WeakPolarHBondContact O-CB 3.45Å; E804-K807 PolarHBondContact O-N 2.77Å; E804-E808 PolarHBondContact O-N 3.29Å
805	K	60.6	Low	58.2	Low	134 Å²	134	133 Å²	133	58%	0.583	64%	0.635	S	S	*	*	H	α-helix	trans	-63.7	-25.5	172.5	-73	-167.6	171.2	-162.3	0	114	K801 K802 K807 K809	K801-K805 WeakPolarHBondContact O-CB 3.45Å; K801-K805 WeakPolarHBondContact O-CG 3.23Å; K801-K805 PolarHBondContact O-N 2.94Å; K802-K805 CarbonylContact O-C 3.57Å; K802-K805 PolarHBondContact O-N 3.29Å; K805-K807 VanDerWaalsContact C-N 3.32Å; K805-K809 WeakPolarHBondContact O-CB 3.31Å; K805-K809 WeakPolarHBondContact O-CG 3.21Å; K805-K809 PolarHBondContact O-N 3.29Å
806	E	54.6	Low	56.3	Low	122 Å²	122	138.2 Å²	138.2	57%	0.57	65%	0.651	S	S	*	*	H	α-helix	trans	-74.7	-17.9	169.4	-77	179.2	146	0	0	113.3	K802 E804 K810	K802-E806 WeakPolarHBondContact O-CB 3.4Å; K802-E806 WeakPolarHBondContact O-CG 3.45Å; K802-E806 PolarHBondContact O-N 3.45Å; E804-E806 PolarHBondContact O-N 3.4Å; E806-K810 VanDerWaalsContact O-CG 3.3Å; E806-K810 WeakPolarHBondContact O-CG 3.22Å
807	K	57.9	Low	54.3	Low	157 Å²	157	138.6 Å²	138.6	68%	0.683	66%	0.659	S	S	*	*	H	α-helix	trans	-82.1	-43.5	168.7	-72.9	174.5	173	-176	0	110.7	K803 E804 K805 K810	K803-K807 PolarHBondContact O-N 2.96Å; E804-K807 WeakPolarHBondContact O-CA 3.3Å; E804-K807 WeakPolarHBondContact O-CB 3.45Å; E804-K807 PolarHBondContact O-N 2.77Å; K805-K807 VanDerWaalsContact C-N 3.32Å; K807-K810 PolarHBondContact O-N 3.33Å
808	E	52.6	Low	52.2	Low	137 Å²	137	142.2 Å²	142.2	64%	0.64	68%	0.676	S	S	*	*	H	α-helix	trans	-62.5	-51.2	174.2	-63.8	175.5	138.8	0	0	110.8	E804 K810 E811	E804-E808 PolarHBondContact O-N 3.29Å; E808-K810 PolarHBondContact O-N 3.06Å; E808-E811 PolarHBondContact O-N 3.18Å
809	K	48.5	Very low	50.4	Low	167 Å²	167	147.9 Å²	147.9	73%	0.726	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.7	16.7	174.4	-68.9	-166.7	165.7	-153.4	0	114.8	K805	K805-K809 WeakPolarHBondContact O-CB 3.31Å; K805-K809 WeakPolarHBondContact O-CG 3.21Å; K805-K809 PolarHBondContact O-N 3.29Å
810	K	46.5	Very low	48.5	Very low	181 Å²	181	144.3 Å²	144.3	79%	0.787	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.9	-4.3	168.6	-99	-178.4	178.2	-170.7	0	114	E806 K807 E808	E806-K810 VanDerWaalsContact O-CG 3.3Å; E806-K810 WeakPolarHBondContact O-CG 3.22Å; K807-K810 PolarHBondContact O-N 3.33Å; E808-K810 PolarHBondContact O-N 3.06Å
811	E	47.5	Very low	46.6	Very low	184 Å²	184	148.6 Å²	148.6	86%	0.86	71%	0.705	S	S	*	*	S	Bend	trans	-101.9	-9	172.1	-60.4	-167.8	134.1	0	0	113.2	E808	E808-E811 PolarHBondContact O-N 3.18Å
812	E	38.1	Very low	44.6	Very low	169 Å²	169	151.8 Å²	151.8	79%	0.79	72%	0.719	S	S	*	*	S	Bend	trans	-126.9	140.6	174.4	-64.3	-171.4	151.8	0	0	111.8
813	E	34.5	Very low	42.9	Very low	155 Å²	155	152.9 Å²	152.9	72%	0.724	72%	0.724	S	S	*	*			trans	-88.7	148	-163.6	-105.9	-160	135.8	0	0	116.4
814	K	33.5	Very low	41.3	Very low	160 Å²	160	154.7 Å²	154.7	70%	0.696	73%	0.734	S	S	*	*			trans	78.4	122.4	151	-71.2	164.7	177.4	125.8	0	120.3
815	M	38.1	Very low	39.8	Very low	188 Å²	188	158 Å²	158	93%	0.926	75%	0.75	S	S	*	*			trans	39.1	110.1	148.2	-70.9	178.9	165.1	0	0	120
816	E	30.1	Very low	38.3	Very low	181 Å²	181	161 Å²	161	85%	0.846	76%	0.763	S	S	*	*				-158.2	152.2	105.8	-154.7	155.5	-147.2	0	0	109.4
817	V	34.3	Very low	37.1	Very low	126 Å²	126	164.4 Å²	164.4	76%	0.764	78%	0.779	S	S	*	*			trans	-133.3	94.8	-177.4	-177.7	0	0	0	0	110.9
818	D	33.7	Very low	35.8	Very low	141 Å²	141	166.1 Å²	166.1	75%	0.754	79%	0.786	S	S	*	*			trans	-86.7	116.4	166.3	-84.2	-41.7	0	0	0	111.3	A820	D818-A820 PolarHBondContact O-N 3.42Å
819	E	35.1	Very low	34.7	Very low	175 Å²	175	169.2 Å²	169.2	82%	0.818	80%	0.798	S	S	*	*			trans	-78.6	82.9	172.5	-69	-160.3	132.9	0	0	111.5	E821	E819-E821 PolarHBondContact O-N 2.92Å
820	A	31.8	Very low	34.3	Very low	84 Å²	84	168.2 Å²	168.2	69%	0.694	79%	0.793	S	S	*	*			trans	-72.2	64.8	170	0	0	0	0	0	112.5	D818 K822	D818-A820 PolarHBondContact O-N 3.42Å; A820-K822 PolarHBondContact O-N 2.89Å; A820-K822 VanDerWaalsContact O-N 3.15Å
821	E	32.7	Very low	34.1	Very low	137 Å²	137	167.7 Å²	167.7	64%	0.64	79%	0.793	S	S	*	*			trans	-66.4	102.8	162	-78.6	-153.1	127.7	0	0	109.6	E819 K823	E819-E821 PolarHBondContact O-N 2.92Å; E821-K823 VanDerWaalsContact C-N 3.29Å; E821-K823 HydrophobicContact CB-CG 4.5Å; E821-K823 PolarHBondContact O-N 2.94Å; E821-K823 WeakPolarHBondContact OE2-CE 3.36Å; E821-K823 IonicContact OE2-NZ 2.73Å; E821-K823 PolarHBondContact OE2-NZ 2.89Å; E821-K823 VanDerWaalsContact OE2-NZ 3.09Å
822	K	30.7	Very low	34.6	Very low	204 Å²	204	165 Å²	165	89%	0.887	79%	0.792	S	S	*	*			trans	-75.1	85.7	162.3	-75.2	-167.3	176.7	-173.8	0	109.5	A820	A820-K822 PolarHBondContact O-N 2.89Å; A820-K822 VanDerWaalsContact O-N 3.15Å
823	K	30.3	Very low	35.7	Very low	155 Å²	155	159.3 Å²	159.3	67%	0.674	77%	0.766	S	S	*	*			trans	-66.7	139.1	164.2	-66.9	-177.7	-176.6	170.4	0	109.5	E821 E825	E821-K823 VanDerWaalsContact C-N 3.29Å; E821-K823 HydrophobicContact CB-CG 4.5Å; E821-K823 PolarHBondContact O-N 2.94Å; E821-K823 WeakPolarHBondContact OE2-CE 3.36Å; E821-K823 IonicContact OE2-NZ 2.73Å; E821-K823 PolarHBondContact OE2-NZ 2.89Å; E821-K823 VanDerWaalsContact OE2-NZ 3.09Å; K823-E825 PolarHBondContact O-N 3.18Å
824	E	31	Very low	37.6	Very low	178 Å²	178	155.5 Å²	155.5	83%	0.832	75%	0.754	S	S	*	*			trans	-80.1	67.5	177.6	-67.3	-176	154.1	0	0	111
825	E	34.5	Very low	39.7	Very low	182 Å²	182	153.3 Å²	153.3	85%	0.85	75%	0.75	S	S	*	*			trans	-99.7	91.1	162.9	-78.9	-169.4	174.8	0	0	110.3	K823	K823-E825 PolarHBondContact O-N 3.18Å
826	K	28	Very low	41.6	Very low	199 Å²	199	149.2 Å²	149.2	87%	0.865	73%	0.727	S	S	*	*			trans	-129.2	57.7	158	-82.2	-167.5	175.8	-178.7	0	110.6	K828	K826-K828 PolarHBondContact O-N 3.42Å
827	E	29	Very low	44.1	Very low	193 Å²	193	143.4 Å²	143.4	90%	0.902	70%	0.7	S	S	*	*			trans	-59.9	96.9	141.2	-72.3	-155.8	148.7	0	0	107.1	K829	E827-K829 PolarHBondContact O-N 3.31Å
828	K	30.8	Very low	46.4	Very low	192 Å²	192	141.2 Å²	141.2	84%	0.835	68%	0.684	S	S	*	*			trans	-53.2	118.7	158.2	-77.6	-178.2	177.5	177.7	0	105.2	K826 K830	K826-K828 PolarHBondContact O-N 3.42Å; K828-K830 PolarHBondContact O-N 3.32Å
829	K	31.3	Very low	48.7	Very low	203 Å²	203	135.5 Å²	135.5	88%	0.883	65%	0.653	S	S	*	*			trans	-51.1	110.9	165.8	-72.7	-178.1	177.6	179.4	0	106.4	E827 E831	E827-K829 PolarHBondContact O-N 3.31Å; K829-E831 PolarHBondContact O-N 3.08Å
830	K	39.4	Very low	51	Low	146 Å²	146	132 Å²	132	64%	0.635	64%	0.64	S	S	*	*			trans	-53.5	130.9	171.6	-75.5	-174.7	160.7	-158.9	0	106.9	S770 K828 E833	S770-K830 PolarHBondContact OG-NZ 3.33Å; S770-K830 VanDerWaalsContact OG-NZ 3.15Å; K828-K830 PolarHBondContact O-N 3.32Å; K830-E833 WeakPolarHBondContact CD-OE1 3.47Å; K830-E833 IonicContact NZ-OE1 2.75Å; K830-E833 PolarHBondContact NZ-OE1 2.78Å
831	E	41.8	Very low	53.4	Low	169 Å²	169	128.3 Å²	128.3	79%	0.79	61%	0.609	S	S	*	*			trans	-56	147.9	167.3	-67	-177.2	129.3	0	0	108.6	K829 E833	K829-E831 PolarHBondContact O-N 3.08Å; E831-E833 PolarHBondContact O-N 3.29Å
832	P	58.2	Low	55.7	Low	129 Å²	129	122.2 Å²	122.2	84%	0.838	58%	0.581	S	S	*	*			trans	-62	99.7	-177.6	25.3	-33.8	0	0	0	109.7
833	E	61.8	Low	58.2	Low	49 Å²	49	112.9 Å²	112.9	23%	0.229	54%	0.542	C	S	.	.			trans	-51.3	134.9	-174.5	-66.9	-179.9	-159.9	0	0	110.7	S770 K830 E831 N835	S770-E833 WeakPolarHBondContact CB-OE2 2.91Å; S770-E833 PolarHBondContact N-OE2 3.34Å; S770-E833 PolarHBondContact OG-OE1 2.92Å; S770-E833 PolarHBondContact OG-OE2 3.5Å; K830-E833 WeakPolarHBondContact CD-OE1 3.47Å; K830-E833 IonicContact NZ-OE1 2.75Å; K830-E833 PolarHBondContact NZ-OE1 2.78Å; E831-E833 PolarHBondContact O-N 3.29Å; E833-N835 PolarHBondContact O-N 2.87Å
834	P	73.1	Confident	60.9	Low	74 Å²	74	107.4 Å²	107.4	48%	0.481	52%	0.517	S	S	.	.			trans	-58.8	136.3	-178	25.6	-34.6	0	0	0	109.9	P769 F836	P769-P834 VanDerWaalsContact CD-O 3.26Å; P769-P834 WeakPolarHBondContact CD-O 3.37Å; P769-P834 HydrophobicContact CG-CG 4.26Å; P834-F836 PolarHBondContact O-N 3.36Å; P834-F836 VanDerWaalsContact O-N 3.1Å
835	N	78.3	Confident	63.4	Low	115 Å²	115	99.1 Å²	99.1	62%	0.615	48%	0.478	S	S	*	.	S	Bend	trans	-71.4	-2.3	-178	-68.3	-44.9	0	0	0	113.4	C767 K768 E833	C767-N835 CarbonylContact C-O 3.55Å; C767-N835 PolarHBondContact N-O 2.95Å; K768-N835 VanDerWaalsContact CE-OD1 3.24Å; K768-N835 WeakPolarHBondContact CE-OD1 3.48Å; E833-N835 PolarHBondContact O-N 2.87Å
836	F	78.1	Confident	65.7	Low	101 Å²	101	93.2 Å²	93.2	44%	0.443	45%	0.451	S	S	.	.			trans	-137.3	154.5	173	66.2	-87	0	0	0	110.4	K764 S765 P834	K764-F836 HydrophobicContact CG-CB 4.24Å; K764-F836 HydrophobicContact CG-CD2 4.4Å; S765-F836 CarbonylContact O-C 3.55Å; S765-F836 WeakPolarHBondContact O-CA 3.42Å; P834-F836 PolarHBondContact O-N 3.36Å; P834-F836 VanDerWaalsContact O-N 3.1Å
837	Q	81.8	Confident	68.2	Low	60 Å²	60	88.2 Å²	88.2	28%	0.28	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	139.4	173.1	-176.7	175	0.3	0	0	109.2	S765 P769 L839	S765-Q837 PolarHBondContact N-O 3.37Å; S765-Q837 PolarHBondContact O-N 3.3Å; P769-Q837 HydrophobicContact CG-CB 4.31Å; Q837-L839 HydrophobicContact CG-CD2 3.95Å; Q837-L839 HydrophobicContact CG-CG 4.47Å
838	L	83.4	Confident	70.7	Confident	79 Å²	79	82 Å²	82	41%	0.414	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	140.8	166.3	-61.8	176.1	0	0	0	109	Y763 K764	Y763-L838 CarbonylContact O-C 3.56Å; Y763-L838 WeakPolarHBondContact O-CA 3.36Å; K764-L838 HydrophobicContact CB-CD2 4.18Å; K764-L838 HydrophobicContact CG-CD2 4.41Å
839	L	81.8	Confident	73.2	Confident	22 Å²	22	73 Å²	73	12%	0.115	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	122.2	-177.4	-60	173.3	0	0	0	109.4	Q762 Y763 Q837 A843 V845 L853	Q762-L839 CarbonylContact C-O 3.4Å; Q762-L839 WeakPolarHBondContact CA-O 3.31Å; Y763-L839 WeakPolarHBondContact CD2-O 3.39Å; Y763-L839 PolarHBondContact N-O 3.46Å; Y763-L839 PolarHBondContact O-N 3.03Å; Q837-L839 HydrophobicContact CG-CD2 3.95Å; Q837-L839 HydrophobicContact CG-CG 4.47Å; L839-A843 HydrophobicContact CB-CB 3.96Å; L839-V845 HydrophobicContact CD1-CG1 4.33Å; L839-L853 HydrophobicContact CD1-CD1 4.03Å
840	D	83.6	Confident	75.7	Confident	100 Å²	100	64 Å²	64	54%	0.535	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	150	-179.9	-52	-79.1	0	0	0	112.7	Q762 P842 A843	Q762-D840 VanDerWaalsContact CG-OD1 3.26Å; Q762-D840 WeakPolarHBondContact CG-OD1 3.38Å; Q762-D840 PolarHBondContact NE2-OD1 2.92Å; D840-P842 CarbonylContact O-C 3.42Å; D840-A843 WeakPolarHBondContact O-CA 3.4Å; D840-A843 WeakPolarHBondContact O-CB 3.48Å; D840-A843 PolarHBondContact O-N 2.78Å
841	N	81.8	Confident	77.8	Confident	8 Å²	8	65.7 Å²	65.7	4%	0.043	35%	0.35	C	S	.	.	S	Bend	trans	-75.8	127.6	174.5	-175	35.4	0	0	0	111.8	I750 G751 P759 V761 Y763	I750-N841 WeakPolarHBondContact CA-OD1 3.29Å; G751-N841 PolarHBondContact N-OD1 3.25Å; G751-N841 PolarHBondContact O-ND2 3.44Å; P759-N841 PolarHBondContact O-ND2 2.81Å; V761-N841 HydrophobicContact CG1-CB 3.51Å; V761-N841 PolarHBondContact O-N 2.94Å; Y763-N841 HydrophobicContact CE2-CB 4.11Å
842	P	82.2	Confident	79.8	Confident	9 Å²	9	59.6 Å²	59.6	6%	0.058	33%	0.325	C	S	.	.	S	Bend	cis	-85.9	130.1	-1	33	-34.1	0	0	0	113.9	F341 N345 I750 M758 D840	F341-P842 HydrophobicContact CB-CB 4.25Å; F341-P842 HydrophobicContact CB-CG 4.04Å; F341-P842 HydrophobicContact CD2-CB 3.99Å; F341-P842 HydrophobicContact CD2-CG 4.08Å; N345-P842 PolarHBondContact ND2-O 2.93Å; I750-P842 HydrophobicContact CG1-CB 3.93Å; M758-P842 HydrophobicContact SD-CG 4.49Å; D840-P842 CarbonylContact O-C 3.42Å
843	A	82.4	Confident	81.1	Confident	7 Å²	7	54 Å²	54	6%	0.058	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	136.9	-173.4	0	0	0	0	0	112.8	C748 V749 Y763 L839 D840	C748-A843 CarbonylContact C-O 3.25Å; C748-A843 WeakPolarHBondContact CA-O 3.39Å; C748-A843 WeakPolarHBondContact CB-O 3.4Å; V749-A843 PolarHBondContact N-O 3.35Å; V749-A843 PolarHBondContact O-N 3.49Å; Y763-A843 HydrophobicContact CD2-CB 4.33Å; L839-A843 HydrophobicContact CB-CB 3.96Å; D840-A843 WeakPolarHBondContact O-CA 3.4Å; D840-A843 WeakPolarHBondContact O-CB 3.48Å; D840-A843 PolarHBondContact O-N 2.78Å
844	R	86.3	Confident	82.2	Confident	41 Å²	41	54.6 Å²	54.6	16%	0.155	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	133.9	163.2	-178.2	-174.7	177.8	-114.8	10	109.8	F341 H703 N704 T747 Y774	F341-R844 HydrophobicContact CE2-CB 4.2Å; F341-R844 HydrophobicContact CZ-CB 4Å; H703-R844 VanDerWaalsContact O-CZ 3.23Å; H703-R844 PolarHBondContact O-NE 3.15Å; H703-R844 PolarHBondContact O-NH2 3.44Å; N704-R844 WeakPolarHBondContact OD1-CD 3.11Å; T747-R844 WeakPolarHBondContact O-CA 3.42Å; Y774-R844 VanDerWaalsContact CZ-CD 3.47Å; Y774-R844 WeakPolarHBondContact OH-CB 3.43Å; Y774-R844 WeakPolarHBondContact OH-CD 3.29Å
845	V	84.8	Confident	82.5	Confident	3 Å²	3	52.6 Å²	52.6	2%	0.018	28%	0.279	C	S	.	.			trans	-144.5	134	177.4	-70.6	0	0	0	0	112.2	T747 V749 L839 L850 L853	T747-V845 PolarHBondContact O-N 2.95Å; V749-V845 HydrophobicContact CB-CG2 4.29Å; V749-V845 HydrophobicContact CG2-CG2 3.71Å; L839-V845 HydrophobicContact CD1-CG1 4.33Å; V845-L850 HydrophobicContact CB-CD2 4.1Å; V845-L850 HydrophobicContact CG2-CD2 3.63Å; V845-L850 HydrophobicContact CG2-CG 4.4Å; V845-L853 HydrophobicContact CG1-CD2 4.19Å
846	M	82.6	Confident	82.6	Confident	58 Å²	58	48.7 Å²	48.7	29%	0.286	26%	0.26	S	S	.	.			trans	-82	153.5	173.7	-57.3	-169.9	-164.8	0	0	112	F772 A848 Q849 L850	F772-M846 HydrophobicContact CD1-CB 4.42Å; F772-M846 HydrophobicContact CD1-CE 4.23Å; F772-M846 HydrophobicContact CD1-CG 4.24Å; F772-M846 HydrophobicContact CD1-SD 3.78Å; F772-M846 HydrophobicContact CE1-SD 4.31Å; M846-A848 PolarHBondContact O-N 3.45Å; M846-A848 VanDerWaalsContact O-N 3.11Å; M846-Q849 HydrophobicContact CB-CB 4.12Å; M846-Q849 VanDerWaalsContact N-OE1 3.13Å; M846-Q849 WeakPolarHBondContact O-CA 3.38Å; M846-Q849 VanDerWaalsContact O-CB 3.28Å; M846-Q849 WeakPolarHBondContact O-CB 3.38Å; M846-Q849 PolarHBondContact O-N 2.89Å; M846-L850 PolarHBondContact O-N 2.58Å
847	P	79.8	Confident	82.3	Confident	95 Å²	95	53.5 Å²	53.5	62%	0.617	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-27	175.4	-27.4	35.9	0	0	0	115
848	A	82.3	Confident	81.9	Confident	61 Å²	61	57.3 Å²	57.3	50%	0.504	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-32.7	171.3	0	0	0	0	0	112.9	F772 M846	F772-A848 HydrophobicContact CE1-CB 4.38Å; M846-A848 PolarHBondContact O-N 3.45Å; M846-A848 VanDerWaalsContact O-N 3.11Å
849	Q	82.4	Confident	81.4	Confident	5 Å²	5	54.9 Å²	54.9	2%	0.023	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-75	-31.9	-178.5	-168.4	178.4	5.6	0	0	112.3	F772 M846 K851 V852 L853	F772-Q849 HydrophobicContact CD1-CB 4.05Å; F772-Q849 HydrophobicContact CD1-CG 4.31Å; F772-Q849 HydrophobicContact CD2-CB 4.23Å; F772-Q849 HydrophobicContact CD2-CG 3.73Å; F772-Q849 HydrophobicContact CE1-CB 3.83Å; F772-Q849 HydrophobicContact CE1-CG 4.4Å; F772-Q849 HydrophobicContact CE2-CB 4.01Å; F772-Q849 HydrophobicContact CE2-CG 3.82Å; F772-Q849 HydrophobicContact CG-CB 4.24Å; F772-Q849 HydrophobicContact CG-CG 3.99Å; F772-Q849 HydrophobicContact CZ-CB 3.8Å; F772-Q849 HydrophobicContact CZ-CG 4.15Å; M846-Q849 HydrophobicContact CB-CB 4.12Å; M846-Q849 VanDerWaalsContact N-OE1 3.13Å; M846-Q849 WeakPolarHBondContact O-CA 3.38Å; M846-Q849 VanDerWaalsContact O-CB 3.28Å; M846-Q849 WeakPolarHBondContact O-CB 3.38Å; M846-Q849 PolarHBondContact O-N 2.89Å; Q849-K851 PolarHBondContact O-N 2.87Å; Q849-K851 VanDerWaalsContact O-N 3.1Å; Q849-V852 HydrophobicContact CG-CG2 4.5Å; Q849-V852 WeakPolarHBondContact O-CG2 3.19Å; Q849-V852 PolarHBondContact O-N 2.67Å; Q849-L853 PolarHBondContact O-N 2.89Å
850	L	83.5	Confident	81.2	Confident	12 Å²	12	56.6 Å²	56.6	6%	0.063	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-53.4	-30	173.5	-68.3	176.8	0	0	0	113	V749 V845 M846 V852	V749-L850 HydrophobicContact CG2-CD2 4.16Å; V845-L850 HydrophobicContact CB-CD2 4.1Å; V845-L850 HydrophobicContact CG2-CD2 3.63Å; V845-L850 HydrophobicContact CG2-CG 4.4Å; M846-L850 PolarHBondContact O-N 2.58Å; L850-V852 VanDerWaalsContact C-N 3.29Å; L850-V852 PolarHBondContact O-N 3.32Å
851	K	84.1	Confident	81	Confident	182 Å²	182	52.3 Å²	52.3	79%	0.791	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-73.8	-15.7	179.3	-58.9	-179.5	-178.1	178.3	0	114.3	Q849	Q849-K851 PolarHBondContact O-N 2.87Å; Q849-K851 VanDerWaalsContact O-N 3.1Å
852	V	84.4	Confident	80.9	Confident	42 Å²	42	57.2 Å²	57.2	26%	0.255	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-117	3.2	179.8	-62.4	0	0	0	0	112.6	N766 C767 F772 Q849 L850	N766-V852 WeakPolarHBondContact CB-O 3.39Å; N766-V852 PolarHBondContact N-O 3.42Å; N766-V852 PolarHBondContact ND2-O 3.27Å; C767-V852 HydrophobicContact CB-CG2 4.23Å; F772-V852 HydrophobicContact CE2-CG2 4.33Å; Q849-V852 HydrophobicContact CG-CG2 4.5Å; Q849-V852 WeakPolarHBondContact O-CG2 3.19Å; Q849-V852 PolarHBondContact O-N 2.67Å; L850-V852 VanDerWaalsContact C-N 3.29Å; L850-V852 PolarHBondContact O-N 3.32Å
853	L	84.9	Confident	80.8	Confident	11 Å²	11	59 Å²	59	6%	0.058	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	129.6	179.5	-164.2	73.7	0	0	0	110.6	V749 L839 V845 Q849 L867	V749-L853 HydrophobicContact CG2-CD2 4.38Å; L839-L853 HydrophobicContact CD1-CD1 4.03Å; V845-L853 HydrophobicContact CG1-CD2 4.19Å; Q849-L853 PolarHBondContact O-N 2.89Å; L853-L867 HydrophobicContact CD2-CD1 4.3Å; L853-L867 HydrophobicContact CD2-CD2 4.23Å; L853-L867 HydrophobicContact CG-CD1 4.34Å
854	T	84.5	Confident	80.3	Confident	61 Å²	61	63.3 Å²	63.3	37%	0.374	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	150.4	176.6	57.9	0	0	0	0	110.2	K764 N766	K764-T854 WeakPolarHBondContact CA-O 3.47Å; K764-T854 WeakPolarHBondContact CB-O 3.47Å; K764-T854 PolarHBondContact N-O 3.48Å; K764-T854 PolarHBondContact O-N 2.72Å; K764-T854 PolarHBondContact O-OG1 2.95Å; N766-T854 PolarHBondContact ND2-OG1 3.11Å
855	M	79.5	Confident	79.6	Confident	32 Å²	32	61.7 Å²	61.7	16%	0.158	33%	0.328	C	S	.	.			trans	-80.2	143.7	165	-65.4	-155.7	60.4	0	0	109.9	V761 Y763 C859 Y861 P863 L867 L875	V761-M855 HydrophobicContact CG2-CE 3.53Å; Y763-M855 HydrophobicContact CD1-CG 4.07Å; Y763-M855 HydrophobicContact CD1-SD 4.34Å; Y763-M855 HydrophobicContact CE1-CE 4.27Å; Y763-M855 HydrophobicContact CE1-CG 4.39Å; Y763-M855 HydrophobicContact CE1-SD 4.08Å; M855-C859 HydrophobicContact CE-CB 4.25Å; M855-Y861 WeakPolarHBondContact CE-O 3.32Å; M855-P863 HydrophobicContact CG-CG 4.27Å; M855-P863 HydrophobicContact SD-CB 3.95Å; M855-P863 VanDerWaalsContact SD-CD 3.54Å; M855-P863 HydrophobicContact SD-CG 3.66Å; M855-L867 HydrophobicContact CG-CD1 3.67Å; M855-L875 HydrophobicContact SD-CD2 4.31Å
856	P	79.6	Confident	79.2	Confident	33 Å²	33	66 Å²	66	21%	0.214	36%	0.356	C	S	.	.			trans	-63.6	135.7	167.2	-18.9	32.1	0	0	0	110.7	Q762 K764 T858 C859	Q762-P856 VanDerWaalsContact O-CD 3.26Å; Q762-P856 WeakPolarHBondContact O-CD 3.47Å; K764-P856 HydrophobicContact CB-CG 4.45Å; P856-T858 PolarHBondContact O-N 2.86Å; P856-T858 VanDerWaalsContact O-N 3.17Å; P856-C859 WeakPolarHBondContact O-CB 3.31Å; P856-C859 PolarHBondContact O-N 2.85Å
857	E	72.4	Confident	78.8	Confident	203 Å²	203	64 Å²	64	95%	0.949	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-19.3	174.9	-64.7	175.4	177.4	0	0	112.7	C859	E857-C859 PolarHBondContact O-N 2.7Å
858	T	72.9	Confident	78.2	Confident	139 Å²	139	63.7 Å²	63.7	85%	0.853	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	7.6	174.8	60.1	0	0	0	0	113.7	P856	P856-T858 PolarHBondContact O-N 2.86Å; P856-T858 VanDerWaalsContact O-N 3.17Å
859	C	73.6	Confident	77.5	Confident	29 Å²	29	63 Å²	63	20%	0.196	33%	0.334	C	S	.	.			trans	-86.9	133.2	-177.1	-166.7	0	0	0	0	112.3	V761 M855 P856 E857 Y861	V761-C859 VanDerWaalsContact CG2-SG 3.55Å; M855-C859 HydrophobicContact CE-CB 4.25Å; P856-C859 WeakPolarHBondContact O-CB 3.31Å; P856-C859 PolarHBondContact O-N 2.85Å; E857-C859 PolarHBondContact O-N 2.7Å; C859-Y861 PolarHBondContact O-N 2.71Å
860	R	78.3	Confident	77.2	Confident	57 Å²	57	62.8 Å²	62.8	22%	0.215	33%	0.334	C	S	.	.	S	Bend	trans	-57.6	-28.1	172.3	170.6	173.6	173.6	172.5	0.8	113.7	D877 T878 D881 I882	R860-D877 WeakPolarHBondContact CG-OD1 3.48Å; R860-D877 IonicContact CZ-OD1 2.57Å; R860-D877 IonicContact CZ-OD2 2.67Å; R860-D877 VanDerWaalsContact NE-CG 3.29Å; R860-D877 IonicContact NE-OD1 2.68Å; R860-D877 PolarHBondContact NE-OD1 3.34Å; R860-D877 IonicContact NE-OD2 3.48Å; R860-D877 PolarHBondContact NE-OD2 2.98Å; R860-D877 IonicContact NH2-OD1 3.27Å; R860-D877 IonicContact NH2-OD2 3.43Å; R860-D877 PolarHBondContact NH2-OD2 2.92Å; R860-T878 PolarHBondContact O-N 2.67Å; R860-T878 VanDerWaalsContact O-N 3.1Å; R860-T878 PolarHBondContact O-OG1 2.85Å; R860-T878 VanDerWaalsContact O-OG1 3.11Å; R860-D881 PolarHBondContact NH1-O 2.72Å; R860-D881 PolarHBondContact NH2-O 3.04Å; R860-I882 PolarHBondContact NH1-O 3.09Å
861	Y	79.5	Confident	77.1	Confident	11 Å²	11	62.3 Å²	62.3	4%	0.043	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	126	-176.2	-62.4	-72	0	0	0	111	P759 V761 M855 C859 D877	P759-Y861 HydrophobicContact CB-CD2 4.26Å; P759-Y861 HydrophobicContact CB-CE1 4.03Å; P759-Y861 HydrophobicContact CB-CE2 3.61Å; P759-Y861 VanDerWaalsContact CB-CZ 3.48Å; P759-Y861 HydrophobicContact CG-CE1 4.38Å; P759-Y861 HydrophobicContact CG-CE2 4.31Å; V761-Y861 HydrophobicContact CB-CD2 4.23Å; V761-Y861 HydrophobicContact CG2-CD2 4.37Å; M855-Y861 WeakPolarHBondContact CE-O 3.32Å; C859-Y861 PolarHBondContact O-N 2.71Å; Y861-D877 HydrophobicContact CD1-CB 4.06Å; Y861-D877 HydrophobicContact CE1-CB 3.93Å
862	Q	78.2	Confident	77.2	Confident	111 Å²	111	54.3 Å²	54.3	52%	0.519	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	135.4	175.8	-63.5	-172.8	-3.1	0	0	110.5	K876 T878	Q862-K876 PolarHBondContact N-O 3.12Å; Q862-K876 PolarHBondContact O-N 3.24Å; Q862-T878 HydrophobicContact CG-CG2 4.02Å
863	P	80.3	Confident	77.2	Confident	47 Å²	47	52.4 Å²	52.4	31%	0.305	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	129.4	-176.4	32.9	-31.3	0	0	0	110.4	M855 K865 I873 L875	M855-P863 HydrophobicContact CG-CG 4.27Å; M855-P863 HydrophobicContact SD-CB 3.95Å; M855-P863 VanDerWaalsContact SD-CD 3.54Å; M855-P863 HydrophobicContact SD-CG 3.66Å; P863-K865 VanDerWaalsContact C-N 3.27Å; P863-K865 PolarHBondContact O-N 2.79Å; P863-I873 HydrophobicContact CB-CG2 4.23Å; P863-L875 HydrophobicContact CB-CD2 3.91Å
864	F	71.8	Confident	77.1	Confident	96 Å²	96	51.9 Å²	51.9	42%	0.421	28%	0.283	S	S	.	.	S	Bend	trans	-71.3	-25.9	179.2	-166.3	-97.8	0	0	0	112.6	M244 I874	M244-F864 HydrophobicContact CB-CE1 4.11Å; M244-F864 HydrophobicContact CB-CZ 4.33Å; M244-F864 HydrophobicContact CE-CE1 3.99Å; M244-F864 HydrophobicContact CE-CZ 3.74Å; M244-F864 HydrophobicContact CG-CE1 4.28Å; F864-I874 WeakPolarHBondContact CB-O 3.19Å; F864-I874 PolarHBondContact N-O 3.43Å
865	K	73.1	Confident	77.1	Confident	8 Å²	8	49 Å²	49	4%	0.035	27%	0.265	C	S	.	.	S	Bend	trans	-118.7	140.5	-179.3	-179.8	174.3	170.8	178.1	0	110.1	I214 Q247 D251 P863 L867 I873	I214-K865 HydrophobicContact CD1-CD 4.07Å; I214-K865 HydrophobicContact CD1-CG 4.14Å; Q247-K865 HydrophobicContact CG-CB 4.49Å; Q247-K865 HydrophobicContact CG-CD 3.84Å; D251-K865 IonicContact OD1-NZ 3.03Å; D251-K865 PolarHBondContact OD1-NZ 3.12Å; D251-K865 IonicContact OD2-NZ 3.75Å; D251-K865 PolarHBondContact OD2-NZ 3.03Å; P863-K865 VanDerWaalsContact C-N 3.27Å; P863-K865 PolarHBondContact O-N 2.79Å; K865-L867 PolarHBondContact O-N 2.59Å; K865-I873 HydrophobicContact CB-CG2 4.44Å
866	P	75.1	Confident	77.2	Confident	92 Å²	92	53.1 Å²	53.1	60%	0.597	28%	0.282	S	S	*	.			trans	-56.3	134	176.2	-26.4	35.1	0	0	0	112.8	S868	P866-S868 PolarHBondContact O-N 3.45Å
867	L	74.1	Confident	77.2	Confident	17 Å²	17	53.4 Å²	53.4	9%	0.089	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-59.2	-14.4	-177.3	-83.6	171.3	0	0	0	114.9	V749 Y763 L853 M855 K865 I869 G870 I873	V749-L867 HydrophobicContact CG1-CD2 4.37Å; Y763-L867 HydrophobicContact CD1-CD1 4.36Å; Y763-L867 HydrophobicContact CD1-CD2 4.24Å; Y763-L867 HydrophobicContact CE1-CD2 4.18Å; L853-L867 HydrophobicContact CD2-CD1 4.3Å; L853-L867 HydrophobicContact CD2-CD2 4.23Å; L853-L867 HydrophobicContact CG-CD1 4.34Å; M855-L867 HydrophobicContact CG-CD1 3.67Å; K865-L867 PolarHBondContact O-N 2.59Å; L867-I869 PolarHBondContact O-N 2.84Å; L867-G870 PolarHBondContact O-N 3.49Å; L867-I873 HydrophobicContact CD2-CD1 3.8Å
868	S	67.9	Low	77.4	Confident	89 Å²	89	47.4 Å²	47.4	62%	0.622	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-55.1	-19.9	-173.7	-46.9	0	0	0	0	115.9	P866	P866-S868 PolarHBondContact O-N 3.45Å
869	I	67.3	Low	77	Confident	45 Å²	45	43.3 Å²	43.3	23%	0.231	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-99	-25.4	179.7	-65.8	168.4	0	0	0	111.5	R712 L867	R712-I869 HydrophobicContact CB-CG2 3.92Å; R712-I869 WeakPolarHBondContact CD-O 3.49Å; R712-I869 PolarHBondContact NH1-O 3.22Å; R712-I869 VanDerWaalsContact NH1-O 3.12Å; L867-I869 PolarHBondContact O-N 2.84Å
870	G	75.8	Confident	76.2	Confident	2 Å²	2	51.4 Å²	51.4	2%	0.021	27%	0.271	C	S	.	.			trans	60	-153.6	-168.9	0	0	0	0	0	112.8	L867	L867-G870 PolarHBondContact O-N 3.49Å
871	G	82.4	Confident	75.2	Confident	2 Å²	2	53.9 Å²	53.9	2%	0.021	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	85.7	-152.9	179	0	0	0	0	0	112	C748 V749 I750	C748-G871 WeakPolarHBondContact O-CA 3.4Å; C748-G871 PolarHBondContact O-N 2.92Å; V749-G871 WeakPolarHBondContact CA-O 3.21Å; I750-G871 PolarHBondContact N-O 3.34Å
872	I	84.6	Confident	74	Confident	14 Å²	14	61.1 Å²	61.1	7%	0.072	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	120.8	173.3	-61.1	173.9	0	0	0	108.4	Q247 F250 A334 L337 I750 L752	Q247-I872 PolarHBondContact NE2-O 3.47Å; F250-I872 HydrophobicContact CD1-CB 4.13Å; F250-I872 HydrophobicContact CD1-CD1 3.69Å; F250-I872 HydrophobicContact CD1-CG2 3.95Å; F250-I872 HydrophobicContact CD2-CG2 3.81Å; F250-I872 HydrophobicContact CE1-CB 4.45Å; F250-I872 HydrophobicContact CE1-CD1 3.6Å; F250-I872 HydrophobicContact CE1-CG2 3.92Å; F250-I872 HydrophobicContact CE2-CG2 3.8Å; F250-I872 HydrophobicContact CG-CB 4.21Å; F250-I872 HydrophobicContact CG-CG2 3.91Å; F250-I872 HydrophobicContact CZ-CD1 4.44Å; F250-I872 HydrophobicContact CZ-CG2 3.85Å; A334-I872 HydrophobicContact CB-CD1 3.91Å; L337-I872 HydrophobicContact CD1-CD1 4.13Å; I750-I872 HydrophobicContact CB-CG1 4.29Å; I750-I872 WeakPolarHBondContact O-CA 3.44Å; L752-I872 HydrophobicContact CD1-CG2 3.49Å; L752-I872 VanDerWaalsContact CD1-CG2 3.49Å; L752-I872 HydrophobicContact CG-CG2 4.05Å
873	I	85.3	Confident	73.1	Confident	1 Å²	1	58.8 Å²	58.8	1%	0.005	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	124.3	-175.6	-63	174.4	0	0	0	109.1	I750 G751 L752 P863 K865 L867 L875	I750-I873 PolarHBondContact O-N 2.97Å; G751-I873 WeakPolarHBondContact CA-O 3.26Å; L752-I873 PolarHBondContact N-O 3.19Å; P863-I873 HydrophobicContact CB-CG2 4.23Å; K865-I873 HydrophobicContact CB-CG2 4.44Å; L867-I873 HydrophobicContact CD2-CD1 3.8Å; I873-L875 HydrophobicContact CG2-CD2 4.34Å; I873-L875 PolarHBondContact O-N 3.4Å
874	I	83.8	Confident	72	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	123.4	172.6	-54.4	-56.6	0	0	0	109.5	L243 Q247 F250 L752 L756 F864	L243-I874 HydrophobicContact CB-CG2 3.97Å; L243-I874 HydrophobicContact CD2-CG2 4.03Å; L243-I874 HydrophobicContact CG-CG2 3.8Å; Q247-I874 HydrophobicContact CB-CG1 4.1Å; F250-I874 HydrophobicContact CD2-CD1 4.27Å; F250-I874 HydrophobicContact CE2-CD1 4.03Å; L752-I874 HydrophobicContact CB-CD1 4.33Å; L756-I874 HydrophobicContact CD2-CD1 4.37Å; F864-I874 WeakPolarHBondContact CB-O 3.19Å; F864-I874 PolarHBondContact N-O 3.43Å
875	L	83.1	Confident	71.5	Confident	2 Å²	2	60.7 Å²	60.7	1%	0.01	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	130.5	173.5	-59.3	-177.5	0	0	0	109.2	L752 P759 V761 M855 P863 I873	L752-L875 PolarHBondContact O-N 3.34Å; P759-L875 HydrophobicContact CG-CD1 4.03Å; V761-L875 HydrophobicContact CG1-CD1 3.85Å; M855-L875 HydrophobicContact SD-CD2 4.31Å; P863-L875 HydrophobicContact CB-CD2 3.91Å; I873-L875 HydrophobicContact CG2-CD2 4.34Å; I873-L875 PolarHBondContact O-N 3.4Å
876	K	81.7	Confident	70.7	Confident	118 Å²	118	61.5 Å²	61.5	51%	0.513	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	126.4	169.2	-176.3	-178.6	175.2	-174	0	108.6	L243 Q862	L243-K876 HydrophobicContact CD2-CB 4.11Å; L243-K876 HydrophobicContact CD2-CG 4.32Å; Q862-K876 PolarHBondContact N-O 3.12Å; Q862-K876 PolarHBondContact O-N 3.24Å
877	D	80.1	Confident	69.6	Low	39 Å²	39	65 Å²	65	21%	0.209	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	146.7	169.2	-159.9	-18	0	0	0	111	R860 Y861 S879	R860-D877 WeakPolarHBondContact CG-OD1 3.48Å; R860-D877 IonicContact CZ-OD1 2.57Å; R860-D877 IonicContact CZ-OD2 2.67Å; R860-D877 VanDerWaalsContact NE-CG 3.29Å; R860-D877 IonicContact NE-OD1 2.68Å; R860-D877 PolarHBondContact NE-OD1 3.34Å; R860-D877 IonicContact NE-OD2 3.48Å; R860-D877 PolarHBondContact NE-OD2 2.98Å; R860-D877 IonicContact NH2-OD1 3.27Å; R860-D877 IonicContact NH2-OD2 3.43Å; R860-D877 PolarHBondContact NH2-OD2 2.92Å; Y861-D877 HydrophobicContact CD1-CB 4.06Å; Y861-D877 HydrophobicContact CE1-CB 3.93Å; D877-S879 PolarHBondContact OD1-N 2.99Å
878	T	75.5	Confident	68.3	Low	77 Å²	77	69.3 Å²	69.3	47%	0.472	37%	0.367	S	S	.	.			trans	-126.3	9.5	175.4	68.2	0	0	0	0	114.1	R860 Q862	R860-T878 PolarHBondContact O-N 2.67Å; R860-T878 VanDerWaalsContact O-N 3.1Å; R860-T878 PolarHBondContact O-OG1 2.85Å; R860-T878 VanDerWaalsContact O-OG1 3.11Å; Q862-T878 HydrophobicContact CG-CG2 4.02Å
879	S	65.4	Low	67.7	Low	53 Å²	53	67.2 Å²	67.2	37%	0.371	35%	0.35	S	S	.	.			trans	-119.4	161.1	168.9	-150	0	0	0	0	112.4	D877 D881	D877-S879 PolarHBondContact OD1-N 2.99Å; S879-D881 WeakPolarHBondContact CB-OD2 3.37Å; S879-D881 PolarHBondContact OG-OD2 2.82Å
880	E	57.6	Low	66.5	Low	199 Å²	199	68.1 Å²	68.1	93%	0.93	36%	0.364	S	S	*	.			trans	-99.3	-0.8	-178.5	-61.7	-174.1	161.7	0	0	113.4
881	D	56	Low	64.6	Low	108 Å²	108	69.5 Å²	69.5	58%	0.578	38%	0.375	S	S	*	.	S	Bend	trans	-69.8	170.5	-179.4	-44.3	-82.6	0	0	0	112.5	R860 S879 E883	R860-D881 PolarHBondContact NH1-O 2.72Å; R860-D881 PolarHBondContact NH2-O 3.04Å; S879-D881 WeakPolarHBondContact CB-OD2 3.37Å; S879-D881 PolarHBondContact OG-OD2 2.82Å; D881-E883 PolarHBondContact O-N 2.87Å
882	I	55	Low	62.6	Low	163 Å²	163	75 Å²	75	84%	0.836	40%	0.4	S	S	*	.	P	Polyproline II helix	trans	-62.5	137.5	173.7	-57.5	176.3	0	0	0	109.8	R860	R860-I882 PolarHBondContact NH1-O 3.09Å
883	E	58.7	Low	60.2	Low	63 Å²	63	75.4 Å²	75.4	29%	0.294	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-78.9	130.6	178.5	-70.1	-172.1	-153.2	0	0	112.3	N753 D881	N753-E883 PolarHBondContact ND2-OE2 3.14Å; D881-E883 PolarHBondContact O-N 2.87Å
884	E	58.6	Low	57.5	Low	126 Å²	126	78.5 Å²	78.5	59%	0.589	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-85.1	118.9	164.4	-78.3	-161.9	-121.4	0	0	111.6	K760	K760-E884 HydrophobicContact CB-CB 4.45Å; K760-E884 HydrophobicContact CD-CB 4Å; K760-E884 WeakPolarHBondContact CD-OE2 3.49Å; K760-E884 WeakPolarHBondContact CE-OE2 3.11Å; K760-E884 HydrophobicContact CG-CB 4.29Å; K760-E884 PolarHBondContact N-O 2.73Å; K760-E884 IonicContact NZ-OE2 2.69Å; K760-E884 PolarHBondContact NZ-OE2 3.13Å
885	L	59.5	Low	54.9	Low	57 Å²	57	84.6 Å²	84.6	30%	0.298	45%	0.454	S	S	.	.	B	Isolated β-bridge	trans	-104.6	158.2	-177.9	-62.7	174.7	0	0	0	112.3	K757 M758 K760	K757-L885 HydrophobicContact CB-CD1 4.36Å; K757-L885 HydrophobicContact CB-CD2 3.92Å; K757-L885 HydrophobicContact CD-CD1 3.59Å; M758-L885 WeakPolarHBondContact O-CA 3.46Å; K760-L885 WeakPolarHBondContact CE-O 3.43Å
886	V	57.4	Low	52.7	Low	25 Å²	25	90.6 Å²	90.6	15%	0.152	49%	0.485	C	S	.	.			trans	-87.9	112.2	173.5	177.7	0	0	0	0	109.1	R344 M758 K760	R344-V886 VanDerWaalsContact NH1-CG1 3.33Å; M758-V886 HydrophobicContact CB-CB 4.02Å; M758-V886 HydrophobicContact CB-CG2 4.35Å; M758-V886 PolarHBondContact O-N 3Å; K760-V886 HydrophobicContact CG-CG2 3.93Å
887	E	52.1	Low	50.4	Low	164 Å²	164	91.4 Å²	91.4	77%	0.766	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-62.3	132.6	-178.6	-64.9	179.3	158.2	0	0	111.6	R344	R344-E887 VanDerWaalsContact CZ-O 3.22Å; R344-E887 PolarHBondContact NH1-O 3.12Å; R344-E887 PolarHBondContact NH2-O 3.09Å
888	P	46.8	Very low	48.2	Very low	109 Å²	109	96.1 Å²	96.1	71%	0.708	51%	0.511	S	S	*	.	P	Polyproline II helix	trans	-61.3	131.4	175.2	-23.5	34.7	0	0	0	112.4
889	V	54	Low	46.3	Very low	45 Å²	45	99.8 Å²	99.8	27%	0.273	52%	0.523	S	S	.	.	P	Polyproline II helix	trans	-89.9	129.9	174.5	170	0	0	0	0	108.6	Q340 I343 R344	Q340-V889 PolarHBondContact NE2-O 3.25Å; I343-V889 HydrophobicContact CG2-CG1 3.99Å; R344-V889 HydrophobicContact CG-CB 4.39Å; R344-V889 HydrophobicContact CG-CG2 4.07Å
890	A	42.2	Very low	44.6	Very low	64 Å²	64	104.7 Å²	104.7	53%	0.529	54%	0.54	S	S	.	.	P	Polyproline II helix	trans	-63.9	144.7	174	0	0	0	0	0	110.9	G893	A890-G893 WeakPolarHBondContact O-CA 3.42Å; A890-G893 PolarHBondContact O-N 3.07Å
891	A	37.6	Very low	43.5	Very low	31 Å²	31	102.8 Å²	102.8	26%	0.256	53%	0.531	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	152.4	168.2	0	0	0	0	0	110.2	I343 T381 H415 G893	I343-A891 HydrophobicContact CD1-CB 4.05Å; T381-A891 HydrophobicContact CG2-CB 4.25Å; H415-A891 WeakPolarHBondContact CE1-CB 3.36Å; H415-A891 VanDerWaalsContact NE2-CB 3.31Å; H415-A891 WeakPolarHBondContact NE2-CB 3.48Å; A891-G893 PolarHBondContact O-N 3.18Å
892	H	39.3	Very low	42.6	Very low	117 Å²	117	106.1 Å²	106.1	54%	0.542	54%	0.544	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.5	-2.4	-158.1	-96.8	38.7	0	0	0	116	D383	D383-H892 IonicContact OD1-CE1 3.2Å; D383-H892 PolarHBondContact OD1-CE1 3.24Å; D383-H892 IonicContact OD1-NE2 2.67Å
893	G	33.7	Very low	41.9	Very low	22 Å²	22	104.2 Å²	104.2	23%	0.227	54%	0.542	C	S	.	.			trans	87.6	-166.4	-179.3	0	0	0	0	0	112.7	A890 A891	A890-G893 WeakPolarHBondContact O-CA 3.42Å; A890-G893 PolarHBondContact O-N 3.07Å; A891-G893 PolarHBondContact O-N 3.18Å
894	P	29.8	Very low	41.1	Very low	66 Å²	66	109.8 Å²	109.8	43%	0.429	57%	0.568	S	S	.	*	S	Bend	trans	-57.1	152.7	161.6	28.9	-34.6	0	0	0	109.4	E898	P894-E898 HydrophobicContact CB-CB 4.46Å; P894-E898 WeakPolarHBondContact CB-OE2 3.37Å
895	K	29.8	Very low	40.4	Very low	129 Å²	129	109.3 Å²	109.3	56%	0.561	58%	0.575	S	S	*	*			trans	-63.5	144.6	172.1	-68.4	174.9	108.3	-157.1	0	108	E897 E898	K895-E897 HydrophobicContact CB-CB 4.09Å; K895-E897 HydrophobicContact CB-CG 4.44Å; K895-E897 WeakPolarHBondContact CE-OE2 3.36Å; K895-E897 VanDerWaalsContact NZ-CD 3.29Å; K895-E897 IonicContact NZ-OE1 3.22Å; K895-E897 PolarHBondContact NZ-OE1 2.83Å; K895-E897 IonicContact NZ-OE2 2.65Å; K895-E897 PolarHBondContact NZ-OE2 2.65Å; K895-E897 PolarHBondContact O-N 3.06Å; K895-E897 VanDerWaalsContact O-N 3.09Å; K895-E898 VanDerWaalsContact O-CB 3.27Å; K895-E898 WeakPolarHBondContact O-CB 3.27Å; K895-E898 PolarHBondContact O-N 3.22Å
896	I	35.1	Very low	39.8	Very low	128 Å²	128	112.5 Å²	112.5	66%	0.656	60%	0.599	S	S	*	*	H	α-helix	trans	-57.1	-28.8	173.6	-61.7	169.6	0	0	0	110.8	E898 E899 E900	I896-E898 PolarHBondContact O-N 3.48Å; I896-E899 PolarHBondContact O-N 3.27Å; I896-E900 WeakPolarHBondContact O-CB 3.38Å; I896-E900 PolarHBondContact O-N 3.38Å
897	E	34.6	Very low	39.4	Very low	135 Å²	135	120 Å²	120	63%	0.631	63%	0.633	S	S	*	*	H	α-helix	trans	-54.2	-19	169.6	-59.4	170.9	-172.7	0	0	114.9	K895	K895-E897 HydrophobicContact CB-CB 4.09Å; K895-E897 HydrophobicContact CB-CG 4.44Å; K895-E897 WeakPolarHBondContact CE-OE2 3.36Å; K895-E897 VanDerWaalsContact NZ-CD 3.29Å; K895-E897 IonicContact NZ-OE1 3.22Å; K895-E897 PolarHBondContact NZ-OE1 2.83Å; K895-E897 IonicContact NZ-OE2 2.65Å; K895-E897 PolarHBondContact NZ-OE2 2.65Å; K895-E897 PolarHBondContact O-N 3.06Å; K895-E897 VanDerWaalsContact O-N 3.09Å
898	E	34.3	Very low	39.1	Very low	137 Å²	137	118 Å²	118	64%	0.64	63%	0.634	S	S	*	*	H	α-helix	trans	-101.7	-24.4	-177.5	-163.9	165.8	-138	0	0	112.2	P894 K895 I896 E900	P894-E898 HydrophobicContact CB-CB 4.46Å; P894-E898 WeakPolarHBondContact CB-OE2 3.37Å; K895-E898 VanDerWaalsContact O-CB 3.27Å; K895-E898 WeakPolarHBondContact O-CB 3.27Å; K895-E898 PolarHBondContact O-N 3.22Å; I896-E898 PolarHBondContact O-N 3.48Å; E898-E900 VanDerWaalsContact C-N 3.34Å
899	E	34.3	Very low	39	Very low	154 Å²	154	120.4 Å²	120.4	72%	0.72	63%	0.634	S	S	*	*	H	α-helix	trans	-82.8	-13	166.5	-65.1	-169.7	162	0	0	112.5	I896	I896-E899 PolarHBondContact O-N 3.27Å
900	E	31.3	Very low	38.4	Very low	156 Å²	156	126.8 Å²	126.8	73%	0.729	66%	0.66	S	S	*	*			trans	-99.4	14.4	-177.9	-155.6	162.9	-134.8	0	0	113.4	I896 E898 E902	I896-E900 WeakPolarHBondContact O-CB 3.38Å; I896-E900 PolarHBondContact O-N 3.38Å; E898-E900 VanDerWaalsContact C-N 3.34Å; E900-E902 PolarHBondContact O-N 3.44Å
901	Q	34.4	Very low	38.6	Very low	160 Å²	160	132.3 Å²	132.3	75%	0.748	67%	0.669	S	S	*	*			trans	-73.9	112.5	157.6	-77.8	-166.3	-10.9	0	0	109.4
902	E	36.2	Very low	39	Very low	178 Å²	178	139 Å²	139	83%	0.832	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-54.9	137.3	161.8	-64.5	-171.8	132.2	0	0	108.9	E900 E904	E900-E902 PolarHBondContact O-N 3.44Å; E902-E904 PolarHBondContact O-N 3.11Å
903	P	40.7	Very low	39.2	Very low	123 Å²	123	140.5 Å²	140.5	80%	0.799	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-59.2	130.3	177.5	25.3	-33.8	0	0	0	109.2
904	E	42.3	Very low	39.3	Very low	180 Å²	180	150.8 Å²	150.8	84%	0.841	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-51.8	134	-175.6	-66.6	-169	134.6	0	0	110.6	E902	E902-E904 PolarHBondContact O-N 3.11Å
905	P	44.1	Very low	39.8	Very low	115 Å²	115	155.1 Å²	155.1	75%	0.747	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-59.7	133.7	-178.4	25.2	-33.7	0	0	0	109	E907	P905-E907 PolarHBondContact O-N 3.41Å
906	P	46.6	Very low	40.3	Very low	124 Å²	124	156.4 Å²	156.4	81%	0.805	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-57.3	138.9	-174.4	23.7	-34.2	0	0	0	110.5
907	E	48	Very low	40.6	Very low	183 Å²	183	158 Å²	158	86%	0.855	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-49.3	138.2	-176.8	-64.9	-177.6	129.9	0	0	111.1	P905 F909	P905-E907 PolarHBondContact O-N 3.41Å; E907-F909 PolarHBondContact O-N 3.3Å; E907-F909 VanDerWaalsContact O-N 3.11Å
908	P	45.3	Very low	41	Very low	121 Å²	121	159.4 Å²	159.4	79%	0.786	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-60.6	121.1	-175.1	25.2	-33.9	0	0	0	109.7	E910	P908-E910 PolarHBondContact O-N 3.4Å
909	F	44.4	Very low	41.4	Very low	161 Å²	161	160.8 Å²	160.8	71%	0.706	82%	0.816	S	S	*	*			trans	-51.5	107.5	-179.4	-179	-91.7	0	0	0	110.8	E907 Y911	E907-F909 PolarHBondContact O-N 3.3Å; E907-F909 VanDerWaalsContact O-N 3.11Å; F909-Y911 AromaticContact CD1-CD2 3.98Å; F909-Y911 HydrophobicContact CD1-CD2 3.98Å; F909-Y911 AromaticContact CD1-CE2 3.92Å; F909-Y911 HydrophobicContact CD1-CE2 3.92Å; F909-Y911 HydrophobicContact CD1-CG 4.33Å; F909-Y911 HydrophobicContact CE1-CD1 4.36Å; F909-Y911 HydrophobicContact CE1-CD2 4.5Å; F909-Y911 HydrophobicContact CE1-CE1 4.4Å; F909-Y911 HydrophobicContact CE1-CG 4.42Å; F909-Y911 WeakPolarHBondContact O-CD2 3.5Å; F909-Y911 PolarHBondContact O-N 3.07Å
910	E	42.4	Very low	41.9	Very low	178 Å²	178	161.2 Å²	161.2	83%	0.832	82%	0.822	S	S	*	*			trans	-63.7	109.7	172.9	-68.9	-167.1	145.6	0	0	108.6	P908 I912	P908-E910 PolarHBondContact O-N 3.4Å; E910-I912 PolarHBondContact O-N 2.94Å
911	Y	47.3	Very low	42.6	Very low	180 Å²	180	161.6 Å²	161.6	71%	0.706	83%	0.829	S	S	*	*			trans	-67.2	126.3	163.1	-74.6	-97.9	0	0	0	107.4	F909 D913	F909-Y911 AromaticContact CD1-CD2 3.98Å; F909-Y911 HydrophobicContact CD1-CD2 3.98Å; F909-Y911 AromaticContact CD1-CE2 3.92Å; F909-Y911 HydrophobicContact CD1-CE2 3.92Å; F909-Y911 HydrophobicContact CD1-CG 4.33Å; F909-Y911 HydrophobicContact CE1-CD1 4.36Å; F909-Y911 HydrophobicContact CE1-CD2 4.5Å; F909-Y911 HydrophobicContact CE1-CE1 4.4Å; F909-Y911 HydrophobicContact CE1-CG 4.42Å; F909-Y911 WeakPolarHBondContact O-CD2 3.5Å; F909-Y911 PolarHBondContact O-N 3.07Å; Y911-D913 VanDerWaalsContact C-N 3.33Å; Y911-D913 PolarHBondContact O-N 3.02Å
912	I	44.8	Very low	43.3	Very low	171 Å²	171	161.7 Å²	161.7	88%	0.877	84%	0.835	S	S	*	*			trans	-72.1	96.7	166.4	-57.1	175.4	0	0	0	105.9	E910	E910-I912 PolarHBondContact O-N 2.94Å
913	D	43.8	Very low	43.9	Very low	150 Å²	150	160.3 Å²	160.3	80%	0.802	84%	0.836	S	S	*	*			trans	-65.5	147	172.9	-75.5	-26.9	0	0	0	110.9	Y911	Y911-D913 VanDerWaalsContact C-N 3.33Å; Y911-D913 PolarHBondContact O-N 3.02Å
914	D	36.7	Very low	44.2	Very low	238 Å²	238	163.7 Å²	163.7	100%	1.273	84%	0.839	S	S	*	*			trans	-127.1	0	-178.5	-165.9	50.6	0	0	0	109.5

Retrieved 914 of 914 residues in 420.9 ms (Link to these results)

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