A0A087YP84_POEFO Loading...

Phosphodiesterase

AlphaFold DB , UniProt , Accession A0A087YP84, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 854 aa.

						>A0A087YP84_POEFO|A0A087YP84
MGVQKEDVEKFLRDNPAFAAKYFCKTLSPSSISKISGLPEKEIDFGKLEELSRVEESRIMFDLIKDMQENINMEKVVFKILKRLGALIHADRCSLFMYRQRNGIGELATRLFNVSTNSVLEDCVVPPDSEIVYPLDLGIVGNVALTKKNVNVKDVKESQYFSSFVDELTEYETRNVLAAPILNGKDLVAVIMALNKTTGPHFTSQDEDLFLKYLKIASLNLKIFHLSYLHNCETRKGQLLLWSANKVFEELTDIERQFHKALYTVRAYLNCDRYSVGLLDMTKEKEFFDIWPVLMGEQPPYSGPVTPDGREVIFYKVIDYILHGKEDIKVIPNPPADHWALSSGLPTYVAESGFICNIMNAAADETFQFQTEPLDDSGWTIKNVLSLPIVNKKEEIVGVATFYNRKDGKPFDDHDENLMEALTQFLGWSALNTDTYDKMNKLENRKDIAQDMVLYHVKCRNDEIQNILNTREVYDCEPWDCEEEDLLDILKKDLPPLIKKFEIYEFRFSDFNCTELELVKCGIQMYYEVGVVKKFQIPQEVLVRFMYSVSKGYRKITYHNWRHGFNVGQTMFTLLTTGHLKRYYTDLEVMAMITAGFLHDIDHRGTNNLYQVKSGNPLAKLHGSSILERHHLEFGKFLLSDESLNIYQNLNRRQVDHVIHLTDIAIIATDLALYFKKRTMFQKIVDLSKTYEDEKKWVDFMSLETTRKEIVMAMMMTACDLSAITKPWEVQSKVALSVAAEFWEQGDLERTVLEQQPIPMMDRNKAAELPKLQCGFIDFVCTFVYKEFSRFHPQIQPMLDGILNNRKEWNAKKEEYEAKLKAIEEEKAAKEAAQAAKAAANNPSGGGSKTCSVC
					

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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	70.4	Confident	241 Å²	241	119.8 Å²	119.8	100%	1.187	62%	0.621	S	S	*	*				0	103.8	0	-75.8	173.9	176	0	0	106.7
2	G	49.8	Very low	71	Confident	75 Å²	75	114.2 Å²	114.2	77%	0.773	59%	0.592	S	S	*	*	P	Polyproline II helix	trans	-78.9	119.2	-176.1	0	0	0	0	0	109.8	Q4	G2-Q4 PolarHBondContact O-N 3.49Å
3	V	62.8	Low	71.4	Confident	108 Å²	108	119.6 Å²	119.6	66%	0.655	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-68.8	125.1	170.2	-175.6	0	0	0	0	107.1	D7 V8	V3-D7 HydrophobicContact CG1-CB 3.86Å; V3-V8 HydrophobicContact CG1-CG2 3.62Å
4	Q	78.4	Confident	72.1	Confident	124 Å²	124	118.9 Å²	118.9	58%	0.579	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-75.9	154.3	179	-66.9	-74.4	5.1	0	0	110	G2 E6 D7 V8	G2-Q4 PolarHBondContact O-N 3.49Å; Q4-E6 PolarHBondContact O-N 3.35Å; Q4-D7 PolarHBondContact N-OD2 2.76Å; Q4-D7 WeakPolarHBondContact O-CB 3.43Å; Q4-D7 PolarHBondContact O-N 3.46Å; Q4-V8 PolarHBondContact O-N 3.43Å
5	K	73.1	Confident	72.7	Confident	150 Å²	150	115.4 Å²	115.4	65%	0.652	58%	0.583	S	S	*	*	H	α-helix	trans	-58.9	-36	-178	-173.6	-177.7	174.1	-170.6	0	111.5	D7 V8 E9	K5-D7 VanDerWaalsContact C-N 3.28Å; K5-D7 PolarHBondContact O-N 3.24Å; K5-V8 PolarHBondContact O-N 3.11Å; K5-E9 VanDerWaalsContact CE-OE1 3.31Å; K5-E9 WeakPolarHBondContact CE-OE1 3.46Å; K5-E9 PolarHBondContact O-N 3.13Å; K5-E9 VanDerWaalsContact O-N 3.09Å
6	E	75.9	Confident	72.9	Confident	133 Å²	133	113.9 Å²	113.9	62%	0.621	58%	0.583	S	S	*	*	H	α-helix	trans	-63.6	-33.6	177.5	-61.6	85.4	-168.6	0	0	112.5	Q4 K10	Q4-E6 PolarHBondContact O-N 3.35Å; E6-K10 VanDerWaalsContact O-CB 3.31Å; E6-K10 WeakPolarHBondContact O-CB 3.46Å; E6-K10 PolarHBondContact O-N 2.7Å
7	D	77.6	Confident	73.2	Confident	93 Å²	93	111.8 Å²	111.8	50%	0.497	59%	0.587	S	S	.	*	H	α-helix	trans	-70.5	-36.9	-179.5	-61.9	-39	0	0	0	111.7	V3 Q4 K5 F11	V3-D7 HydrophobicContact CG1-CB 3.86Å; Q4-D7 PolarHBondContact N-OD2 2.76Å; Q4-D7 WeakPolarHBondContact O-CB 3.43Å; Q4-D7 PolarHBondContact O-N 3.46Å; K5-D7 VanDerWaalsContact C-N 3.28Å; K5-D7 PolarHBondContact O-N 3.24Å; D7-F11 VanDerWaalsContact O-CB 3.3Å; D7-F11 WeakPolarHBondContact O-CB 3.46Å; D7-F11 PolarHBondContact O-N 2.92Å
8	V	73.7	Confident	73.6	Confident	68 Å²	68	111.3 Å²	111.3	41%	0.412	58%	0.579	S	S	.	*	H	α-helix	trans	-71.3	-43.3	176.3	-177.2	0	0	0	0	110.9	V3 Q4 K5 K10 F11 L12	V3-V8 HydrophobicContact CG1-CG2 3.62Å; Q4-V8 PolarHBondContact O-N 3.43Å; K5-V8 PolarHBondContact O-N 3.11Å; V8-K10 VanDerWaalsContact C-N 3.32Å; V8-K10 PolarHBondContact O-N 3.32Å; V8-F11 PolarHBondContact O-N 3.11Å; V8-L12 HydrophobicContact CG1-CD1 3.97Å; V8-L12 HydrophobicContact CG1-CG 4.41Å; V8-L12 WeakPolarHBondContact O-CB 3.48Å; V8-L12 WeakPolarHBondContact O-CG 3.38Å; V8-L12 PolarHBondContact O-N 2.93Å
9	E	76.3	Confident	73.7	Confident	86 Å²	86	106.3 Å²	106.3	40%	0.402	56%	0.556	S	S	.	*	H	α-helix	trans	-63.2	-40.3	177.5	-77.8	-173.6	-169.2	0	0	111.8	K5 R13	K5-E9 VanDerWaalsContact CE-OE1 3.31Å; K5-E9 WeakPolarHBondContact CE-OE1 3.46Å; K5-E9 PolarHBondContact O-N 3.13Å; K5-E9 VanDerWaalsContact O-N 3.09Å; E9-R13 WeakPolarHBondContact O-CB 3.38Å; E9-R13 PolarHBondContact O-N 2.89Å; E9-R13 VanDerWaalsContact O-N 3.07Å; E9-R13 IonicContact OE2-NH2 3.12Å
10	K	79.4	Confident	73.6	Confident	137 Å²	137	103.8 Å²	103.8	60%	0.596	55%	0.551	S	S	*	*	H	α-helix	trans	-64.6	-46.6	174.9	-170.5	177	179.3	-175.3	0	111.3	E6 V8 L12 R13 D14	E6-K10 VanDerWaalsContact O-CB 3.31Å; E6-K10 WeakPolarHBondContact O-CB 3.46Å; E6-K10 PolarHBondContact O-N 2.7Å; V8-K10 VanDerWaalsContact C-N 3.32Å; V8-K10 PolarHBondContact O-N 3.32Å; K10-L12 PolarHBondContact O-N 3.36Å; K10-R13 PolarHBondContact O-N 3.12Å; K10-D14 WeakPolarHBondContact O-CB 3.39Å; K10-D14 VanDerWaalsContact O-CG 3.26Å; K10-D14 PolarHBondContact O-N 3.24Å
11	F	80.8	Confident	73.7	Confident	103 Å²	103	106.9 Å²	106.9	45%	0.452	56%	0.56	S	S	.	*	H	α-helix	trans	-60.2	-42	178.2	-179.4	-96.5	0	0	0	113.2	D7 V8 D14 N15 F18	D7-F11 VanDerWaalsContact O-CB 3.3Å; D7-F11 WeakPolarHBondContact O-CB 3.46Å; D7-F11 PolarHBondContact O-N 2.92Å; V8-F11 PolarHBondContact O-N 3.11Å; F11-D14 PolarHBondContact O-N 3.48Å; F11-N15 WeakPolarHBondContact O-CB 3.2Å; F11-N15 PolarHBondContact O-N 3.1Å; F11-N15 VanDerWaalsContact O-N 3.07Å; F11-N15 PolarHBondContact O-ND2 2.97Å; F11-F18 AromaticContact CE1-CD1 3.74Å; F11-F18 HydrophobicContact CE1-CD1 3.74Å; F11-F18 AromaticContact CE1-CE1 3.79Å; F11-F18 HydrophobicContact CE1-CE1 3.79Å; F11-F18 HydrophobicContact CE1-CG 4.38Å; F11-F18 HydrophobicContact CE1-CZ 4.47Å; F11-F18 HydrophobicContact CZ-CD1 4.49Å
12	L	77.4	Confident	74.9	Confident	52 Å²	52	101.2 Å²	101.2	27%	0.272	53%	0.526	S	S	.	.	H	α-helix	trans	-70	-34.9	178	-72.3	171.5	0	0	0	112.5	V8 K10 N15 F18 A19	V8-L12 HydrophobicContact CG1-CD1 3.97Å; V8-L12 HydrophobicContact CG1-CG 4.41Å; V8-L12 WeakPolarHBondContact O-CB 3.48Å; V8-L12 WeakPolarHBondContact O-CG 3.38Å; V8-L12 PolarHBondContact O-N 2.93Å; K10-L12 PolarHBondContact O-N 3.36Å; L12-N15 CarbonylContact O-C 3.56Å; L12-F18 HydrophobicContact CD2-CD1 4.44Å; L12-A19 HydrophobicContact CD2-CB 3.93Å
13	R	76.1	Confident	75.8	Confident	185 Å²	185	102.3 Å²	102.3	70%	0.698	51%	0.51	S	S	*	.	H	α-helix	trans	-66.3	-42.3	174.1	-122.1	179.2	-76.7	-176.6	-5.3	111.9	E9 K10 N15	E9-R13 WeakPolarHBondContact O-CB 3.38Å; E9-R13 PolarHBondContact O-N 2.89Å; E9-R13 VanDerWaalsContact O-N 3.07Å; E9-R13 IonicContact OE2-NH2 3.12Å; K10-R13 PolarHBondContact O-N 3.12Å; R13-N15 VanDerWaalsContact C-N 3.3Å; R13-N15 PolarHBondContact O-N 2.89Å
14	D	81.4	Confident	75.8	Confident	109 Å²	109	102 Å²	102	58%	0.583	51%	0.511	S	S	*	.	H	α-helix	trans	-77.8	-16.5	-177.3	-65.5	-17.3	0	0	0	112.5	K10 F11 P16	K10-D14 WeakPolarHBondContact O-CB 3.39Å; K10-D14 VanDerWaalsContact O-CG 3.26Å; K10-D14 PolarHBondContact O-N 3.24Å; F11-D14 PolarHBondContact O-N 3.48Å; D14-P16 VanDerWaalsContact C-CD 3.47Å; D14-P16 WeakPolarHBondContact O-CD 3.41Å
15	N	81.1	Confident	75	Confident	67 Å²	67	103.8 Å²	103.8	36%	0.358	52%	0.517	S	S	.	.			trans	-127	66.3	-179.6	-61.9	-87.8	0	0	0	112.6	F11 L12 R13 A17 F18 A19	F11-N15 WeakPolarHBondContact O-CB 3.2Å; F11-N15 PolarHBondContact O-N 3.1Å; F11-N15 VanDerWaalsContact O-N 3.07Å; F11-N15 PolarHBondContact O-ND2 2.97Å; L12-N15 CarbonylContact O-C 3.56Å; R13-N15 VanDerWaalsContact C-N 3.3Å; R13-N15 PolarHBondContact O-N 2.89Å; N15-A17 VanDerWaalsContact C-N 3.26Å; N15-A17 PolarHBondContact O-N 2.8Å; N15-F18 HydrophobicContact CB-CB 3.87Å; N15-F18 WeakPolarHBondContact O-CB 3.08Å; N15-F18 PolarHBondContact O-N 3.07Å; N15-A19 PolarHBondContact O-N 2.87Å
16	P	75.9	Confident	74.1	Confident	91 Å²	91	98.7 Å²	98.7	59%	0.591	50%	0.499	S	S	*	.	H	α-helix	trans	-62.9	-30.3	-177.1	22.9	-31.8	0	0	0	113.1	D14 A19 A20	D14-P16 VanDerWaalsContact C-CD 3.47Å; D14-P16 WeakPolarHBondContact O-CD 3.41Å; P16-A19 PolarHBondContact O-N 2.9Å; P16-A20 VanDerWaalsContact O-CB 3.31Å; P16-A20 WeakPolarHBondContact O-CB 3.41Å; P16-A20 PolarHBondContact O-N 2.9Å
17	A	77.6	Confident	73	Confident	78 Å²	78	97.7 Å²	97.7	65%	0.645	50%	0.497	S	S	*	.	H	α-helix	trans	-68.1	-37.3	174.4	0	0	0	0	0	112.4	N15 K21	N15-A17 VanDerWaalsContact C-N 3.26Å; N15-A17 PolarHBondContact O-N 2.8Å; A17-K21 VanDerWaalsContact O-CB 3.25Å; A17-K21 WeakPolarHBondContact O-CB 3.36Å; A17-K21 PolarHBondContact O-N 3.09Å
18	F	81.3	Confident	71.8	Confident	103 Å²	103	94.6 Å²	94.6	45%	0.452	48%	0.483	S	S	.	.	H	α-helix	trans	-69.6	-44.1	173.7	178.5	-92.5	0	0	0	110.6	F11 L12 N15 A20 K21 Y22	F11-F18 AromaticContact CE1-CD1 3.74Å; F11-F18 HydrophobicContact CE1-CD1 3.74Å; F11-F18 AromaticContact CE1-CE1 3.79Å; F11-F18 HydrophobicContact CE1-CE1 3.79Å; F11-F18 HydrophobicContact CE1-CG 4.38Å; F11-F18 HydrophobicContact CE1-CZ 4.47Å; F11-F18 HydrophobicContact CZ-CD1 4.49Å; L12-F18 HydrophobicContact CD2-CD1 4.44Å; N15-F18 HydrophobicContact CB-CB 3.87Å; N15-F18 WeakPolarHBondContact O-CB 3.08Å; N15-F18 PolarHBondContact O-N 3.07Å; F18-A20 PolarHBondContact O-N 3.39Å; F18-K21 PolarHBondContact O-N 2.85Å; F18-Y22 HydrophobicContact CE1-CD2 4.43Å; F18-Y22 HydrophobicContact CE1-CG 4.45Å; F18-Y22 HydrophobicContact CZ-CD2 4.32Å; F18-Y22 WeakPolarHBondContact O-CB 3.44Å; F18-Y22 PolarHBondContact O-N 3.46Å
19	A	75.1	Confident	70.5	Confident	16 Å²	16	96.8 Å²	96.8	13%	0.132	50%	0.498	C	S	.	.	H	α-helix	trans	-58	-49.3	175.7	0	0	0	0	0	111.1	L12 N15 P16 K21 Y22 F23	L12-A19 HydrophobicContact CD2-CB 3.93Å; N15-A19 PolarHBondContact O-N 2.87Å; P16-A19 PolarHBondContact O-N 2.9Å; A19-K21 PolarHBondContact O-N 3.33Å; A19-Y22 PolarHBondContact O-N 2.76Å; A19-F23 HydrophobicContact CB-CD2 4.39Å; A19-F23 WeakPolarHBondContact O-CB 3.03Å; A19-F23 WeakPolarHBondContact O-CD2 3.34Å; A19-F23 PolarHBondContact O-N 2.85Å
20	A	71	Confident	69	Low	56 Å²	56	96.6 Å²	96.6	46%	0.463	51%	0.506	S	S	.	.	H	α-helix	trans	-59.6	-45.6	176.7	0	0	0	0	0	111.9	P16 F18 C24	P16-A20 VanDerWaalsContact O-CB 3.31Å; P16-A20 WeakPolarHBondContact O-CB 3.41Å; P16-A20 PolarHBondContact O-N 2.9Å; F18-A20 PolarHBondContact O-N 3.39Å; A20-C24 WeakPolarHBondContact O-CB 3.49Å; A20-C24 PolarHBondContact O-N 3.11Å; A20-C24 PolarHBondContact O-SG 2.9Å
21	K	75.6	Confident	67.6	Low	169 Å²	169	91.7 Å²	91.7	74%	0.735	49%	0.489	S	S	*	.	H	α-helix	trans	-69.5	-35.2	179.9	-158.8	175.7	-171.1	177.6	0	112.7	A17 F18 A19 K25	A17-K21 VanDerWaalsContact O-CB 3.25Å; A17-K21 WeakPolarHBondContact O-CB 3.36Å; A17-K21 PolarHBondContact O-N 3.09Å; F18-K21 PolarHBondContact O-N 2.85Å; A19-K21 PolarHBondContact O-N 3.33Å; K21-K25 WeakPolarHBondContact O-CB 3.46Å; K21-K25 PolarHBondContact O-N 3.46Å
22	Y	72.2	Confident	66.2	Low	122 Å²	122	89.6 Å²	89.6	48%	0.478	48%	0.482	S	S	.	.	H	α-helix	trans	-67.5	-58.5	175.7	-177.8	-97.4	0	0	0	109.6	F18 A19 C24 K25 T26	F18-Y22 HydrophobicContact CE1-CD2 4.43Å; F18-Y22 HydrophobicContact CE1-CG 4.45Å; F18-Y22 HydrophobicContact CZ-CD2 4.32Å; F18-Y22 WeakPolarHBondContact O-CB 3.44Å; F18-Y22 PolarHBondContact O-N 3.46Å; A19-Y22 PolarHBondContact O-N 2.76Å; Y22-C24 PolarHBondContact O-N 3.46Å; Y22-K25 CarbonylContact O-C 3.56Å; Y22-K25 WeakPolarHBondContact O-CA 3.27Å; Y22-K25 WeakPolarHBondContact O-CB 3.44Å; Y22-K25 PolarHBondContact O-N 3.07Å; Y22-T26 HydrophobicContact CE1-CG2 4.38Å; Y22-T26 PolarHBondContact O-N 3.32Å; Y22-T26 PolarHBondContact O-OG1 3.49Å
23	F	68.4	Low	64.7	Low	99 Å²	99	88.7 Å²	88.7	43%	0.434	48%	0.48	S	S	.	.	H	α-helix	trans	-62.1	-37.6	180	-77.6	-67.7	0	0	0	112.9	A19 K25 T26 L27	A19-F23 HydrophobicContact CB-CD2 4.39Å; A19-F23 WeakPolarHBondContact O-CB 3.03Å; A19-F23 WeakPolarHBondContact O-CD2 3.34Å; A19-F23 PolarHBondContact O-N 2.85Å; F23-K25 PolarHBondContact O-N 3.35Å; F23-T26 PolarHBondContact O-N 3.44Å; F23-L27 HydrophobicContact CB-CD1 4.14Å; F23-L27 HydrophobicContact CD1-CD1 4.02Å; F23-L27 WeakPolarHBondContact O-CA 3.43Å; F23-L27 WeakPolarHBondContact O-CB 3.45Å; F23-L27 PolarHBondContact O-N 3.5Å
24	C	63.8	Low	63.4	Low	100 Å²	100	88.5 Å²	88.5	68%	0.676	48%	0.484	S	S	*	.	H	α-helix	trans	-62.2	-28.2	171.8	-77.1	0	0	0	0	112.9	A20 Y22	A20-C24 WeakPolarHBondContact O-CB 3.49Å; A20-C24 PolarHBondContact O-N 3.11Å; A20-C24 PolarHBondContact O-SG 2.9Å; Y22-C24 PolarHBondContact O-N 3.46Å
25	K	61.1	Low	61.7	Low	162 Å²	162	89.5 Å²	89.5	70%	0.704	49%	0.488	S	S	*	.	H	α-helix	trans	-83.7	-40.5	177.1	-164.3	177.3	-179.7	-177.7	0	111.8	K21 Y22 F23 S28 S31	K21-K25 WeakPolarHBondContact O-CB 3.46Å; K21-K25 PolarHBondContact O-N 3.46Å; Y22-K25 CarbonylContact O-C 3.56Å; Y22-K25 WeakPolarHBondContact O-CA 3.27Å; Y22-K25 WeakPolarHBondContact O-CB 3.44Å; Y22-K25 PolarHBondContact O-N 3.07Å; F23-K25 PolarHBondContact O-N 3.35Å; K25-S28 PolarHBondContact O-OG 3.14Å; K25-S31 PolarHBondContact O-OG 3.25Å
26	T	54.2	Low	60.1	Low	44 Å²	44	89.3 Å²	89.3	27%	0.27	49%	0.492	S	S	.	.	H	α-helix	trans	-79.9	-32.8	179.4	17.8	0	0	0	0	114.3	Y22 F23 S28 S31	Y22-T26 HydrophobicContact CE1-CG2 4.38Å; Y22-T26 PolarHBondContact O-N 3.32Å; Y22-T26 PolarHBondContact O-OG1 3.49Å; F23-T26 PolarHBondContact O-N 3.44Å; T26-S28 VanDerWaalsContact C-N 3.3Å; T26-S31 WeakPolarHBondContact O-CB 3.2Å
27	L	53	Low	58.5	Low	111 Å²	111	88.1 Å²	88.1	58%	0.581	50%	0.497	S	S	*	.	S	Bend	trans	-88.9	8.3	173.9	-70	160.7	0	0	0	113	F23 I32	F23-L27 HydrophobicContact CB-CD1 4.14Å; F23-L27 HydrophobicContact CD1-CD1 4.02Å; F23-L27 WeakPolarHBondContact O-CA 3.43Å; F23-L27 WeakPolarHBondContact O-CB 3.45Å; F23-L27 PolarHBondContact O-N 3.5Å; L27-I32 HydrophobicContact CB-CD1 4.45Å; L27-I32 HydrophobicContact CD2-CD1 4.21Å; L27-I32 VanDerWaalsContact O-CD1 3.27Å; L27-I32 WeakPolarHBondContact O-CD1 3.42Å
28	S	51.8	Low	56.7	Low	29 Å²	29	89.1 Å²	89.1	20%	0.203	49%	0.491	C	S	.	.	S	Bend	trans	-61.5	142.1	171	60.6	0	0	0	0	109.8	K25 T26 S30 S31 I32	K25-S28 PolarHBondContact O-OG 3.14Å; T26-S28 VanDerWaalsContact C-N 3.3Å; S28-S30 PolarHBondContact O-N 3.08Å; S28-S30 PolarHBondContact OG-OG 3.24Å; S28-S31 PolarHBondContact O-N 2.99Å; S28-S31 WeakPolarHBondContact OG-CB 3.33Å; S28-S31 PolarHBondContact OG-OG 2.91Å; S28-S31 VanDerWaalsContact OG-OG 3.07Å; S28-I32 PolarHBondContact O-N 2.89Å
29	P	47.3	Very low	54.7	Low	114 Å²	114	89.3 Å²	89.3	74%	0.74	50%	0.502	S	S	*	.	H	α-helix	trans	-52.6	-34.6	-177.1	-27.5	33.7	0	0	0	113.3	S33	P29-S33 WeakPolarHBondContact O-CB 3.39Å; P29-S33 PolarHBondContact O-N 2.6Å
30	S	45.1	Very low	53.1	Low	81 Å²	81	96.9 Å²	96.9	57%	0.566	54%	0.535	S	S	*	.	H	α-helix	trans	-69.6	-31.3	176.5	41.2	0	0	0	0	114.2	S28	S28-S30 PolarHBondContact O-N 3.08Å; S28-S30 PolarHBondContact OG-OG 3.24Å
31	S	50	Low	51.8	Low	35 Å²	35	102.7 Å²	102.7	25%	0.245	55%	0.55	C	S	.	.	H	α-helix	trans	-80.2	-38.6	174.2	-69.1	0	0	0	0	112	K25 T26 S28 S33 K34 I35	K25-S31 PolarHBondContact O-OG 3.25Å; T26-S31 WeakPolarHBondContact O-CB 3.2Å; S28-S31 PolarHBondContact O-N 2.99Å; S28-S31 WeakPolarHBondContact OG-CB 3.33Å; S28-S31 PolarHBondContact OG-OG 2.91Å; S28-S31 VanDerWaalsContact OG-OG 3.07Å; S31-S33 VanDerWaalsContact C-N 3.33Å; S31-S33 PolarHBondContact O-N 3.39Å; S31-K34 PolarHBondContact O-N 3.29Å; S31-K34 VanDerWaalsContact O-N 3.1Å; S31-I35 WeakPolarHBondContact O-CG1 3.31Å; S31-I35 PolarHBondContact O-N 2.53Å; S31-I35 VanDerWaalsContact O-N 3.12Å
32	I	50.4	Low	50.4	Low	58 Å²	58	103.5 Å²	103.5	30%	0.297	56%	0.556	S	S	.	*	H	α-helix	trans	-61.9	-43.2	175.8	-65.4	173.3	0	0	0	110.4	L27 S28 K34 I35 S36 V54	L27-I32 HydrophobicContact CB-CD1 4.45Å; L27-I32 HydrophobicContact CD2-CD1 4.21Å; L27-I32 VanDerWaalsContact O-CD1 3.27Å; L27-I32 WeakPolarHBondContact O-CD1 3.42Å; S28-I32 PolarHBondContact O-N 2.89Å; I32-K34 PolarHBondContact O-N 2.96Å; I32-I35 PolarHBondContact O-N 3.27Å; I32-I35 VanDerWaalsContact O-N 3.12Å; I32-S36 PolarHBondContact O-N 3.3Å; I32-S36 PolarHBondContact O-OG 3.37Å; I32-S36 VanDerWaalsContact O-OG 3.06Å; I32-V54 HydrophobicContact CG2-CG1 4.28Å
33	S	45.9	Very low	49.4	Very low	33 Å²	33	101.4 Å²	101.4	23%	0.231	55%	0.552	C	S	.	*	H	α-helix	trans	-55	-32.8	172.9	173.8	0	0	0	0	113.8	P29 S31	P29-S33 WeakPolarHBondContact O-CB 3.39Å; P29-S33 PolarHBondContact O-N 2.6Å; S31-S33 VanDerWaalsContact C-N 3.33Å; S31-S33 PolarHBondContact O-N 3.39Å
34	K	48.7	Very low	48.3	Very low	181 Å²	181	101.6 Å²	101.6	79%	0.787	56%	0.558	S	S	*	*	H	α-helix	trans	-82.6	-29.4	178.5	-76.3	-179.1	177.1	-179.3	0	112.9	S31 I32	S31-K34 PolarHBondContact O-N 3.29Å; S31-K34 VanDerWaalsContact O-N 3.1Å; I32-K34 PolarHBondContact O-N 2.96Å
35	I	46.2	Very low	47.6	Very low	130 Å²	130	101.4 Å²	101.4	67%	0.667	55%	0.546	S	S	*	.	H	α-helix	trans	-82.3	-31.5	-177.5	-66.3	165.5	0	0	0	111.3	S31 I32 G37	S31-I35 WeakPolarHBondContact O-CG1 3.31Å; S31-I35 PolarHBondContact O-N 2.53Å; S31-I35 VanDerWaalsContact O-N 3.12Å; I32-I35 PolarHBondContact O-N 3.27Å; I32-I35 VanDerWaalsContact O-N 3.12Å; I35-G37 VanDerWaalsContact C-N 3.32Å; I35-G37 PolarHBondContact O-N 2.98Å
36	S	48.4	Very low	46.9	Very low	63 Å²	63	97.1 Å²	97.1	44%	0.441	55%	0.548	S	S	.	.	S	Bend	trans	-80.2	-4.8	180	57	0	0	0	0	115	I32 L38	I32-S36 PolarHBondContact O-N 3.3Å; I32-S36 PolarHBondContact O-OG 3.37Å; I32-S36 VanDerWaalsContact O-OG 3.06Å; S36-L38 PolarHBondContact O-N 2.79Å; S36-L38 VanDerWaalsContact O-N 3.13Å
37	G	41.3	Very low	46.5	Very low	66 Å²	66	103.4 Å²	103.4	68%	0.68	57%	0.571	S	S	*	*			trans	63.3	18.7	170.6	0	0	0	0	0	116.4	I35	I35-G37 VanDerWaalsContact C-N 3.32Å; I35-G37 PolarHBondContact O-N 2.98Å
38	L	39.6	Very low	46.4	Very low	99 Å²	99	99.6 Å²	99.6	52%	0.518	55%	0.551	S	S	.	*			trans	-102.3	121	179.8	-72.5	165.3	0	0	0	110.9	S36	S36-L38 PolarHBondContact O-N 2.79Å; S36-L38 VanDerWaalsContact O-N 3.13Å
39	P	39	Very low	46.2	Very low	107 Å²	107	107.4 Å²	107.4	70%	0.695	58%	0.584	S	S	*	*			trans	-66.3	155.6	178.7	16.5	-17.4	0	0	0	113	K41	P39-K41 PolarHBondContact O-N 3.44Å
40	E	41.4	Very low	46.3	Very low	175 Å²	175	110.7 Å²	110.7	82%	0.818	59%	0.59	S	S	*	*	S	Bend	trans	-65.5	6.1	-179.5	-87.6	178.2	155.7	0	0	115.7
41	K	45.1	Very low	46.9	Very low	178 Å²	178	109.6 Å²	109.6	77%	0.774	58%	0.578	S	S	*	*	S	Bend	trans	-130.1	126.8	177.7	-79.7	-175.8	174.4	-178.2	0	110.4	P39	P39-K41 PolarHBondContact O-N 3.44Å
42	E	46.3	Very low	47.3	Very low	187 Å²	187	110.5 Å²	110.5	87%	0.874	58%	0.584	S	S	*	*			trans	69.4	95.8	171.4	-65.2	174.3	176.4	0	0	115.4	D44	E42-D44 PolarHBondContact O-N 3.26Å
43	I	50.2	Low	47.6	Very low	78 Å²	78	118.1 Å²	118.1	40%	0.4	61%	0.609	S	S	.	*			trans	-65.5	114.2	148.2	-61.4	173.6	0	0	0	105.1	F45 L48 I59	I43-F45 HydrophobicContact CB-CZ 4.47Å; I43-F45 HydrophobicContact CG2-CE1 4.5Å; I43-F45 WeakPolarHBondContact O-CD2 3.48Å; I43-F45 WeakPolarHBondContact O-CE2 3.23Å; I43-F45 PolarHBondContact O-N 3.37Å; I43-L48 HydrophobicContact CG2-CD1 4.32Å; I43-I59 HydrophobicContact CD1-CD1 3.92Å; I43-I59 HydrophobicContact CD1-CG1 3.71Å
44	D	44.4	Very low	48.5	Very low	103 Å²	103	120.7 Å²	120.7	55%	0.551	62%	0.623	S	S	*	*			trans	-69.5	98.5	177.9	-174.2	3.5	0	0	0	109.3	E42 G46 K47	E42-D44 PolarHBondContact O-N 3.26Å; D44-G46 PolarHBondContact O-N 3.08Å; D44-G46 VanDerWaalsContact O-N 3.09Å; D44-G46 PolarHBondContact OD1-N 2.84Å; D44-K47 PolarHBondContact O-N 2.91Å
45	F	50	Low	49.3	Very low	96 Å²	96	115.7 Å²	115.7	42%	0.421	60%	0.602	S	S	.	*	G	3₁₀ helix	trans	-65.2	-11.1	-174.5	-66.4	-76.9	0	0	0	113.7	I43 L48 A86	I43-F45 HydrophobicContact CB-CZ 4.47Å; I43-F45 HydrophobicContact CG2-CE1 4.5Å; I43-F45 WeakPolarHBondContact O-CD2 3.48Å; I43-F45 WeakPolarHBondContact O-CE2 3.23Å; I43-F45 PolarHBondContact O-N 3.37Å; F45-L48 VanDerWaalsContact CA-CD1 3.44Å; F45-L48 HydrophobicContact CB-CD1 4.34Å; F45-L48 HydrophobicContact CD1-CD1 4.11Å; F45-A86 HydrophobicContact CB-CB 4.5Å; F45-A86 HydrophobicContact CD1-CB 3.66Å; F45-A86 HydrophobicContact CE1-CB 4.22Å; F45-A86 HydrophobicContact CG-CB 4.28Å
46	G	46.1	Very low	50.2	Low	72 Å²	72	111.3 Å²	111.3	74%	0.742	58%	0.579	S	S	*	*	G	3₁₀ helix	trans	-79.5	-9	179.6	0	0	0	0	0	115.5	D44	D44-G46 PolarHBondContact O-N 3.08Å; D44-G46 VanDerWaalsContact O-N 3.09Å; D44-G46 PolarHBondContact OD1-N 2.84Å
47	K	45.8	Very low	51	Low	176 Å²	176	112 Å²	112	77%	0.765	58%	0.584	S	S	*	*	G	3₁₀ helix	trans	-116.9	15.3	-175.9	-73.7	-176.4	179.2	171.6	0	115.1	D44 E49	D44-K47 PolarHBondContact O-N 2.91Å; K47-E49 PolarHBondContact O-N 2.82Å
48	L	50.3	Low	52.4	Low	31 Å²	31	113 Å²	113	16%	0.162	57%	0.567	C	S	.	*			trans	-82.6	98.3	-178.2	-83.7	102.7	0	0	0	111.8	I43 F45 L51 L87 H89	I43-L48 HydrophobicContact CG2-CD1 4.32Å; F45-L48 VanDerWaalsContact CA-CD1 3.44Å; F45-L48 HydrophobicContact CB-CD1 4.34Å; F45-L48 HydrophobicContact CD1-CD1 4.11Å; L48-L51 HydrophobicContact CD2-CD1 3.73Å; L48-L51 HydrophobicContact CD2-CD2 4.02Å; L48-L51 HydrophobicContact CD2-CG 3.7Å; L48-L87 HydrophobicContact CD2-CD2 4.43Å; L48-H89 PolarHBondContact O-CE1 2.9Å; L48-H89 VanDerWaalsContact O-CE1 3.25Å; L48-H89 PolarHBondContact O-NE2 2.75Å
49	E	49	Very low	53.7	Low	192 Å²	192	108.7 Å²	108.7	90%	0.897	55%	0.545	S	S	*	.	S	Bend	trans	-104.5	-27.8	160.8	-76.9	-173.9	159.9	0	0	112.4	K47	K47-E49 PolarHBondContact O-N 2.82Å
50	E	49.6	Very low	55.1	Low	184 Å²	184	105.4 Å²	105.4	86%	0.86	52%	0.52	S	S	*	.	S	Bend	trans	-148.2	125.9	170.9	-74.3	-172.2	149.1	0	0	112
51	L	56.6	Low	56.6	Low	58 Å²	58	103.5 Å²	103.5	30%	0.304	51%	0.51	S	S	.	.			trans	-78.2	133.5	173.8	-82.3	124.7	0	0	0	112	L48 E55 I59 L87	L48-L51 HydrophobicContact CD2-CD1 3.73Å; L48-L51 HydrophobicContact CD2-CD2 4.02Å; L48-L51 HydrophobicContact CD2-CG 3.7Å; L51-E55 HydrophobicContact CD2-CB 4.14Å; L51-I59 HydrophobicContact CD2-CD1 3.71Å; L51-L87 HydrophobicContact CD1-CD2 3.29Å; L51-L87 HydrophobicContact CD2-CD2 4.36Å; L51-L87 HydrophobicContact CG-CD2 4.43Å
52	S	57.9	Low	57.9	Low	54 Å²	54	97.9 Å²	97.9	38%	0.378	49%	0.488	S	S	.	.			trans	-65.6	140.8	162	162.6	0	0	0	0	110.4	V54 E55 E56	S52-V54 PolarHBondContact O-N 3.07Å; S52-V54 PolarHBondContact OG-N 3.13Å; S52-E55 WeakPolarHBondContact CB-OE2 3.46Å; S52-E55 PolarHBondContact N-OE2 3.21Å; S52-E55 VanDerWaalsContact N-OE2 3.1Å; S52-E55 PolarHBondContact O-N 3.26Å; S52-E56 PolarHBondContact O-N 2.81Å
53	R	58.7	Low	59.1	Low	217 Å²	217	89 Å²	89	82%	0.819	45%	0.447	S	S	*	.	H	α-helix	trans	-52.7	-26.8	174	-71.9	-175.4	179.2	179.4	0.3	113.2	S57	R53-S57 WeakPolarHBondContact O-CB 3.4Å; R53-S57 PolarHBondContact O-N 3.27Å; R53-S57 PolarHBondContact O-OG 3.24Å
54	V	63.4	Low	60.3	Low	87 Å²	87	89 Å²	89	53%	0.527	45%	0.447	S	S	.	.	H	α-helix	trans	-76.5	-39.3	178.5	-179	0	0	0	0	111.4	I32 S52 S57 R58	I32-V54 HydrophobicContact CG2-CG1 4.28Å; S52-V54 PolarHBondContact O-N 3.07Å; S52-V54 PolarHBondContact OG-N 3.13Å; V54-S57 PolarHBondContact O-N 3.3Å; V54-R58 PolarHBondContact O-N 3.1Å
55	E	64.8	Low	61.7	Low	77 Å²	77	88.8 Å²	88.8	36%	0.36	44%	0.441	S	S	.	.	H	α-helix	trans	-69.1	-43.4	178	-66.3	168.3	160.4	0	0	110.6	L51 S52 S57 R58 I59	L51-E55 HydrophobicContact CD2-CB 4.14Å; S52-E55 WeakPolarHBondContact CB-OE2 3.46Å; S52-E55 PolarHBondContact N-OE2 3.21Å; S52-E55 VanDerWaalsContact N-OE2 3.1Å; S52-E55 PolarHBondContact O-N 3.26Å; E55-S57 VanDerWaalsContact C-N 3.31Å; E55-S57 PolarHBondContact O-N 3.4Å; E55-R58 PolarHBondContact O-N 3.39Å; E55-I59 VanDerWaalsContact O-CG1 3.25Å; E55-I59 WeakPolarHBondContact O-CG1 3.34Å; E55-I59 PolarHBondContact O-N 3.2Å
56	E	65.5	Low	62.8	Low	38 Å²	38	85.5 Å²	85.5	18%	0.178	43%	0.427	C	S	.	.	H	α-helix	trans	-57.7	-44.9	175	-162.6	-169	177.9	0	0	111.5	S52 R58 I59 M60 K212 Y213	S52-E56 PolarHBondContact O-N 2.81Å; E56-R58 PolarHBondContact O-N 3.36Å; E56-I59 PolarHBondContact O-N 3Å; E56-M60 WeakPolarHBondContact O-CG 3.47Å; E56-M60 PolarHBondContact O-N 3.27Å; E56-K212 IonicContact OE1-NZ 3.91Å; E56-K212 PolarHBondContact OE1-NZ 2.97Å; E56-K212 IonicContact OE2-NZ 3.08Å; E56-K212 PolarHBondContact OE2-NZ 3.17Å; E56-Y213 VanDerWaalsContact CG-OH 3.31Å; E56-Y213 WeakPolarHBondContact CG-OH 3.35Å
57	S	66.8	Low	64	Low	77 Å²	77	83.5 Å²	83.5	54%	0.538	40%	0.399	S	S	.	.	H	α-helix	trans	-65.5	-37.4	178.3	-60.1	0	0	0	0	112.5	R53 V54 E55 F61	R53-S57 WeakPolarHBondContact O-CB 3.4Å; R53-S57 PolarHBondContact O-N 3.27Å; R53-S57 PolarHBondContact O-OG 3.24Å; V54-S57 PolarHBondContact O-N 3.3Å; E55-S57 VanDerWaalsContact C-N 3.31Å; E55-S57 PolarHBondContact O-N 3.4Å; S57-F61 WeakPolarHBondContact O-CB 3.45Å; S57-F61 PolarHBondContact O-N 3.35Å
58	R	69.1	Low	65.2	Low	86 Å²	86	83 Å²	83	33%	0.325	40%	0.4	S	S	.	.	H	α-helix	trans	-67.4	-43.9	176.4	-172.7	174	-175.8	162.4	2.8	111.4	V54 E55 E56 M60 F61 D62	V54-R58 PolarHBondContact O-N 3.1Å; E55-R58 PolarHBondContact O-N 3.39Å; E56-R58 PolarHBondContact O-N 3.36Å; R58-M60 VanDerWaalsContact C-N 3.32Å; R58-M60 PolarHBondContact O-N 3.09Å; R58-F61 PolarHBondContact O-N 2.85Å; R58-D62 PolarHBondContact O-N 2.8Å
59	I	67	Low	66.2	Low	10 Å²	10	87.5 Å²	87.5	5%	0.051	42%	0.42	C	S	.	.	H	α-helix	trans	-59.8	-43.9	177	-67.2	165	0	0	0	110.8	I43 L51 E55 E56 L63 R83 Y213	I43-I59 HydrophobicContact CD1-CD1 3.92Å; I43-I59 HydrophobicContact CD1-CG1 3.71Å; L51-I59 HydrophobicContact CD2-CD1 3.71Å; E55-I59 VanDerWaalsContact O-CG1 3.25Å; E55-I59 WeakPolarHBondContact O-CG1 3.34Å; E55-I59 PolarHBondContact O-N 3.2Å; E56-I59 PolarHBondContact O-N 3Å; I59-L63 HydrophobicContact CG2-CD1 4.49Å; I59-L63 WeakPolarHBondContact O-CG 3Å; I59-L63 PolarHBondContact O-N 2.86Å; I59-L63 VanDerWaalsContact O-N 3.11Å; I59-R83 PolarHBondContact O-NH1 3.49Å; I59-R83 VanDerWaalsContact O-NH1 3.12Å; I59-Y213 HydrophobicContact CG2-CE1 4.09Å
60	M	68.9	Low	67	Low	38 Å²	38	80.1 Å²	80.1	19%	0.187	39%	0.386	C	S	.	.	H	α-helix	trans	-64.3	-42.5	176.3	-73.4	-163.3	177.5	0	0	112.3	E56 R58 L63 I64 K212 Y213 I216	E56-M60 WeakPolarHBondContact O-CG 3.47Å; E56-M60 PolarHBondContact O-N 3.27Å; R58-M60 VanDerWaalsContact C-N 3.32Å; R58-M60 PolarHBondContact O-N 3.09Å; M60-L63 PolarHBondContact O-N 3.11Å; M60-I64 VanDerWaalsContact O-CG1 3.3Å; M60-I64 WeakPolarHBondContact O-CG1 3.48Å; M60-I64 PolarHBondContact O-N 2.95Å; M60-K212 HydrophobicContact CE-CD 3.82Å; M60-K212 HydrophobicContact CE-CG 3.95Å; M60-Y213 HydrophobicContact CE-CD1 4.46Å; M60-Y213 HydrophobicContact CE-CD2 4.12Å; M60-Y213 HydrophobicContact CE-CE1 4.07Å; M60-Y213 HydrophobicContact CE-CE2 3.68Å; M60-Y213 HydrophobicContact CE-CG 4.49Å; M60-Y213 HydrophobicContact CG-CE1 4.06Å; M60-I216 HydrophobicContact CB-CD1 4.45Å; M60-I216 HydrophobicContact CG-CD1 4.14Å; M60-I216 HydrophobicContact SD-CD1 4.33Å
61	F	73.6	Confident	67.8	Low	135 Å²	135	79.6 Å²	79.6	59%	0.592	39%	0.388	S	S	*	.	H	α-helix	trans	-61.8	-45	177.6	-177.7	-98.1	0	0	0	112.1	S57 R58 L63 I64 K65	S57-F61 WeakPolarHBondContact O-CB 3.45Å; S57-F61 PolarHBondContact O-N 3.35Å; R58-F61 PolarHBondContact O-N 2.85Å; F61-L63 VanDerWaalsContact C-N 3.33Å; F61-L63 PolarHBondContact O-N 3.24Å; F61-I64 PolarHBondContact O-N 3.44Å; F61-K65 WeakPolarHBondContact O-CB 3.47Å; F61-K65 PolarHBondContact O-N 3.24Å
62	D	72.4	Confident	68.7	Low	59 Å²	59	80.6 Å²	80.6	32%	0.316	39%	0.393	S	S	.	.	H	α-helix	trans	-63.9	-38	178.3	-71.9	-18	0	0	0	112	R58 K65 D66	R58-D62 PolarHBondContact O-N 2.8Å; D62-K65 PolarHBondContact O-N 2.73Å; D62-D66 WeakPolarHBondContact O-CB 3.32Å; D62-D66 PolarHBondContact O-N 3.01Å
63	L	71.5	Confident	69.8	Low	1 Å²	1	78.5 Å²	78.5	1%	0.005	38%	0.378	C	S	.	.	H	α-helix	trans	-63.3	-43.4	174.3	-78.4	176.5	0	0	0	112.2	I59 M60 F61 K65 D66 M67 I80 Y213	I59-L63 HydrophobicContact CG2-CD1 4.49Å; I59-L63 WeakPolarHBondContact O-CG 3Å; I59-L63 PolarHBondContact O-N 2.86Å; I59-L63 VanDerWaalsContact O-N 3.11Å; M60-L63 PolarHBondContact O-N 3.11Å; F61-L63 VanDerWaalsContact C-N 3.33Å; F61-L63 PolarHBondContact O-N 3.24Å; L63-K65 VanDerWaalsContact C-N 3.35Å; L63-D66 PolarHBondContact O-N 3.33Å; L63-M67 WeakPolarHBondContact O-CG 3.1Å; L63-M67 PolarHBondContact O-N 3.39Å; L63-I80 HydrophobicContact CD1-CG1 4.27Å; L63-I80 HydrophobicContact CD2-CG1 3.65Å; L63-I80 HydrophobicContact CG-CG1 4.47Å; L63-Y213 HydrophobicContact CD1-CD1 4.12Å; L63-Y213 HydrophobicContact CD1-CE1 4.19Å
64	I	74.3	Confident	71.1	Confident	79 Å²	79	69.6 Å²	69.6	41%	0.405	35%	0.345	S	S	.	.	H	α-helix	trans	-67.3	-38.5	178.8	-67.5	165.9	0	0	0	110.7	M60 F61 M67 Q68	M60-I64 VanDerWaalsContact O-CG1 3.3Å; M60-I64 WeakPolarHBondContact O-CG1 3.48Å; M60-I64 PolarHBondContact O-N 2.95Å; F61-I64 PolarHBondContact O-N 3.44Å; I64-M67 WeakPolarHBondContact O-CB 3.02Å; I64-M67 PolarHBondContact O-N 2.97Å; I64-Q68 PolarHBondContact O-N 3.36Å
65	K	75.3	Confident	72.1	Confident	97 Å²	97	69.3 Å²	69.3	42%	0.422	34%	0.337	S	S	.	.	H	α-helix	trans	-63.8	-46.4	173.8	-174.7	-178.2	171.8	-173.5	0	111.2	F61 D62 L63 M67 Q68 E69	F61-K65 WeakPolarHBondContact O-CB 3.47Å; F61-K65 PolarHBondContact O-N 3.24Å; D62-K65 PolarHBondContact O-N 2.73Å; L63-K65 VanDerWaalsContact C-N 3.35Å; K65-M67 PolarHBondContact O-N 3.37Å; K65-Q68 PolarHBondContact O-N 3.19Å; K65-E69 WeakPolarHBondContact CE-OE1 3.16Å; K65-E69 HydrophobicContact CG-CG 4.5Å; K65-E69 IonicContact NZ-OE1 3.88Å; K65-E69 PolarHBondContact O-N 2.97Å
66	D	71.8	Confident	73.1	Confident	27 Å²	27	65.7 Å²	65.7	14%	0.144	32%	0.32	C	S	.	.	H	α-helix	trans	-59	-35.6	175.3	-93.4	-32.9	0	0	0	112.3	D62 L63 Q68 N70 K79	D62-D66 WeakPolarHBondContact O-CB 3.32Å; D62-D66 PolarHBondContact O-N 3.01Å; L63-D66 PolarHBondContact O-N 3.33Å; D66-Q68 VanDerWaalsContact C-N 3.35Å; D66-N70 WeakPolarHBondContact O-CB 3.47Å; D66-N70 PolarHBondContact O-N 2.85Å; D66-N70 VanDerWaalsContact O-N 3.11Å; D66-N70 PolarHBondContact O-ND2 3.35Å; D66-K79 IonicContact OD1-NZ 3.11Å; D66-K79 PolarHBondContact OD1-NZ 2.83Å; D66-K79 WeakPolarHBondContact OD2-CD 3.24Å; D66-K79 IonicContact OD2-NZ 3.96Å; D66-K79 PolarHBondContact OD2-NZ 3.3Å
67	M	71.6	Confident	74.1	Confident	30 Å²	30	63.9 Å²	63.9	15%	0.148	31%	0.312	C	S	.	.	H	α-helix	trans	-65	-34.5	173.5	-77.5	172.9	59.8	0	0	113.2	L63 I64 K65 V76 I216 L219 N220	L63-M67 WeakPolarHBondContact O-CG 3.1Å; L63-M67 PolarHBondContact O-N 3.39Å; I64-M67 WeakPolarHBondContact O-CB 3.02Å; I64-M67 PolarHBondContact O-N 2.97Å; K65-M67 PolarHBondContact O-N 3.37Å; M67-V76 HydrophobicContact CB-CG1 4.37Å; M67-V76 HydrophobicContact CG-CG1 3.44Å; M67-V76 VanDerWaalsContact CG-CG1 3.44Å; M67-I216 HydrophobicContact CE-CG2 4.49Å; M67-I216 HydrophobicContact SD-CG2 3.3Å; M67-I216 WeakPolarHBondContact SD-CG2 3.41Å; M67-L219 HydrophobicContact CE-CB 4.49Å; M67-L219 HydrophobicContact CE-CD2 4.31Å; M67-L219 HydrophobicContact CE-CG 4.39Å; M67-N220 HydrophobicContact CE-CB 3.71Å; M67-N220 HydrophobicContact CG-CB 4.38Å; M67-N220 HydrophobicContact SD-CB 4.27Å
68	Q	70.8	Confident	75.2	Confident	167 Å²	167	60.9 Å²	60.9	78%	0.78	29%	0.289	S	S	*	.	H	α-helix	trans	-78.8	-34.4	179.3	-72.4	-174.7	-17.6	0	0	112.3	I64 K65 D66	I64-Q68 PolarHBondContact O-N 3.36Å; K65-Q68 PolarHBondContact O-N 3.19Å; D66-Q68 VanDerWaalsContact C-N 3.35Å
69	E	71.8	Confident	76	Confident	125 Å²	125	59.4 Å²	59.4	58%	0.584	29%	0.285	S	S	*	.	H	α-helix	trans	-86.9	-25.8	-174.6	-68.7	179.5	173.3	0	0	113.6	K65	K65-E69 WeakPolarHBondContact CE-OE1 3.16Å; K65-E69 HydrophobicContact CG-CG 4.5Å; K65-E69 IonicContact NZ-OE1 3.88Å; K65-E69 PolarHBondContact O-N 2.97Å
70	N	66.1	Low	76.8	Confident	36 Å²	36	59 Å²	59	19%	0.193	28%	0.283	C	S	.	.			trans	-104.6	125.1	-177.5	-63.3	-83	0	0	0	112.1	D66 K75 V76	D66-N70 WeakPolarHBondContact O-CB 3.47Å; D66-N70 PolarHBondContact O-N 2.85Å; D66-N70 VanDerWaalsContact O-N 3.11Å; D66-N70 PolarHBondContact O-ND2 3.35Å; N70-K75 PolarHBondContact OD1-NZ 2.8Å; N70-V76 HydrophobicContact CB-CG2 3.8Å
71	I	65.3	Low	77.7	Confident	173 Å²	173	57.3 Å²	57.3	89%	0.887	28%	0.275	S	S	*	.			trans	-77.4	-25.9	174.9	-60	169.7	0	0	0	111.6	M73	I71-M73 PolarHBondContact O-N 3.36Å
72	N	77.1	Confident	78.4	Confident	79 Å²	79	54 Å²	54	42%	0.422	26%	0.26	S	S	.	.			trans	-80.9	110.6	-178	-173	-18.7	0	0	0	111.6	E74 K75 V76	N72-E74 VanDerWaalsContact C-N 3.35Å; N72-E74 PolarHBondContact O-N 3.48Å; N72-E74 WeakPolarHBondContact OD1-CB 3.14Å; N72-E74 PolarHBondContact OD1-N 2.92Å; N72-K75 HydrophobicContact CB-CB 4.33Å; N72-K75 PolarHBondContact O-N 3.31Å; N72-V76 PolarHBondContact O-N 2.71Å
73	M	81	Confident	78.8	Confident	10 Å²	10	53.6 Å²	53.6	5%	0.049	25%	0.254	C	S	.	.	H	α-helix	trans	-55.3	-45.1	178	176.3	-84.7	-74.8	0	0	112.6	I71 K75 V76 V77 L221 F224	I71-M73 PolarHBondContact O-N 3.36Å; M73-K75 VanDerWaalsContact C-N 3.29Å; M73-K75 PolarHBondContact O-N 2.67Å; M73-V76 PolarHBondContact O-N 2.88Å; M73-V76 VanDerWaalsContact O-N 3.13Å; M73-V77 HydrophobicContact CG-CG2 4.07Å; M73-V77 WeakPolarHBondContact O-CG2 3.46Å; M73-V77 PolarHBondContact O-N 3Å; M73-V77 HydrophobicContact SD-CB 4.34Å; M73-V77 HydrophobicContact SD-CG2 3.73Å; M73-L221 HydrophobicContact CE-CD2 4.24Å; M73-L221 HydrophobicContact CG-CD2 4Å; M73-L221 HydrophobicContact SD-CD2 3.6Å; M73-L221 VanDerWaalsContact SD-CD2 3.6Å; M73-F224 HydrophobicContact CB-CB 4.25Å; M73-F224 HydrophobicContact CB-CD1 4.37Å; M73-F224 HydrophobicContact CB-CD2 3.63Å; M73-F224 HydrophobicContact CB-CE2 4.03Å; M73-F224 HydrophobicContact CB-CG 3.81Å; M73-F224 HydrophobicContact CE-CD1 3.98Å; M73-F224 HydrophobicContact CE-CE1 3.83Å; M73-F224 HydrophobicContact CE-CZ 4.3Å; M73-F224 HydrophobicContact CG-CB 4.05Å; M73-F224 HydrophobicContact CG-CD1 4.13Å; M73-F224 HydrophobicContact CG-CD2 4.21Å; M73-F224 HydrophobicContact CG-CG 3.85Å
74	E	84.6	Confident	79.4	Confident	30 Å²	30	53.6 Å²	53.6	14%	0.14	25%	0.254	C	S	.	.	H	α-helix	trans	-62.7	-39.9	-173.6	-72	157.2	-162	0	0	111.6	N72 V76 V77 F78 R110	N72-E74 VanDerWaalsContact C-N 3.35Å; N72-E74 PolarHBondContact O-N 3.48Å; N72-E74 WeakPolarHBondContact OD1-CB 3.14Å; N72-E74 PolarHBondContact OD1-N 2.92Å; E74-V76 VanDerWaalsContact C-N 3.35Å; E74-V76 PolarHBondContact O-N 3.32Å; E74-V77 PolarHBondContact O-N 2.92Å; E74-F78 WeakPolarHBondContact O-CB 3.22Å; E74-F78 PolarHBondContact O-N 3.25Å; E74-R110 HydrophobicContact CG-CG 4.45Å; E74-R110 IonicContact OE1-CZ 3.59Å; E74-R110 IonicContact OE1-NE 2.87Å; E74-R110 PolarHBondContact OE1-NE 3.41Å; E74-R110 IonicContact OE1-NH2 2.61Å; E74-R110 PolarHBondContact OE1-NH2 2.93Å; E74-R110 IonicContact OE2-CZ 2.88Å; E74-R110 IonicContact OE2-NE 3Å; E74-R110 IonicContact OE2-NH2 3.64Å; E74-R110 PolarHBondContact OE2-NH2 2.93Å; E74-R110 VanDerWaalsContact OE2-NH2 3.07Å
75	K	85.4	Confident	79.9	Confident	81 Å²	81	50.1 Å²	50.1	35%	0.352	24%	0.237	S	C	.	.	H	α-helix	trans	-64.1	-41	178.2	-174.9	-179.8	-179.8	-166.3	0	111.8	N70 N72 M73 K79 L120	N70-K75 PolarHBondContact OD1-NZ 2.8Å; N72-K75 HydrophobicContact CB-CB 4.33Å; N72-K75 PolarHBondContact O-N 3.31Å; M73-K75 VanDerWaalsContact C-N 3.29Å; M73-K75 PolarHBondContact O-N 2.67Å; K75-K79 WeakPolarHBondContact O-CG 3.18Å; K75-K79 PolarHBondContact O-N 3.41Å; K75-K79 VanDerWaalsContact O-N 3.16Å; K75-L120 HydrophobicContact CB-CD2 3.9Å; K75-L120 HydrophobicContact CG-CD2 4.06Å
76	V	84.6	Confident	80.2	Confident	1 Å²	1	46 Å²	46	1%	0.006	22%	0.222	C	C	.	.	H	α-helix	trans	-70.3	-48.3	179.4	179	0	0	0	0	110.2	M67 N70 N72 M73 E74 F78 K79 I80	M67-V76 HydrophobicContact CB-CG1 4.37Å; M67-V76 HydrophobicContact CG-CG1 3.44Å; M67-V76 VanDerWaalsContact CG-CG1 3.44Å; N70-V76 HydrophobicContact CB-CG2 3.8Å; N72-V76 PolarHBondContact O-N 2.71Å; M73-V76 PolarHBondContact O-N 2.88Å; M73-V76 VanDerWaalsContact O-N 3.13Å; E74-V76 VanDerWaalsContact C-N 3.35Å; E74-V76 PolarHBondContact O-N 3.32Å; V76-F78 VanDerWaalsContact C-N 3.34Å; V76-F78 PolarHBondContact O-N 2.88Å; V76-K79 PolarHBondContact O-N 2.88Å; V76-I80 HydrophobicContact CG1-CD1 4.02Å; V76-I80 WeakPolarHBondContact O-CG1 3.4Å; V76-I80 PolarHBondContact O-N 2.91Å
77	V	87.9	Confident	80.6	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-64.7	-40.1	179.8	179	0	0	0	0	110.9	M73 E74 K79 I80 L81 L95 L111 L221	M73-V77 HydrophobicContact CG-CG2 4.07Å; M73-V77 WeakPolarHBondContact O-CG2 3.46Å; M73-V77 PolarHBondContact O-N 3Å; M73-V77 HydrophobicContact SD-CB 4.34Å; M73-V77 HydrophobicContact SD-CG2 3.73Å; E74-V77 PolarHBondContact O-N 2.92Å; V77-K79 PolarHBondContact O-N 3.13Å; V77-I80 PolarHBondContact O-N 2.77Å; V77-I80 VanDerWaalsContact O-N 3.14Å; V77-L81 HydrophobicContact CG1-CD1 4.04Å; V77-L81 HydrophobicContact CG1-CG 4.14Å; V77-L81 WeakPolarHBondContact O-CG 3.5Å; V77-L81 PolarHBondContact O-N 2.92Å; V77-L95 HydrophobicContact CG1-CD2 3.92Å; V77-L111 HydrophobicContact CB-CD1 4.29Å; V77-L111 HydrophobicContact CG1-CD1 4.07Å; V77-L221 HydrophobicContact CG2-CD2 3.95Å; V77-L221 HydrophobicContact CG2-CG 4.01Å
78	F	89.5	Confident	81.2	Confident	14 Å²	14	44 Å²	44	6%	0.061	21%	0.212	C	C	.	.	H	α-helix	trans	-57	-48	172.8	172.9	-99.6	0	0	0	112.5	E74 V76 I80 L81 K82 L111 V114 S118 V119 L120 C123	E74-F78 WeakPolarHBondContact O-CB 3.22Å; E74-F78 PolarHBondContact O-N 3.25Å; V76-F78 VanDerWaalsContact C-N 3.34Å; V76-F78 PolarHBondContact O-N 2.88Å; F78-I80 VanDerWaalsContact C-N 3.28Å; F78-I80 PolarHBondContact O-N 3.02Å; F78-L81 PolarHBondContact O-N 3.39Å; F78-K82 HydrophobicContact CE1-CD 4.26Å; F78-K82 HydrophobicContact CZ-CD 4.34Å; F78-K82 VanDerWaalsContact O-CB 3.3Å; F78-K82 WeakPolarHBondContact O-CB 3.39Å; F78-K82 PolarHBondContact O-N 2.83Å; F78-L111 HydrophobicContact CB-CD1 4.16Å; F78-V114 HydrophobicContact CD2-CG1 3.86Å; F78-V114 HydrophobicContact CD2-CG2 3.92Å; F78-V114 HydrophobicContact CE2-CB 4.49Å; F78-V114 HydrophobicContact CE2-CG1 3.73Å; F78-V114 HydrophobicContact CE2-CG2 4.16Å; F78-S118 WeakPolarHBondContact CE2-OG 3.14Å; F78-S118 WeakPolarHBondContact CZ-O 3.27Å; F78-V119 VanDerWaalsContact CZ-C 3.47Å; F78-L120 HydrophobicContact CB-CD1 3.51Å; F78-L120 HydrophobicContact CD1-CB 4.03Å; F78-L120 HydrophobicContact CD1-CD1 3.94Å; F78-L120 HydrophobicContact CD2-CD1 3.98Å; F78-L120 HydrophobicContact CE1-CB 4.06Å; F78-L120 HydrophobicContact CG-CB 4.38Å; F78-L120 HydrophobicContact CG-CD1 3.53Å; F78-L120 HydrophobicContact CZ-CB 4.43Å; F78-C123 HydrophobicContact CD2-CB 4.17Å; F78-C123 HydrophobicContact CE2-CB 3.86Å
79	K	84.9	Confident	81.9	Confident	56 Å²	56	38.6 Å²	38.6	24%	0.243	19%	0.186	C	C	.	.	H	α-helix	trans	-60.1	-39.1	175.5	-76.1	176.5	171.9	-169.9	0	111.8	D66 K75 V76 V77 R83	D66-K79 IonicContact OD1-NZ 3.11Å; D66-K79 PolarHBondContact OD1-NZ 2.83Å; D66-K79 WeakPolarHBondContact OD2-CD 3.24Å; D66-K79 IonicContact OD2-NZ 3.96Å; D66-K79 PolarHBondContact OD2-NZ 3.3Å; K75-K79 WeakPolarHBondContact O-CG 3.18Å; K75-K79 PolarHBondContact O-N 3.41Å; K75-K79 VanDerWaalsContact O-N 3.16Å; V76-K79 PolarHBondContact O-N 2.88Å; V77-K79 PolarHBondContact O-N 3.13Å; K79-R83 VanDerWaalsContact O-CG 3.29Å; K79-R83 WeakPolarHBondContact O-CG 3.41Å; K79-R83 PolarHBondContact O-N 3.37Å; K79-R83 VanDerWaalsContact O-N 3.14Å
80	I	85.1	Confident	82.7	Confident	2 Å²	2	33 Å²	33	1%	0.01	16%	0.161	C	C	.	.	H	α-helix	trans	-66.7	-47.8	176.9	-64.4	165.4	0	0	0	110.5	L63 V76 V77 F78 K82 R83 L84 I216 A217	L63-I80 HydrophobicContact CD1-CG1 4.27Å; L63-I80 HydrophobicContact CD2-CG1 3.65Å; L63-I80 HydrophobicContact CG-CG1 4.47Å; V76-I80 HydrophobicContact CG1-CD1 4.02Å; V76-I80 WeakPolarHBondContact O-CG1 3.4Å; V76-I80 PolarHBondContact O-N 2.91Å; V77-I80 PolarHBondContact O-N 2.77Å; V77-I80 VanDerWaalsContact O-N 3.14Å; F78-I80 VanDerWaalsContact C-N 3.28Å; F78-I80 PolarHBondContact O-N 3.02Å; I80-K82 VanDerWaalsContact C-N 3.34Å; I80-K82 PolarHBondContact O-N 3.39Å; I80-R83 PolarHBondContact O-N 3.08Å; I80-L84 WeakPolarHBondContact O-CB 3.13Å; I80-L84 PolarHBondContact O-N 3.24Å; I80-I216 HydrophobicContact CD1-CG2 4.24Å; I80-A217 HydrophobicContact CD1-CB 4.11Å; I80-A217 HydrophobicContact CG2-CB 4.02Å
81	L	88.4	Confident	83.8	Confident	2 Å²	2	34.2 Å²	34.2	1%	0.01	17%	0.168	C	C	.	.	H	α-helix	trans	-61.2	-42	178.7	-69.8	177.4	0	0	0	111.9	V77 F78 R83 L84 G85 C93 L95 L111 V114 I191	V77-L81 HydrophobicContact CG1-CD1 4.04Å; V77-L81 HydrophobicContact CG1-CG 4.14Å; V77-L81 WeakPolarHBondContact O-CG 3.5Å; V77-L81 PolarHBondContact O-N 2.92Å; F78-L81 PolarHBondContact O-N 3.39Å; L81-R83 PolarHBondContact O-N 3.1Å; L81-L84 PolarHBondContact O-N 2.72Å; L81-G85 PolarHBondContact O-N 2.91Å; L81-C93 HydrophobicContact CB-CB 4.26Å; L81-C93 HydrophobicContact CD2-CB 4.29Å; L81-L95 HydrophobicContact CD1-CB 4.19Å; L81-L111 HydrophobicContact CD1-CB 4.44Å; L81-L111 HydrophobicContact CD1-CD1 3.92Å; L81-V114 HydrophobicContact CB-CB 4.49Å; L81-V114 HydrophobicContact CB-CG1 4.08Å; L81-V114 HydrophobicContact CD1-CG2 4.39Å; L81-I191 HydrophobicContact CD2-CD1 4.24Å; L81-I191 HydrophobicContact CD2-CG1 4.39Å; L81-I191 HydrophobicContact CD2-CG2 3.54Å
82	K	86.4	Confident	85	Confident	64 Å²	64	29.4 Å²	29.4	28%	0.278	14%	0.139	S	C	.	.	H	α-helix	trans	-60.3	-44.5	176.2	-173.6	172.1	-172.6	169.5	0	112.1	F78 I80 A86 V114 T116 S118	F78-K82 HydrophobicContact CE1-CD 4.26Å; F78-K82 HydrophobicContact CZ-CD 4.34Å; F78-K82 VanDerWaalsContact O-CB 3.3Å; F78-K82 WeakPolarHBondContact O-CB 3.39Å; F78-K82 PolarHBondContact O-N 2.83Å; I80-K82 VanDerWaalsContact C-N 3.34Å; I80-K82 PolarHBondContact O-N 3.39Å; K82-A86 PolarHBondContact O-N 3.1Å; K82-V114 HydrophobicContact CB-CG1 4.25Å; K82-T116 VanDerWaalsContact CE-C 3.44Å; K82-T116 WeakPolarHBondContact CE-O 3.4Å; K82-T116 PolarHBondContact NZ-O 3.16Å; K82-S118 PolarHBondContact NZ-O 3.32Å
83	R	80.9	Confident	85.7	Confident	51 Å²	51	25.6 Å²	25.6	19%	0.192	12%	0.118	C	C	.	.	H	α-helix	trans	-69.4	-41.6	176.6	-70.5	-178.8	-167.6	-158	1.4	111.5	I59 K79 I80 L81 A86 L87	I59-R83 PolarHBondContact O-NH1 3.49Å; I59-R83 VanDerWaalsContact O-NH1 3.12Å; K79-R83 VanDerWaalsContact O-CG 3.29Å; K79-R83 WeakPolarHBondContact O-CG 3.41Å; K79-R83 PolarHBondContact O-N 3.37Å; K79-R83 VanDerWaalsContact O-N 3.14Å; I80-R83 PolarHBondContact O-N 3.08Å; L81-R83 PolarHBondContact O-N 3.1Å; R83-A86 WeakPolarHBondContact O-CB 3.48Å; R83-A86 PolarHBondContact O-N 2.89Å; R83-L87 VanDerWaalsContact O-CG 3.26Å; R83-L87 WeakPolarHBondContact O-CG 3.23Å; R83-L87 PolarHBondContact O-N 2.93Å
84	L	84.2	Confident	86.3	Confident	2 Å²	2	25.1 Å²	25.1	1%	0.01	12%	0.116	C	C	.	.	H	α-helix	trans	-62.6	-47.3	178.5	178	136.1	0	0	0	110.8	I80 L81 A86 L87 I88 F210	I80-L84 WeakPolarHBondContact O-CB 3.13Å; I80-L84 PolarHBondContact O-N 3.24Å; L81-L84 PolarHBondContact O-N 2.72Å; L84-A86 VanDerWaalsContact C-N 3.27Å; L84-A86 PolarHBondContact O-N 2.91Å; L84-L87 WeakPolarHBondContact O-CB 3.28Å; L84-L87 PolarHBondContact O-N 2.9Å; L84-I88 HydrophobicContact CD2-CD1 4.12Å; L84-I88 HydrophobicContact CD2-CG1 4.46Å; L84-I88 VanDerWaalsContact O-CG1 3.27Å; L84-I88 WeakPolarHBondContact O-CG1 3.48Å; L84-I88 PolarHBondContact O-N 3.46Å; L84-F210 HydrophobicContact CD1-CD2 3.6Å; L84-F210 HydrophobicContact CD1-CE2 4Å; L84-F210 HydrophobicContact CD1-CG 4.4Å; L84-F210 HydrophobicContact CD2-CD2 3.49Å; L84-F210 VanDerWaalsContact CD2-CD2 3.49Å; L84-F210 HydrophobicContact CD2-CE2 3.45Å; L84-F210 VanDerWaalsContact CD2-CE2 3.45Å; L84-F210 HydrophobicContact CG-CD2 3.88Å; L84-F210 HydrophobicContact CG-CE2 4.25Å
85	G	85.1	Confident	86.7	Confident	5 Å²	5	23.7 Å²	23.7	5%	0.052	11%	0.109	C	C	.	.	H	α-helix	trans	-56.6	-39.1	175.1	0	0	0	0	0	113.1	L81 H89 A90	L81-G85 PolarHBondContact O-N 2.91Å; G85-H89 WeakPolarHBondContact O-CA 3.48Å; G85-H89 PolarHBondContact O-N 2.9Å; G85-H89 VanDerWaalsContact O-N 3.1Å; G85-A90 PolarHBondContact O-N 3.09Å
86	A	81.8	Confident	87.1	Confident	12 Å²	12	19.9 Å²	19.9	10%	0.099	9%	0.093	C	C	.	.	H	α-helix	trans	-65.6	-43.3	173.9	0	0	0	0	0	112.7	F45 K82 R83 L84 H89 T116	F45-A86 HydrophobicContact CB-CB 4.5Å; F45-A86 HydrophobicContact CD1-CB 3.66Å; F45-A86 HydrophobicContact CE1-CB 4.22Å; F45-A86 HydrophobicContact CG-CB 4.28Å; K82-A86 PolarHBondContact O-N 3.1Å; R83-A86 WeakPolarHBondContact O-CB 3.48Å; R83-A86 PolarHBondContact O-N 2.89Å; L84-A86 VanDerWaalsContact C-N 3.27Å; L84-A86 PolarHBondContact O-N 2.91Å; A86-H89 PolarHBondContact O-N 2.75Å; A86-T116 HydrophobicContact CB-CG2 3.74Å
87	L	79.8	Confident	87.4	Confident	14 Å²	14	21.9 Å²	21.9	7%	0.073	10%	0.102	C	C	.	.	H	α-helix	trans	-67.7	-41.7	-177.6	-74.2	174.9	0	0	0	113.5	L48 L51 R83 L84 H89 L209 Y213	L48-L87 HydrophobicContact CD2-CD2 4.43Å; L51-L87 HydrophobicContact CD1-CD2 3.29Å; L51-L87 HydrophobicContact CD2-CD2 4.36Å; L51-L87 HydrophobicContact CG-CD2 4.43Å; R83-L87 VanDerWaalsContact O-CG 3.26Å; R83-L87 WeakPolarHBondContact O-CG 3.23Å; R83-L87 PolarHBondContact O-N 2.93Å; L84-L87 WeakPolarHBondContact O-CB 3.28Å; L84-L87 PolarHBondContact O-N 2.9Å; L87-H89 VanDerWaalsContact C-N 3.32Å; L87-L209 HydrophobicContact CB-CD2 3.89Å; L87-Y213 HydrophobicContact CD1-CD1 4.05Å; L87-Y213 HydrophobicContact CD1-CD2 3.81Å; L87-Y213 HydrophobicContact CD1-CE1 3.7Å; L87-Y213 HydrophobicContact CD1-CE2 3.46Å; L87-Y213 VanDerWaalsContact CD1-CE2 3.46Å; L87-Y213 HydrophobicContact CD1-CG 4.1Å
88	I	84.4	Confident	87.6	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	7.8	178.1	64.5	161.9	0	0	0	112.5	L84 A90 L177 A193 K196 F202 D206 L209 F210	L84-I88 HydrophobicContact CD2-CD1 4.12Å; L84-I88 HydrophobicContact CD2-CG1 4.46Å; L84-I88 VanDerWaalsContact O-CG1 3.27Å; L84-I88 WeakPolarHBondContact O-CG1 3.48Å; L84-I88 PolarHBondContact O-N 3.46Å; I88-A90 HydrophobicContact CD1-CB 3.85Å; I88-A90 HydrophobicContact CG1-CB 3.88Å; I88-A90 PolarHBondContact O-N 3.12Å; I88-L177 HydrophobicContact CD1-CD2 4.41Å; I88-A193 HydrophobicContact CD1-CB 3.64Å; I88-K196 VanDerWaalsContact O-CD 3.27Å; I88-K196 WeakPolarHBondContact O-CD 3.35Å; I88-K196 WeakPolarHBondContact O-CE 3.44Å; I88-K196 PolarHBondContact O-NZ 2.85Å; I88-F202 HydrophobicContact CD1-CD1 4.43Å; I88-F202 HydrophobicContact CD1-CE1 3.94Å; I88-D206 HydrophobicContact CB-CB 4.44Å; I88-D206 HydrophobicContact CG2-CB 4.36Å; I88-L209 HydrophobicContact CG2-CB 4.44Å; I88-L209 HydrophobicContact CG2-CD2 4.24Å; I88-F210 HydrophobicContact CD1-CD2 4.02Å; I88-F210 HydrophobicContact CG2-CB 4.4Å
89	H	85.3	Confident	87.5	Confident	53 Å²	53	26.8 Å²	26.8	25%	0.245	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.9	46.7	-176.2	-56.8	-79.4	0	0	0	113	L48 G85 A86 L87 K196 T197 T198	L48-H89 PolarHBondContact O-CE1 2.9Å; L48-H89 VanDerWaalsContact O-CE1 3.25Å; L48-H89 PolarHBondContact O-NE2 2.75Å; G85-H89 WeakPolarHBondContact O-CA 3.48Å; G85-H89 PolarHBondContact O-N 2.9Å; G85-H89 VanDerWaalsContact O-N 3.1Å; A86-H89 PolarHBondContact O-N 2.75Å; L87-H89 VanDerWaalsContact C-N 3.32Å; H89-K196 HydrophobicContact CB-CD 4.4Å; H89-K196 WeakPolarHBondContact O-CA 3.27Å; H89-T197 PolarHBondContact O-N 3.29Å; H89-T197 PolarHBondContact O-OG1 2.99Å; H89-T198 HydrophobicContact CB-CG2 3.88Å
90	A	87.9	Confident	87.4	Confident	7 Å²	7	27.4 Å²	27.4	6%	0.058	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	144.7	173	0	0	0	0	0	109.9	G85 I88 A193 F202	G85-A90 PolarHBondContact O-N 3.09Å; I88-A90 HydrophobicContact CD1-CB 3.85Å; I88-A90 HydrophobicContact CG1-CB 3.88Å; I88-A90 PolarHBondContact O-N 3.12Å; A90-A193 HydrophobicContact CB-CB 4.14Å; A90-F202 HydrophobicContact CB-CE1 4.01Å; A90-F202 HydrophobicContact CB-CZ 4.04Å
91	D	89.8	Confident	86.9	Confident	63 Å²	63	31 Å²	31	34%	0.337	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	-45	176.3	-173	42.5	0	0	0	111	Y171 L194 N195 T197	D91-Y171 WeakPolarHBondContact OD2-CE2 3.31Å; D91-Y171 PolarHBondContact OD2-OH 2.74Å; D91-L194 PolarHBondContact N-O 3.31Å; D91-L194 VanDerWaalsContact N-O 3.13Å; D91-N195 HydrophobicContact CB-CB 3.99Å; D91-N195 WeakPolarHBondContact CB-O 3.39Å; D91-N195 PolarHBondContact N-O 3.2Å; D91-T197 HydrophobicContact CB-CG2 4.07Å
92	R	90.4	Very high	86.3	Confident	71 Å²	71	34.4 Å²	34.4	27%	0.268	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	148.6	-177.4	-56.3	-170.6	-176.4	-148.7	-0.1	112.8	N113 V114 A193 L194	R92-N113 WeakPolarHBondContact CD-OD1 3.48Å; R92-N113 PolarHBondContact NH1-ND2 3.12Å; R92-N113 PolarHBondContact NH1-OD1 3.49Å; R92-V114 CarbonylContact C-O 3.57Å; R92-V114 WeakPolarHBondContact CA-O 3.4Å; R92-A193 WeakPolarHBondContact O-CA 3.27Å; R92-L194 HydrophobicContact CB-CB 4.45Å; R92-L194 PolarHBondContact N-O 2.96Å; R92-L194 PolarHBondContact O-N 3.07Å
93	C	92.6	Very high	85.9	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	148.6	169.5	-61.9	0	0	0	0	111.3	L81 V114 M192	L81-C93 HydrophobicContact CB-CB 4.26Å; L81-C93 HydrophobicContact CD2-CB 4.29Å; C93-V114 HydrophobicContact CB-CB 4.49Å; C93-V114 PolarHBondContact N-O 2.52Å; C93-V114 VanDerWaalsContact O-CB 3.31Å; C93-V114 WeakPolarHBondContact O-CB 3.46Å; C93-V114 PolarHBondContact O-N 3.15Å; C93-M192 CarbonylContact C-O 3.4Å; C93-M192 VanDerWaalsContact CA-O 3.27Å; C93-M192 WeakPolarHBondContact CA-O 3.15Å
94	S	93.2	Very high	86	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	150.5	-176.6	-57.2	0	0	0	0	111.2	L111 M192	S94-L111 WeakPolarHBondContact CA-O 3.4Å; S94-M192 PolarHBondContact N-O 3.26Å; S94-M192 PolarHBondContact O-N 2.96Å
95	L	93.8	Very high	86.1	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	125.8	177.3	177.6	71.7	0	0	0	110.3	V77 L81 M97 R110 L111 A189 I191 L221	V77-L95 HydrophobicContact CG1-CD2 3.92Å; L81-L95 HydrophobicContact CD1-CB 4.19Å; L95-M97 HydrophobicContact CD2-SD 4.15Å; L95-M97 HydrophobicContact CG-SD 4.34Å; L95-R110 HydrophobicContact CD2-CB 4.48Å; L95-R110 PolarHBondContact O-N 2.96Å; L95-L111 HydrophobicContact CB-CB 3.95Å; L95-L111 HydrophobicContact CB-CD1 4.42Å; L95-L111 HydrophobicContact CB-CG 4.45Å; L95-L111 HydrophobicContact CD2-CD1 4.03Å; L95-L111 HydrophobicContact CD2-CG 4.3Å; L95-L111 PolarHBondContact N-O 2.81Å; L95-L111 PolarHBondContact O-N 2.88Å; L95-A189 HydrophobicContact CD1-CB 3.92Å; L95-I191 HydrophobicContact CD1-CD1 4Å; L95-I191 HydrophobicContact CD1-CG1 3.47Å; L95-I191 VanDerWaalsContact CD1-CG1 3.47Å; L95-L221 HydrophobicContact CD1-CD1 4.23Å
96	F	93.6	Very high	86.3	Confident	1 Å²	1	37.8 Å²	37.8	0%	0.004	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	128.5	173.8	-60.6	-98.4	0	0	0	109.6	L107 A108 T109 Y133 V140 A189 V190 M192	F96-L107 HydrophobicContact CB-CB 4.34Å; F96-L107 HydrophobicContact CB-CD2 4.34Å; F96-A108 CarbonylContact C-O 3.56Å; F96-A108 WeakPolarHBondContact CA-O 3.46Å; F96-T109 HydrophobicContact CD1-CG2 3.69Å; F96-T109 HydrophobicContact CE1-CG2 3.27Å; F96-T109 HydrophobicContact CZ-CG2 3.98Å; F96-Y133 HydrophobicContact CD1-CD2 4.22Å; F96-Y133 AromaticContact CE1-CD2 3.76Å; F96-Y133 HydrophobicContact CE1-CD2 3.76Å; F96-Y133 AromaticContact CE1-CE2 3.74Å; F96-Y133 HydrophobicContact CE1-CE2 3.74Å; F96-Y133 HydrophobicContact CZ-CE2 4.34Å; F96-V140 HydrophobicContact CB-CG1 4.2Å; F96-V140 HydrophobicContact CD1-CG1 4.18Å; F96-V140 HydrophobicContact CD2-CG1 4.14Å; F96-V140 HydrophobicContact CD2-CG2 4.27Å; F96-V140 HydrophobicContact CE2-CG2 4.03Å; F96-V140 HydrophobicContact CG-CG1 3.91Å; F96-V140 HydrophobicContact CZ-CG2 4.22Å; F96-A189 CarbonylContact O-C 3.57Å; F96-A189 WeakPolarHBondContact O-CA 3.3Å; F96-A189 VanDerWaalsContact O-CB 3.25Å; F96-A189 WeakPolarHBondContact O-CB 3.38Å; F96-V190 HydrophobicContact CB-CB 4.39Å; F96-V190 PolarHBondContact N-O 3.5Å; F96-V190 PolarHBondContact O-N 3.05Å; F96-M192 HydrophobicContact CE2-CB 4.32Å; F96-M192 HydrophobicContact CE2-CE 3.89Å; F96-M192 HydrophobicContact CZ-CE 4.09Å
97	M	90.9	Very high	86.8	Confident	42 Å²	42	37.2 Å²	37.2	21%	0.207	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	136.4	177.7	-65.1	-62.4	-63.1	0	0	109.8	L95 L107 A108 R110 A189 L221	L95-M97 HydrophobicContact CD2-SD 4.15Å; L95-M97 HydrophobicContact CG-SD 4.34Å; M97-L107 CarbonylContact O-C 3.51Å; M97-L107 WeakPolarHBondContact O-CA 3.46Å; M97-A108 PolarHBondContact N-O 3.43Å; M97-A108 PolarHBondContact O-N 2.9Å; M97-R110 HydrophobicContact CG-CB 3.71Å; M97-R110 HydrophobicContact CG-CG 4.32Å; M97-A189 HydrophobicContact SD-CB 4Å; M97-L221 HydrophobicContact SD-CD2 4.46Å
98	Y	90.6	Very high	87.3	Confident	70 Å²	70	36.8 Å²	36.8	28%	0.275	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	134.6	176	179.2	-100.4	0	0	0	110.7	L107 L135 L187 V188	Y98-L107 HydrophobicContact CD2-CD2 4.25Å; Y98-L107 HydrophobicContact CD2-CG 4.47Å; Y98-L135 HydrophobicContact CE2-CD1 4.37Å; Y98-L135 HydrophobicContact CE2-CD2 4.21Å; Y98-L187 VanDerWaalsContact CD1-O 3.27Å; Y98-L187 WeakPolarHBondContact CD1-O 3.34Å; Y98-L187 HydrophobicContact CD2-CD2 3.78Å; Y98-L187 HydrophobicContact CD2-CG 4.47Å; Y98-L187 HydrophobicContact CE2-CD2 4.42Å; Y98-L187 HydrophobicContact CG-CB 4.35Å; Y98-L187 HydrophobicContact CG-CD2 4.1Å; Y98-L187 HydrophobicContact CG-CG 4.31Å; Y98-V188 PolarHBondContact N-O 3.37Å; Y98-V188 VanDerWaalsContact N-O 3.09Å
99	R	87.3	Confident	87.7	Confident	48 Å²	48	36.8 Å²	36.8	18%	0.181	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	164.9	169.1	67.2	-176.3	-174.3	-147.7	-5.7	110.3	G105 E106 E130	R99-G105 WeakPolarHBondContact O-CA 3.36Å; R99-E106 HydrophobicContact CG-CG 3.65Å; R99-E106 IonicContact CZ-OE1 3.82Å; R99-E106 PolarHBondContact N-O 3.01Å; R99-E106 IonicContact NE-OE1 3.83Å; R99-E106 PolarHBondContact NE-OE1 2.77Å; R99-E106 IonicContact NH2-OE1 2.73Å; R99-E106 PolarHBondContact NH2-OE1 2.83Å; R99-E106 PolarHBondContact O-N 3.14Å; R99-E106 VanDerWaalsContact O-O 3.07Å; R99-E130 IonicContact CZ-OE2 2.8Å; R99-E130 IonicContact NH1-OE2 2.67Å; R99-E130 PolarHBondContact NH1-OE2 2.81Å
100	Q	84.3	Confident	87.9	Confident	68 Å²	68	36 Å²	36	32%	0.318	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	144.9	-178.4	-169.8	169.2	-1.2	0	0	109.5	G103 I104 D413	Q100-G103 VanDerWaalsContact NE2-C 3.29Å; Q100-G103 PolarHBondContact NE2-O 2.88Å; Q100-I104 WeakPolarHBondContact CA-O 3.38Å; Q100-D413 HydrophobicContact CB-CB 4.29Å; Q100-D413 PolarHBondContact O-N 3.42Å
101	R	75.1	Confident	88.1	Confident	78 Å²	78	35.7 Å²	35.7	29%	0.294	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	128.5	-179.4	-179.8	-176.4	71	99.6	0.6	110	G103 I104 N357	R101-G103 PolarHBondContact O-N 3.43Å; R101-I104 PolarHBondContact N-O 2.8Å; R101-I104 PolarHBondContact O-N 3.42Å; R101-N357 HydrophobicContact CG-CB 4.42Å; R101-N357 PolarHBondContact NH1-O 3.04Å
102	N	74.1	Confident	88.2	Confident	73 Å²	73	34 Å²	34	39%	0.39	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.7	34.5	-178.3	-57.1	-16.8	0	0	0	112.6	I104 E416	N102-I104 PolarHBondContact O-N 2.99Å; N102-E416 PolarHBondContact N-OE1 3.39Å; N102-E416 PolarHBondContact N-OE2 3.36Å; N102-E416 PolarHBondContact OD1-OE1 3.14Å
103	G	78.3	Confident	88.1	Confident	47 Å²	47	33 Å²	33	49%	0.485	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.3	-6.2	-175.1	0	0	0	0	0	117.1	Q100 R101	Q100-G103 VanDerWaalsContact NE2-C 3.29Å; Q100-G103 PolarHBondContact NE2-O 2.88Å; R101-G103 PolarHBondContact O-N 3.43Å
104	I	84.2	Confident	88	Confident	113 Å²	113	33 Å²	33	58%	0.579	17%	0.167	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-97.3	125.9	178.6	-57	170.3	0	0	0	110.2	Q100 R101 N102	Q100-I104 WeakPolarHBondContact CA-O 3.38Å; R101-I104 PolarHBondContact N-O 2.8Å; R101-I104 PolarHBondContact O-N 3.42Å; N102-I104 PolarHBondContact O-N 2.99Å
105	G	86.1	Confident	87.7	Confident	7 Å²	7	35 Å²	35	7%	0.072	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	146.6	179	0	0	0	0	0	113.2	R99 L135	R99-G105 WeakPolarHBondContact O-CA 3.36Å; G105-L135 WeakPolarHBondContact O-CG 3.27Å
106	E	89.8	Confident	87	Confident	27 Å²	27	37.5 Å²	37.5	13%	0.126	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	162.4	176.6	63.1	-179.8	-142.5	0	0	111.8	R99 V132	R99-E106 HydrophobicContact CG-CG 3.65Å; R99-E106 IonicContact CZ-OE1 3.82Å; R99-E106 PolarHBondContact N-O 3.01Å; R99-E106 IonicContact NE-OE1 3.83Å; R99-E106 PolarHBondContact NE-OE1 2.77Å; R99-E106 IonicContact NH2-OE1 2.73Å; R99-E106 PolarHBondContact NH2-OE1 2.83Å; R99-E106 PolarHBondContact O-N 3.14Å; R99-E106 VanDerWaalsContact O-O 3.07Å; E106-V132 HydrophobicContact CB-CG1 3.88Å; E106-V132 HydrophobicContact CG-CG1 4.08Å
107	L	91	Very high	86.4	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	117.4	-177	-73.1	154.6	0	0	0	110.2	F96 M97 Y98 V132 Y133 L135 V140 A144 L187 V190	F96-L107 HydrophobicContact CB-CB 4.34Å; F96-L107 HydrophobicContact CB-CD2 4.34Å; M97-L107 CarbonylContact O-C 3.51Å; M97-L107 WeakPolarHBondContact O-CA 3.46Å; Y98-L107 HydrophobicContact CD2-CD2 4.25Å; Y98-L107 HydrophobicContact CD2-CG 4.47Å; L107-V132 CarbonylContact O-C 3.48Å; L107-V132 WeakPolarHBondContact O-CA 3.39Å; L107-Y133 PolarHBondContact N-O 3.49Å; L107-Y133 PolarHBondContact O-N 3.42Å; L107-L135 HydrophobicContact CD1-CD2 3.97Å; L107-L135 HydrophobicContact CG-CD2 4.45Å; L107-V140 HydrophobicContact CB-CG1 4.34Å; L107-V140 HydrophobicContact CD1-CG1 3.68Å; L107-V140 HydrophobicContact CG-CG1 4.47Å; L107-A144 HydrophobicContact CD1-CB 3.56Å; L107-L187 HydrophobicContact CD2-CD2 4.37Å; L107-V190 HydrophobicContact CD1-CG2 4.42Å; L107-V190 HydrophobicContact CD2-CG2 4Å
108	A	91	Very high	86.2	Confident	4 Å²	4	42.9 Å²	42.9	3%	0.033	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	138	-179.5	0	0	0	0	0	111.5	F96 M97 R110 V132	F96-A108 CarbonylContact C-O 3.56Å; F96-A108 WeakPolarHBondContact CA-O 3.46Å; M97-A108 PolarHBondContact N-O 3.43Å; M97-A108 PolarHBondContact O-N 2.9Å; A108-R110 PolarHBondContact O-N 3.48Å; A108-V132 HydrophobicContact CB-CG2 4.46Å
109	T	92	Very high	86	Confident	1 Å²	1	43.7 Å²	43.7	1%	0.006	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	128	175.3	50.5	0	0	0	0	111.6	F96 F112 I131	F96-T109 HydrophobicContact CD1-CG2 3.69Å; F96-T109 HydrophobicContact CE1-CG2 3.27Å; F96-T109 HydrophobicContact CZ-CG2 3.98Å; T109-F112 HydrophobicContact CG2-CD2 4.01Å; T109-F112 HydrophobicContact CG2-CE2 4.47Å; T109-I131 HydrophobicContact CG2-CB 3.84Å; T109-I131 PolarHBondContact N-O 2.98Å; T109-I131 PolarHBondContact OG1-N 2.95Å; T109-I131 PolarHBondContact OG1-O 2.84Å
110	R	90.4	Very high	86	Confident	36 Å²	36	43.4 Å²	43.4	14%	0.136	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	-41.2	172.6	-170.6	64.5	-173.1	143.1	4.9	113.7	E74 L95 M97 A108 V125	E74-R110 HydrophobicContact CG-CG 4.45Å; E74-R110 IonicContact OE1-CZ 3.59Å; E74-R110 IonicContact OE1-NE 2.87Å; E74-R110 PolarHBondContact OE1-NE 3.41Å; E74-R110 IonicContact OE1-NH2 2.61Å; E74-R110 PolarHBondContact OE1-NH2 2.93Å; E74-R110 IonicContact OE2-CZ 2.88Å; E74-R110 IonicContact OE2-NE 3Å; E74-R110 IonicContact OE2-NH2 3.64Å; E74-R110 PolarHBondContact OE2-NH2 2.93Å; E74-R110 VanDerWaalsContact OE2-NH2 3.07Å; L95-R110 HydrophobicContact CD2-CB 4.48Å; L95-R110 PolarHBondContact O-N 2.96Å; M97-R110 HydrophobicContact CG-CB 3.71Å; M97-R110 HydrophobicContact CG-CG 4.32Å; A108-R110 PolarHBondContact O-N 3.48Å; R110-V125 PolarHBondContact NH1-O 2.88Å; R110-V125 PolarHBondContact O-N 2.94Å
111	L	91.7	Very high	86	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	128.3	169.6	-62.1	170.1	0	0	0	108.3	V77 F78 L81 S94 L95 V114 L120 C123 V124	V77-L111 HydrophobicContact CB-CD1 4.29Å; V77-L111 HydrophobicContact CG1-CD1 4.07Å; F78-L111 HydrophobicContact CB-CD1 4.16Å; L81-L111 HydrophobicContact CD1-CB 4.44Å; L81-L111 HydrophobicContact CD1-CD1 3.92Å; S94-L111 WeakPolarHBondContact CA-O 3.4Å; L95-L111 HydrophobicContact CB-CB 3.95Å; L95-L111 HydrophobicContact CB-CD1 4.42Å; L95-L111 HydrophobicContact CB-CG 4.45Å; L95-L111 HydrophobicContact CD2-CD1 4.03Å; L95-L111 HydrophobicContact CD2-CG 4.3Å; L95-L111 PolarHBondContact N-O 2.81Å; L95-L111 PolarHBondContact O-N 2.88Å; L111-V114 HydrophobicContact CB-CG2 4.18Å; L111-L120 HydrophobicContact CD2-CD1 4.35Å; L111-C123 WeakPolarHBondContact CA-O 3.38Å; L111-V124 HydrophobicContact CD2-CB 4.5Å; L111-V124 HydrophobicContact CD2-CG2 3.67Å
112	F	91.4	Very high	86.6	Confident	29 Å²	29	51.1 Å²	51.1	13%	0.127	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	145.9	-176	-162.7	-109.5	0	0	0	110.7	T109 V114 C123 V125 I131 V165 T169	T109-F112 HydrophobicContact CG2-CD2 4.01Å; T109-F112 HydrophobicContact CG2-CE2 4.47Å; F112-V114 VanDerWaalsContact C-N 3.35Å; F112-V114 PolarHBondContact O-N 2.75Å; F112-C123 PolarHBondContact N-O 2.5Å; F112-V125 HydrophobicContact CB-CG2 3.59Å; F112-I131 HydrophobicContact CZ-CD1 4.41Å; F112-V165 HydrophobicContact CE2-CG1 4.28Å; F112-V165 HydrophobicContact CZ-CG1 3.69Å; F112-T169 HydrophobicContact CE1-CG2 3.97Å; F112-T169 HydrophobicContact CZ-CG2 4.29Å
113	N	88.6	Confident	87.3	Confident	48 Å²	48	48 Å²	48	26%	0.257	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	56.6	38	177.5	-70.5	-31.3	0	0	0	115.5	R92 S115	R92-N113 WeakPolarHBondContact CD-OD1 3.48Å; R92-N113 PolarHBondContact NH1-ND2 3.12Å; R92-N113 PolarHBondContact NH1-OD1 3.49Å; N113-S115 PolarHBondContact O-N 2.9Å
114	V	90.3	Very high	87.8	Confident	2 Å²	2	47.7 Å²	47.7	1%	0.012	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	116.6	177.7	-176.8	0	0	0	0	109.9	F78 L81 K82 R92 C93 L111 F112 C123	F78-V114 HydrophobicContact CD2-CG1 3.86Å; F78-V114 HydrophobicContact CD2-CG2 3.92Å; F78-V114 HydrophobicContact CE2-CB 4.49Å; F78-V114 HydrophobicContact CE2-CG1 3.73Å; F78-V114 HydrophobicContact CE2-CG2 4.16Å; L81-V114 HydrophobicContact CB-CB 4.49Å; L81-V114 HydrophobicContact CB-CG1 4.08Å; L81-V114 HydrophobicContact CD1-CG2 4.39Å; K82-V114 HydrophobicContact CB-CG1 4.25Å; R92-V114 CarbonylContact C-O 3.57Å; R92-V114 WeakPolarHBondContact CA-O 3.4Å; C93-V114 HydrophobicContact CB-CB 4.49Å; C93-V114 PolarHBondContact N-O 2.52Å; C93-V114 VanDerWaalsContact O-CB 3.31Å; C93-V114 WeakPolarHBondContact O-CB 3.46Å; C93-V114 PolarHBondContact O-N 3.15Å; L111-V114 HydrophobicContact CB-CG2 4.18Å; F112-V114 VanDerWaalsContact C-N 3.35Å; F112-V114 PolarHBondContact O-N 2.75Å; V114-C123 HydrophobicContact CG2-CB 4.04Å
115	S	87.1	Confident	88	Confident	40 Å²	40	43.1 Å²	43.1	28%	0.28	23%	0.234	S	C	.	.			trans	-117.6	170.3	175.6	73.6	0	0	0	0	111.8	N113 N117 S118	N113-S115 PolarHBondContact O-N 2.9Å; S115-N117 PolarHBondContact O-N 3.07Å; S115-N117 VanDerWaalsContact O-N 3.13Å; S115-S118 PolarHBondContact N-OG 3.4Å; S115-S118 VanDerWaalsContact N-OG 3.14Å; S115-S118 WeakPolarHBondContact O-CB 3.37Å; S115-S118 PolarHBondContact O-N 3.11Å; S115-S118 VanDerWaalsContact O-N 3.16Å; S115-S118 PolarHBondContact O-OG 2.82Å; S115-S118 PolarHBondContact OG-N 3.47Å
116	T	79.8	Confident	88	Confident	53 Å²	53	46.1 Å²	46.1	33%	0.325	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-19.3	-179.5	54.7	0	0	0	0	114.5	K82 A86	K82-T116 VanDerWaalsContact CE-C 3.44Å; K82-T116 WeakPolarHBondContact CE-O 3.4Å; K82-T116 PolarHBondContact NZ-O 3.16Å; A86-T116 HydrophobicContact CB-CG2 3.74Å
117	N	81.4	Confident	87.6	Confident	142 Å²	142	46.6 Å²	46.6	76%	0.759	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.3	-2.9	178.3	-66.8	-24.8	0	0	0	113.6	S115	S115-N117 PolarHBondContact O-N 3.07Å; S115-N117 VanDerWaalsContact O-N 3.13Å
118	S	85.1	Confident	86.9	Confident	14 Å²	14	52.4 Å²	52.4	10%	0.098	29%	0.289	C	S	.	.			trans	-64.5	153.5	-177.3	61.6	0	0	0	0	113.7	F78 K82 S115 C123	F78-S118 WeakPolarHBondContact CE2-OG 3.14Å; F78-S118 WeakPolarHBondContact CZ-O 3.27Å; K82-S118 PolarHBondContact NZ-O 3.32Å; S115-S118 PolarHBondContact N-OG 3.4Å; S115-S118 VanDerWaalsContact N-OG 3.14Å; S115-S118 WeakPolarHBondContact O-CB 3.37Å; S115-S118 PolarHBondContact O-N 3.11Å; S115-S118 VanDerWaalsContact O-N 3.16Å; S115-S118 PolarHBondContact O-OG 2.82Å; S115-S118 PolarHBondContact OG-N 3.47Å; S118-C123 VanDerWaalsContact CB-SG 3.55Å
119	V	88.3	Confident	86.6	Confident	87 Å²	87	56.1 Å²	56.1	53%	0.527	31%	0.314	S	S	.	.			trans	-105.2	151	170.9	-175.2	0	0	0	0	108.6	F78 E121 D122	F78-V119 VanDerWaalsContact CZ-C 3.47Å; V119-E121 PolarHBondContact O-N 3.16Å; V119-D122 PolarHBondContact O-N 3.34Å
120	L	85.4	Confident	86.3	Confident	42 Å²	42	57.7 Å²	57.7	22%	0.22	32%	0.321	C	S	.	.	H	α-helix	trans	-59.5	-43.7	-175.2	177.7	65.7	0	0	0	112.6	K75 F78 L111 D122 C123 V124	K75-L120 HydrophobicContact CB-CD2 3.9Å; K75-L120 HydrophobicContact CG-CD2 4.06Å; F78-L120 HydrophobicContact CB-CD1 3.51Å; F78-L120 HydrophobicContact CD1-CB 4.03Å; F78-L120 HydrophobicContact CD1-CD1 3.94Å; F78-L120 HydrophobicContact CD2-CD1 3.98Å; F78-L120 HydrophobicContact CE1-CB 4.06Å; F78-L120 HydrophobicContact CG-CB 4.38Å; F78-L120 HydrophobicContact CG-CD1 3.53Å; F78-L120 HydrophobicContact CZ-CB 4.43Å; L111-L120 HydrophobicContact CD2-CD1 4.35Å; L120-D122 VanDerWaalsContact C-N 3.28Å; L120-D122 PolarHBondContact O-N 2.82Å; L120-C123 PolarHBondContact O-N 3.05Å; L120-C123 VanDerWaalsContact O-N 3.11Å; L120-V124 HydrophobicContact CD1-CG2 3.65Å; L120-V124 HydrophobicContact CG-CG2 4.01Å; L120-V124 WeakPolarHBondContact O-CG2 3.34Å; L120-V124 PolarHBondContact O-N 2.87Å; L120-V124 VanDerWaalsContact O-N 3.16Å
121	E	85.9	Confident	86.2	Confident	170 Å²	170	57.1 Å²	57.1	79%	0.794	32%	0.321	S	S	*	.	H	α-helix	trans	-61.2	-35.6	-174.2	-67.4	176.6	-174.7	0	0	112.5	V119 C123	V119-E121 PolarHBondContact O-N 3.16Å; E121-C123 VanDerWaalsContact C-N 3.33Å; E121-C123 PolarHBondContact O-N 3.39Å
122	D	86.3	Confident	86	Confident	139 Å²	139	59.9 Å²	59.9	74%	0.743	34%	0.338	S	S	*	.	H	α-helix	trans	-77.9	-18	179.5	-57.9	-32.6	0	0	0	113.2	V119 L120	V119-D122 PolarHBondContact O-N 3.34Å; L120-D122 VanDerWaalsContact C-N 3.28Å; L120-D122 PolarHBondContact O-N 2.82Å
123	C	88.3	Confident	85.9	Confident	7 Å²	7	59.6 Å²	59.6	5%	0.047	34%	0.336	C	S	.	.	H	α-helix	trans	-103.5	-13.4	-174.7	-72	0	0	0	0	114	F78 L111 F112 V114 S118 L120 E121	F78-C123 HydrophobicContact CD2-CB 4.17Å; F78-C123 HydrophobicContact CE2-CB 3.86Å; L111-C123 WeakPolarHBondContact CA-O 3.38Å; F112-C123 PolarHBondContact N-O 2.5Å; V114-C123 HydrophobicContact CG2-CB 4.04Å; S118-C123 VanDerWaalsContact CB-SG 3.55Å; L120-C123 PolarHBondContact O-N 3.05Å; L120-C123 VanDerWaalsContact O-N 3.11Å; E121-C123 VanDerWaalsContact C-N 3.33Å; E121-C123 PolarHBondContact O-N 3.39Å
124	V	89.6	Confident	85.9	Confident	40 Å²	40	59.9 Å²	59.9	24%	0.242	34%	0.34	C	S	.	.	B	Isolated β-bridge	trans	-81.7	122.5	176.8	173.5	0	0	0	0	109.2	L111 L120	L111-V124 HydrophobicContact CD2-CB 4.5Å; L111-V124 HydrophobicContact CD2-CG2 3.67Å; L120-V124 HydrophobicContact CD1-CG2 3.65Å; L120-V124 HydrophobicContact CG-CG2 4.01Å; L120-V124 WeakPolarHBondContact O-CG2 3.34Å; L120-V124 PolarHBondContact O-N 2.87Å; L120-V124 VanDerWaalsContact O-N 3.16Å
125	V	88.5	Confident	85.8	Confident	18 Å²	18	61.5 Å²	61.5	11%	0.109	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-89.2	122.9	-179	-175.3	0	0	0	0	109.8	R110 F112 S129 E130	R110-V125 PolarHBondContact NH1-O 2.88Å; R110-V125 PolarHBondContact O-N 2.94Å; F112-V125 HydrophobicContact CB-CG2 3.59Å; V125-S129 VanDerWaalsContact CG1-O 3.27Å; V125-S129 WeakPolarHBondContact CG1-O 3.33Å; V125-E130 HydrophobicContact CG1-CG 4.1Å
126	P	85.5	Confident	85.8	Confident	69 Å²	69	66.2 Å²	66.2	45%	0.448	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-72.4	153	173.8	30.7	-33.9	0	0	0	111.2	D128 S129 E130	P126-D128 VanDerWaalsContact C-N 3.26Å; P126-D128 PolarHBondContact O-N 2.93Å; P126-D128 VanDerWaalsContact O-N 3.15Å; P126-S129 PolarHBondContact O-N 2.75Å; P126-E130 PolarHBondContact O-N 2.88Å
127	P	81.3	Confident	86.1	Confident	37 Å²	37	67.5 Å²	67.5	24%	0.24	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-51.8	-39	-177.2	-29.2	36.6	0	0	0	115	S129 E130 G408 K409	P127-S129 PolarHBondContact O-N 2.81Å; P127-E130 PolarHBondContact O-N 3.45Å; P127-G408 WeakPolarHBondContact CB-O 3.47Å; P127-K409 HydrophobicContact CB-CG 4.34Å; P127-K409 HydrophobicContact CG-CG 3.84Å
128	D	77.9	Confident	86.4	Confident	123 Å²	123	61 Å²	61	66%	0.658	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-69	-12.8	-178.5	-63	-27.2	0	0	0	113.5	P126	P126-D128 VanDerWaalsContact C-N 3.26Å; P126-D128 PolarHBondContact O-N 2.93Å; P126-D128 VanDerWaalsContact O-N 3.15Å
129	S	83.6	Confident	86.6	Confident	81 Å²	81	60.9 Å²	60.9	57%	0.566	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-124.9	18.7	-178.4	-55	0	0	0	0	112.5	V125 P126 P127	V125-S129 VanDerWaalsContact CG1-O 3.27Å; V125-S129 WeakPolarHBondContact CG1-O 3.33Å; P126-S129 PolarHBondContact O-N 2.75Å; P127-S129 PolarHBondContact O-N 2.81Å
130	E	86.9	Confident	86.7	Confident	34 Å²	34	56.9 Å²	56.9	16%	0.159	32%	0.316	C	S	.	.			trans	-69.2	136	176	-69.5	179.7	175.1	0	0	111.5	R99 V125 P126 P127	R99-E130 IonicContact CZ-OE2 2.8Å; R99-E130 IonicContact NH1-OE2 2.67Å; R99-E130 PolarHBondContact NH1-OE2 2.81Å; V125-E130 HydrophobicContact CG1-CG 4.1Å; P126-E130 PolarHBondContact O-N 2.88Å; P127-E130 PolarHBondContact O-N 3.45Å
131	I	87.7	Confident	86.9	Confident	24 Å²	24	54.9 Å²	54.9	12%	0.123	31%	0.305	C	S	.	.			trans	-89.5	125.6	167.1	-54.9	174.5	0	0	0	107.5	T109 F112 Y133 F164 V165 L168	T109-I131 HydrophobicContact CG2-CB 3.84Å; T109-I131 PolarHBondContact N-O 2.98Å; T109-I131 PolarHBondContact OG1-N 2.95Å; T109-I131 PolarHBondContact OG1-O 2.84Å; F112-I131 HydrophobicContact CZ-CD1 4.41Å; I131-Y133 HydrophobicContact CG2-CD2 4.32Å; I131-Y133 HydrophobicContact CG2-CE2 3.99Å; I131-F164 HydrophobicContact CG2-CE1 4.24Å; I131-V165 HydrophobicContact CD1-CG1 4.13Å; I131-V165 HydrophobicContact CD1-CG2 4.16Å; I131-V165 HydrophobicContact CG2-CG2 3.87Å; I131-L168 HydrophobicContact CD1-CD2 4.22Å
132	V	87.7	Confident	87.2	Confident	59 Å²	59	48.1 Å²	48.1	36%	0.358	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	127.4	-178.7	-174.9	0	0	0	0	109.9	E106 L107 A108	E106-V132 HydrophobicContact CB-CG1 3.88Å; E106-V132 HydrophobicContact CG-CG1 4.08Å; L107-V132 CarbonylContact O-C 3.48Å; L107-V132 WeakPolarHBondContact O-CA 3.39Å; A108-V132 HydrophobicContact CB-CG2 4.46Å
133	Y	88.6	Confident	87.5	Confident	22 Å²	22	41.5 Å²	41.5	9%	0.086	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	126.4	172.9	-82.4	-91.2	0	0	0	110.4	F96 L107 I131 V165	F96-Y133 HydrophobicContact CD1-CD2 4.22Å; F96-Y133 AromaticContact CE1-CD2 3.76Å; F96-Y133 HydrophobicContact CE1-CD2 3.76Å; F96-Y133 AromaticContact CE1-CE2 3.74Å; F96-Y133 HydrophobicContact CE1-CE2 3.74Å; F96-Y133 HydrophobicContact CZ-CE2 4.34Å; L107-Y133 PolarHBondContact N-O 3.49Å; L107-Y133 PolarHBondContact O-N 3.42Å; I131-Y133 HydrophobicContact CG2-CD2 4.32Å; I131-Y133 HydrophobicContact CG2-CE2 3.99Å; Y133-V165 HydrophobicContact CE2-CG2 4.03Å; Y133-V165 WeakPolarHBondContact OH-CG2 3.44Å
134	P	89	Confident	87.6	Confident	54 Å²	54	41.5 Å²	41.5	35%	0.351	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	158.3	164.5	34.3	-34.6	0	0	0	109.8	D136 L137	P134-D136 VanDerWaalsContact C-N 3.26Å; P134-D136 WeakPolarHBondContact CB-OD1 3.38Å; P134-D136 WeakPolarHBondContact CG-OD1 3.31Å; P134-D136 PolarHBondContact O-N 2.67Å; P134-L137 HydrophobicContact CG-CB 3.65Å; P134-L137 HydrophobicContact CG-CD2 4.27Å; P134-L137 PolarHBondContact O-N 3.14Å
135	L	87.9	Confident	87.6	Confident	37 Å²	37	44.5 Å²	44.5	19%	0.194	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-23.9	-173.1	-67.6	175.1	0	0	0	114	Y98 G105 L107 G141 A144 L145	Y98-L135 HydrophobicContact CE2-CD1 4.37Å; Y98-L135 HydrophobicContact CE2-CD2 4.21Å; G105-L135 WeakPolarHBondContact O-CG 3.27Å; L107-L135 HydrophobicContact CD1-CD2 3.97Å; L107-L135 HydrophobicContact CG-CD2 4.45Å; L135-G141 CarbonylContact O-C 3.12Å; L135-G141 WeakPolarHBondContact O-CA 3.32Å; L135-A144 HydrophobicContact CD2-CB 3.61Å; L135-L145 HydrophobicContact CB-CD2 4.08Å; L135-L145 HydrophobicContact CB-CG 4.15Å; L135-L145 HydrophobicContact CD1-CD2 4.45Å; L135-L145 WeakPolarHBondContact O-CD1 3.37Å
136	D	86.8	Confident	87.8	Confident	138 Å²	138	46.7 Å²	46.7	74%	0.738	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-6.1	179.8	63.3	-25.5	0	0	0	113.6	P134	P134-D136 VanDerWaalsContact C-N 3.26Å; P134-D136 WeakPolarHBondContact CB-OD1 3.38Å; P134-D136 WeakPolarHBondContact CG-OD1 3.31Å; P134-D136 PolarHBondContact O-N 2.67Å
137	L	86.6	Confident	88.1	Confident	80 Å²	80	47.9 Å²	47.9	42%	0.419	27%	0.265	S	S	.	.	S	Bend	trans	-115.7	135.7	-177.5	-168.8	69.8	0	0	0	112.3	P134	P134-L137 HydrophobicContact CG-CB 3.65Å; P134-L137 HydrophobicContact CG-CD2 4.27Å; P134-L137 PolarHBondContact O-N 3.14Å
138	G	88	Confident	88.5	Confident	6 Å²	6	53.1 Å²	53.1	6%	0.062	28%	0.284	C	S	.	.	H	α-helix	trans	80	166.7	171.2	0	0	0	0	0	114.4	V140 G141 N142 Y160	G138-V140 PolarHBondContact O-N 3.42Å; G138-G141 PolarHBondContact O-N 3.39Å; G138-N142 PolarHBondContact O-N 3.43Å; G138-N142 VanDerWaalsContact O-N 3.08Å; G138-Y160 CarbonylContact C-O 2.93Å; G138-Y160 WeakPolarHBondContact CA-O 3.43Å
139	I	89.6	Confident	89.2	Confident	11 Å²	11	50.5 Å²	50.5	6%	0.056	27%	0.27	C	S	.	.	H	α-helix	trans	-63.4	-36.1	177.4	-63	170.4	0	0	0	109.8	N142 V143 V150 V152 V155 Y160 F161 V176	I139-N142 PolarHBondContact O-N 3.4Å; I139-V143 HydrophobicContact CG2-CG2 4.29Å; I139-V143 WeakPolarHBondContact O-CB 3.12Å; I139-V143 WeakPolarHBondContact O-CG2 3.46Å; I139-V143 PolarHBondContact O-N 3.13Å; I139-V150 HydrophobicContact CG2-CG1 4.46Å; I139-V152 HydrophobicContact CD1-CG2 4.03Å; I139-V152 HydrophobicContact CG2-CG2 4.5Å; I139-V155 HydrophobicContact CD1-CG1 4.43Å; I139-Y160 PolarHBondContact N-O 3.42Å; I139-F161 HydrophobicContact CD1-CB 4.47Å; I139-F161 HydrophobicContact CD1-CD2 4.02Å; I139-V176 HydrophobicContact CD1-CB 4.24Å; I139-V176 HydrophobicContact CD1-CG1 4.37Å; I139-V176 HydrophobicContact CD1-CG2 4.1Å; I139-V176 HydrophobicContact CG2-CG1 4.29Å
140	V	89.8	Confident	89.6	Confident	3 Å²	3	48.1 Å²	48.1	2%	0.018	25%	0.253	C	S	.	.	H	α-helix	trans	-62.9	-43.9	178.3	176.9	0	0	0	0	111.3	F96 L107 G138 V143 A144 V190 M192	F96-V140 HydrophobicContact CB-CG1 4.2Å; F96-V140 HydrophobicContact CD1-CG1 4.18Å; F96-V140 HydrophobicContact CD2-CG1 4.14Å; F96-V140 HydrophobicContact CD2-CG2 4.27Å; F96-V140 HydrophobicContact CE2-CG2 4.03Å; F96-V140 HydrophobicContact CG-CG1 3.91Å; F96-V140 HydrophobicContact CZ-CG2 4.22Å; L107-V140 HydrophobicContact CB-CG1 4.34Å; L107-V140 HydrophobicContact CD1-CG1 3.68Å; L107-V140 HydrophobicContact CG-CG1 4.47Å; G138-V140 PolarHBondContact O-N 3.42Å; V140-V143 PolarHBondContact O-N 3.43Å; V140-A144 PolarHBondContact O-N 2.88Å; V140-A144 VanDerWaalsContact O-N 3.08Å; V140-V190 HydrophobicContact CG1-CB 4.24Å; V140-V190 HydrophobicContact CG1-CG1 4.18Å; V140-M192 HydrophobicContact CG2-CE 4.43Å; V140-M192 HydrophobicContact CG2-SD 3.84Å
141	G	90.1	Very high	89.9	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-64	-45.7	173.9	0	0	0	0	0	112.7	L135 G138 V143 A144 L145	L135-G141 CarbonylContact O-C 3.12Å; L135-G141 WeakPolarHBondContact O-CA 3.32Å; G138-G141 PolarHBondContact O-N 3.39Å; G141-V143 VanDerWaalsContact C-N 3.34Å; G141-V143 PolarHBondContact O-N 2.81Å; G141-A144 WeakPolarHBondContact O-CB 3.43Å; G141-A144 PolarHBondContact O-N 3.07Å; G141-A144 VanDerWaalsContact O-N 3.1Å; G141-L145 PolarHBondContact O-N 2.94Å
142	N	91.1	Very high	90	Very high	29 Å²	29	48.3 Å²	48.3	16%	0.155	26%	0.255	C	S	.	.	H	α-helix	trans	-61.6	-39.5	176.8	-176.5	40.2	0	0	0	112.8	G138 I139 A144 L145 T146 Y160	G138-N142 PolarHBondContact O-N 3.43Å; G138-N142 VanDerWaalsContact O-N 3.08Å; I139-N142 PolarHBondContact O-N 3.4Å; N142-A144 VanDerWaalsContact C-N 3.32Å; N142-A144 PolarHBondContact O-N 3.21Å; N142-L145 PolarHBondContact O-N 2.89Å; N142-T146 WeakPolarHBondContact O-CB 3.41Å; N142-T146 WeakPolarHBondContact O-CG2 3.44Å; N142-T146 PolarHBondContact O-N 2.79Å; N142-T146 PolarHBondContact O-OG1 2.87Å; N142-T146 WeakPolarHBondContact OD1-CG2 3.42Å; N142-Y160 HydrophobicContact CB-CD1 4.22Å; N142-Y160 HydrophobicContact CB-CD2 4.47Å; N142-Y160 HydrophobicContact CB-CG 4.09Å; N142-Y160 WeakPolarHBondContact ND2-CD2 3.34Å
143	V	92.4	Very high	90	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-62.6	-41.1	174.3	169	0	0	0	0	110.9	I139 V140 G141 K147 V150 A178 P180 V190	I139-V143 HydrophobicContact CG2-CG2 4.29Å; I139-V143 WeakPolarHBondContact O-CB 3.12Å; I139-V143 WeakPolarHBondContact O-CG2 3.46Å; I139-V143 PolarHBondContact O-N 3.13Å; V140-V143 PolarHBondContact O-N 3.43Å; G141-V143 VanDerWaalsContact C-N 3.34Å; G141-V143 PolarHBondContact O-N 2.81Å; V143-K147 WeakPolarHBondContact O-CA 3.34Å; V143-K147 PolarHBondContact O-N 3.49Å; V143-V150 HydrophobicContact CG2-CB 3.86Å; V143-V150 HydrophobicContact CG2-CG2 3.58Å; V143-A178 HydrophobicContact CG2-CB 3.82Å; V143-P180 HydrophobicContact CG1-CB 4Å; V143-P180 HydrophobicContact CG1-CG 4.09Å; V143-V190 HydrophobicContact CB-CG1 4.36Å; V143-V190 HydrophobicContact CG1-CG1 3.86Å; V143-V190 HydrophobicContact CG1-CG2 4.31Å
144	A	91.3	Very high	90	Very high	6 Å²	6	53.7 Å²	53.7	5%	0.05	28%	0.278	C	S	.	.	H	α-helix	trans	-65.5	-41.7	176.8	0	0	0	0	0	112.9	L107 L135 V140 G141 N142 K147 L187 V190	L107-A144 HydrophobicContact CD1-CB 3.56Å; L135-A144 HydrophobicContact CD2-CB 3.61Å; V140-A144 PolarHBondContact O-N 2.88Å; V140-A144 VanDerWaalsContact O-N 3.08Å; G141-A144 WeakPolarHBondContact O-CB 3.43Å; G141-A144 PolarHBondContact O-N 3.07Å; G141-A144 VanDerWaalsContact O-N 3.1Å; N142-A144 VanDerWaalsContact C-N 3.32Å; N142-A144 PolarHBondContact O-N 3.21Å; A144-K147 WeakPolarHBondContact O-CG 3.24Å; A144-L187 HydrophobicContact CB-CD2 3.33Å; A144-V190 HydrophobicContact CB-CG2 4.36Å
145	L	90.3	Very high	89.9	Confident	104 Å²	104	51.3 Å²	51.3	55%	0.545	26%	0.262	S	S	.	.	H	α-helix	trans	-67.6	-48.5	176.9	-73.8	174.2	0	0	0	112.4	L135 G141 N142 K147	L135-L145 HydrophobicContact CB-CD2 4.08Å; L135-L145 HydrophobicContact CB-CG 4.15Å; L135-L145 HydrophobicContact CD1-CD2 4.45Å; L135-L145 WeakPolarHBondContact O-CD1 3.37Å; G141-L145 PolarHBondContact O-N 2.94Å; N142-L145 PolarHBondContact O-N 2.89Å; L145-K147 VanDerWaalsContact C-N 3.34Å
146	T	91	Very high	89.7	Confident	63 Å²	63	57 Å²	57	39%	0.387	29%	0.285	S	S	.	.	H	α-helix	trans	-76.9	-22.9	-176.2	58.5	0	0	0	0	112.9	N142 K148	N142-T146 WeakPolarHBondContact O-CB 3.41Å; N142-T146 WeakPolarHBondContact O-CG2 3.44Å; N142-T146 PolarHBondContact O-N 2.79Å; N142-T146 PolarHBondContact O-OG1 2.87Å; N142-T146 WeakPolarHBondContact OD1-CG2 3.42Å; T146-K148 PolarHBondContact O-N 2.84Å
147	K	92.2	Very high	89.6	Confident	94 Å²	94	58.4 Å²	58.4	41%	0.409	29%	0.287	S	S	.	.			trans	54.8	29.8	-174.4	-57.9	-177.8	-178.8	-178.8	0	112.6	V143 A144 L145 L182 K185	V143-K147 WeakPolarHBondContact O-CA 3.34Å; V143-K147 PolarHBondContact O-N 3.49Å; A144-K147 WeakPolarHBondContact O-CG 3.24Å; L145-K147 VanDerWaalsContact C-N 3.34Å; K147-L182 HydrophobicContact CB-CD1 4.12Å; K147-L182 HydrophobicContact CB-CD2 4.16Å; K147-L182 HydrophobicContact CD-CD2 4.1Å; K147-L182 HydrophobicContact CG-CD2 4.1Å; K147-K185 PolarHBondContact NZ-O 2.97Å
148	K	91	Very high	89.5	Confident	147 Å²	147	56 Å²	56	64%	0.639	28%	0.277	S	S	*	.	S	Bend	trans	-123.6	150.3	177.9	-68.7	-179.6	-176.8	179.2	0	110.2	T146	T146-K148 PolarHBondContact O-N 2.84Å
149	N	91.6	Very high	89.3	Confident	68 Å²	68	63.1 Å²	63.1	36%	0.364	31%	0.309	S	S	.	.			trans	-66.6	143	172.1	7.3	-39.8	0	0	0	109.8	A178 A179 E207 L211	N149-A178 WeakPolarHBondContact CA-O 3.34Å; N149-A179 HydrophobicContact CB-CB 4.14Å; N149-E207 PolarHBondContact ND2-OE1 3.27Å; N149-E207 VanDerWaalsContact ND2-OE1 3.16Å; N149-L211 WeakPolarHBondContact ND2-CD1 3.41Å
150	V	92	Very high	89.1	Confident	32 Å²	32	67.4 Å²	67.4	19%	0.194	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	127.1	-178.4	-179.7	0	0	0	0	108.6	I139 V143 V152 A178	I139-V150 HydrophobicContact CG2-CG1 4.46Å; V143-V150 HydrophobicContact CG2-CB 3.86Å; V143-V150 HydrophobicContact CG2-CG2 3.58Å; V150-V152 HydrophobicContact CG1-CG2 3.61Å; V150-A178 PolarHBondContact N-O 2.61Å; V150-A178 PolarHBondContact O-N 3.12Å
151	N	92.3	Very high	89	Confident	44 Å²	44	70.2 Å²	70.2	24%	0.235	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	105.9	172	-178	-1.4	0	0	0	108.5	L177 F202	N151-L177 HydrophobicContact CB-CD1 3.81Å; N151-F202 PolarHBondContact ND2-O 3.19Å; N151-F202 VanDerWaalsContact ND2-O 3.13Å
152	V	91.4	Very high	88.9	Confident	17 Å²	17	71.4 Å²	71.4	10%	0.103	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	115.6	179.5	-175	0	0	0	0	108.9	I139 V150 D154 V155 V176	I139-V152 HydrophobicContact CD1-CG2 4.03Å; I139-V152 HydrophobicContact CG2-CG2 4.5Å; V150-V152 HydrophobicContact CG1-CG2 3.61Å; V152-D154 VanDerWaalsContact CG1-O 3.27Å; V152-D154 WeakPolarHBondContact CG1-O 3.47Å; V152-V155 HydrophobicContact CG1-CG1 4.35Å; V152-V176 HydrophobicContact CB-CB 4.37Å; V152-V176 PolarHBondContact N-O 3.39Å; V152-V176 PolarHBondContact O-N 3.39Å
153	K	88.1	Confident	88.7	Confident	130 Å²	130	72.7 Å²	72.7	57%	0.565	36%	0.356	S	S	*	.	S	Bend	trans	-74.8	-40.5	-177.6	-63.3	-176.2	-179.8	-178.6	0	113.1	N175 H201	K153-N175 WeakPolarHBondContact O-CB 3.49Å; K153-H201 HydrophobicContact CB-CB 4.06Å; K153-H201 HydrophobicContact CG-CB 4.19Å
154	D	88	Confident	88.5	Confident	65 Å²	65	78 Å²	78	35%	0.348	38%	0.379	S	S	.	.			trans	-135	122.7	171.6	-171.3	-19.7	0	0	0	108.4	V152 K156 E157 R174	V152-D154 VanDerWaalsContact CG1-O 3.27Å; V152-D154 WeakPolarHBondContact CG1-O 3.47Å; D154-K156 VanDerWaalsContact C-N 3.27Å; D154-K156 PolarHBondContact O-N 3.48Å; D154-K156 WeakPolarHBondContact OD1-CB 3.49Å; D154-K156 PolarHBondContact OD1-N 3.32Å; D154-E157 HydrophobicContact CB-CG 4.28Å; D154-E157 PolarHBondContact O-N 2.81Å; D154-R174 WeakPolarHBondContact CA-O 2.73Å
155	V	86.9	Confident	88.3	Confident	3 Å²	3	78.2 Å²	78.2	2%	0.018	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-68.4	-24.9	-179.7	-65.2	0	0	0	0	113.6	I139 V152 E157 S158 F161 T173 R174 V176	I139-V155 HydrophobicContact CD1-CG1 4.43Å; V152-V155 HydrophobicContact CG1-CG1 4.35Å; V155-E157 PolarHBondContact O-N 3.29Å; V155-S158 WeakPolarHBondContact O-CB 3.4Å; V155-S158 PolarHBondContact O-N 3.29Å; V155-S158 VanDerWaalsContact O-N 3.13Å; V155-F161 HydrophobicContact CB-CB 4.39Å; V155-F161 HydrophobicContact CB-CD1 4.25Å; V155-F161 HydrophobicContact CB-CD2 3.61Å; V155-F161 HydrophobicContact CB-CE1 4.46Å; V155-F161 HydrophobicContact CB-CE2 3.86Å; V155-F161 HydrophobicContact CB-CG 3.82Å; V155-F161 HydrophobicContact CB-CZ 4.28Å; V155-F161 HydrophobicContact CG1-CD2 3.86Å; V155-F161 HydrophobicContact CG1-CE2 3.98Å; V155-F161 HydrophobicContact CG2-CD1 4.38Å; V155-F161 HydrophobicContact CG2-CD2 4.25Å; V155-F161 HydrophobicContact CG2-CE1 4.18Å; V155-F161 HydrophobicContact CG2-CE2 4.05Å; V155-F161 HydrophobicContact CG2-CG 4.4Å; V155-F161 HydrophobicContact CG2-CZ 4.01Å; V155-F161 WeakPolarHBondContact O-CB 3.14Å; V155-T173 HydrophobicContact CG1-CG2 3.93Å; V155-T173 WeakPolarHBondContact CG2-O 3.47Å; V155-R174 PolarHBondContact N-O 3.45Å; V155-R174 VanDerWaalsContact N-O 3.09Å; V155-V176 HydrophobicContact CG1-CG2 3.57Å
156	K	84	Confident	88.2	Confident	158 Å²	158	74.6 Å²	74.6	69%	0.687	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-69.4	-24.1	-179.7	-65.8	179.2	-177.5	171.8	0	112.4	D154 E172	D154-K156 VanDerWaalsContact C-N 3.27Å; D154-K156 PolarHBondContact O-N 3.48Å; D154-K156 WeakPolarHBondContact OD1-CB 3.49Å; D154-K156 PolarHBondContact OD1-N 3.32Å; K156-E172 IonicContact NZ-OE1 3.57Å
157	E	84.2	Confident	88.1	Confident	166 Å²	166	78.2 Å²	78.2	78%	0.776	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-86.3	-10.4	176	-60.2	-174.7	163.8	0	0	112.7	D154 V155	D154-E157 HydrophobicContact CB-CG 4.28Å; D154-E157 PolarHBondContact O-N 2.81Å; V155-E157 PolarHBondContact O-N 3.29Å
158	S	85.1	Confident	87.8	Confident	29 Å²	29	79 Å²	79	20%	0.203	38%	0.382	C	S	.	.			trans	-87.9	119.9	-176.9	-179.1	0	0	0	0	111.8	V155 Y160 F161	V155-S158 WeakPolarHBondContact O-CB 3.4Å; V155-S158 PolarHBondContact O-N 3.29Å; V155-S158 VanDerWaalsContact O-N 3.13Å; S158-Y160 PolarHBondContact O-N 3.09Å; S158-Y160 VanDerWaalsContact O-N 3.11Å; S158-Y160 PolarHBondContact OG-N 3Å; S158-F161 PolarHBondContact O-N 3.38Å
159	Q	83.9	Confident	87.6	Confident	156 Å²	156	74.2 Å²	74.2	73%	0.729	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-15.1	174.1	69.2	-176.1	-9.7	0	0	114.2
160	Y	84.3	Confident	87.5	Confident	101 Å²	101	80 Å²	80	40%	0.396	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	8.1	-177.4	-56	-70.4	0	0	0	112.6	G138 I139 N142 S158	G138-Y160 CarbonylContact C-O 2.93Å; G138-Y160 WeakPolarHBondContact CA-O 3.43Å; I139-Y160 PolarHBondContact N-O 3.42Å; N142-Y160 HydrophobicContact CB-CD1 4.22Å; N142-Y160 HydrophobicContact CB-CD2 4.47Å; N142-Y160 HydrophobicContact CB-CG 4.09Å; N142-Y160 WeakPolarHBondContact ND2-CD2 3.34Å; S158-Y160 PolarHBondContact O-N 3.09Å; S158-Y160 VanDerWaalsContact O-N 3.11Å; S158-Y160 PolarHBondContact OG-N 3Å
161	F	87.8	Confident	87.4	Confident	63 Å²	63	80.1 Å²	80.1	28%	0.276	39%	0.387	S	S	.	.			trans	-79.2	144.5	177.3	-177.8	-108.2	0	0	0	111.6	I139 V155 S158 T173	I139-F161 HydrophobicContact CD1-CB 4.47Å; I139-F161 HydrophobicContact CD1-CD2 4.02Å; V155-F161 HydrophobicContact CB-CB 4.39Å; V155-F161 HydrophobicContact CB-CD1 4.25Å; V155-F161 HydrophobicContact CB-CD2 3.61Å; V155-F161 HydrophobicContact CB-CE1 4.46Å; V155-F161 HydrophobicContact CB-CE2 3.86Å; V155-F161 HydrophobicContact CB-CG 3.82Å; V155-F161 HydrophobicContact CB-CZ 4.28Å; V155-F161 HydrophobicContact CG1-CD2 3.86Å; V155-F161 HydrophobicContact CG1-CE2 3.98Å; V155-F161 HydrophobicContact CG2-CD1 4.38Å; V155-F161 HydrophobicContact CG2-CD2 4.25Å; V155-F161 HydrophobicContact CG2-CE1 4.18Å; V155-F161 HydrophobicContact CG2-CE2 4.05Å; V155-F161 HydrophobicContact CG2-CG 4.4Å; V155-F161 HydrophobicContact CG2-CZ 4.01Å; V155-F161 WeakPolarHBondContact O-CB 3.14Å; S158-F161 PolarHBondContact O-N 3.38Å; F161-T173 HydrophobicContact CE2-CG2 4.15Å
162	S	88.4	Confident	87.2	Confident	25 Å²	25	83.9 Å²	83.9	18%	0.175	40%	0.404	C	S	.	.			trans	-129.8	125.6	175.5	174	0	0	0	0	109.2	F164	S162-F164 VanDerWaalsContact C-N 3.3Å
163	S	86.4	Confident	87.2	Confident	55 Å²	55	83.5 Å²	83.5	39%	0.385	40%	0.401	S	S	.	.			trans	-81.3	-5.9	179.8	58.6	0	0	0	0	113.8	V165 D166 E167	S163-V165 VanDerWaalsContact C-N 3.34Å; S163-V165 PolarHBondContact O-N 2.88Å; S163-D166 WeakPolarHBondContact O-CB 3.18Å; S163-D166 PolarHBondContact O-N 3.09Å; S163-D166 VanDerWaalsContact O-N 3.07Å; S163-E167 WeakPolarHBondContact CB-OE1 3.42Å; S163-E167 WeakPolarHBondContact O-CG 3.34Å; S163-E167 PolarHBondContact O-N 2.97Å; S163-E167 PolarHBondContact OG-OE1 3Å
164	F	87.5	Confident	87.3	Confident	111 Å²	111	83.7 Å²	83.7	49%	0.487	40%	0.399	S	S	.	.	H	α-helix	trans	-54.2	-44.8	-173.2	165.2	-109.4	0	0	0	113.7	I131 S162 L168	I131-F164 HydrophobicContact CG2-CE1 4.24Å; S162-F164 VanDerWaalsContact C-N 3.3Å; F164-L168 PolarHBondContact O-N 2.78Å; F164-L168 VanDerWaalsContact O-N 3.11Å
165	V	87.5	Confident	87.5	Confident	11 Å²	11	80.7 Å²	80.7	7%	0.067	38%	0.383	C	S	.	.	H	α-helix	trans	-75.9	-32.4	179.9	175.3	0	0	0	0	111.8	F112 I131 Y133 S163 E167 L168 T169	F112-V165 HydrophobicContact CE2-CG1 4.28Å; F112-V165 HydrophobicContact CZ-CG1 3.69Å; I131-V165 HydrophobicContact CD1-CG1 4.13Å; I131-V165 HydrophobicContact CD1-CG2 4.16Å; I131-V165 HydrophobicContact CG2-CG2 3.87Å; Y133-V165 HydrophobicContact CE2-CG2 4.03Å; Y133-V165 WeakPolarHBondContact OH-CG2 3.44Å; S163-V165 VanDerWaalsContact C-N 3.34Å; S163-V165 PolarHBondContact O-N 2.88Å; V165-E167 VanDerWaalsContact C-N 3.34Å; V165-L168 PolarHBondContact O-N 3.49Å; V165-T169 HydrophobicContact CG1-CG2 4.18Å; V165-T169 WeakPolarHBondContact O-CB 3.45Å; V165-T169 WeakPolarHBondContact O-CG2 3.45Å; V165-T169 PolarHBondContact O-N 3.25Å; V165-T169 PolarHBondContact O-OG1 3.36Å
166	D	88	Confident	87.7	Confident	28 Å²	28	80.7 Å²	80.7	15%	0.15	38%	0.382	C	S	.	.	H	α-helix	trans	-63.7	-41.4	174.7	-80.7	23.6	0	0	0	110.5	S163 T169 E170 Y171 T173	S163-D166 WeakPolarHBondContact O-CB 3.18Å; S163-D166 PolarHBondContact O-N 3.09Å; S163-D166 VanDerWaalsContact O-N 3.07Å; D166-T169 PolarHBondContact O-N 3.26Å; D166-E170 WeakPolarHBondContact O-CA 3.43Å; D166-E170 PolarHBondContact O-N 3.44Å; D166-Y171 WeakPolarHBondContact CA-O 3.08Å; D166-Y171 WeakPolarHBondContact CB-O 3.3Å; D166-Y171 PolarHBondContact O-N 2.81Å; D166-Y171 VanDerWaalsContact O-N 3.12Å; D166-T173 PolarHBondContact OD1-OG1 2.76Å; D166-T173 WeakPolarHBondContact OD2-CB 3.2Å; D166-T173 PolarHBondContact OD2-N 2.93Å; D166-T173 PolarHBondContact OD2-OG1 2.99Å; D166-T173 VanDerWaalsContact OD2-OG1 3.1Å
167	E	89	Confident	88.1	Confident	139 Å²	139	73.2 Å²	73.2	65%	0.65	35%	0.35	S	S	*	.	H	α-helix	trans	-65.4	-42	174.4	-72	168.7	-146.3	0	0	112.3	S163 V165 T169	S163-E167 WeakPolarHBondContact CB-OE1 3.42Å; S163-E167 WeakPolarHBondContact O-CG 3.34Å; S163-E167 PolarHBondContact O-N 2.97Å; S163-E167 PolarHBondContact OG-OE1 3Å; V165-E167 VanDerWaalsContact C-N 3.34Å; E167-T169 VanDerWaalsContact C-N 3.33Å; E167-T169 PolarHBondContact O-N 3.06Å
168	L	87.4	Confident	88.6	Confident	110 Å²	110	65.3 Å²	65.3	58%	0.576	31%	0.313	S	S	*	.	H	α-helix	trans	-68.2	-32.3	179	-174.4	66	0	0	0	112.9	I131 F164 V165	I131-L168 HydrophobicContact CD1-CD2 4.22Å; F164-L168 PolarHBondContact O-N 2.78Å; F164-L168 VanDerWaalsContact O-N 3.11Å; V165-L168 PolarHBondContact O-N 3.49Å
169	T	85.9	Confident	89	Confident	48 Å²	48	64 Å²	64	29%	0.294	30%	0.304	S	S	.	.	H	α-helix	trans	-105.9	0.1	-173.1	61.2	0	0	0	0	114	F112 V165 D166 E167 Y171	F112-T169 HydrophobicContact CE1-CG2 3.97Å; F112-T169 HydrophobicContact CZ-CG2 4.29Å; V165-T169 HydrophobicContact CG1-CG2 4.18Å; V165-T169 WeakPolarHBondContact O-CB 3.45Å; V165-T169 WeakPolarHBondContact O-CG2 3.45Å; V165-T169 PolarHBondContact O-N 3.25Å; V165-T169 PolarHBondContact O-OG1 3.36Å; D166-T169 PolarHBondContact O-N 3.26Å; E167-T169 VanDerWaalsContact C-N 3.33Å; E167-T169 PolarHBondContact O-N 3.06Å; T169-Y171 PolarHBondContact O-N 2.81Å
170	E	89.4	Confident	89.5	Confident	188 Å²	188	57.3 Å²	57.3	88%	0.879	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	41.6	-175	-58.4	-177.2	175.6	0	0	112.6	D166	D166-E170 WeakPolarHBondContact O-CA 3.43Å; D166-E170 PolarHBondContact O-N 3.44Å
171	Y	89.6	Confident	89.9	Confident	35 Å²	35	52.6 Å²	52.6	14%	0.137	26%	0.255	C	S	.	.			trans	-120.7	138.7	-176	-171.2	-99.9	0	0	0	111	D91 D166 T169 N195	D91-Y171 WeakPolarHBondContact OD2-CE2 3.31Å; D91-Y171 PolarHBondContact OD2-OH 2.74Å; D166-Y171 WeakPolarHBondContact CA-O 3.08Å; D166-Y171 WeakPolarHBondContact CB-O 3.3Å; D166-Y171 PolarHBondContact O-N 2.81Å; D166-Y171 VanDerWaalsContact O-N 3.12Å; T169-Y171 PolarHBondContact O-N 2.81Å; Y171-N195 WeakPolarHBondContact CE1-ND2 3.14Å; Y171-N195 PolarHBondContact OH-ND2 3.17Å
172	E	89.3	Confident	90	Very high	123 Å²	123	51.9 Å²	51.9	58%	0.575	25%	0.254	S	S	*	.			trans	-99.9	108.9	177	-170.8	180	-174.2	0	0	110.9	K156 N195	K156-E172 IonicContact NZ-OE1 3.57Å; E172-N195 PolarHBondContact O-ND2 3.21Å
173	T	90.6	Very high	89.9	Confident	9 Å²	9	53.2 Å²	53.2	6%	0.055	26%	0.259	C	S	.	.			trans	-80.1	128.8	171.9	-57.6	0	0	0	0	110.2	V155 F161 D166 V176 L194	V155-T173 HydrophobicContact CG1-CG2 3.93Å; V155-T173 WeakPolarHBondContact CG2-O 3.47Å; F161-T173 HydrophobicContact CE2-CG2 4.15Å; D166-T173 PolarHBondContact OD1-OG1 2.76Å; D166-T173 WeakPolarHBondContact OD2-CB 3.2Å; D166-T173 PolarHBondContact OD2-N 2.93Å; D166-T173 PolarHBondContact OD2-OG1 2.99Å; D166-T173 VanDerWaalsContact OD2-OG1 3.1Å; T173-V176 HydrophobicContact CG2-CG2 3.55Å; T173-L194 HydrophobicContact CG2-CD2 3.93Å
174	R	90.2	Very high	89.8	Confident	135 Å²	135	53.8 Å²	53.8	51%	0.509	28%	0.275	S	S	.	.			trans	-112.9	-46.4	179.9	-61	179.4	-69.3	164	0.9	112.5	D154 V155 N195	D154-R174 WeakPolarHBondContact CA-O 2.73Å; V155-R174 PolarHBondContact N-O 3.45Å; V155-R174 VanDerWaalsContact N-O 3.09Å; R174-N195 WeakPolarHBondContact CA-OD1 3.5Å; R174-N195 WeakPolarHBondContact CB-OD1 3.32Å; R174-N195 PolarHBondContact N-OD1 3.16Å
175	N	91.5	Very high	89.7	Confident	2 Å²	2	56.9 Å²	56.9	1%	0.011	29%	0.288	C	S	.	.			trans	-138.8	148.6	179	55.5	60	0	0	0	111.1	K153 N195 K196 P200 H201 F202	K153-N175 WeakPolarHBondContact O-CB 3.49Å; N175-N195 PolarHBondContact N-OD1 2.98Å; N175-N195 PolarHBondContact O-N 3.04Å; N175-N195 WeakPolarHBondContact OD1-CA 3.25Å; N175-N195 PolarHBondContact OD1-N 3.22Å; N175-K196 PolarHBondContact OD1-N 3.19Å; N175-P200 PolarHBondContact ND2-O 3.43Å; N175-H201 HydrophobicContact CB-CB 4.45Å; N175-F202 WeakPolarHBondContact OD1-CE2 3.46Å
176	V	92.7	Very high	89.7	Confident	2 Å²	2	61.3 Å²	61.3	1%	0.012	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	132.2	-170.8	-179.2	0	0	0	0	110.6	I139 V152 V155 T173 A178 M192 L194	I139-V176 HydrophobicContact CD1-CB 4.24Å; I139-V176 HydrophobicContact CD1-CG1 4.37Å; I139-V176 HydrophobicContact CD1-CG2 4.1Å; I139-V176 HydrophobicContact CG2-CG1 4.29Å; V152-V176 HydrophobicContact CB-CB 4.37Å; V152-V176 PolarHBondContact N-O 3.39Å; V152-V176 PolarHBondContact O-N 3.39Å; V155-V176 HydrophobicContact CG1-CG2 3.57Å; T173-V176 HydrophobicContact CG2-CG2 3.55Å; V176-A178 HydrophobicContact CG1-CB 4.46Å; V176-M192 HydrophobicContact CG1-CG 3.72Å; V176-M192 HydrophobicContact CG1-SD 3.75Å; V176-L194 HydrophobicContact CB-CD2 4.4Å; V176-L194 HydrophobicContact CG1-CD2 4.18Å; V176-L194 HydrophobicContact CG2-CD2 3.73Å
177	L	92.6	Very high	89.8	Confident	1 Å²	1	60.7 Å²	60.7	1%	0.005	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	118.4	167.9	179.2	65.6	0	0	0	108.8	I88 N151 M192 A193 F202 E207 F210	I88-L177 HydrophobicContact CD1-CD2 4.41Å; N151-L177 HydrophobicContact CB-CD1 3.81Å; L177-M192 CarbonylContact O-C 3.52Å; L177-M192 WeakPolarHBondContact O-CA 3.49Å; L177-A193 HydrophobicContact CB-CB 4.44Å; L177-A193 PolarHBondContact N-O 3.21Å; L177-A193 PolarHBondContact O-N 2.97Å; L177-F202 HydrophobicContact CB-CD2 3.72Å; L177-F202 HydrophobicContact CB-CE2 4Å; L177-F202 HydrophobicContact CB-CG 4.07Å; L177-F202 HydrophobicContact CD2-CG 4.42Å; L177-E207 HydrophobicContact CD1-CG 4.4Å; L177-F210 HydrophobicContact CD2-CB 3.79Å; L177-F210 HydrophobicContact CD2-CD1 3.81Å; L177-F210 HydrophobicContact CD2-CD2 4.03Å; L177-F210 HydrophobicContact CD2-CE1 4.34Å; L177-F210 HydrophobicContact CD2-CG 3.63Å; L177-F210 HydrophobicContact CG-CD1 4.02Å; L177-F210 HydrophobicContact CG-CE1 4.13Å; L177-F210 HydrophobicContact CG-CG 4.31Å
178	A	93.6	Very high	89.8	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	140.9	-177.7	0	0	0	0	0	111.6	V143 N149 V150 V176 I191 M192	V143-A178 HydrophobicContact CG2-CB 3.82Å; N149-A178 WeakPolarHBondContact CA-O 3.34Å; V150-A178 PolarHBondContact N-O 2.61Å; V150-A178 PolarHBondContact O-N 3.12Å; V176-A178 HydrophobicContact CG1-CB 4.46Å; A178-I191 WeakPolarHBondContact CA-O 3.48Å; A178-M192 HydrophobicContact CB-CB 4.46Å; A178-M192 HydrophobicContact CB-CG 4.34Å
179	A	94	Very high	90.1	Very high	1 Å²	1	49 Å²	49	1%	0.008	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	142.3	174.4	0	0	0	0	0	112.4	N149 I191 F210 L211 L214	N149-A179 HydrophobicContact CB-CB 4.14Å; A179-I191 PolarHBondContact N-O 2.78Å; A179-I191 PolarHBondContact O-N 3.3Å; A179-F210 HydrophobicContact CB-CD1 4.34Å; A179-F210 HydrophobicContact CB-CE1 3.54Å; A179-F210 HydrophobicContact CB-CZ 4.41Å; A179-L211 HydrophobicContact CB-CD2 4.39Å; A179-L214 HydrophobicContact CB-CD2 3.43Å; A179-L214 VanDerWaalsContact CB-CD2 3.43Å
180	P	94.4	Very high	90.5	Very high	16 Å²	16	46.7 Å²	46.7	10%	0.104	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	149.2	175.5	32.8	-29.7	0	0	0	111.5	V143 L182 L187	V143-P180 HydrophobicContact CG1-CB 4Å; V143-P180 HydrophobicContact CG1-CG 4.09Å; P180-L182 HydrophobicContact CB-CD2 4.27Å; P180-L182 HydrophobicContact CB-CG 4.5Å; P180-L187 HydrophobicContact CB-CD1 3.63Å
181	I	92.4	Very high	90.7	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.01	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	113.9	170.1	-57.3	-58.3	0	0	0	108.1	V188 A189 I191 L214 L221	I181-V188 HydrophobicContact CG2-CB 4.24Å; I181-V188 PolarHBondContact O-N 2.97Å; I181-A189 HydrophobicContact CB-CB 4.26Å; I181-A189 WeakPolarHBondContact CB-O 3.38Å; I181-A189 HydrophobicContact CG1-CB 4.35Å; I181-A189 PolarHBondContact N-O 3.39Å; I181-I191 HydrophobicContact CD1-CD1 4.36Å; I181-I191 HydrophobicContact CG1-CD1 4.31Å; I181-L214 HydrophobicContact CD1-CD1 3.79Å; I181-L214 HydrophobicContact CD1-CD2 3.94Å; I181-L214 HydrophobicContact CD1-CG 3.65Å; I181-L221 HydrophobicContact CG1-CD1 4.09Å; I181-L221 HydrophobicContact CG2-CB 4.34Å; I181-L221 HydrophobicContact CG2-CD1 4.37Å
182	L	89.7	Confident	90.9	Very high	48 Å²	48	37 Å²	37	25%	0.251	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	129.6	-174.9	-56.2	175.5	0	0	0	111.8	K147 P180 D186 L187 K222	K147-L182 HydrophobicContact CB-CD1 4.12Å; K147-L182 HydrophobicContact CB-CD2 4.16Å; K147-L182 HydrophobicContact CD-CD2 4.1Å; K147-L182 HydrophobicContact CG-CD2 4.1Å; P180-L182 HydrophobicContact CB-CD2 4.27Å; P180-L182 HydrophobicContact CB-CG 4.5Å; L182-D186 CarbonylContact C-O 3.6Å; L182-D186 VanDerWaalsContact CA-O 3.31Å; L182-D186 WeakPolarHBondContact CA-O 3.49Å; L182-L187 HydrophobicContact CD2-CB 4.36Å; L182-L187 HydrophobicContact CD2-CD1 3.77Å; L182-K222 WeakPolarHBondContact O-CE 3.39Å; L182-K222 PolarHBondContact O-NZ 3.5Å
183	N	86.6	Confident	91.1	Very high	53 Å²	53	31.1 Å²	31.1	28%	0.283	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	96.2	167	-172.7	30	0	0	0	109.8	K185 D186 V188 K222	N183-K185 PolarHBondContact O-N 3.11Å; N183-D186 PolarHBondContact N-O 2.9Å; N183-D186 PolarHBondContact O-N 3.15Å; N183-D186 VanDerWaalsContact O-N 3.09Å; N183-V188 HydrophobicContact CB-CG2 3.69Å; N183-K222 HydrophobicContact CB-CG 4.3Å
184	G	84.6	Confident	91.2	Very high	68 Å²	68	31.3 Å²	31.3	70%	0.701	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.7	-109.1	-169.8	0	0	0	0	0	110.6
185	K	85.3	Confident	91.2	Very high	175 Å²	175	25.1 Å²	25.1	76%	0.761	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.6	-16	176.4	-67.8	-176.1	-179.6	178.6	0	113.3	K147 N183	K147-K185 PolarHBondContact NZ-O 2.97Å; N183-K185 PolarHBondContact O-N 3.11Å
186	D	86.6	Confident	91.2	Very high	104 Å²	104	25.6 Å²	25.6	56%	0.556	15%	0.145	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-91.2	140.6	-169.3	-54.3	-36.2	0	0	0	110.9	L182 N183	L182-D186 CarbonylContact C-O 3.6Å; L182-D186 VanDerWaalsContact CA-O 3.31Å; L182-D186 WeakPolarHBondContact CA-O 3.49Å; N183-D186 PolarHBondContact N-O 2.9Å; N183-D186 PolarHBondContact O-N 3.15Å; N183-D186 VanDerWaalsContact O-N 3.09Å
187	L	89.8	Confident	90.8	Very high	15 Å²	15	29.6 Å²	29.6	8%	0.079	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	129.6	177.3	-177.4	71.1	0	0	0	109.2	Y98 L107 A144 P180 L182 V190	Y98-L187 VanDerWaalsContact CD1-O 3.27Å; Y98-L187 WeakPolarHBondContact CD1-O 3.34Å; Y98-L187 HydrophobicContact CD2-CD2 3.78Å; Y98-L187 HydrophobicContact CD2-CG 4.47Å; Y98-L187 HydrophobicContact CE2-CD2 4.42Å; Y98-L187 HydrophobicContact CG-CB 4.35Å; Y98-L187 HydrophobicContact CG-CD2 4.1Å; Y98-L187 HydrophobicContact CG-CG 4.31Å; L107-L187 HydrophobicContact CD2-CD2 4.37Å; A144-L187 HydrophobicContact CB-CD2 3.33Å; P180-L187 HydrophobicContact CB-CD1 3.63Å; L182-L187 HydrophobicContact CD2-CB 4.36Å; L182-L187 HydrophobicContact CD2-CD1 3.77Å; L187-V190 HydrophobicContact CD1-CG2 4.33Å; L187-V190 HydrophobicContact CD2-CG2 4.38Å
188	V	90.6	Very high	90.3	Very high	4 Å²	4	34 Å²	34	2%	0.024	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	-46	178.9	-178.9	0	0	0	0	110.8	Y98 I181 N183 H225	Y98-V188 PolarHBondContact N-O 3.37Å; Y98-V188 VanDerWaalsContact N-O 3.09Å; I181-V188 HydrophobicContact CG2-CB 4.24Å; I181-V188 PolarHBondContact O-N 2.97Å; N183-V188 HydrophobicContact CB-CG2 3.69Å; V188-H225 HydrophobicContact CG1-CB 3.97Å
189	A	92.5	Very high	89.6	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159	164.8	-175.6	0	0	0	0	0	111.4	L95 F96 M97 I181 L221	L95-A189 HydrophobicContact CD1-CB 3.92Å; F96-A189 CarbonylContact O-C 3.57Å; F96-A189 WeakPolarHBondContact O-CA 3.3Å; F96-A189 VanDerWaalsContact O-CB 3.25Å; F96-A189 WeakPolarHBondContact O-CB 3.38Å; M97-A189 HydrophobicContact SD-CB 4Å; I181-A189 HydrophobicContact CB-CB 4.26Å; I181-A189 WeakPolarHBondContact CB-O 3.38Å; I181-A189 HydrophobicContact CG1-CB 4.35Å; I181-A189 PolarHBondContact N-O 3.39Å; A189-L221 HydrophobicContact CB-CD1 4.3Å
190	V	94.6	Very high	89	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	129.5	169.3	179.7	0	0	0	0	108.4	F96 L107 V140 V143 A144 L187	F96-V190 HydrophobicContact CB-CB 4.39Å; F96-V190 PolarHBondContact N-O 3.5Å; F96-V190 PolarHBondContact O-N 3.05Å; L107-V190 HydrophobicContact CD1-CG2 4.42Å; L107-V190 HydrophobicContact CD2-CG2 4Å; V140-V190 HydrophobicContact CG1-CB 4.24Å; V140-V190 HydrophobicContact CG1-CG1 4.18Å; V143-V190 HydrophobicContact CB-CG1 4.36Å; V143-V190 HydrophobicContact CG1-CG1 3.86Å; V143-V190 HydrophobicContact CG1-CG2 4.31Å; A144-V190 HydrophobicContact CB-CG2 4.36Å; L187-V190 HydrophobicContact CD1-CG2 4.33Å; L187-V190 HydrophobicContact CD2-CG2 4.38Å
191	I	94.3	Very high	88.7	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	133.6	174.5	-70.5	170.6	0	0	0	108.4	L81 L95 A178 A179 I181 F210 L214 A217 L221	L81-I191 HydrophobicContact CD2-CD1 4.24Å; L81-I191 HydrophobicContact CD2-CG1 4.39Å; L81-I191 HydrophobicContact CD2-CG2 3.54Å; L95-I191 HydrophobicContact CD1-CD1 4Å; L95-I191 HydrophobicContact CD1-CG1 3.47Å; L95-I191 VanDerWaalsContact CD1-CG1 3.47Å; A178-I191 WeakPolarHBondContact CA-O 3.48Å; A179-I191 PolarHBondContact N-O 2.78Å; A179-I191 PolarHBondContact O-N 3.3Å; I181-I191 HydrophobicContact CD1-CD1 4.36Å; I181-I191 HydrophobicContact CG1-CD1 4.31Å; I191-F210 HydrophobicContact CG2-CE2 4.2Å; I191-F210 HydrophobicContact CG2-CZ 3.94Å; I191-L214 HydrophobicContact CB-CD1 4.01Å; I191-L214 HydrophobicContact CD1-CD1 3.41Å; I191-L214 VanDerWaalsContact CD1-CD1 3.41Å; I191-L214 HydrophobicContact CG1-CD1 4.23Å; I191-L214 HydrophobicContact CG2-CD1 4.2Å; I191-A217 HydrophobicContact CD1-CB 4.36Å; I191-L221 HydrophobicContact CD1-CD1 4.32Å
192	M	93.5	Very high	88.6	Confident	19 Å²	19	42.8 Å²	42.8	9%	0.094	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	136.8	-177.6	-173.5	171.5	68.8	0	0	110.4	C93 S94 F96 V140 V176 L177 A178 L194	C93-M192 CarbonylContact C-O 3.4Å; C93-M192 VanDerWaalsContact CA-O 3.27Å; C93-M192 WeakPolarHBondContact CA-O 3.15Å; S94-M192 PolarHBondContact N-O 3.26Å; S94-M192 PolarHBondContact O-N 2.96Å; F96-M192 HydrophobicContact CE2-CB 4.32Å; F96-M192 HydrophobicContact CE2-CE 3.89Å; F96-M192 HydrophobicContact CZ-CE 4.09Å; V140-M192 HydrophobicContact CG2-CE 4.43Å; V140-M192 HydrophobicContact CG2-SD 3.84Å; V176-M192 HydrophobicContact CG1-CG 3.72Å; V176-M192 HydrophobicContact CG1-SD 3.75Å; L177-M192 CarbonylContact O-C 3.52Å; L177-M192 WeakPolarHBondContact O-CA 3.49Å; A178-M192 HydrophobicContact CB-CB 4.46Å; A178-M192 HydrophobicContact CB-CG 4.34Å; M192-L194 HydrophobicContact CE-CD1 4.07Å; M192-L194 HydrophobicContact CE-CD2 3.71Å; M192-L194 HydrophobicContact CE-CG 4.11Å; M192-L194 HydrophobicContact CG-CD2 3.86Å; M192-L194 HydrophobicContact CG-CG 4.43Å; M192-L194 HydrophobicContact SD-CD2 3.79Å
193	A	93.3	Very high	88.6	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	136.9	169.4	0	0	0	0	0	109.6	I88 A90 R92 L177 F202 F210	I88-A193 HydrophobicContact CD1-CB 3.64Å; A90-A193 HydrophobicContact CB-CB 4.14Å; R92-A193 WeakPolarHBondContact O-CA 3.27Å; L177-A193 HydrophobicContact CB-CB 4.44Å; L177-A193 PolarHBondContact N-O 3.21Å; L177-A193 PolarHBondContact O-N 2.97Å; A193-F202 HydrophobicContact CB-CZ 4.36Å; A193-F210 HydrophobicContact CB-CE2 4.27Å
194	L	92.3	Very high	88.7	Confident	12 Å²	12	45.4 Å²	45.4	6%	0.063	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	143.2	-173.7	-58.8	179.9	0	0	0	110.3	D91 R92 T173 V176 M192	D91-L194 PolarHBondContact N-O 3.31Å; D91-L194 VanDerWaalsContact N-O 3.13Å; R92-L194 HydrophobicContact CB-CB 4.45Å; R92-L194 PolarHBondContact N-O 2.96Å; R92-L194 PolarHBondContact O-N 3.07Å; T173-L194 HydrophobicContact CG2-CD2 3.93Å; V176-L194 HydrophobicContact CB-CD2 4.4Å; V176-L194 HydrophobicContact CG1-CD2 4.18Å; V176-L194 HydrophobicContact CG2-CD2 3.73Å; M192-L194 HydrophobicContact CE-CD1 4.07Å; M192-L194 HydrophobicContact CE-CD2 3.71Å; M192-L194 HydrophobicContact CE-CG 4.11Å; M192-L194 HydrophobicContact CG-CD2 3.86Å; M192-L194 HydrophobicContact CG-CG 4.43Å; M192-L194 HydrophobicContact SD-CD2 3.79Å
195	N	91	Very high	88.7	Confident	6 Å²	6	49.7 Å²	49.7	3%	0.032	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	53.2	93.8	166.5	-73.4	-16.1	0	0	0	115	D91 Y171 E172 R174 N175 T197	D91-N195 HydrophobicContact CB-CB 3.99Å; D91-N195 WeakPolarHBondContact CB-O 3.39Å; D91-N195 PolarHBondContact N-O 3.2Å; Y171-N195 WeakPolarHBondContact CE1-ND2 3.14Å; Y171-N195 PolarHBondContact OH-ND2 3.17Å; E172-N195 PolarHBondContact O-ND2 3.21Å; R174-N195 WeakPolarHBondContact CA-OD1 3.5Å; R174-N195 WeakPolarHBondContact CB-OD1 3.32Å; R174-N195 PolarHBondContact N-OD1 3.16Å; N175-N195 PolarHBondContact N-OD1 2.98Å; N175-N195 PolarHBondContact O-N 3.04Å; N175-N195 WeakPolarHBondContact OD1-CA 3.25Å; N175-N195 PolarHBondContact OD1-N 3.22Å; N195-T197 PolarHBondContact O-N 3.15Å
196	K	90.2	Very high	88.7	Confident	12 Å²	12	42.1 Å²	42.1	5%	0.052	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	131.3	166.6	-171.3	76	-177	-169.3	0	110.8	I88 H89 N175 T198 F202 D206	I88-K196 VanDerWaalsContact O-CD 3.27Å; I88-K196 WeakPolarHBondContact O-CD 3.35Å; I88-K196 WeakPolarHBondContact O-CE 3.44Å; I88-K196 PolarHBondContact O-NZ 2.85Å; H89-K196 HydrophobicContact CB-CD 4.4Å; H89-K196 WeakPolarHBondContact O-CA 3.27Å; N175-K196 PolarHBondContact OD1-N 3.19Å; K196-T198 WeakPolarHBondContact CE-OG1 3.5Å; K196-F202 HydrophobicContact CB-CD1 4.26Å; K196-F202 HydrophobicContact CB-CE1 4.08Å; K196-F202 HydrophobicContact CB-CZ 4.3Å; K196-F202 HydrophobicContact CD-CD1 3.75Å; K196-F202 HydrophobicContact CD-CE1 3.86Å; K196-D206 IonicContact NZ-OD1 2.97Å; K196-D206 PolarHBondContact NZ-OD1 3.31Å; K196-D206 IonicContact NZ-OD2 3.99Å; K196-D206 PolarHBondContact NZ-OD2 2.82Å
197	T	85.7	Confident	88.7	Confident	85 Å²	85	39.5 Å²	39.5	52%	0.521	23%	0.231	S	C	.	.	S	Bend	trans	-92.9	-32.4	-178.6	58.7	0	0	0	0	113.2	H89 D91 N195	H89-T197 PolarHBondContact O-N 3.29Å; H89-T197 PolarHBondContact O-OG1 2.99Å; D91-T197 HydrophobicContact CB-CG2 4.07Å; N195-T197 PolarHBondContact O-N 3.15Å
198	T	80.7	Confident	88.6	Confident	93 Å²	93	44.2 Å²	44.2	57%	0.571	26%	0.256	S	S	*	.	S	Bend	trans	-93.1	0.8	-176.9	54.8	0	0	0	0	114.5	H89 K196	H89-T198 HydrophobicContact CB-CG2 3.88Å; K196-T198 WeakPolarHBondContact CE-OG1 3.5Å
199	G	79.5	Confident	88.2	Confident	32 Å²	32	46 Å²	46	33%	0.33	27%	0.265	S	S	.	.	S	Bend	trans	-168.4	177.4	-178.2	0	0	0	0	0	113.8
200	P	81.9	Confident	87.9	Confident	108 Å²	108	46 Å²	46	70%	0.701	27%	0.266	S	S	*	.	S	Bend	trans	-74.5	-27.5	-173.4	27.9	-34.1	0	0	0	114.4	N175	N175-P200 PolarHBondContact ND2-O 3.43Å
201	H	88.3	Confident	87.6	Confident	63 Å²	63	48.3 Å²	48.3	29%	0.292	28%	0.277	S	S	.	.	S	Bend	trans	-156	167.3	178.1	56.9	-88.5	0	0	0	111.1	K153 N175	K153-H201 HydrophobicContact CB-CB 4.06Å; K153-H201 HydrophobicContact CG-CB 4.19Å; N175-H201 HydrophobicContact CB-CB 4.45Å
202	F	90.6	Very high	87.1	Confident	2 Å²	2	52.6 Å²	52.6	1%	0.009	30%	0.296	C	S	.	.			trans	-70.1	132	176.2	-63.6	-74.7	0	0	0	111.8	I88 A90 N151 N175 L177 A193 K196 D206	I88-F202 HydrophobicContact CD1-CD1 4.43Å; I88-F202 HydrophobicContact CD1-CE1 3.94Å; A90-F202 HydrophobicContact CB-CE1 4.01Å; A90-F202 HydrophobicContact CB-CZ 4.04Å; N151-F202 PolarHBondContact ND2-O 3.19Å; N151-F202 VanDerWaalsContact ND2-O 3.13Å; N175-F202 WeakPolarHBondContact OD1-CE2 3.46Å; L177-F202 HydrophobicContact CB-CD2 3.72Å; L177-F202 HydrophobicContact CB-CE2 4Å; L177-F202 HydrophobicContact CB-CG 4.07Å; L177-F202 HydrophobicContact CD2-CG 4.42Å; A193-F202 HydrophobicContact CB-CZ 4.36Å; K196-F202 HydrophobicContact CB-CD1 4.26Å; K196-F202 HydrophobicContact CB-CE1 4.08Å; K196-F202 HydrophobicContact CB-CZ 4.3Å; K196-F202 HydrophobicContact CD-CD1 3.75Å; K196-F202 HydrophobicContact CD-CE1 3.86Å; F202-D206 HydrophobicContact CB-CB 4.35Å; F202-D206 HydrophobicContact CD1-CB 4.36Å
203	T	89.6	Confident	86.5	Confident	64 Å²	64	51.8 Å²	51.8	39%	0.393	29%	0.292	S	S	.	.			trans	-84	166.4	179.4	65.9	0	0	0	0	112	Q205 D206 E207	T203-Q205 PolarHBondContact O-N 2.85Å; T203-D206 PolarHBondContact N-OD2 2.93Å; T203-D206 WeakPolarHBondContact O-CB 3.4Å; T203-D206 PolarHBondContact O-N 2.87Å; T203-D206 VanDerWaalsContact O-N 3.12Å; T203-D206 VanDerWaalsContact OG1-CG 3.23Å; T203-D206 PolarHBondContact OG1-N 2.84Å; T203-D206 PolarHBondContact OG1-OD2 2.86Å; T203-E207 PolarHBondContact O-N 2.86Å; T203-E207 VanDerWaalsContact O-N 3.09Å
204	S	87	Confident	86.1	Confident	91 Å²	91	52.3 Å²	52.3	64%	0.636	30%	0.295	S	S	*	.	H	α-helix	trans	-62.8	-28.2	173	-56.3	0	0	0	0	112.8	E207 D208	S204-E207 PolarHBondContact O-N 3.42Å; S204-D208 PolarHBondContact O-N 3.03Å
205	Q	84.9	Confident	85.8	Confident	159 Å²	159	59.1 Å²	59.1	74%	0.743	32%	0.324	S	S	*	.	H	α-helix	trans	-69.3	-37.5	173.5	-68	178.5	-5.9	0	0	111.6	T203 E207 D208 L209	T203-Q205 PolarHBondContact O-N 2.85Å; Q205-E207 VanDerWaalsContact C-N 3.32Å; Q205-D208 PolarHBondContact O-N 3.49Å; Q205-L209 WeakPolarHBondContact O-CB 3.47Å; Q205-L209 PolarHBondContact O-N 3.21Å
206	D	85.3	Confident	85.4	Confident	15 Å²	15	59.9 Å²	59.9	8%	0.08	33%	0.328	C	S	.	.	H	α-helix	trans	-63.2	-40	173	-64.1	-51.3	0	0	0	111	I88 K196 F202 T203 L209 F210	I88-D206 HydrophobicContact CB-CB 4.44Å; I88-D206 HydrophobicContact CG2-CB 4.36Å; K196-D206 IonicContact NZ-OD1 2.97Å; K196-D206 PolarHBondContact NZ-OD1 3.31Å; K196-D206 IonicContact NZ-OD2 3.99Å; K196-D206 PolarHBondContact NZ-OD2 2.82Å; F202-D206 HydrophobicContact CB-CB 4.35Å; F202-D206 HydrophobicContact CD1-CB 4.36Å; T203-D206 PolarHBondContact N-OD2 2.93Å; T203-D206 WeakPolarHBondContact O-CB 3.4Å; T203-D206 PolarHBondContact O-N 2.87Å; T203-D206 VanDerWaalsContact O-N 3.12Å; T203-D206 VanDerWaalsContact OG1-CG 3.23Å; T203-D206 PolarHBondContact OG1-N 2.84Å; T203-D206 PolarHBondContact OG1-OD2 2.86Å; D206-L209 PolarHBondContact O-N 3.3Å; D206-F210 WeakPolarHBondContact O-CB 3.4Å; D206-F210 PolarHBondContact O-N 2.97Å
207	E	87.6	Confident	85	Confident	49 Å²	49	59.4 Å²	59.4	23%	0.229	33%	0.326	C	S	.	.	H	α-helix	trans	-62.9	-46	175.4	-174.4	175.9	-179.9	0	0	111.8	N149 L177 T203 S204 Q205 L209 F210 L211	N149-E207 PolarHBondContact ND2-OE1 3.27Å; N149-E207 VanDerWaalsContact ND2-OE1 3.16Å; L177-E207 HydrophobicContact CD1-CG 4.4Å; T203-E207 PolarHBondContact O-N 2.86Å; T203-E207 VanDerWaalsContact O-N 3.09Å; S204-E207 PolarHBondContact O-N 3.42Å; Q205-E207 VanDerWaalsContact C-N 3.32Å; E207-L209 VanDerWaalsContact C-N 3.35Å; E207-L209 PolarHBondContact O-N 3.25Å; E207-F210 WeakPolarHBondContact O-CB 3.48Å; E207-F210 PolarHBondContact O-N 3.2Å; E207-L211 HydrophobicContact CG-CD1 4.04Å; E207-L211 HydrophobicContact CG-CG 4.45Å; E207-L211 WeakPolarHBondContact O-CB 3.1Å; E207-L211 VanDerWaalsContact O-CG 3.24Å; E207-L211 WeakPolarHBondContact O-CG 3.42Å; E207-L211 PolarHBondContact O-N 2.88Å
208	D	86.4	Confident	85.1	Confident	114 Å²	114	56.1 Å²	56.1	61%	0.61	31%	0.307	S	S	*	.	H	α-helix	trans	-61.4	-42.9	176.8	-77.7	-25.7	0	0	0	112	S204 Q205 K212	S204-D208 PolarHBondContact O-N 3.03Å; Q205-D208 PolarHBondContact O-N 3.49Å; D208-K212 WeakPolarHBondContact O-CB 3.49Å; D208-K212 PolarHBondContact O-N 2.85Å
209	L	82.9	Confident	85.3	Confident	41 Å²	41	56.3 Å²	56.3	22%	0.215	30%	0.303	C	S	.	.	H	α-helix	trans	-67.1	-44.1	178	-168.3	66.7	0	0	0	111.3	L87 I88 Q205 D206 E207 L211 K212 Y213	L87-L209 HydrophobicContact CB-CD2 3.89Å; I88-L209 HydrophobicContact CG2-CB 4.44Å; I88-L209 HydrophobicContact CG2-CD2 4.24Å; Q205-L209 WeakPolarHBondContact O-CB 3.47Å; Q205-L209 PolarHBondContact O-N 3.21Å; D206-L209 PolarHBondContact O-N 3.3Å; E207-L209 VanDerWaalsContact C-N 3.35Å; E207-L209 PolarHBondContact O-N 3.25Å; L209-L211 PolarHBondContact O-N 2.77Å; L209-K212 PolarHBondContact O-N 2.73Å; L209-Y213 HydrophobicContact CD1-CD2 4.04Å; L209-Y213 HydrophobicContact CD1-CE2 3.81Å; L209-Y213 HydrophobicContact CG-CD2 4.31Å; L209-Y213 HydrophobicContact CG-CE2 4.44Å; L209-Y213 WeakPolarHBondContact O-CD2 3.21Å; L209-Y213 PolarHBondContact O-N 3.26Å; L209-Y213 VanDerWaalsContact O-N 3.1Å
210	F	87.1	Confident	85.4	Confident	2 Å²	2	55.5 Å²	55.5	1%	0.009	29%	0.292	C	S	.	.	H	α-helix	trans	-54.9	-53.4	174.3	-178.3	-108.9	0	0	0	110.3	L84 I88 L177 A179 I191 A193 D206 E207 K212 Y213 L214	L84-F210 HydrophobicContact CD1-CD2 3.6Å; L84-F210 HydrophobicContact CD1-CE2 4Å; L84-F210 HydrophobicContact CD1-CG 4.4Å; L84-F210 HydrophobicContact CD2-CD2 3.49Å; L84-F210 VanDerWaalsContact CD2-CD2 3.49Å; L84-F210 HydrophobicContact CD2-CE2 3.45Å; L84-F210 VanDerWaalsContact CD2-CE2 3.45Å; L84-F210 HydrophobicContact CG-CD2 3.88Å; L84-F210 HydrophobicContact CG-CE2 4.25Å; I88-F210 HydrophobicContact CD1-CD2 4.02Å; I88-F210 HydrophobicContact CG2-CB 4.4Å; L177-F210 HydrophobicContact CD2-CB 3.79Å; L177-F210 HydrophobicContact CD2-CD1 3.81Å; L177-F210 HydrophobicContact CD2-CD2 4.03Å; L177-F210 HydrophobicContact CD2-CE1 4.34Å; L177-F210 HydrophobicContact CD2-CG 3.63Å; L177-F210 HydrophobicContact CG-CD1 4.02Å; L177-F210 HydrophobicContact CG-CE1 4.13Å; L177-F210 HydrophobicContact CG-CG 4.31Å; A179-F210 HydrophobicContact CB-CD1 4.34Å; A179-F210 HydrophobicContact CB-CE1 3.54Å; A179-F210 HydrophobicContact CB-CZ 4.41Å; I191-F210 HydrophobicContact CG2-CE2 4.2Å; I191-F210 HydrophobicContact CG2-CZ 3.94Å; A193-F210 HydrophobicContact CB-CE2 4.27Å; D206-F210 WeakPolarHBondContact O-CB 3.4Å; D206-F210 PolarHBondContact O-N 2.97Å; E207-F210 WeakPolarHBondContact O-CB 3.48Å; E207-F210 PolarHBondContact O-N 3.2Å; F210-K212 VanDerWaalsContact C-N 3.35Å; F210-K212 PolarHBondContact O-N 2.93Å; F210-Y213 PolarHBondContact O-N 2.82Å; F210-L214 HydrophobicContact CE1-CD2 4.2Å; F210-L214 WeakPolarHBondContact O-CB 3.43Å; F210-L214 PolarHBondContact O-N 2.94Å
211	L	87.2	Confident	85.6	Confident	47 Å²	47	50.4 Å²	50.4	25%	0.246	26%	0.259	C	S	.	.	H	α-helix	trans	-64.1	-36.2	179.5	-68.4	172.2	0	0	0	112.9	N149 A179 E207 L209 L214 K215	N149-L211 WeakPolarHBondContact ND2-CD1 3.41Å; A179-L211 HydrophobicContact CB-CD2 4.39Å; E207-L211 HydrophobicContact CG-CD1 4.04Å; E207-L211 HydrophobicContact CG-CG 4.45Å; E207-L211 WeakPolarHBondContact O-CB 3.1Å; E207-L211 VanDerWaalsContact O-CG 3.24Å; E207-L211 WeakPolarHBondContact O-CG 3.42Å; E207-L211 PolarHBondContact O-N 2.88Å; L209-L211 PolarHBondContact O-N 2.77Å; L211-L214 HydrophobicContact CD2-CD2 4.34Å; L211-L214 PolarHBondContact O-N 2.87Å; L211-K215 WeakPolarHBondContact O-CG 3.24Å; L211-K215 PolarHBondContact O-N 3.07Å
212	K	83.8	Confident	85.5	Confident	91 Å²	91	50.5 Å²	50.5	40%	0.396	26%	0.258	S	S	.	.	H	α-helix	trans	-62.2	-48.6	178.1	-169.9	-173.6	-174.5	-175.4	0	111.4	E56 M60 D208 L209 F210	E56-K212 IonicContact OE1-NZ 3.91Å; E56-K212 PolarHBondContact OE1-NZ 2.97Å; E56-K212 IonicContact OE2-NZ 3.08Å; E56-K212 PolarHBondContact OE2-NZ 3.17Å; M60-K212 HydrophobicContact CE-CD 3.82Å; M60-K212 HydrophobicContact CE-CG 3.95Å; D208-K212 WeakPolarHBondContact O-CB 3.49Å; D208-K212 PolarHBondContact O-N 2.85Å; L209-K212 PolarHBondContact O-N 2.73Å; F210-K212 VanDerWaalsContact C-N 3.35Å; F210-K212 PolarHBondContact O-N 2.93Å
213	Y	81.3	Confident	85.1	Confident	2 Å²	2	55.2 Å²	55.2	1%	0.008	28%	0.282	C	S	.	.	H	α-helix	trans	-74.7	-32.7	178.3	-84.1	-92.5	0	0	0	112.5	E56 I59 M60 L63 L87 L209 F210 K215 I216 A217	E56-Y213 VanDerWaalsContact CG-OH 3.31Å; E56-Y213 WeakPolarHBondContact CG-OH 3.35Å; I59-Y213 HydrophobicContact CG2-CE1 4.09Å; M60-Y213 HydrophobicContact CE-CD1 4.46Å; M60-Y213 HydrophobicContact CE-CD2 4.12Å; M60-Y213 HydrophobicContact CE-CE1 4.07Å; M60-Y213 HydrophobicContact CE-CE2 3.68Å; M60-Y213 HydrophobicContact CE-CG 4.49Å; M60-Y213 HydrophobicContact CG-CE1 4.06Å; L63-Y213 HydrophobicContact CD1-CD1 4.12Å; L63-Y213 HydrophobicContact CD1-CE1 4.19Å; L87-Y213 HydrophobicContact CD1-CD1 4.05Å; L87-Y213 HydrophobicContact CD1-CD2 3.81Å; L87-Y213 HydrophobicContact CD1-CE1 3.7Å; L87-Y213 HydrophobicContact CD1-CE2 3.46Å; L87-Y213 VanDerWaalsContact CD1-CE2 3.46Å; L87-Y213 HydrophobicContact CD1-CG 4.1Å; L209-Y213 HydrophobicContact CD1-CD2 4.04Å; L209-Y213 HydrophobicContact CD1-CE2 3.81Å; L209-Y213 HydrophobicContact CG-CD2 4.31Å; L209-Y213 HydrophobicContact CG-CE2 4.44Å; L209-Y213 WeakPolarHBondContact O-CD2 3.21Å; L209-Y213 PolarHBondContact O-N 3.26Å; L209-Y213 VanDerWaalsContact O-N 3.1Å; F210-Y213 PolarHBondContact O-N 2.82Å; Y213-K215 PolarHBondContact O-N 2.66Å; Y213-I216 WeakPolarHBondContact O-CB 3.36Å; Y213-I216 PolarHBondContact O-N 3.09Å; Y213-A217 PolarHBondContact O-N 2.74Å
214	L	85.7	Confident	84.8	Confident	11 Å²	11	56.3 Å²	56.3	6%	0.058	28%	0.282	C	S	.	.	H	α-helix	trans	-60.7	-29.3	175.6	-166.3	71.2	0	0	0	112.5	A179 I181 I191 F210 L211 I216 A217 S218	A179-L214 HydrophobicContact CB-CD2 3.43Å; A179-L214 VanDerWaalsContact CB-CD2 3.43Å; I181-L214 HydrophobicContact CD1-CD1 3.79Å; I181-L214 HydrophobicContact CD1-CD2 3.94Å; I181-L214 HydrophobicContact CD1-CG 3.65Å; I191-L214 HydrophobicContact CB-CD1 4.01Å; I191-L214 HydrophobicContact CD1-CD1 3.41Å; I191-L214 VanDerWaalsContact CD1-CD1 3.41Å; I191-L214 HydrophobicContact CG1-CD1 4.23Å; I191-L214 HydrophobicContact CG2-CD1 4.2Å; F210-L214 HydrophobicContact CE1-CD2 4.2Å; F210-L214 WeakPolarHBondContact O-CB 3.43Å; F210-L214 PolarHBondContact O-N 2.94Å; L211-L214 HydrophobicContact CD2-CD2 4.34Å; L211-L214 PolarHBondContact O-N 2.87Å; L214-I216 PolarHBondContact O-N 3.1Å; L214-A217 PolarHBondContact O-N 2.77Å; L214-S218 VanDerWaalsContact O-CB 3.23Å; L214-S218 WeakPolarHBondContact O-CB 3.34Å; L214-S218 PolarHBondContact O-N 3.42Å
215	K	85.4	Confident	84.7	Confident	154 Å²	154	54 Å²	54	67%	0.67	26%	0.261	S	S	*	.	H	α-helix	trans	-57.5	-35.2	174	-74.5	168.3	-176	175.8	0	112.7	L211 Y213 S218 L219	L211-K215 WeakPolarHBondContact O-CG 3.24Å; L211-K215 PolarHBondContact O-N 3.07Å; Y213-K215 PolarHBondContact O-N 2.66Å; K215-S218 WeakPolarHBondContact O-CB 3.25Å; K215-L219 PolarHBondContact O-N 2.8Å
216	I	81.9	Confident	84.7	Confident	23 Å²	23	51.6 Å²	51.6	12%	0.118	25%	0.252	C	S	.	.	H	α-helix	trans	-71.5	-47.2	177.9	-59.8	176.9	0	0	0	110	M60 M67 I80 Y213 L214 S218 L219 N220	M60-I216 HydrophobicContact CB-CD1 4.45Å; M60-I216 HydrophobicContact CG-CD1 4.14Å; M60-I216 HydrophobicContact SD-CD1 4.33Å; M67-I216 HydrophobicContact CE-CG2 4.49Å; M67-I216 HydrophobicContact SD-CG2 3.3Å; M67-I216 WeakPolarHBondContact SD-CG2 3.41Å; I80-I216 HydrophobicContact CD1-CG2 4.24Å; Y213-I216 WeakPolarHBondContact O-CB 3.36Å; Y213-I216 PolarHBondContact O-N 3.09Å; L214-I216 PolarHBondContact O-N 3.1Å; I216-S218 VanDerWaalsContact C-N 3.3Å; I216-S218 PolarHBondContact O-N 3.43Å; I216-L219 PolarHBondContact O-N 2.69Å; I216-N220 PolarHBondContact O-N 2.86Å; I216-N220 VanDerWaalsContact O-N 3.12Å
217	A	82.9	Confident	84.7	Confident	1 Å²	1	54.4 Å²	54.4	1%	0.008	27%	0.274	C	S	.	.	H	α-helix	trans	-59.8	-41.1	173.8	0	0	0	0	0	111.9	I80 I191 Y213 L214 L219 N220 L221	I80-A217 HydrophobicContact CD1-CB 4.11Å; I80-A217 HydrophobicContact CG2-CB 4.02Å; I191-A217 HydrophobicContact CD1-CB 4.36Å; Y213-A217 PolarHBondContact O-N 2.74Å; L214-A217 PolarHBondContact O-N 2.77Å; A217-L219 PolarHBondContact O-N 3.49Å; A217-N220 PolarHBondContact O-N 2.79Å; A217-L221 WeakPolarHBondContact O-CB 3.4Å; A217-L221 WeakPolarHBondContact O-CG 3.27Å; A217-L221 PolarHBondContact O-N 3.12Å
218	S	86.7	Confident	84.5	Confident	17 Å²	17	55.4 Å²	55.4	12%	0.119	28%	0.276	C	S	.	.	H	α-helix	trans	-58.9	-45.6	176.7	-173.1	0	0	0	0	111.3	L214 K215 I216 K222	L214-S218 VanDerWaalsContact O-CB 3.23Å; L214-S218 WeakPolarHBondContact O-CB 3.34Å; L214-S218 PolarHBondContact O-N 3.42Å; K215-S218 WeakPolarHBondContact O-CB 3.25Å; I216-S218 VanDerWaalsContact C-N 3.3Å; I216-S218 PolarHBondContact O-N 3.43Å; S218-K222 VanDerWaalsContact O-CB 3.29Å; S218-K222 WeakPolarHBondContact O-CB 3.21Å; S218-K222 WeakPolarHBondContact O-CD 3.5Å; S218-K222 WeakPolarHBondContact O-CG 3.38Å; S218-K222 PolarHBondContact O-N 3.48Å; S218-K222 VanDerWaalsContact OG-CE 3.29Å; S218-K222 WeakPolarHBondContact OG-CE 3.16Å
219	L	84.7	Confident	84.5	Confident	96 Å²	96	52.2 Å²	52.2	50%	0.503	26%	0.258	S	S	.	.	H	α-helix	trans	-62.3	-45	176.7	-178.1	64.4	0	0	0	111.6	M67 K215 I216 A217 K222 I223	M67-L219 HydrophobicContact CE-CB 4.49Å; M67-L219 HydrophobicContact CE-CD2 4.31Å; M67-L219 HydrophobicContact CE-CG 4.39Å; K215-L219 PolarHBondContact O-N 2.8Å; I216-L219 PolarHBondContact O-N 2.69Å; A217-L219 PolarHBondContact O-N 3.49Å; L219-K222 PolarHBondContact O-N 2.7Å; L219-I223 HydrophobicContact CD1-CD1 4.13Å; L219-I223 HydrophobicContact CD1-CG1 4.46Å; L219-I223 HydrophobicContact CG-CD1 4.02Å; L219-I223 VanDerWaalsContact O-CG1 3.31Å; L219-I223 WeakPolarHBondContact O-CG1 3.32Å; L219-I223 PolarHBondContact O-N 2.81Å
220	N	83.1	Confident	84.7	Confident	16 Å²	16	56.3 Å²	56.3	9%	0.086	28%	0.276	C	S	.	.	H	α-helix	trans	-62.6	-49.4	178.8	-169.7	-98.8	0	0	0	112	M67 I216 A217 K222 I223 F224	M67-N220 HydrophobicContact CE-CB 3.71Å; M67-N220 HydrophobicContact CG-CB 4.38Å; M67-N220 HydrophobicContact SD-CB 4.27Å; I216-N220 PolarHBondContact O-N 2.86Å; I216-N220 VanDerWaalsContact O-N 3.12Å; A217-N220 PolarHBondContact O-N 2.79Å; N220-K222 VanDerWaalsContact C-N 3.3Å; N220-K222 PolarHBondContact O-N 3.47Å; N220-I223 PolarHBondContact O-N 3.16Å; N220-F224 PolarHBondContact O-N 3.25Å
221	L	85.5	Confident	84.7	Confident	1 Å²	1	61 Å²	61	1%	0.005	30%	0.301	C	S	.	.	H	α-helix	trans	-61.6	-37.6	178.2	-76	168.5	0	0	0	111.9	M73 V77 L95 M97 I181 A189 I191 A217 H225	M73-L221 HydrophobicContact CE-CD2 4.24Å; M73-L221 HydrophobicContact CG-CD2 4Å; M73-L221 HydrophobicContact SD-CD2 3.6Å; M73-L221 VanDerWaalsContact SD-CD2 3.6Å; V77-L221 HydrophobicContact CG2-CD2 3.95Å; V77-L221 HydrophobicContact CG2-CG 4.01Å; L95-L221 HydrophobicContact CD1-CD1 4.23Å; M97-L221 HydrophobicContact SD-CD2 4.46Å; I181-L221 HydrophobicContact CG1-CD1 4.09Å; I181-L221 HydrophobicContact CG2-CB 4.34Å; I181-L221 HydrophobicContact CG2-CD1 4.37Å; A189-L221 HydrophobicContact CB-CD1 4.3Å; I191-L221 HydrophobicContact CD1-CD1 4.32Å; A217-L221 WeakPolarHBondContact O-CB 3.4Å; A217-L221 WeakPolarHBondContact O-CG 3.27Å; A217-L221 PolarHBondContact O-N 3.12Å; L221-H225 VanDerWaalsContact O-CB 3.24Å; L221-H225 WeakPolarHBondContact O-CB 3.28Å; L221-H225 PolarHBondContact O-N 2.9Å
222	K	85.4	Confident	84.6	Confident	64 Å²	64	59.3 Å²	59.3	28%	0.278	29%	0.293	S	S	.	.	H	α-helix	trans	-64.9	-46.1	174.9	-77.7	170.7	-175.7	-172.8	0	112.8	L182 N183 S218 L219 N220 F224 H225 L226	L182-K222 WeakPolarHBondContact O-CE 3.39Å; L182-K222 PolarHBondContact O-NZ 3.5Å; N183-K222 HydrophobicContact CB-CG 4.3Å; S218-K222 VanDerWaalsContact O-CB 3.29Å; S218-K222 WeakPolarHBondContact O-CB 3.21Å; S218-K222 WeakPolarHBondContact O-CD 3.5Å; S218-K222 WeakPolarHBondContact O-CG 3.38Å; S218-K222 PolarHBondContact O-N 3.48Å; S218-K222 VanDerWaalsContact OG-CE 3.29Å; S218-K222 WeakPolarHBondContact OG-CE 3.16Å; L219-K222 PolarHBondContact O-N 2.7Å; N220-K222 VanDerWaalsContact C-N 3.3Å; N220-K222 PolarHBondContact O-N 3.47Å; K222-F224 VanDerWaalsContact C-N 3.3Å; K222-F224 PolarHBondContact O-N 3.46Å; K222-H225 PolarHBondContact O-N 2.92Å; K222-L226 VanDerWaalsContact O-CB 3.31Å; K222-L226 WeakPolarHBondContact O-CB 3.14Å; K222-L226 PolarHBondContact O-N 3.37Å
223	I	83.5	Confident	84.8	Confident	101 Å²	101	60.5 Å²	60.5	52%	0.518	30%	0.3	S	S	.	.	H	α-helix	trans	-61.8	-44.3	178.5	-69.4	166.5	0	0	0	109.8	L219 N220 L226 S227	L219-I223 HydrophobicContact CD1-CD1 4.13Å; L219-I223 HydrophobicContact CD1-CG1 4.46Å; L219-I223 HydrophobicContact CG-CD1 4.02Å; L219-I223 VanDerWaalsContact O-CG1 3.31Å; L219-I223 WeakPolarHBondContact O-CG1 3.32Å; L219-I223 PolarHBondContact O-N 2.81Å; N220-I223 PolarHBondContact O-N 3.16Å; I223-L226 PolarHBondContact O-N 3Å; I223-S227 WeakPolarHBondContact O-CB 3.29Å; I223-S227 PolarHBondContact O-N 2.93Å
224	F	82.7	Confident	85.2	Confident	87 Å²	87	63 Å²	63	38%	0.382	32%	0.316	S	S	.	.	H	α-helix	trans	-60.7	-49.3	176	177.8	-98.1	0	0	0	111.8	M73 N220 K222 L226 S227 Y228	M73-F224 HydrophobicContact CB-CB 4.25Å; M73-F224 HydrophobicContact CB-CD1 4.37Å; M73-F224 HydrophobicContact CB-CD2 3.63Å; M73-F224 HydrophobicContact CB-CE2 4.03Å; M73-F224 HydrophobicContact CB-CG 3.81Å; M73-F224 HydrophobicContact CE-CD1 3.98Å; M73-F224 HydrophobicContact CE-CE1 3.83Å; M73-F224 HydrophobicContact CE-CZ 4.3Å; M73-F224 HydrophobicContact CG-CB 4.05Å; M73-F224 HydrophobicContact CG-CD1 4.13Å; M73-F224 HydrophobicContact CG-CD2 4.21Å; M73-F224 HydrophobicContact CG-CG 3.85Å; N220-F224 PolarHBondContact O-N 3.25Å; K222-F224 VanDerWaalsContact C-N 3.3Å; K222-F224 PolarHBondContact O-N 3.46Å; F224-L226 VanDerWaalsContact C-N 3.34Å; F224-L226 PolarHBondContact O-N 3.42Å; F224-S227 PolarHBondContact O-N 3.14Å; F224-Y228 PolarHBondContact O-N 2.97Å
225	H	84.3	Confident	85.3	Confident	42 Å²	42	64 Å²	64	19%	0.194	32%	0.319	C	S	.	.	H	α-helix	trans	-60.7	-43.1	178.1	-177.6	66.1	0	0	0	111.7	V188 L221 K222 S227 Y228 L229	V188-H225 HydrophobicContact CG1-CB 3.97Å; L221-H225 VanDerWaalsContact O-CB 3.24Å; L221-H225 WeakPolarHBondContact O-CB 3.28Å; L221-H225 PolarHBondContact O-N 2.9Å; K222-H225 PolarHBondContact O-N 2.92Å; H225-S227 VanDerWaalsContact C-N 3.35Å; H225-S227 PolarHBondContact O-N 3Å; H225-Y228 WeakPolarHBondContact O-CB 3.38Å; H225-Y228 PolarHBondContact O-N 3.05Å; H225-L229 WeakPolarHBondContact O-CG 3.02Å; H225-L229 PolarHBondContact O-N 3.37Å
226	L	84.9	Confident	85.5	Confident	109 Å²	109	59.4 Å²	59.4	57%	0.571	30%	0.299	S	S	*	.	H	α-helix	trans	-63.3	-40.4	175.8	-175.7	63	0	0	0	112.1	K222 I223 F224 Y228 L229 H230	K222-L226 VanDerWaalsContact O-CB 3.31Å; K222-L226 WeakPolarHBondContact O-CB 3.14Å; K222-L226 PolarHBondContact O-N 3.37Å; I223-L226 PolarHBondContact O-N 3Å; F224-L226 VanDerWaalsContact C-N 3.34Å; F224-L226 PolarHBondContact O-N 3.42Å; L226-Y228 VanDerWaalsContact C-N 3.33Å; L226-L229 PolarHBondContact O-N 3.14Å; L226-H230 WeakPolarHBondContact O-CB 3.5Å; L226-H230 PolarHBondContact O-N 2.88Å
227	S	85.8	Confident	85.9	Confident	75 Å²	75	60.3 Å²	60.3	52%	0.524	31%	0.314	S	S	.	.	H	α-helix	trans	-65.9	-36.6	175.2	-172.6	0	0	0	0	112.2	I223 F224 H225 N231	I223-S227 WeakPolarHBondContact O-CB 3.29Å; I223-S227 PolarHBondContact O-N 2.93Å; F224-S227 PolarHBondContact O-N 3.14Å; H225-S227 VanDerWaalsContact C-N 3.35Å; H225-S227 PolarHBondContact O-N 3Å; S227-N231 WeakPolarHBondContact O-CB 3.45Å; S227-N231 PolarHBondContact O-N 2.81Å; S227-N231 VanDerWaalsContact O-N 3.07Å
228	Y	83.9	Confident	86.3	Confident	70 Å²	70	64 Å²	64	28%	0.275	33%	0.331	S	S	.	.	H	α-helix	trans	-63.4	-49.6	174	176.2	-104	0	0	0	111	F224 H225 L226 H230 N231 C232 D412	F224-Y228 PolarHBondContact O-N 2.97Å; H225-Y228 WeakPolarHBondContact O-CB 3.38Å; H225-Y228 PolarHBondContact O-N 3.05Å; L226-Y228 VanDerWaalsContact C-N 3.33Å; Y228-H230 VanDerWaalsContact C-N 3.34Å; Y228-H230 PolarHBondContact O-N 3.47Å; Y228-N231 WeakPolarHBondContact O-CB 3.43Å; Y228-N231 PolarHBondContact O-N 3.29Å; Y228-C232 PolarHBondContact O-N 3.27Å; Y228-C232 PolarHBondContact O-SG 2.8Å; Y228-D412 PolarHBondContact OH-OD2 2.81Å
229	L	85.4	Confident	86.5	Confident	46 Å²	46	63.1 Å²	63.1	24%	0.241	33%	0.325	C	S	.	.	H	α-helix	trans	-57.9	-45.5	176.2	-70.3	176.4	0	0	0	111.6	H225 L226 N231 C232 E233 H414	H225-L229 WeakPolarHBondContact O-CG 3.02Å; H225-L229 PolarHBondContact O-N 3.37Å; L226-L229 PolarHBondContact O-N 3.14Å; L229-N231 VanDerWaalsContact C-N 3.31Å; L229-N231 PolarHBondContact O-N 3.01Å; L229-C232 PolarHBondContact O-N 3.14Å; L229-E233 PolarHBondContact O-N 3.02Å; L229-H414 WeakPolarHBondContact CD2-NE2 3.49Å
230	H	88	Confident	86.8	Confident	128 Å²	128	60.9 Å²	60.9	59%	0.593	31%	0.313	S	S	*	.	H	α-helix	trans	-61.2	-38.9	177.6	-178.4	64.7	0	0	0	112.7	L226 Y228 T234	L226-H230 WeakPolarHBondContact O-CB 3.5Å; L226-H230 PolarHBondContact O-N 2.88Å; Y228-H230 VanDerWaalsContact C-N 3.34Å; Y228-H230 PolarHBondContact O-N 3.47Å; H230-T234 WeakPolarHBondContact O-CB 3.11Å; H230-T234 PolarHBondContact O-N 2.97Å; H230-T234 PolarHBondContact O-OG1 2.84Å
231	N	87.1	Confident	87.2	Confident	101 Å²	101	65.8 Å²	65.8	54%	0.54	34%	0.339	S	S	.	.	H	α-helix	trans	-64.7	-46.9	174.8	-171.4	-21.5	0	0	0	110.9	S227 Y228 L229 E233 T234 R235	S227-N231 WeakPolarHBondContact O-CB 3.45Å; S227-N231 PolarHBondContact O-N 2.81Å; S227-N231 VanDerWaalsContact O-N 3.07Å; Y228-N231 WeakPolarHBondContact O-CB 3.43Å; Y228-N231 PolarHBondContact O-N 3.29Å; L229-N231 VanDerWaalsContact C-N 3.31Å; L229-N231 PolarHBondContact O-N 3.01Å; N231-E233 PolarHBondContact O-N 2.91Å; N231-T234 PolarHBondContact O-N 2.86Å; N231-R235 VanDerWaalsContact O-CB 3.27Å; N231-R235 WeakPolarHBondContact O-CB 3.15Å; N231-R235 PolarHBondContact O-N 2.84Å
232	C	85.6	Confident	87.5	Confident	10 Å²	10	71 Å²	71	7%	0.068	36%	0.358	C	S	.	.	H	α-helix	trans	-57.5	-46.6	177.3	-64.3	0	0	0	0	112	Y228 L229 R235 K236	Y228-C232 PolarHBondContact O-N 3.27Å; Y228-C232 PolarHBondContact O-SG 2.8Å; L229-C232 PolarHBondContact O-N 3.14Å; C232-R235 PolarHBondContact O-N 3.49Å; C232-K236 WeakPolarHBondContact O-CB 3.46Å; C232-K236 PolarHBondContact O-N 3.45Å
233	E	86.8	Confident	87.7	Confident	116 Å²	116	67.9 Å²	67.9	54%	0.542	35%	0.345	S	S	.	.	H	α-helix	trans	-65.3	-42.7	177.6	-75.2	-58.8	143	0	0	112.7	L229 N231 R235 K236 G237	L229-E233 PolarHBondContact O-N 3.02Å; N231-E233 PolarHBondContact O-N 2.91Å; E233-R235 VanDerWaalsContact C-N 3.32Å; E233-R235 PolarHBondContact O-N 2.89Å; E233-K236 WeakPolarHBondContact O-CB 3.05Å; E233-K236 PolarHBondContact O-N 3.5Å; E233-G237 PolarHBondContact O-N 3.39Å
234	T	89.4	Confident	88	Confident	56 Å²	56	64 Å²	64	34%	0.344	33%	0.327	S	S	.	.	H	α-helix	trans	-63.5	-42	177.2	-57.9	0	0	0	0	111	H230 N231 G237 Q238	H230-T234 WeakPolarHBondContact O-CB 3.11Å; H230-T234 PolarHBondContact O-N 2.97Å; H230-T234 PolarHBondContact O-OG1 2.84Å; N231-T234 PolarHBondContact O-N 2.86Å; T234-G237 PolarHBondContact O-N 3.4Å; T234-Q238 WeakPolarHBondContact O-CG 3.48Å; T234-Q238 PolarHBondContact O-N 3.1Å
235	R	89.2	Confident	88.4	Confident	30 Å²	30	63.9 Å²	63.9	11%	0.113	33%	0.331	C	S	.	.	H	α-helix	trans	-61	-45	175.6	-172.8	174.2	73.9	163.1	1.5	111	N231 C232 E233 Q238 L239 Y268 D415	N231-R235 VanDerWaalsContact O-CB 3.27Å; N231-R235 WeakPolarHBondContact O-CB 3.15Å; N231-R235 PolarHBondContact O-N 2.84Å; C232-R235 PolarHBondContact O-N 3.49Å; E233-R235 VanDerWaalsContact C-N 3.32Å; E233-R235 PolarHBondContact O-N 2.89Å; R235-Q238 PolarHBondContact O-N 3.27Å; R235-L239 WeakPolarHBondContact O-CB 3.37Å; R235-L239 PolarHBondContact O-N 2.91Å; R235-Y268 VanDerWaalsContact CD-O 3.3Å; R235-Y268 WeakPolarHBondContact CD-O 3.35Å; R235-Y268 HydrophobicContact CG-CD1 4.2Å; R235-D415 IonicContact CZ-OD1 2.82Å; R235-D415 IonicContact NH2-OD1 3.92Å; R235-D415 PolarHBondContact NH2-OD1 2.74Å
236	K	89	Confident	88.6	Confident	58 Å²	58	64.3 Å²	64.3	25%	0.252	33%	0.332	S	S	.	.	H	α-helix	trans	-58.6	-48.8	174.4	-173.1	173.7	-177.7	171.7	0	112.1	C232 E233 Q238 L239 L240 L418	C232-K236 WeakPolarHBondContact O-CB 3.46Å; C232-K236 PolarHBondContact O-N 3.45Å; E233-K236 WeakPolarHBondContact O-CB 3.05Å; E233-K236 PolarHBondContact O-N 3.5Å; K236-Q238 PolarHBondContact O-N 2.93Å; K236-L239 PolarHBondContact O-N 3.15Å; K236-L240 HydrophobicContact CG-CD1 4.18Å; K236-L240 WeakPolarHBondContact O-CG 3.06Å; K236-L240 PolarHBondContact O-N 3.26Å; K236-L418 HydrophobicContact CB-CD1 3.6Å; K236-L418 HydrophobicContact CG-CD1 3.9Å
237	G	90	Very high	88.7	Confident	42 Å²	42	59.2 Å²	59.2	43%	0.433	31%	0.306	S	S	.	.	H	α-helix	trans	-60.3	-46.1	178	0	0	0	0	0	113.1	E233 T234 L241	E233-G237 PolarHBondContact O-N 3.39Å; T234-G237 PolarHBondContact O-N 3.4Å; G237-L241 VanDerWaalsContact O-CB 3.3Å; G237-L241 WeakPolarHBondContact O-CB 3.43Å; G237-L241 PolarHBondContact O-N 2.69Å
238	Q	91.1	Very high	88.6	Confident	78 Å²	78	61.7 Å²	61.7	36%	0.364	31%	0.307	S	S	.	.	H	α-helix	trans	-66	-44.3	178.4	-71.7	-178.9	1.5	0	0	112	T234 R235 K236 L240 L241 W242 Y268	T234-Q238 WeakPolarHBondContact O-CG 3.48Å; T234-Q238 PolarHBondContact O-N 3.1Å; R235-Q238 PolarHBondContact O-N 3.27Å; K236-Q238 PolarHBondContact O-N 2.93Å; Q238-L240 PolarHBondContact O-N 2.6Å; Q238-L241 PolarHBondContact O-N 2.83Å; Q238-W242 WeakPolarHBondContact O-CB 3.36Å; Q238-W242 PolarHBondContact O-N 2.97Å; Q238-Y268 HydrophobicContact CB-CE1 4.24Å; Q238-Y268 PolarHBondContact OE1-OH 3.26Å
239	L	91.3	Very high	88.6	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-58.5	-47.8	179	-178.7	151.3	0	0	0	111.3	R235 K236 S243 V265 L269 L418 L422	R235-L239 WeakPolarHBondContact O-CB 3.37Å; R235-L239 PolarHBondContact O-N 2.91Å; K236-L239 PolarHBondContact O-N 3.15Å; L239-S243 VanDerWaalsContact O-CB 3.26Å; L239-S243 WeakPolarHBondContact O-CB 3.34Å; L239-S243 PolarHBondContact O-N 3.12Å; L239-S243 PolarHBondContact O-OG 2.93Å; L239-V265 HydrophobicContact CD1-CB 4.42Å; L239-V265 HydrophobicContact CD1-CG2 4.44Å; L239-V265 HydrophobicContact CG-CB 4.03Å; L239-V265 HydrophobicContact CG-CG1 4.23Å; L239-V265 HydrophobicContact CG-CG2 4.23Å; L239-V265 WeakPolarHBondContact O-CG1 3.38Å; L239-L269 HydrophobicContact CD1-CD2 3.74Å; L239-L418 HydrophobicContact CD1-CD1 4.11Å; L239-L418 HydrophobicContact CD1-CD2 4.36Å; L239-L418 HydrophobicContact CD1-CG 4.22Å; L239-L422 HydrophobicContact CD1-CD2 4.49Å; L239-L422 HydrophobicContact CD2-CB 3.79Å; L239-L422 HydrophobicContact CD2-CD1 3.81Å; L239-L422 HydrophobicContact CD2-CD2 4.18Å; L239-L422 HydrophobicContact CD2-CG 4.11Å
240	L	90.4	Very high	88.5	Confident	49 Å²	49	62.1 Å²	62.1	26%	0.257	31%	0.31	S	S	.	.	H	α-helix	trans	-65.5	-42.4	178	-69.3	174.4	0	0	0	111.8	K236 Q238 S243 A244 A421 F425	K236-L240 HydrophobicContact CG-CD1 4.18Å; K236-L240 WeakPolarHBondContact O-CG 3.06Å; K236-L240 PolarHBondContact O-N 3.26Å; Q238-L240 PolarHBondContact O-N 2.6Å; L240-S243 PolarHBondContact O-N 2.83Å; L240-A244 VanDerWaalsContact O-CB 3.23Å; L240-A244 WeakPolarHBondContact O-CB 3.44Å; L240-A244 PolarHBondContact O-N 3.42Å; L240-A421 HydrophobicContact CD1-CB 4.32Å; L240-A421 HydrophobicContact CD2-CB 4.16Å; L240-F425 HydrophobicContact CD2-CB 4.17Å
241	L	91.6	Very high	88	Confident	119 Å²	119	58.2 Å²	58.2	62%	0.623	29%	0.294	S	S	*	.	H	α-helix	trans	-62.7	-47.2	179.9	-178.3	65.5	0	0	0	112.3	G237 Q238 A244 N245	G237-L241 VanDerWaalsContact O-CB 3.3Å; G237-L241 WeakPolarHBondContact O-CB 3.43Å; G237-L241 PolarHBondContact O-N 2.69Å; Q238-L241 PolarHBondContact O-N 2.83Å; L241-A244 PolarHBondContact O-N 2.91Å; L241-N245 WeakPolarHBondContact O-CB 3.42Å; L241-N245 PolarHBondContact O-N 2.99Å
242	W	91.5	Very high	87.5	Confident	109 Å²	109	57.3 Å²	57.3	41%	0.413	29%	0.292	S	S	.	.	H	α-helix	trans	-69.3	-40.1	179.4	-75.4	114.6	0	0	0	112	Q238 A244 N245 K246 T264 V265	Q238-W242 WeakPolarHBondContact O-CB 3.36Å; Q238-W242 PolarHBondContact O-N 2.97Å; W242-A244 VanDerWaalsContact C-N 3.3Å; W242-A244 PolarHBondContact O-N 2.85Å; W242-N245 PolarHBondContact O-N 2.86Å; W242-K246 PolarHBondContact O-N 3.19Å; W242-K246 VanDerWaalsContact O-N 3.15Å; W242-T264 HydrophobicContact CB-CG2 4.22Å; W242-T264 HydrophobicContact CE3-CG2 4.43Å; W242-V265 HydrophobicContact CB-CG1 3.98Å
243	S	91	Very high	87.3	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-58.5	-46.1	172.7	-59	0	0	0	0	110.4	L239 L240 K246 V247 V265 L422	L239-S243 VanDerWaalsContact O-CB 3.26Å; L239-S243 WeakPolarHBondContact O-CB 3.34Å; L239-S243 PolarHBondContact O-N 3.12Å; L239-S243 PolarHBondContact O-OG 2.93Å; L240-S243 PolarHBondContact O-N 2.83Å; S243-K246 PolarHBondContact O-N 3.25Å; S243-V247 VanDerWaalsContact O-CB 3.31Å; S243-V247 WeakPolarHBondContact O-CB 3.33Å; S243-V247 WeakPolarHBondContact O-CG2 3.3Å; S243-V247 PolarHBondContact O-N 3.44Å; S243-V265 WeakPolarHBondContact OG-CG1 3.49Å; S243-L422 WeakPolarHBondContact OG-CD1 3.48Å
244	A	89.7	Confident	87.1	Confident	18 Å²	18	55.6 Å²	55.6	15%	0.149	29%	0.286	C	S	.	.	H	α-helix	trans	-62.7	-45.8	179.2	0	0	0	0	0	112.9	L240 L241 W242 K246 V247 F248 F425	L240-A244 VanDerWaalsContact O-CB 3.23Å; L240-A244 WeakPolarHBondContact O-CB 3.44Å; L240-A244 PolarHBondContact O-N 3.42Å; L241-A244 PolarHBondContact O-N 2.91Å; W242-A244 VanDerWaalsContact C-N 3.3Å; W242-A244 PolarHBondContact O-N 2.85Å; A244-K246 VanDerWaalsContact C-N 3.26Å; A244-K246 PolarHBondContact O-N 2.98Å; A244-V247 PolarHBondContact O-N 2.87Å; A244-F248 HydrophobicContact CB-CD2 4.34Å; A244-F248 HydrophobicContact CB-CE2 4.19Å; A244-F248 WeakPolarHBondContact O-CD2 3.29Å; A244-F248 PolarHBondContact O-N 2.93Å; A244-F425 VanDerWaalsContact CA-CE1 3.45Å; A244-F425 HydrophobicContact CB-CE1 3.95Å; A244-F425 HydrophobicContact CB-CE2 3.98Å; A244-F425 HydrophobicContact CB-CZ 3.39Å
245	N	90.3	Very high	86.7	Confident	86 Å²	86	55.3 Å²	55.3	46%	0.46	28%	0.28	S	S	.	.	H	α-helix	trans	-54.1	-46	176.1	-171.6	-7.1	0	0	0	111.3	L241 W242 E249	L241-N245 WeakPolarHBondContact O-CB 3.42Å; L241-N245 PolarHBondContact O-N 2.99Å; W242-N245 PolarHBondContact O-N 2.86Å; N245-E249 PolarHBondContact O-N 3.22Å
246	K	88.8	Confident	86.5	Confident	51 Å²	51	60 Å²	60	22%	0.222	30%	0.298	C	S	.	.	H	α-helix	trans	-73.5	-34.1	179.6	-64.8	-57.8	173.4	-170.6	0	114.3	W242 S243 A244 E249 E250 K260 T264	W242-K246 PolarHBondContact O-N 3.19Å; W242-K246 VanDerWaalsContact O-N 3.15Å; S243-K246 PolarHBondContact O-N 3.25Å; A244-K246 VanDerWaalsContact C-N 3.26Å; A244-K246 PolarHBondContact O-N 2.98Å; K246-E249 WeakPolarHBondContact CD-OE2 3.2Å; K246-E249 IonicContact NZ-OE2 2.7Å; K246-E249 PolarHBondContact NZ-OE2 2.91Å; K246-E249 PolarHBondContact O-N 3.34Å; K246-E250 PolarHBondContact O-N 2.94Å; K246-K260 HydrophobicContact CB-CB 4.2Å; K246-T264 HydrophobicContact CG-CG2 4.3Å
247	V	86.9	Confident	86.5	Confident	1 Å²	1	57.2 Å²	57.2	1%	0.006	29%	0.286	C	S	.	.	H	α-helix	trans	-63.4	-40.7	173.9	148.4	0	0	0	0	112.1	S243 A244 E249 E250 Q257 A261 F425 L426 S429	S243-V247 VanDerWaalsContact O-CB 3.31Å; S243-V247 WeakPolarHBondContact O-CB 3.33Å; S243-V247 WeakPolarHBondContact O-CG2 3.3Å; S243-V247 PolarHBondContact O-N 3.44Å; A244-V247 PolarHBondContact O-N 2.87Å; V247-E249 VanDerWaalsContact C-N 3.34Å; V247-E250 CarbonylContact O-C 3.56Å; V247-Q257 HydrophobicContact CB-CG 4.22Å; V247-Q257 HydrophobicContact CG2-CG 3.67Å; V247-Q257 PolarHBondContact O-NE2 3.28Å; V247-A261 HydrophobicContact CG2-CB 4.32Å; V247-F425 HydrophobicContact CB-CE1 3.85Å; V247-F425 HydrophobicContact CB-CZ 4.13Å; V247-F425 HydrophobicContact CG1-CE1 4.03Å; V247-F425 HydrophobicContact CG1-CZ 3.9Å; V247-F425 HydrophobicContact CG2-CD1 4.48Å; V247-F425 HydrophobicContact CG2-CE1 3.68Å; V247-F425 HydrophobicContact CG2-CZ 4.4Å; V247-L426 HydrophobicContact CG2-CD2 4.36Å; V247-S429 VanDerWaalsContact CG1-CB 3.41Å
248	F	82.7	Confident	86.4	Confident	127 Å²	127	55.2 Å²	55.2	56%	0.557	27%	0.265	S	S	*	.	H	α-helix	trans	-79	-17.6	178.6	-70.4	-60.5	0	0	0	113.7	A244 L251	A244-F248 HydrophobicContact CB-CD2 4.34Å; A244-F248 HydrophobicContact CB-CE2 4.19Å; A244-F248 WeakPolarHBondContact O-CD2 3.29Å; A244-F248 PolarHBondContact O-N 2.93Å; F248-L251 HydrophobicContact CD1-CD2 4.42Å
249	E	85.4	Confident	86.3	Confident	105 Å²	105	54.3 Å²	54.3	49%	0.491	26%	0.261	S	S	.	.	H	α-helix	trans	-73.2	-35.9	173.2	-163.5	-169.1	126.1	0	0	111.8	N245 K246 V247 K260	N245-E249 PolarHBondContact O-N 3.22Å; K246-E249 WeakPolarHBondContact CD-OE2 3.2Å; K246-E249 IonicContact NZ-OE2 2.7Å; K246-E249 PolarHBondContact NZ-OE2 2.91Å; K246-E249 PolarHBondContact O-N 3.34Å; V247-E249 VanDerWaalsContact C-N 3.34Å; E249-K260 IonicContact OE1-NZ 3.48Å; E249-K260 PolarHBondContact OE1-NZ 2.98Å
250	E	82.2	Confident	86.2	Confident	20 Å²	20	56.3 Å²	56.3	9%	0.093	27%	0.27	C	S	.	.			trans	-117.3	103	-179.8	-163.9	80	-154	0	0	110.8	K246 V247 R256 Q257 K260	K246-E250 PolarHBondContact O-N 2.94Å; V247-E250 CarbonylContact O-C 3.56Å; E250-R256 VanDerWaalsContact CD-NH1 3.34Å; E250-R256 HydrophobicContact CG-CB 4.12Å; E250-R256 HydrophobicContact CG-CG 4.03Å; E250-R256 WeakPolarHBondContact OE1-CD 3.41Å; E250-R256 IonicContact OE1-CZ 3.9Å; E250-R256 IonicContact OE1-NE 2.74Å; E250-R256 IonicContact OE1-NH1 3.85Å; E250-R256 PolarHBondContact OE1-NH1 3.41Å; E250-R256 IonicContact OE2-CZ 2.69Å; E250-R256 IonicContact OE2-NE 3.59Å; E250-R256 IonicContact OE2-NH1 3.2Å; E250-R256 PolarHBondContact OE2-NH1 3.34Å; E250-R256 VanDerWaalsContact OE2-NH1 3.12Å; E250-Q257 HydrophobicContact CB-CB 4.5Å; E250-Q257 PolarHBondContact O-NE2 3.31Å; E250-K260 HydrophobicContact CB-CD 4.24Å; E250-K260 WeakPolarHBondContact OE2-CE 3.01Å; E250-K260 IonicContact OE2-NZ 2.8Å; E250-K260 PolarHBondContact OE2-NZ 2.9Å
251	L	77.6	Confident	86.3	Confident	46 Å²	46	54 Å²	54	24%	0.241	26%	0.257	C	S	.	.			trans	-102.7	-10.9	-171.8	-63.2	175.5	0	0	0	114.6	F248 T433 Y436	F248-L251 HydrophobicContact CD1-CD2 4.42Å; L251-T433 VanDerWaalsContact O-CA 3.31Å; L251-T433 WeakPolarHBondContact O-CA 3.38Å; L251-T433 WeakPolarHBondContact O-CG2 3.45Å; L251-Y436 HydrophobicContact CB-CD2 3.84Å; L251-Y436 HydrophobicContact CB-CE2 3.67Å; L251-Y436 HydrophobicContact CD1-CE2 3.83Å; L251-Y436 HydrophobicContact CD2-CE2 4.46Å; L251-Y436 HydrophobicContact CG-CE2 4.21Å; L251-Y436 WeakPolarHBondContact O-CD2 3.18Å
252	T	76.1	Confident	86.2	Confident	83 Å²	83	48.3 Å²	48.3	51%	0.509	23%	0.228	S	C	.	.	S	Bend	trans	-103.9	-26.3	-167.6	51.6	0	0	0	0	114.1
253	D	82.7	Confident	86.2	Confident	59 Å²	59	47.5 Å²	47.5	32%	0.316	23%	0.225	S	C	.	.			trans	-130.7	118.9	-173.4	178.8	3.5	0	0	0	111	E255 R256 Q257	D253-E255 VanDerWaalsContact C-N 3.3Å; D253-E255 PolarHBondContact O-N 3.24Å; D253-E255 WeakPolarHBondContact OD1-CB 3.26Å; D253-E255 PolarHBondContact OD1-N 2.78Å; D253-R256 HydrophobicContact CB-CB 4.13Å; D253-Q257 WeakPolarHBondContact O-CB 3.27Å; D253-Q257 PolarHBondContact O-N 3.47Å
254	I	82.3	Confident	86.2	Confident	30 Å²	30	49.5 Å²	49.5	15%	0.154	24%	0.238	C	C	.	.	H	α-helix	trans	-63.8	-36.3	-179.1	-164.4	176.1	0	0	0	111.9	Q257 F258 V397 A430 T433	I254-Q257 PolarHBondContact O-N 3.13Å; I254-F258 HydrophobicContact CD1-CE1 4.11Å; I254-F258 HydrophobicContact CD1-CZ 3.98Å; I254-F258 HydrophobicContact CG1-CD1 3.9Å; I254-F258 HydrophobicContact CG1-CE1 3.56Å; I254-F258 HydrophobicContact CG1-CZ 3.9Å; I254-F258 WeakPolarHBondContact O-CB 3.33Å; I254-F258 VanDerWaalsContact O-CD1 3.25Å; I254-F258 WeakPolarHBondContact O-CD1 3.48Å; I254-F258 WeakPolarHBondContact O-CG 3.33Å; I254-F258 PolarHBondContact O-N 2.62Å; I254-V397 HydrophobicContact CD1-CG1 3.71Å; I254-A430 HydrophobicContact CD1-CB 3.43Å; I254-A430 VanDerWaalsContact CD1-CB 3.43Å; I254-A430 HydrophobicContact CG1-CB 4.13Å; I254-T433 HydrophobicContact CB-CG2 4.42Å
255	E	81.8	Confident	86.2	Confident	50 Å²	50	48.7 Å²	48.7	23%	0.234	23%	0.231	C	C	.	.	H	α-helix	trans	-69.8	-48.9	-174.9	-57	-176.9	171.9	0	0	110.1	D253 Q257 F258 H259 L278 K316	D253-E255 VanDerWaalsContact C-N 3.3Å; D253-E255 PolarHBondContact O-N 3.24Å; D253-E255 WeakPolarHBondContact OD1-CB 3.26Å; D253-E255 PolarHBondContact OD1-N 2.78Å; E255-Q257 VanDerWaalsContact C-N 3.29Å; E255-Q257 PolarHBondContact O-N 2.7Å; E255-F258 PolarHBondContact O-N 3.42Å; E255-H259 VanDerWaalsContact O-CB 3.3Å; E255-H259 WeakPolarHBondContact O-CB 3.31Å; E255-H259 PolarHBondContact O-N 3.3Å; E255-L278 HydrophobicContact CG-CD1 4.1Å; E255-K316 HydrophobicContact CG-CD 4.44Å; E255-K316 IonicContact OE1-NZ 3.83Å; E255-K316 PolarHBondContact OE1-NZ 3.49Å; E255-K316 IonicContact OE2-NZ 3.68Å; E255-K316 PolarHBondContact OE2-NZ 2.61Å
256	R	84.9	Confident	86.2	Confident	128 Å²	128	47 Å²	47	48%	0.483	22%	0.218	S	C	.	.	H	α-helix	trans	-65.8	-36.9	177.9	-168.8	168.8	-175.8	-149.6	11.2	111.5	E250 D253 K260	E250-R256 VanDerWaalsContact CD-NH1 3.34Å; E250-R256 HydrophobicContact CG-CB 4.12Å; E250-R256 HydrophobicContact CG-CG 4.03Å; E250-R256 WeakPolarHBondContact OE1-CD 3.41Å; E250-R256 IonicContact OE1-CZ 3.9Å; E250-R256 IonicContact OE1-NE 2.74Å; E250-R256 IonicContact OE1-NH1 3.85Å; E250-R256 PolarHBondContact OE1-NH1 3.41Å; E250-R256 IonicContact OE2-CZ 2.69Å; E250-R256 IonicContact OE2-NE 3.59Å; E250-R256 IonicContact OE2-NH1 3.2Å; E250-R256 PolarHBondContact OE2-NH1 3.34Å; E250-R256 VanDerWaalsContact OE2-NH1 3.12Å; D253-R256 HydrophobicContact CB-CB 4.13Å; R256-K260 HydrophobicContact CG-CD 4.41Å; R256-K260 WeakPolarHBondContact O-CB 3.11Å; R256-K260 VanDerWaalsContact O-CG 3.31Å; R256-K260 WeakPolarHBondContact O-CG 3.49Å; R256-K260 PolarHBondContact O-N 2.99Å
257	Q	88.2	Confident	86.1	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-60.9	-51.6	174.5	-177	178.2	51.9	0	0	111.6	V247 E250 D253 I254 E255 H259 K260 A261 S429	V247-Q257 HydrophobicContact CB-CG 4.22Å; V247-Q257 HydrophobicContact CG2-CG 3.67Å; V247-Q257 PolarHBondContact O-NE2 3.28Å; E250-Q257 HydrophobicContact CB-CB 4.5Å; E250-Q257 PolarHBondContact O-NE2 3.31Å; D253-Q257 WeakPolarHBondContact O-CB 3.27Å; D253-Q257 PolarHBondContact O-N 3.47Å; I254-Q257 PolarHBondContact O-N 3.13Å; E255-Q257 VanDerWaalsContact C-N 3.29Å; E255-Q257 PolarHBondContact O-N 2.7Å; Q257-H259 PolarHBondContact O-N 3.02Å; Q257-K260 PolarHBondContact O-N 3.26Å; Q257-A261 WeakPolarHBondContact O-CB 3.48Å; Q257-A261 PolarHBondContact O-N 3.12Å; Q257-S429 PolarHBondContact OE1-OG 2.91Å
258	F	88.9	Confident	86.2	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-64.1	-42.9	179.3	-80.1	30	0	0	0	110.7	I254 E255 A261 L262 V276 L278 I389 L426	I254-F258 HydrophobicContact CD1-CE1 4.11Å; I254-F258 HydrophobicContact CD1-CZ 3.98Å; I254-F258 HydrophobicContact CG1-CD1 3.9Å; I254-F258 HydrophobicContact CG1-CE1 3.56Å; I254-F258 HydrophobicContact CG1-CZ 3.9Å; I254-F258 WeakPolarHBondContact O-CB 3.33Å; I254-F258 VanDerWaalsContact O-CD1 3.25Å; I254-F258 WeakPolarHBondContact O-CD1 3.48Å; I254-F258 WeakPolarHBondContact O-CG 3.33Å; I254-F258 PolarHBondContact O-N 2.62Å; E255-F258 PolarHBondContact O-N 3.42Å; F258-A261 PolarHBondContact O-N 3.23Å; F258-L262 HydrophobicContact CB-CD1 4.45Å; F258-L262 VanDerWaalsContact O-CB 3.27Å; F258-L262 WeakPolarHBondContact O-CB 3.11Å; F258-L262 WeakPolarHBondContact O-CD1 3.47Å; F258-L262 VanDerWaalsContact O-CG 3.28Å; F258-L262 WeakPolarHBondContact O-CG 3.47Å; F258-L262 PolarHBondContact O-N 2.86Å; F258-V276 HydrophobicContact CD2-CG1 4.45Å; F258-L278 HydrophobicContact CD2-CD2 3.77Å; F258-L278 HydrophobicContact CE2-CD2 3.76Å; F258-I389 HydrophobicContact CD2-CD1 4.32Å; F258-I389 HydrophobicContact CE2-CD1 3.81Å; F258-I389 HydrophobicContact CE2-CG2 4.01Å; F258-I389 HydrophobicContact CZ-CG2 4.04Å; F258-L426 HydrophobicContact CD1-CB 4.41Å; F258-L426 HydrophobicContact CD1-CD2 4.03Å; F258-L426 HydrophobicContact CE1-CB 3.94Å; F258-L426 HydrophobicContact CE1-CD2 4.33Å; F258-L426 VanDerWaalsContact CE1-O 3.31Å; F258-L426 WeakPolarHBondContact CE1-O 3.26Å; F258-L426 HydrophobicContact CE2-CB 4.28Å; F258-L426 HydrophobicContact CG-CD2 4.38Å; F258-L426 HydrophobicContact CZ-CB 3.87Å; F258-L426 WeakPolarHBondContact CZ-O 3.42Å
259	H	88.2	Confident	86.3	Confident	59 Å²	59	45.6 Å²	45.6	27%	0.273	23%	0.226	S	C	.	.	H	α-helix	trans	-59.5	-51	177.4	176.7	66.7	0	0	0	112.7	E255 Q257 A261 Y263 Y320	E255-H259 VanDerWaalsContact O-CB 3.3Å; E255-H259 WeakPolarHBondContact O-CB 3.31Å; E255-H259 PolarHBondContact O-N 3.3Å; Q257-H259 PolarHBondContact O-N 3.02Å; H259-A261 VanDerWaalsContact C-N 3.35Å; H259-A261 PolarHBondContact O-N 3.08Å; H259-Y263 WeakPolarHBondContact O-CB 3.23Å; H259-Y263 PolarHBondContact O-N 3.41Å; H259-Y320 WeakPolarHBondContact CA-OH 3.32Å; H259-Y320 AromaticContact ND1-CE1 3.87Å; H259-Y320 AromaticContact ND1-CZ 4Å; H259-Y320 PolarHBondContact ND1-OH 2.88Å
260	K	89.3	Confident	86.5	Confident	42 Å²	42	42.8 Å²	42.8	18%	0.183	21%	0.214	C	C	.	.	H	α-helix	trans	-60.4	-43.8	178.6	-76.9	179.2	170.9	-172.5	0	111.8	K246 E249 E250 R256 Q257 T264	K246-K260 HydrophobicContact CB-CB 4.2Å; E249-K260 IonicContact OE1-NZ 3.48Å; E249-K260 PolarHBondContact OE1-NZ 2.98Å; E250-K260 HydrophobicContact CB-CD 4.24Å; E250-K260 WeakPolarHBondContact OE2-CE 3.01Å; E250-K260 IonicContact OE2-NZ 2.8Å; E250-K260 PolarHBondContact OE2-NZ 2.9Å; R256-K260 HydrophobicContact CG-CD 4.41Å; R256-K260 WeakPolarHBondContact O-CB 3.11Å; R256-K260 VanDerWaalsContact O-CG 3.31Å; R256-K260 WeakPolarHBondContact O-CG 3.49Å; R256-K260 PolarHBondContact O-N 2.99Å; Q257-K260 PolarHBondContact O-N 3.26Å; K260-T264 VanDerWaalsContact O-CB 3.31Å; K260-T264 WeakPolarHBondContact O-CB 3.41Å; K260-T264 PolarHBondContact O-N 2.85Å; K260-T264 PolarHBondContact O-OG1 3.27Å
261	A	91.4	Very high	86.9	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-63.7	-55.8	179.7	0	0	0	0	0	111.2	V247 Q257 F258 H259 Y263 T264 V265 L426	V247-A261 HydrophobicContact CG2-CB 4.32Å; Q257-A261 WeakPolarHBondContact O-CB 3.48Å; Q257-A261 PolarHBondContact O-N 3.12Å; F258-A261 PolarHBondContact O-N 3.23Å; H259-A261 VanDerWaalsContact C-N 3.35Å; H259-A261 PolarHBondContact O-N 3.08Å; A261-Y263 PolarHBondContact O-N 2.92Å; A261-T264 PolarHBondContact O-N 2.74Å; A261-V265 WeakPolarHBondContact O-CG2 3.28Å; A261-V265 PolarHBondContact O-N 3.41Å; A261-V265 VanDerWaalsContact O-N 3.11Å; A261-L426 HydrophobicContact CB-CD2 3.83Å
262	L	91.1	Very high	87.5	Confident	1 Å²	1	41.4 Å²	41.4	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-63.5	-41.4	-176.5	-71.4	166.8	0	0	0	112.7	F258 T264 V265 R266 Y274 V276 Y320 L422 L426	F258-L262 HydrophobicContact CB-CD1 4.45Å; F258-L262 VanDerWaalsContact O-CB 3.27Å; F258-L262 WeakPolarHBondContact O-CB 3.11Å; F258-L262 WeakPolarHBondContact O-CD1 3.47Å; F258-L262 VanDerWaalsContact O-CG 3.28Å; F258-L262 WeakPolarHBondContact O-CG 3.47Å; F258-L262 PolarHBondContact O-N 2.86Å; L262-T264 VanDerWaalsContact C-N 3.31Å; L262-T264 PolarHBondContact O-N 2.87Å; L262-V265 PolarHBondContact O-N 3.35Å; L262-R266 PolarHBondContact O-N 3.39Å; L262-Y274 HydrophobicContact CB-CE2 4.1Å; L262-Y274 HydrophobicContact CD2-CE2 4.35Å; L262-Y274 PolarHBondContact O-OH 3.09Å; L262-Y274 VanDerWaalsContact O-OH 3.09Å; L262-V276 HydrophobicContact CD1-CB 4.36Å; L262-V276 HydrophobicContact CD1-CG2 3.54Å; L262-Y320 HydrophobicContact CB-CE1 4.41Å; L262-Y320 HydrophobicContact CB-CE2 4.35Å; L262-Y320 HydrophobicContact CD1-CE2 4.17Å; L262-L422 HydrophobicContact CD2-CD2 4Å; L262-L426 HydrophobicContact CD1-CD1 4.4Å; L262-L426 HydrophobicContact CD2-CD1 3.97Å; L262-L426 HydrophobicContact CG-CD1 4.13Å
263	Y	89.9	Confident	88.2	Confident	91 Å²	91	38 Å²	38	36%	0.357	19%	0.185	S	C	.	.	H	α-helix	trans	-63.8	-37.9	176.3	179.9	-108.9	0	0	0	112.3	H259 A261 R266 I328	H259-Y263 WeakPolarHBondContact O-CB 3.23Å; H259-Y263 PolarHBondContact O-N 3.41Å; A261-Y263 PolarHBondContact O-N 2.92Å; Y263-R266 VanDerWaalsContact CE2-CZ 3.42Å; Y263-R266 VanDerWaalsContact CZ-NH1 3.28Å; Y263-R266 WeakPolarHBondContact O-CD 3.48Å; Y263-R266 VanDerWaalsContact O-CG 3.29Å; Y263-R266 WeakPolarHBondContact O-CG 3.25Å; Y263-R266 PolarHBondContact O-NH1 3.49Å; Y263-R266 PolarHBondContact OH-NH2 2.88Å; Y263-I328 HydrophobicContact CD2-CD1 3.4Å; Y263-I328 VanDerWaalsContact CD2-CD1 3.4Å; Y263-I328 HydrophobicContact CE2-CD1 3.64Å; Y263-I328 HydrophobicContact CG-CD1 4.33Å
264	T	90.8	Very high	88.7	Confident	43 Å²	43	35.3 Å²	35.3	26%	0.264	17%	0.171	S	C	.	.	H	α-helix	trans	-69.1	-38.6	-179.5	-59.4	0	0	0	0	111.5	W242 K246 K260 A261 L262	W242-T264 HydrophobicContact CB-CG2 4.22Å; W242-T264 HydrophobicContact CE3-CG2 4.43Å; K246-T264 HydrophobicContact CG-CG2 4.3Å; K260-T264 VanDerWaalsContact O-CB 3.31Å; K260-T264 WeakPolarHBondContact O-CB 3.41Å; K260-T264 PolarHBondContact O-N 2.85Å; K260-T264 PolarHBondContact O-OG1 3.27Å; A261-T264 PolarHBondContact O-N 2.74Å; L262-T264 VanDerWaalsContact C-N 3.31Å; L262-T264 PolarHBondContact O-N 2.87Å
265	V	90.9	Very high	89.3	Confident	0 Å²	0	34 Å²	34	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-90.7	2.3	-175.9	-56	0	0	0	0	114.6	L239 W242 S243 A261 L262 A267 Y268 L269 L422	L239-V265 HydrophobicContact CD1-CB 4.42Å; L239-V265 HydrophobicContact CD1-CG2 4.44Å; L239-V265 HydrophobicContact CG-CB 4.03Å; L239-V265 HydrophobicContact CG-CG1 4.23Å; L239-V265 HydrophobicContact CG-CG2 4.23Å; L239-V265 WeakPolarHBondContact O-CG1 3.38Å; W242-V265 HydrophobicContact CB-CG1 3.98Å; S243-V265 WeakPolarHBondContact OG-CG1 3.49Å; A261-V265 WeakPolarHBondContact O-CG2 3.28Å; A261-V265 PolarHBondContact O-N 3.41Å; A261-V265 VanDerWaalsContact O-N 3.11Å; L262-V265 PolarHBondContact O-N 3.35Å; V265-A267 PolarHBondContact O-N 3.12Å; V265-A267 VanDerWaalsContact O-N 3.07Å; V265-Y268 HydrophobicContact CB-CD2 4.37Å; V265-Y268 WeakPolarHBondContact O-CA 3.35Å; V265-Y268 WeakPolarHBondContact O-CB 3.4Å; V265-Y268 PolarHBondContact O-N 3.25Å; V265-L269 HydrophobicContact CG2-CD1 4.47Å; V265-L269 HydrophobicContact CG2-CD2 4.47Å; V265-L269 HydrophobicContact CG2-CG 4.42Å; V265-L269 PolarHBondContact O-N 3.19Å; V265-L422 HydrophobicContact CG2-CD2 4.4Å
266	R	89.8	Confident	89.8	Confident	52 Å²	52	31.7 Å²	31.7	20%	0.196	15%	0.154	C	C	.	.	H	α-helix	trans	-53	-34.1	-176.1	78.4	-174.4	-176.2	-87.1	11.5	114.8	L262 Y263 Y268 L269 Y274 L322 E326	L262-R266 PolarHBondContact O-N 3.39Å; Y263-R266 VanDerWaalsContact CE2-CZ 3.42Å; Y263-R266 VanDerWaalsContact CZ-NH1 3.28Å; Y263-R266 WeakPolarHBondContact O-CD 3.48Å; Y263-R266 VanDerWaalsContact O-CG 3.29Å; Y263-R266 WeakPolarHBondContact O-CG 3.25Å; Y263-R266 PolarHBondContact O-NH1 3.49Å; Y263-R266 PolarHBondContact OH-NH2 2.88Å; R266-Y268 PolarHBondContact O-N 3.47Å; R266-L269 PolarHBondContact O-N 3.23Å; R266-Y274 HydrophobicContact CB-CE1 4.34Å; R266-Y274 WeakPolarHBondContact CB-OH 3.3Å; R266-L322 HydrophobicContact CB-CD1 4.16Å; R266-L322 HydrophobicContact CB-CD2 4.2Å; R266-L322 HydrophobicContact CG-CD2 4.31Å; R266-E326 IonicContact CZ-OE2 3.27Å; R266-E326 IonicContact NE-OE1 2.78Å; R266-E326 IonicContact NE-OE2 3.91Å; R266-E326 PolarHBondContact NE-OE2 2.79Å; R266-E326 VanDerWaalsContact NE-OE2 3.15Å; R266-E326 IonicContact NH2-OE2 3.32Å; R266-E326 PolarHBondContact NH2-OE2 2.83Å
267	A	86.3	Confident	90.2	Very high	82 Å²	82	25.9 Å²	25.9	68%	0.678	13%	0.133	S	C	*	.	H	α-helix	trans	-66.7	-24.8	177.5	0	0	0	0	0	112.9	V265	V265-A267 PolarHBondContact O-N 3.12Å; V265-A267 VanDerWaalsContact O-N 3.07Å
268	Y	88.8	Confident	90.3	Very high	65 Å²	65	25.9 Å²	25.9	26%	0.255	13%	0.133	S	C	.	.	H	α-helix	trans	-91.6	-18.4	-179.1	-59.8	-70.4	0	0	0	113.4	R235 Q238 V265 R266 N270	R235-Y268 VanDerWaalsContact CD-O 3.3Å; R235-Y268 WeakPolarHBondContact CD-O 3.35Å; R235-Y268 HydrophobicContact CG-CD1 4.2Å; Q238-Y268 HydrophobicContact CB-CE1 4.24Å; Q238-Y268 PolarHBondContact OE1-OH 3.26Å; V265-Y268 HydrophobicContact CB-CD2 4.37Å; V265-Y268 WeakPolarHBondContact O-CA 3.35Å; V265-Y268 WeakPolarHBondContact O-CB 3.4Å; V265-Y268 PolarHBondContact O-N 3.25Å; R266-Y268 PolarHBondContact O-N 3.47Å; Y268-N270 VanDerWaalsContact C-N 3.34Å; Y268-N270 PolarHBondContact O-N 3.38Å
269	L	86.8	Confident	90.3	Very high	1 Å²	1	26 Å²	26	1%	0.005	13%	0.134	C	C	.	.	H	α-helix	trans	-73.3	-23	-177.3	-63.2	174.7	0	0	0	113.7	L239 V265 R266 C271 Y274 F402 M419 L422	L239-L269 HydrophobicContact CD1-CD2 3.74Å; V265-L269 HydrophobicContact CG2-CD1 4.47Å; V265-L269 HydrophobicContact CG2-CD2 4.47Å; V265-L269 HydrophobicContact CG2-CG 4.42Å; V265-L269 PolarHBondContact O-N 3.19Å; R266-L269 PolarHBondContact O-N 3.23Å; L269-C271 VanDerWaalsContact C-N 3.26Å; L269-C271 PolarHBondContact O-N 2.94Å; L269-Y274 HydrophobicContact CD1-CD1 4.04Å; L269-Y274 HydrophobicContact CD1-CD2 4.38Å; L269-Y274 HydrophobicContact CD1-CE1 3.72Å; L269-Y274 HydrophobicContact CD1-CE2 4.06Å; L269-Y274 HydrophobicContact CD1-CG 4.37Å; L269-F402 HydrophobicContact CD1-CE1 4.06Å; L269-F402 HydrophobicContact CD2-CE1 4.09Å; L269-M419 HydrophobicContact CB-CE 4.04Å; L269-M419 HydrophobicContact CD2-CE 3.76Å; L269-M419 HydrophobicContact CD2-SD 3.48Å; L269-M419 WeakPolarHBondContact CD2-SD 3.4Å; L269-M419 WeakPolarHBondContact O-CE 3.31Å; L269-L422 HydrophobicContact CD2-CD2 3.74Å
270	N	87.9	Confident	90	Very high	47 Å²	47	26.1 Å²	26.1	25%	0.251	14%	0.137	S	C	.	.			trans	53	34.7	176.6	-157.1	44.3	0	0	0	115.7	Y268 K406	Y268-N270 VanDerWaalsContact C-N 3.34Å; Y268-N270 PolarHBondContact O-N 3.38Å; N270-K406 PolarHBondContact O-N 2.78Å
271	C	90.6	Very high	89.1	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	158.6	174.6	49.8	0	0	0	0	111.6	L269 L322 N404 K406 F411	L269-C271 VanDerWaalsContact C-N 3.26Å; L269-C271 PolarHBondContact O-N 2.94Å; C271-L322 WeakPolarHBondContact O-CD1 3.32Å; C271-N404 CarbonylContact C-O 3.53Å; C271-N404 VanDerWaalsContact CA-O 3.28Å; C271-N404 WeakPolarHBondContact CA-O 3.31Å; C271-K406 WeakPolarHBondContact O-CE 3.35Å; C271-F411 HydrophobicContact CB-CZ 4.47Å
272	D	90.6	Very high	87.9	Confident	36 Å²	36	31.4 Å²	31.4	19%	0.193	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	-41.3	177.2	-71.7	-14.8	0	0	0	111.8	L322 H323 W379 Y403 N404	D272-L322 WeakPolarHBondContact O-CA 3.47Å; D272-L322 VanDerWaalsContact O-CB 3.26Å; D272-L322 WeakPolarHBondContact O-CB 3.31Å; D272-L322 PolarHBondContact O-N 3.37Å; D272-H323 HydrophobicContact CB-CB 4.36Å; D272-H323 PolarHBondContact O-N 3.1Å; D272-W379 HydrophobicContact CB-CZ2 4.26Å; D272-W379 PolarHBondContact OD2-NE1 3.38Å; D272-Y403 PolarHBondContact N-O 2.96Å; D272-N404 HydrophobicContact CB-CB 4.06Å; D272-N404 PolarHBondContact N-O 2.86Å; D272-N404 WeakPolarHBondContact OD2-CB 3.35Å
273	R	91.5	Very high	86.2	Confident	13 Å²	13	37.4 Å²	37.4	5%	0.049	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	151.5	179	-62.3	-168.8	169.7	-177.6	-4.7	110.8	Y320 H323 D375 W379 Y403	R273-Y320 WeakPolarHBondContact CA-O 3.34Å; R273-H323 PolarHBondContact NE-CE1 3.27Å; R273-H323 PolarHBondContact NE-ND1 3.21Å; R273-H323 VanDerWaalsContact NE-ND1 3.17Å; R273-H323 PolarHBondContact NH2-CE1 3.18Å; R273-H323 PolarHBondContact NH2-NE2 3.06Å; R273-D375 IonicContact CZ-OD2 3.85Å; R273-D375 IonicContact NH2-OD2 3.59Å; R273-D375 PolarHBondContact NH2-OD2 2.94Å; R273-W379 HydrophobicContact CB-CH2 4.33Å; R273-W379 HydrophobicContact CB-CZ2 4.2Å; R273-W379 HydrophobicContact CG-CH2 4.24Å; R273-W379 HydrophobicContact CG-CZ2 3.93Å; R273-Y403 HydrophobicContact CB-CD2 4.38Å; R273-Y403 PolarHBondContact N-O 3.45Å; R273-Y403 PolarHBondContact O-N 3.49Å
274	Y	93.8	Very high	84.5	Confident	1 Å²	1	41.1 Å²	41.1	0%	0.004	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	148	165.5	58.6	-82.7	0	0	0	110.5	L262 R266 L269 Y320 L322 T401 F402	L262-Y274 HydrophobicContact CB-CE2 4.1Å; L262-Y274 HydrophobicContact CD2-CE2 4.35Å; L262-Y274 PolarHBondContact O-OH 3.09Å; L262-Y274 VanDerWaalsContact O-OH 3.09Å; R266-Y274 HydrophobicContact CB-CE1 4.34Å; R266-Y274 WeakPolarHBondContact CB-OH 3.3Å; L269-Y274 HydrophobicContact CD1-CD1 4.04Å; L269-Y274 HydrophobicContact CD1-CD2 4.38Å; L269-Y274 HydrophobicContact CD1-CE1 3.72Å; L269-Y274 HydrophobicContact CD1-CE2 4.06Å; L269-Y274 HydrophobicContact CD1-CG 4.37Å; Y274-Y320 AromaticContact CD2-CD2 3.44Å; Y274-Y320 HydrophobicContact CD2-CD2 3.44Å; Y274-Y320 VanDerWaalsContact CD2-CD2 3.44Å; Y274-Y320 HydrophobicContact CD2-CE2 4.15Å; Y274-Y320 AromaticContact CD2-CG 3.85Å; Y274-Y320 HydrophobicContact CD2-CG 3.85Å; Y274-Y320 HydrophobicContact CE1-CG 4.07Å; Y274-Y320 AromaticContact CE2-CD1 3.85Å; Y274-Y320 HydrophobicContact CE2-CD1 3.85Å; Y274-Y320 AromaticContact CE2-CD2 3.07Å; Y274-Y320 HydrophobicContact CE2-CD2 3.07Å; Y274-Y320 HydrophobicContact CE2-CE1 4.32Å; Y274-Y320 AromaticContact CE2-CE2 3.63Å; Y274-Y320 HydrophobicContact CE2-CE2 3.63Å; Y274-Y320 AromaticContact CE2-CG 3.2Å; Y274-Y320 HydrophobicContact CE2-CG 3.2Å; Y274-Y320 HydrophobicContact CG-CD2 4.36Å; Y274-Y320 AromaticContact CZ-CD1 3.73Å; Y274-Y320 AromaticContact CZ-CD2 3.75Å; Y274-Y320 AromaticContact CZ-CG 3.31Å; Y274-Y320 PolarHBondContact N-O 2.91Å; Y274-Y320 VanDerWaalsContact N-O 3.12Å; Y274-Y320 WeakPolarHBondContact O-CB 3.39Å; Y274-Y320 PolarHBondContact O-N 3.41Å; Y274-Y320 VanDerWaalsContact OH-CD1 3.31Å; Y274-Y320 WeakPolarHBondContact OH-CD1 3.29Å; Y274-L322 HydrophobicContact CD1-CD1 4.31Å; Y274-L322 HydrophobicContact CE1-CD1 3.76Å; Y274-L322 HydrophobicContact CE1-CD2 4.32Å; Y274-L322 HydrophobicContact CE1-CG 4.05Å; Y274-T401 CarbonylContact C-O 3.58Å; Y274-T401 WeakPolarHBondContact CA-O 3.23Å; Y274-T401 WeakPolarHBondContact CB-O 3.47Å; Y274-F402 VanDerWaalsContact CB-CD1 3.45Å; Y274-F402 HydrophobicContact CD2-CE1 4.33Å; Y274-F402 HydrophobicContact CG-CD1 4.04Å; Y274-F402 HydrophobicContact CG-CE1 4.15Å
275	S	92.9	Very high	82.9	Confident	4 Å²	4	43.6 Å²	43.6	3%	0.028	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	141.5	-179.8	59.9	0	0	0	0	109.8	I318 D319 T401	S275-I318 CarbonylContact C-O 3.58Å; S275-I318 WeakPolarHBondContact CA-O 3.41Å; S275-D319 VanDerWaalsContact CB-OD1 3.25Å; S275-D319 WeakPolarHBondContact CB-OD1 3.47Å; S275-T401 PolarHBondContact N-O 2.93Å; S275-T401 PolarHBondContact O-N 2.83Å
276	V	94.1	Very high	81.3	Confident	1 Å²	1	50 Å²	50	1%	0.006	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	117.2	171.7	178.7	0	0	0	0	109.5	F258 L262 L278 V317 I318 I389 V399 A400	F258-V276 HydrophobicContact CD2-CG1 4.45Å; L262-V276 HydrophobicContact CD1-CB 4.36Å; L262-V276 HydrophobicContact CD1-CG2 3.54Å; V276-L278 HydrophobicContact CG1-CD2 4.15Å; V276-V317 CarbonylContact O-C 3.53Å; V276-V317 WeakPolarHBondContact O-CA 3.3Å; V276-I318 PolarHBondContact N-O 3.02Å; V276-I318 PolarHBondContact O-N 3.12Å; V276-I389 HydrophobicContact CG1-CD1 3.77Å; V276-V399 WeakPolarHBondContact CA-O 3.31Å; V276-A400 HydrophobicContact CG2-CB 4.04Å
277	G	92.3	Very high	79.6	Confident	5 Å²	5	53.6 Å²	53.6	5%	0.052	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	123.5	171.1	0	0	0	0	0	110.1	K316 G398 V399	G277-K316 WeakPolarHBondContact CA-O 3.46Å; G277-G398 CarbonylContact O-C 3.55Å; G277-G398 WeakPolarHBondContact O-CA 3.42Å; G277-V399 PolarHBondContact N-O 3.06Å; G277-V399 PolarHBondContact O-N 3.46Å
278	L	90.9	Very high	78.3	Confident	1 Å²	1	57.2 Å²	57.2	1%	0.005	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	131.1	173.9	-61.5	177.5	0	0	0	109.4	E255 F258 V276 F314 Y315 K316	E255-L278 HydrophobicContact CG-CD1 4.1Å; F258-L278 HydrophobicContact CD2-CD2 3.77Å; F258-L278 HydrophobicContact CE2-CD2 3.76Å; V276-L278 HydrophobicContact CG1-CD2 4.15Å; L278-F314 WeakPolarHBondContact O-CA 3.35Å; L278-Y315 HydrophobicContact CB-CD1 4.28Å; L278-Y315 HydrophobicContact CB-CE1 3.49Å; L278-Y315 VanDerWaalsContact CB-CE1 3.49Å; L278-Y315 VanDerWaalsContact O-CD1 3.27Å; L278-Y315 WeakPolarHBondContact O-CD1 3.32Å; L278-Y315 PolarHBondContact O-N 3.25Å; L278-K316 PolarHBondContact N-O 3.34Å
279	L	88.2	Confident	77.2	Confident	3 Å²	3	58.4 Å²	58.4	2%	0.016	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	148.2	176.8	-67.1	173.5	0	0	0	110.3	M281 T306 V312 I313 F314 Y315 A350 I396 V397	L279-M281 PolarHBondContact O-N 3.06Å; L279-T306 HydrophobicContact CD1-CG2 4.11Å; L279-V312 HydrophobicContact CD2-CG1 3.93Å; L279-I313 WeakPolarHBondContact CA-O 3.49Å; L279-F314 HydrophobicContact CD2-CD1 3.69Å; L279-F314 HydrophobicContact CD2-CD2 4.42Å; L279-F314 HydrophobicContact CD2-CE1 3.56Å; L279-F314 HydrophobicContact CD2-CE2 4.31Å; L279-F314 HydrophobicContact CD2-CG 4.14Å; L279-F314 HydrophobicContact CD2-CZ 3.9Å; L279-F314 HydrophobicContact CG-CD1 4.34Å; L279-F314 HydrophobicContact CG-CE1 4.11Å; L279-Y315 VanDerWaalsContact C-CD1 3.49Å; L279-Y315 VanDerWaalsContact O-CE1 3.23Å; L279-Y315 WeakPolarHBondContact O-CE1 3.31Å; L279-A350 HydrophobicContact CD1-CB 4.21Å; L279-I396 HydrophobicContact CD1-CB 4.26Å; L279-I396 HydrophobicContact CD1-CG2 3.7Å; L279-V397 PolarHBondContact N-O 3.02Å
280	D	81.4	Confident	76.2	Confident	60 Å²	60	61.8 Å²	61.8	32%	0.321	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-63.7	119.4	171.6	-166.4	-22.3	0	0	0	109.6	T282 I313 Y315	D280-T282 VanDerWaalsContact C-N 3.33Å; D280-T282 VanDerWaalsContact CG-OG1 3.23Å; D280-T282 WeakPolarHBondContact OD1-CB 3.4Å; D280-T282 VanDerWaalsContact OD1-CG2 3.29Å; D280-T282 WeakPolarHBondContact OD1-CG2 3.26Å; D280-T282 PolarHBondContact OD1-N 3.25Å; D280-T282 PolarHBondContact OD1-OG1 3.2Å; D280-T282 PolarHBondContact OD2-OG1 3.27Å; D280-I313 PolarHBondContact N-O 3.17Å; D280-Y315 HydrophobicContact CB-CD1 4.38Å
281	M	70.3	Confident	75.5	Confident	65 Å²	65	65.5 Å²	65.5	32%	0.32	31%	0.309	S	S	.	.			trans	-91.2	5.8	-176.2	-64.4	-59.4	-66.3	0	0	112.9	L279 K283 R310 V397	L279-M281 PolarHBondContact O-N 3.06Å; M281-K283 PolarHBondContact O-N 2.65Å; M281-K283 VanDerWaalsContact O-N 3.09Å; M281-R310 PolarHBondContact SD-NH1 3.48Å; M281-V397 HydrophobicContact CE-CB 4.39Å; M281-V397 HydrophobicContact CE-CG1 4.37Å; M281-V397 HydrophobicContact CE-CG2 3.86Å; M281-V397 HydrophobicContact CG-CG1 4.22Å; M281-V397 VanDerWaalsContact SD-CA 3.56Å; M281-V397 HydrophobicContact SD-CB 4.07Å; M281-V397 HydrophobicContact SD-CG1 3.89Å; M281-V397 HydrophobicContact SD-CG2 4.21Å
282	T	66	Low	74.6	Confident	89 Å²	89	67.1 Å²	67.1	55%	0.546	32%	0.32	S	S	.	.			trans	-65.4	109.8	176.9	51.2	0	0	0	0	110.4	D280 E284	D280-T282 VanDerWaalsContact C-N 3.33Å; D280-T282 VanDerWaalsContact CG-OG1 3.23Å; D280-T282 WeakPolarHBondContact OD1-CB 3.4Å; D280-T282 VanDerWaalsContact OD1-CG2 3.29Å; D280-T282 WeakPolarHBondContact OD1-CG2 3.26Å; D280-T282 PolarHBondContact OD1-N 3.25Å; D280-T282 PolarHBondContact OD1-OG1 3.2Å; D280-T282 PolarHBondContact OD2-OG1 3.27Å; T282-E284 VanDerWaalsContact C-N 3.34Å
283	K	55.7	Low	73.8	Confident	126 Å²	126	67.6 Å²	67.6	55%	0.548	32%	0.324	S	S	.	.	S	Bend	trans	-74.2	-24	-176.3	-76.6	-164.6	166.2	-159.3	0	114.1	M281 E395	M281-K283 PolarHBondContact O-N 2.65Å; M281-K283 VanDerWaalsContact O-N 3.09Å; K283-E395 VanDerWaalsContact CE-OE1 3.32Å; K283-E395 WeakPolarHBondContact CE-OE1 3.44Å; K283-E395 IonicContact NZ-OE1 2.74Å; K283-E395 PolarHBondContact NZ-OE1 3.38Å; K283-E395 IonicContact NZ-OE2 3.72Å
284	E	55.1	Low	73	Confident	169 Å²	169	72.9 Å²	72.9	79%	0.79	35%	0.353	S	S	*	.	S	Bend	trans	-139.7	108.4	-175.2	-68.8	176.1	180	0	0	106.5	T282 E286	T282-E284 VanDerWaalsContact C-N 3.34Å; E284-E286 PolarHBondContact O-N 3.06Å
285	K	56.8	Low	72.3	Confident	96 Å²	96	78.1 Å²	78.1	42%	0.417	38%	0.378	S	S	.	.			trans	-53.6	124.9	158	-86.6	-177.2	-175	169	0	106	D289 I290 E311	K285-D289 HydrophobicContact CB-CB 3.75Å; K285-D289 HydrophobicContact CD-CB 4.33Å; K285-D289 HydrophobicContact CG-CB 4.04Å; K285-I290 HydrophobicContact CB-CD1 4.25Å; K285-I290 HydrophobicContact CB-CG1 3.8Å; K285-E311 IonicContact NZ-OE1 2.83Å; K285-E311 PolarHBondContact NZ-OE1 2.7Å; K285-E311 IonicContact NZ-OE2 3.43Å; K285-E311 PolarHBondContact NZ-OE2 2.95Å
286	E	57.7	Low	71.3	Confident	133 Å²	133	80.9 Å²	80.9	62%	0.621	41%	0.408	S	S	*	.			trans	-60	158.4	-179.2	-69.2	-170.1	170.3	0	0	108.6	E284 F288 D289 I290	E284-E286 PolarHBondContact O-N 3.06Å; E286-F288 PolarHBondContact O-N 2.95Å; E286-D289 PolarHBondContact N-OD2 3.25Å; E286-D289 WeakPolarHBondContact O-CB 3.44Å; E286-D289 PolarHBondContact O-N 2.99Å; E286-I290 PolarHBondContact O-N 3.48Å
287	F	54.7	Low	70.6	Confident	129 Å²	129	87.6 Å²	87.6	57%	0.566	44%	0.439	S	S	*	.	H	α-helix	trans	-49.2	-31.6	-179.2	-176	-97.9	0	0	0	113	W291	F287-W291 HydrophobicContact CD1-CE3 4.13Å; F287-W291 HydrophobicContact CE1-CD2 4.48Å; F287-W291 AromaticContact CE1-CE3 3.34Å; F287-W291 HydrophobicContact CE1-CE3 3.34Å; F287-W291 HydrophobicContact CE1-CH2 4.49Å; F287-W291 AromaticContact CE1-CZ3 3.36Å; F287-W291 HydrophobicContact CE1-CZ3 3.36Å; F287-W291 AromaticContact CZ-CE3 3.66Å; F287-W291 HydrophobicContact CZ-CE3 3.66Å; F287-W291 AromaticContact CZ-CZ3 3.42Å; F287-W291 HydrophobicContact CZ-CZ3 3.42Å; F287-W291 VanDerWaalsContact CZ-CZ3 3.42Å; F287-W291 PolarHBondContact O-N 3.05Å
288	F	58.9	Low	69.8	Low	158 Å²	158	92.8 Å²	92.8	69%	0.693	46%	0.462	S	S	*	.	H	α-helix	trans	-71.3	-27.9	177.3	-58.8	-70.9	0	0	0	114.4	E286 P292	E286-F288 PolarHBondContact O-N 2.95Å; F288-P292 WeakPolarHBondContact O-CD 3.4Å
289	D	64.9	Low	68.8	Low	90 Å²	90	98 Å²	98	48%	0.481	50%	0.496	S	S	.	.	H	α-helix	trans	-78.9	-27	178.3	-62.6	-36.7	0	0	0	112	K285 E286	K285-D289 HydrophobicContact CB-CB 3.75Å; K285-D289 HydrophobicContact CD-CB 4.33Å; K285-D289 HydrophobicContact CG-CB 4.04Å; E286-D289 PolarHBondContact N-OD2 3.25Å; E286-D289 WeakPolarHBondContact O-CB 3.44Å; E286-D289 PolarHBondContact O-N 2.99Å
290	I	66.4	Low	68	Low	72 Å²	72	102.4 Å²	102.4	37%	0.369	53%	0.525	S	S	.	.	H	α-helix	trans	-86.6	-21.5	178.6	-51.3	176.8	0	0	0	110.9	K285 E286 V293 L294	K285-I290 HydrophobicContact CB-CD1 4.25Å; K285-I290 HydrophobicContact CB-CG1 3.8Å; E286-I290 PolarHBondContact O-N 3.48Å; I290-V293 WeakPolarHBondContact O-CB 3.34Å; I290-V293 PolarHBondContact O-N 3.46Å; I290-V293 VanDerWaalsContact O-N 3.1Å; I290-L294 HydrophobicContact CG2-CD1 3.73Å; I290-L294 HydrophobicContact CG2-CG 3.91Å; I290-L294 PolarHBondContact O-N 3.38Å
291	W	71.9	Confident	67.6	Low	124 Å²	124	103.9 Å²	103.9	47%	0.47	53%	0.527	S	S	.	.	H	α-helix	trans	-55.5	-46.3	-176.7	-166.9	-94.5	0	0	0	114.2	F287 V293 L294 M295	F287-W291 HydrophobicContact CD1-CE3 4.13Å; F287-W291 HydrophobicContact CE1-CD2 4.48Å; F287-W291 AromaticContact CE1-CE3 3.34Å; F287-W291 HydrophobicContact CE1-CE3 3.34Å; F287-W291 HydrophobicContact CE1-CH2 4.49Å; F287-W291 AromaticContact CE1-CZ3 3.36Å; F287-W291 HydrophobicContact CE1-CZ3 3.36Å; F287-W291 AromaticContact CZ-CE3 3.66Å; F287-W291 HydrophobicContact CZ-CE3 3.66Å; F287-W291 AromaticContact CZ-CZ3 3.42Å; F287-W291 HydrophobicContact CZ-CZ3 3.42Å; F287-W291 VanDerWaalsContact CZ-CZ3 3.42Å; F287-W291 PolarHBondContact O-N 3.05Å; W291-V293 VanDerWaalsContact C-N 3.25Å; W291-V293 PolarHBondContact O-N 3.33Å; W291-L294 PolarHBondContact O-N 2.9Å; W291-M295 HydrophobicContact CD2-CG 4.41Å; W291-M295 HydrophobicContact CG-CG 4.29Å; W291-M295 HydrophobicContact CZ2-SD 4.23Å; W291-M295 WeakPolarHBondContact O-CB 3.11Å; W291-M295 WeakPolarHBondContact O-CG 3.24Å; W291-M295 PolarHBondContact O-N 2.88Å
292	P	73.3	Confident	67.5	Low	35 Å²	35	106.7 Å²	106.7	23%	0.227	55%	0.553	C	S	.	*	H	α-helix	trans	-63.2	-31.7	177.9	-20.6	33.8	0	0	0	112.7	F288 G296 E297 Q298	F288-P292 WeakPolarHBondContact O-CD 3.4Å; P292-G296 PolarHBondContact O-N 3.39Å; P292-E297 HydrophobicContact CB-CB 4.37Å; P292-E297 WeakPolarHBondContact O-CA 3.4Å; P292-E297 WeakPolarHBondContact O-CB 3.42Å; P292-E297 PolarHBondContact O-N 3.44Å; P292-Q298 HydrophobicContact CB-CG 4.44Å; P292-Q298 PolarHBondContact O-N 3.44Å
293	V	72.1	Confident	67.8	Low	46 Å²	46	103.9 Å²	103.9	28%	0.279	54%	0.541	S	S	.	.	H	α-helix	trans	-72.6	-44.8	176.9	-178.8	0	0	0	0	110.9	I290 W291 M295 G296 Q298 P300	I290-V293 WeakPolarHBondContact O-CB 3.34Å; I290-V293 PolarHBondContact O-N 3.46Å; I290-V293 VanDerWaalsContact O-N 3.1Å; W291-V293 VanDerWaalsContact C-N 3.25Å; W291-V293 PolarHBondContact O-N 3.33Å; V293-M295 VanDerWaalsContact C-N 3.32Å; V293-M295 PolarHBondContact O-N 3.49Å; V293-G296 PolarHBondContact O-N 2.91Å; V293-G296 VanDerWaalsContact O-N 3.11Å; V293-Q298 WeakPolarHBondContact CA-O 3.3Å; V293-Q298 HydrophobicContact CG2-CB 4.16Å; V293-P300 HydrophobicContact CG1-CB 3.95Å
294	L	75.1	Confident	68.8	Low	124 Å²	124	99.7 Å²	99.7	65%	0.649	53%	0.527	S	S	*	.	H	α-helix	trans	-67.5	-32	177.9	-72.3	168.2	0	0	0	113.1	I290 W291 G296	I290-L294 HydrophobicContact CG2-CD1 3.73Å; I290-L294 HydrophobicContact CG2-CG 3.91Å; I290-L294 PolarHBondContact O-N 3.38Å; W291-L294 PolarHBondContact O-N 2.9Å; L294-G296 PolarHBondContact O-N 3.09Å
295	M	78.7	Confident	70.1	Confident	110 Å²	110	94.8 Å²	94.8	54%	0.542	51%	0.509	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-6	174.4	-68.7	-68.1	-69.4	0	0	112.9	W291 V293 E297	W291-M295 HydrophobicContact CD2-CG 4.41Å; W291-M295 HydrophobicContact CG-CG 4.29Å; W291-M295 HydrophobicContact CZ2-SD 4.23Å; W291-M295 WeakPolarHBondContact O-CB 3.11Å; W291-M295 WeakPolarHBondContact O-CG 3.24Å; W291-M295 PolarHBondContact O-N 2.88Å; V293-M295 VanDerWaalsContact C-N 3.32Å; V293-M295 PolarHBondContact O-N 3.49Å; M295-E297 VanDerWaalsContact C-N 3.27Å; M295-E297 HydrophobicContact CB-CG 4.11Å; M295-E297 PolarHBondContact O-N 2.92Å
296	G	73.6	Confident	71.2	Confident	63 Å²	63	90.4 Å²	90.4	65%	0.649	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.4	13.2	-178.5	0	0	0	0	0	114.3	P292 V293 L294	P292-G296 PolarHBondContact O-N 3.39Å; V293-G296 PolarHBondContact O-N 2.91Å; V293-G296 VanDerWaalsContact O-N 3.11Å; L294-G296 PolarHBondContact O-N 3.09Å
297	E	79.6	Confident	72.3	Confident	142 Å²	142	88.5 Å²	88.5	66%	0.664	49%	0.489	S	S	*	.	S	Bend	trans	-76.9	-28.3	176.2	-60.9	-178.4	173.3	0	0	111.7	P292 M295	P292-E297 HydrophobicContact CB-CB 4.37Å; P292-E297 WeakPolarHBondContact O-CA 3.4Å; P292-E297 WeakPolarHBondContact O-CB 3.42Å; P292-E297 PolarHBondContact O-N 3.44Å; M295-E297 VanDerWaalsContact C-N 3.27Å; M295-E297 HydrophobicContact CB-CG 4.11Å; M295-E297 PolarHBondContact O-N 2.92Å
298	Q	75.1	Confident	73.3	Confident	113 Å²	113	85.5 Å²	85.5	53%	0.528	48%	0.479	S	S	.	.	S	Bend	trans	-126.4	140.9	171	-77	-173.4	-10.5	0	0	111.5	P292 V293	P292-Q298 HydrophobicContact CB-CG 4.44Å; P292-Q298 PolarHBondContact O-N 3.44Å; V293-Q298 WeakPolarHBondContact CA-O 3.3Å; V293-Q298 HydrophobicContact CG2-CB 4.16Å
299	P	70.3	Confident	74	Confident	111 Å²	111	80.5 Å²	80.5	72%	0.721	47%	0.472	S	S	*	.	P	Polyproline II helix	trans	-66.5	146	171.9	28.1	-32.6	0	0	0	110.6
300	P	70.9	Confident	74.6	Confident	96 Å²	96	77.5 Å²	77.5	62%	0.623	45%	0.454	S	S	*	.	P	Polyproline II helix	trans	-61	144.4	173	24.8	-32.1	0	0	0	110.5	V293 S302	V293-P300 HydrophobicContact CG1-CB 3.95Å; P300-S302 PolarHBondContact O-N 3.44Å
301	Y	73.4	Confident	75.5	Confident	90 Å²	90	76.7 Å²	76.7	35%	0.353	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-57.3	126	179.2	178.1	-97.7	0	0	0	110.6	G303 P304 V305 E311	Y301-G303 VanDerWaalsContact CE1-CA 3.44Å; Y301-G303 VanDerWaalsContact CE1-O 3.23Å; Y301-G303 WeakPolarHBondContact CE1-O 3.25Å; Y301-G303 WeakPolarHBondContact OH-CA 3.42Å; Y301-P304 WeakPolarHBondContact CE1-O 3.44Å; Y301-P304 WeakPolarHBondContact OH-CD 2.76Å; Y301-P304 PolarHBondContact OH-O 3.43Å; Y301-V305 HydrophobicContact CE1-CG1 4.23Å; Y301-E311 VanDerWaalsContact CB-OE1 3.23Å; Y301-E311 WeakPolarHBondContact CB-OE1 3.23Å; Y301-E311 HydrophobicContact CD1-CB 4.05Å; Y301-E311 HydrophobicContact CD1-CG 3.47Å; Y301-E311 VanDerWaalsContact CD1-CG 3.47Å; Y301-E311 HydrophobicContact CD2-CG 4.3Å; Y301-E311 HydrophobicContact CE1-CB 3.72Å; Y301-E311 HydrophobicContact CE1-CG 3.68Å; Y301-E311 HydrophobicContact CE2-CB 4.31Å; Y301-E311 HydrophobicContact CG-CB 4.44Å; Y301-E311 VanDerWaalsContact CG-CD 3.46Å; Y301-E311 HydrophobicContact CG-CG 3.78Å
302	S	66.9	Low	76.1	Confident	124 Å²	124	71.4 Å²	71.4	87%	0.867	43%	0.43	S	S	*	.			trans	-116.5	14.1	-179.5	69.1	0	0	0	0	112.6	P300	P300-S302 PolarHBondContact O-N 3.44Å
303	G	72.3	Confident	76.7	Confident	30 Å²	30	73.2 Å²	73.2	31%	0.309	44%	0.437	S	S	.	.	S	Bend	trans	-85.5	-177.4	-179.9	0	0	0	0	0	112.8	Y301	Y301-G303 VanDerWaalsContact CE1-CA 3.44Å; Y301-G303 VanDerWaalsContact CE1-O 3.23Å; Y301-G303 WeakPolarHBondContact CE1-O 3.25Å; Y301-G303 WeakPolarHBondContact OH-CA 3.42Å
304	P	77.9	Confident	77.4	Confident	39 Å²	39	72 Å²	72	25%	0.253	43%	0.428	S	S	.	.			trans	-64.2	144.7	179.4	24.7	-30.7	0	0	0	111	Y301 V312 T347 E351	Y301-P304 WeakPolarHBondContact CE1-O 3.44Å; Y301-P304 WeakPolarHBondContact OH-CD 2.76Å; Y301-P304 PolarHBondContact OH-O 3.43Å; P304-V312 HydrophobicContact CB-CG2 4.32Å; P304-V312 HydrophobicContact CG-CB 4.27Å; P304-V312 WeakPolarHBondContact O-CG2 3.43Å; P304-V312 PolarHBondContact O-N 3.2Å; P304-V312 VanDerWaalsContact O-N 3.11Å; P304-T347 HydrophobicContact CB-CG2 4.19Å; P304-T347 HydrophobicContact CG-CG2 3.45Å; P304-T347 VanDerWaalsContact CG-CG2 3.45Å; P304-E351 HydrophobicContact CB-CB 4.45Å
305	V	81.8	Confident	78	Confident	66 Å²	66	68.9 Å²	68.9	40%	0.4	41%	0.408	S	S	.	.	B	Isolated β-bridge	trans	-119.6	145.6	177.9	-66.4	0	0	0	0	110.1	Y301 R310	Y301-V305 HydrophobicContact CE1-CG1 4.23Å; V305-R310 CarbonylContact C-O 3.58Å; V305-R310 WeakPolarHBondContact CA-O 3.29Å; V305-R310 WeakPolarHBondContact CB-O 3.44Å
306	T	80.6	Confident	78.5	Confident	4 Å²	4	65.2 Å²	65.2	3%	0.025	39%	0.389	C	S	.	.			trans	-66.1	163.9	172.4	59.7	0	0	0	0	110.5	L279 D308 G309 R310 V312	L279-T306 HydrophobicContact CD1-CG2 4.11Å; T306-D308 WeakPolarHBondContact CB-OD1 3.12Å; T306-D308 PolarHBondContact O-N 3.41Å; T306-D308 PolarHBondContact OG1-OD1 3.07Å; T306-G309 WeakPolarHBondContact O-CA 3.29Å; T306-G309 PolarHBondContact O-N 3.33Å; T306-R310 PolarHBondContact N-O 2.9Å; T306-R310 WeakPolarHBondContact OG1-CB 3.5Å; T306-R310 PolarHBondContact OG1-N 2.71Å; T306-R310 PolarHBondContact OG1-O 3.42Å; T306-V312 HydrophobicContact CG2-CG2 3.84Å
307	P	79.9	Confident	79.3	Confident	92 Å²	92	62.3 Å²	62.3	60%	0.597	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-26.1	178.1	-27.1	35.8	0	0	0	114.4	G309 E351 I396	P307-G309 VanDerWaalsContact C-N 3.34Å; P307-E351 WeakPolarHBondContact CD-O 3.4Å; P307-E351 WeakPolarHBondContact CG-O 3.41Å; P307-I396 HydrophobicContact CG-CD1 4.22Å
308	D	74.9	Confident	79.8	Confident	66 Å²	66	55.7 Å²	55.7	35%	0.353	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	5.8	175.1	60.1	-40	0	0	0	114.1	T306 R310	T306-D308 WeakPolarHBondContact CB-OD1 3.12Å; T306-D308 PolarHBondContact O-N 3.41Å; T306-D308 PolarHBondContact OG1-OD1 3.07Å; D308-R310 IonicContact OD1-NE 3.22Å; D308-R310 IonicContact OD1-NH2 3.74Å; D308-R310 IonicContact OD2-CZ 3.15Å; D308-R310 IonicContact OD2-NE 3.21Å; D308-R310 PolarHBondContact OD2-NE 2.84Å; D308-R310 IonicContact OD2-NH2 2.94Å; D308-R310 PolarHBondContact OD2-NH2 3Å
309	G	74.8	Confident	80.5	Confident	54 Å²	54	50.5 Å²	50.5	56%	0.557	30%	0.304	S	S	*	.	S	Bend	trans	87	13.5	170.2	0	0	0	0	0	115.8	T306 P307	T306-G309 WeakPolarHBondContact O-CA 3.29Å; T306-G309 PolarHBondContact O-N 3.33Å; P307-G309 VanDerWaalsContact C-N 3.34Å
310	R	78.3	Confident	81.5	Confident	27 Å²	27	45.3 Å²	45.3	10%	0.102	27%	0.27	C	S	.	.			trans	-87.8	149	177.4	-69.2	-178.1	-75.6	142.2	6.4	111.3	M281 V305 T306 D308 V312 I396	M281-R310 PolarHBondContact SD-NH1 3.48Å; V305-R310 CarbonylContact C-O 3.58Å; V305-R310 WeakPolarHBondContact CA-O 3.29Å; V305-R310 WeakPolarHBondContact CB-O 3.44Å; T306-R310 PolarHBondContact N-O 2.9Å; T306-R310 WeakPolarHBondContact OG1-CB 3.5Å; T306-R310 PolarHBondContact OG1-N 2.71Å; T306-R310 PolarHBondContact OG1-O 3.42Å; D308-R310 IonicContact OD1-NE 3.22Å; D308-R310 IonicContact OD1-NH2 3.74Å; D308-R310 IonicContact OD2-CZ 3.15Å; D308-R310 IonicContact OD2-NE 3.21Å; D308-R310 PolarHBondContact OD2-NE 2.84Å; D308-R310 IonicContact OD2-NH2 2.94Å; D308-R310 PolarHBondContact OD2-NH2 3Å; R310-V312 PolarHBondContact O-N 2.87Å; R310-I396 PolarHBondContact NH2-O 2.7Å
311	E	83.8	Confident	82.3	Confident	54 Å²	54	41.5 Å²	41.5	25%	0.252	24%	0.244	S	C	.	.	B	Isolated β-bridge	trans	-63.8	132.6	174.3	-54.9	-179.2	-178.3	0	0	109.8	K285 Y301 I313	K285-E311 IonicContact NZ-OE1 2.83Å; K285-E311 PolarHBondContact NZ-OE1 2.7Å; K285-E311 IonicContact NZ-OE2 3.43Å; K285-E311 PolarHBondContact NZ-OE2 2.95Å; Y301-E311 VanDerWaalsContact CB-OE1 3.23Å; Y301-E311 WeakPolarHBondContact CB-OE1 3.23Å; Y301-E311 HydrophobicContact CD1-CB 4.05Å; Y301-E311 HydrophobicContact CD1-CG 3.47Å; Y301-E311 VanDerWaalsContact CD1-CG 3.47Å; Y301-E311 HydrophobicContact CD2-CG 4.3Å; Y301-E311 HydrophobicContact CE1-CB 3.72Å; Y301-E311 HydrophobicContact CE1-CG 3.68Å; Y301-E311 HydrophobicContact CE2-CB 4.31Å; Y301-E311 HydrophobicContact CG-CB 4.44Å; Y301-E311 VanDerWaalsContact CG-CD 3.46Å; Y301-E311 HydrophobicContact CG-CG 3.78Å; E311-I313 VanDerWaalsContact C-N 3.33Å; E311-I313 HydrophobicContact CB-CD1 4Å; E311-I313 HydrophobicContact CB-CG1 4.05Å; E311-I313 PolarHBondContact O-N 3.13Å; E311-I313 WeakPolarHBondContact OE2-CD1 3.31Å
312	V	84.6	Confident	82.8	Confident	13 Å²	13	38 Å²	38	8%	0.079	23%	0.232	C	C	.	.			trans	-77.7	86.2	175.9	-179	0	0	0	0	109.3	L279 P304 T306 R310 F314 T347 A350	L279-V312 HydrophobicContact CD2-CG1 3.93Å; P304-V312 HydrophobicContact CB-CG2 4.32Å; P304-V312 HydrophobicContact CG-CB 4.27Å; P304-V312 WeakPolarHBondContact O-CG2 3.43Å; P304-V312 PolarHBondContact O-N 3.2Å; P304-V312 VanDerWaalsContact O-N 3.11Å; T306-V312 HydrophobicContact CG2-CG2 3.84Å; R310-V312 PolarHBondContact O-N 2.87Å; V312-F314 HydrophobicContact CG1-CE2 3.95Å; V312-F314 HydrophobicContact CG1-CZ 4.34Å; V312-T347 HydrophobicContact CG1-CG2 4.19Å; V312-A350 HydrophobicContact CG1-CB 3.66Å; V312-A350 HydrophobicContact CG2-CB 4.16Å
313	I	85.3	Confident	83.3	Confident	73 Å²	73	33.7 Å²	33.7	37%	0.374	20%	0.197	S	C	.	.			trans	-118.6	113.3	176.9	-58.8	176.3	0	0	0	109.2	L279 D280 E311 Y315	L279-I313 WeakPolarHBondContact CA-O 3.49Å; D280-I313 PolarHBondContact N-O 3.17Å; E311-I313 VanDerWaalsContact C-N 3.33Å; E311-I313 HydrophobicContact CB-CD1 4Å; E311-I313 HydrophobicContact CB-CG1 4.05Å; E311-I313 PolarHBondContact O-N 3.13Å; E311-I313 WeakPolarHBondContact OE2-CD1 3.31Å; I313-Y315 PolarHBondContact O-N 3.43Å
314	F	87.6	Confident	83.5	Confident	21 Å²	21	36 Å²	36	9%	0.092	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	105.8	171.3	-65.4	-76.7	0	0	0	109.3	L278 L279 V312 P334 L341 P346 A350 V399	L278-F314 WeakPolarHBondContact O-CA 3.35Å; L279-F314 HydrophobicContact CD2-CD1 3.69Å; L279-F314 HydrophobicContact CD2-CD2 4.42Å; L279-F314 HydrophobicContact CD2-CE1 3.56Å; L279-F314 HydrophobicContact CD2-CE2 4.31Å; L279-F314 HydrophobicContact CD2-CG 4.14Å; L279-F314 HydrophobicContact CD2-CZ 3.9Å; L279-F314 HydrophobicContact CG-CD1 4.34Å; L279-F314 HydrophobicContact CG-CE1 4.11Å; V312-F314 HydrophobicContact CG1-CE2 3.95Å; V312-F314 HydrophobicContact CG1-CZ 4.34Å; F314-P334 HydrophobicContact CB-CG 4.2Å; F314-P334 WeakPolarHBondContact O-CD 3.49Å; F314-L341 HydrophobicContact CB-CD1 4.35Å; F314-L341 HydrophobicContact CD2-CD1 4.25Å; F314-L341 HydrophobicContact CD2-CD2 3.85Å; F314-L341 HydrophobicContact CE2-CD2 3.98Å; F314-L341 HydrophobicContact CG-CD2 4.24Å; F314-L341 HydrophobicContact CZ-CD2 4.48Å; F314-P346 HydrophobicContact CE2-CB 4.41Å; F314-P346 HydrophobicContact CZ-CB 4.06Å; F314-A350 HydrophobicContact CZ-CB 4.3Å; F314-V399 HydrophobicContact CE1-CB 4.28Å; F314-V399 HydrophobicContact CE1-CG2 4.19Å; F314-V399 HydrophobicContact CZ-CB 4.45Å; F314-V399 HydrophobicContact CZ-CG2 4.15Å
315	Y	87.1	Confident	83.4	Confident	59 Å²	59	43 Å²	43	23%	0.231	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	-17.3	177.4	77.9	-84.9	0	0	0	112.4	L278 L279 D280 I313 N333	L278-Y315 HydrophobicContact CB-CD1 4.28Å; L278-Y315 HydrophobicContact CB-CE1 3.49Å; L278-Y315 VanDerWaalsContact CB-CE1 3.49Å; L278-Y315 VanDerWaalsContact O-CD1 3.27Å; L278-Y315 WeakPolarHBondContact O-CD1 3.32Å; L278-Y315 PolarHBondContact O-N 3.25Å; L279-Y315 VanDerWaalsContact C-CD1 3.49Å; L279-Y315 VanDerWaalsContact O-CE1 3.23Å; L279-Y315 WeakPolarHBondContact O-CE1 3.31Å; D280-Y315 HydrophobicContact CB-CD1 4.38Å; I313-Y315 PolarHBondContact O-N 3.43Å; Y315-N333 PolarHBondContact O-N 3.24Å; Y315-N333 PolarHBondContact O-OD1 3.22Å
316	K	89	Confident	83.5	Confident	33 Å²	33	44.7 Å²	44.7	14%	0.143	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	138.4	180	-175.3	166.3	-82.2	164.7	0	111.3	E255 G277 L278 V330 I331	E255-K316 HydrophobicContact CG-CD 4.44Å; E255-K316 IonicContact OE1-NZ 3.83Å; E255-K316 PolarHBondContact OE1-NZ 3.49Å; E255-K316 IonicContact OE2-NZ 3.68Å; E255-K316 PolarHBondContact OE2-NZ 2.61Å; G277-K316 WeakPolarHBondContact CA-O 3.46Å; L278-K316 PolarHBondContact N-O 3.34Å; K316-V330 HydrophobicContact CD-CG1 4.02Å; K316-V330 HydrophobicContact CG-CG1 4.29Å; K316-I331 WeakPolarHBondContact CA-O 3.48Å
317	V	90.9	Very high	83.7	Confident	1 Å²	1	48.1 Å²	48.1	1%	0.006	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	137.4	171.5	166.6	0	0	0	0	109.3	V276 D319 I331 P334 L341	V276-V317 CarbonylContact O-C 3.53Å; V276-V317 WeakPolarHBondContact O-CA 3.3Å; V317-D319 WeakPolarHBondContact CG1-OD1 3.28Å; V317-I331 PolarHBondContact N-O 2.92Å; V317-I331 PolarHBondContact O-N 2.94Å; V317-P334 HydrophobicContact CB-CB 4.28Å; V317-P334 HydrophobicContact CB-CG 4.24Å; V317-P334 HydrophobicContact CG2-CB 4.08Å; V317-P334 HydrophobicContact CG2-CG 3.69Å; V317-L341 HydrophobicContact CG2-CD1 4.24Å; V317-L341 HydrophobicContact CG2-CD2 4.4Å; V317-L341 HydrophobicContact CG2-CG 4.48Å
318	I	90.9	Very high	84	Confident	4 Å²	4	46.5 Å²	46.5	2%	0.021	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	113	175.7	-49.2	172.7	0	0	0	108.5	S275 V276 Y320 I328 K329 V330	S275-I318 CarbonylContact C-O 3.58Å; S275-I318 WeakPolarHBondContact CA-O 3.41Å; V276-I318 PolarHBondContact N-O 3.02Å; V276-I318 PolarHBondContact O-N 3.12Å; I318-Y320 HydrophobicContact CB-CE2 4Å; I318-Y320 HydrophobicContact CG2-CD2 4.2Å; I318-Y320 HydrophobicContact CG2-CE1 4.34Å; I318-Y320 HydrophobicContact CG2-CE2 3.45Å; I318-Y320 VanDerWaalsContact CG2-CE2 3.45Å; I318-Y320 WeakPolarHBondContact CG2-OH 3.35Å; I318-I328 HydrophobicContact CG2-CG2 4.14Å; I318-K329 WeakPolarHBondContact CA-O 3.41Å; I318-V330 HydrophobicContact CG1-CG1 4.44Å; I318-V330 HydrophobicContact CG2-CG2 4.12Å
319	D	90.1	Very high	84.5	Confident	3 Å²	3	48 Å²	48	2%	0.016	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	130.1	178.2	-68	-21.4	0	0	0	110.7	S275 V317 I328 K329 H338 W339	S275-D319 VanDerWaalsContact CB-OD1 3.25Å; S275-D319 WeakPolarHBondContact CB-OD1 3.47Å; V317-D319 WeakPolarHBondContact CG1-OD1 3.28Å; D319-I328 WeakPolarHBondContact O-CA 3.45Å; D319-K329 HydrophobicContact CB-CB 4.32Å; D319-K329 PolarHBondContact N-O 3.4Å; D319-K329 PolarHBondContact O-N 3.1Å; D319-H338 IonicContact OD1-CE1 3.18Å; D319-H338 IonicContact OD2-CE1 2.75Å; D319-H338 PolarHBondContact OD2-CE1 3.43Å; D319-H338 IonicContact OD2-NE2 2.93Å; D319-H338 PolarHBondContact OD2-NE2 2.9Å; D319-W339 HydrophobicContact CB-CZ2 4.24Å; D319-W339 WeakPolarHBondContact OD2-CZ2 3.27Å; D319-W339 PolarHBondContact OD2-NE1 3.3Å; D319-W339 VanDerWaalsContact OD2-NE1 3.15Å
320	Y	90.9	Very high	85.1	Confident	2 Å²	2	49.2 Å²	49.2	1%	0.008	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	108.5	174.3	-60	-96	0	0	0	108.8	H259 L262 R273 Y274 I318 I328	H259-Y320 WeakPolarHBondContact CA-OH 3.32Å; H259-Y320 AromaticContact ND1-CE1 3.87Å; H259-Y320 AromaticContact ND1-CZ 4Å; H259-Y320 PolarHBondContact ND1-OH 2.88Å; L262-Y320 HydrophobicContact CB-CE1 4.41Å; L262-Y320 HydrophobicContact CB-CE2 4.35Å; L262-Y320 HydrophobicContact CD1-CE2 4.17Å; R273-Y320 WeakPolarHBondContact CA-O 3.34Å; Y274-Y320 AromaticContact CD2-CD2 3.44Å; Y274-Y320 HydrophobicContact CD2-CD2 3.44Å; Y274-Y320 VanDerWaalsContact CD2-CD2 3.44Å; Y274-Y320 HydrophobicContact CD2-CE2 4.15Å; Y274-Y320 AromaticContact CD2-CG 3.85Å; Y274-Y320 HydrophobicContact CD2-CG 3.85Å; Y274-Y320 HydrophobicContact CE1-CG 4.07Å; Y274-Y320 AromaticContact CE2-CD1 3.85Å; Y274-Y320 HydrophobicContact CE2-CD1 3.85Å; Y274-Y320 AromaticContact CE2-CD2 3.07Å; Y274-Y320 HydrophobicContact CE2-CD2 3.07Å; Y274-Y320 HydrophobicContact CE2-CE1 4.32Å; Y274-Y320 AromaticContact CE2-CE2 3.63Å; Y274-Y320 HydrophobicContact CE2-CE2 3.63Å; Y274-Y320 AromaticContact CE2-CG 3.2Å; Y274-Y320 HydrophobicContact CE2-CG 3.2Å; Y274-Y320 HydrophobicContact CG-CD2 4.36Å; Y274-Y320 AromaticContact CZ-CD1 3.73Å; Y274-Y320 AromaticContact CZ-CD2 3.75Å; Y274-Y320 AromaticContact CZ-CG 3.31Å; Y274-Y320 PolarHBondContact N-O 2.91Å; Y274-Y320 VanDerWaalsContact N-O 3.12Å; Y274-Y320 WeakPolarHBondContact O-CB 3.39Å; Y274-Y320 PolarHBondContact O-N 3.41Å; Y274-Y320 VanDerWaalsContact OH-CD1 3.31Å; Y274-Y320 WeakPolarHBondContact OH-CD1 3.29Å; I318-Y320 HydrophobicContact CB-CE2 4Å; I318-Y320 HydrophobicContact CG2-CD2 4.2Å; I318-Y320 HydrophobicContact CG2-CE1 4.34Å; I318-Y320 HydrophobicContact CG2-CE2 3.45Å; I318-Y320 VanDerWaalsContact CG2-CE2 3.45Å; I318-Y320 WeakPolarHBondContact CG2-OH 3.35Å; Y320-I328 HydrophobicContact CD1-CD1 4.24Å; Y320-I328 HydrophobicContact CD1-CG1 4.16Å; Y320-I328 HydrophobicContact CD1-CG2 4.06Å; Y320-I328 HydrophobicContact CE1-CD1 4.35Å; Y320-I328 HydrophobicContact CE1-CG2 4.02Å
321	I	87.4	Confident	85.5	Confident	17 Å²	17	49.9 Å²	49.9	9%	0.087	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	108.8	178	-58.1	169.9	0	0	0	107.1	E326 D327 K329	I321-E326 VanDerWaalsContact O-CA 3.32Å; I321-E326 WeakPolarHBondContact O-CA 3.25Å; I321-D327 PolarHBondContact N-O 2.94Å; I321-D327 PolarHBondContact O-N 2.99Å; I321-K329 HydrophobicContact CD1-CD 4.41Å
322	L	84.2	Confident	85.6	Confident	17 Å²	17	51.4 Å²	51.4	9%	0.089	28%	0.275	C	S	.	.			trans	-101.8	-13.3	-177.3	-55	-175.4	0	0	0	113.7	R266 C271 D272 Y274	R266-L322 HydrophobicContact CB-CD1 4.16Å; R266-L322 HydrophobicContact CB-CD2 4.2Å; R266-L322 HydrophobicContact CG-CD2 4.31Å; C271-L322 WeakPolarHBondContact O-CD1 3.32Å; D272-L322 WeakPolarHBondContact O-CA 3.47Å; D272-L322 VanDerWaalsContact O-CB 3.26Å; D272-L322 WeakPolarHBondContact O-CB 3.31Å; D272-L322 PolarHBondContact O-N 3.37Å; Y274-L322 HydrophobicContact CD1-CD1 4.31Å; Y274-L322 HydrophobicContact CE1-CD1 3.76Å; Y274-L322 HydrophobicContact CE1-CD2 4.32Å; Y274-L322 HydrophobicContact CE1-CG 4.05Å
323	H	77.3	Confident	85.6	Confident	32 Å²	32	56.8 Å²	56.8	15%	0.148	30%	0.303	C	S	.	.	S	Bend	trans	-87.3	141.3	178.9	79.5	-103.8	0	0	0	111.5	D272 R273 K325 D375 S377 W379	D272-H323 HydrophobicContact CB-CB 4.36Å; D272-H323 PolarHBondContact O-N 3.1Å; R273-H323 PolarHBondContact NE-CE1 3.27Å; R273-H323 PolarHBondContact NE-ND1 3.21Å; R273-H323 VanDerWaalsContact NE-ND1 3.17Å; R273-H323 PolarHBondContact NH2-CE1 3.18Å; R273-H323 PolarHBondContact NH2-NE2 3.06Å; H323-K325 PolarHBondContact O-N 3.4Å; H323-D375 IonicContact CE1-OD2 3.39Å; H323-D375 IonicContact NE2-OD2 2.7Å; H323-D375 PolarHBondContact NE2-OD2 2.67Å; H323-D375 VanDerWaalsContact NE2-OD2 3.15Å; H323-S377 PolarHBondContact NE2-OG 3.43Å; H323-W379 AromaticContact CE1-CD1 3.22Å; H323-W379 AromaticContact CE1-CD2 3.74Å; H323-W379 AromaticContact CE1-CG 3.22Å; H323-W379 AromaticContact CE1-NE1 3.71Å; H323-W379 AromaticContact ND1-CD1 3.59Å; H323-W379 AromaticContact ND1-CG 4Å; H323-W379 AromaticContact ND1-NE1 3.7Å; H323-W379 AromaticContact NE2-CD1 3.68Å; H323-W379 AromaticContact NE2-CG 3.69Å
324	G	76.8	Confident	85.7	Confident	80 Å²	80	54 Å²	54	83%	0.825	29%	0.29	S	S	*	.	S	Bend	trans	68.9	-115.1	-176.5	0	0	0	0	0	112
325	K	76.3	Confident	85.6	Confident	185 Å²	185	56.3 Å²	56.3	80%	0.804	31%	0.307	S	S	*	.	S	Bend	trans	-90.6	115	176.1	-174	-179	178.5	-172.1	0	108.7	H323 D327	H323-K325 PolarHBondContact O-N 3.4Å; K325-D327 PolarHBondContact O-N 2.86Å; K325-D327 VanDerWaalsContact O-N 3.15Å
326	E	82.3	Confident	85.1	Confident	102 Å²	102	58 Å²	58	48%	0.477	33%	0.333	S	S	.	.			trans	-55.3	120.6	175.2	-68.2	-166.3	168	0	0	109.6	R266 I321	R266-E326 IonicContact CZ-OE2 3.27Å; R266-E326 IonicContact NE-OE1 2.78Å; R266-E326 IonicContact NE-OE2 3.91Å; R266-E326 PolarHBondContact NE-OE2 2.79Å; R266-E326 VanDerWaalsContact NE-OE2 3.15Å; R266-E326 IonicContact NH2-OE2 3.32Å; R266-E326 PolarHBondContact NH2-OE2 2.83Å; I321-E326 VanDerWaalsContact O-CA 3.32Å; I321-E326 WeakPolarHBondContact O-CA 3.25Å
327	D	84.8	Confident	84.8	Confident	75 Å²	75	62.3 Å²	62.3	40%	0.401	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	145.6	179.6	-167.1	22.3	0	0	0	110.1	I321 K325 K329	I321-D327 PolarHBondContact N-O 2.94Å; I321-D327 PolarHBondContact O-N 2.99Å; K325-D327 PolarHBondContact O-N 2.86Å; K325-D327 VanDerWaalsContact O-N 3.15Å; D327-K329 WeakPolarHBondContact OD2-CE 3.44Å
328	I	86.8	Confident	84.6	Confident	58 Å²	58	63.2 Å²	63.2	30%	0.297	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	120.3	-178	-51.7	173.5	0	0	0	108	Y263 I318 D319 Y320	Y263-I328 HydrophobicContact CD2-CD1 3.4Å; Y263-I328 VanDerWaalsContact CD2-CD1 3.4Å; Y263-I328 HydrophobicContact CE2-CD1 3.64Å; Y263-I328 HydrophobicContact CG-CD1 4.33Å; I318-I328 HydrophobicContact CG2-CG2 4.14Å; D319-I328 WeakPolarHBondContact O-CA 3.45Å; Y320-I328 HydrophobicContact CD1-CD1 4.24Å; Y320-I328 HydrophobicContact CD1-CG1 4.16Å; Y320-I328 HydrophobicContact CD1-CG2 4.06Å; Y320-I328 HydrophobicContact CE1-CD1 4.35Å; Y320-I328 HydrophobicContact CE1-CG2 4.02Å
329	K	85.8	Confident	84.2	Confident	99 Å²	99	65 Å²	65	43%	0.43	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	118.1	-177.9	-62.7	178.1	-176.8	176.6	0	109.2	I318 D319 I321 D327 I331	I318-K329 WeakPolarHBondContact CA-O 3.41Å; D319-K329 HydrophobicContact CB-CB 4.32Å; D319-K329 PolarHBondContact N-O 3.4Å; D319-K329 PolarHBondContact O-N 3.1Å; I321-K329 HydrophobicContact CD1-CD 4.41Å; D327-K329 WeakPolarHBondContact OD2-CE 3.44Å; K329-I331 HydrophobicContact CB-CG1 4.46Å
330	V	86.6	Confident	83.9	Confident	79 Å²	79	64.9 Å²	64.9	48%	0.479	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	115.3	172.8	-178	0	0	0	0	107.5	K316 I318	K316-V330 HydrophobicContact CD-CG1 4.02Å; K316-V330 HydrophobicContact CG-CG1 4.29Å; I318-V330 HydrophobicContact CG1-CG1 4.44Å; I318-V330 HydrophobicContact CG2-CG2 4.12Å
331	I	86.9	Confident	83.7	Confident	41 Å²	41	65.8 Å²	65.8	21%	0.21	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	105.6	-173.2	-56.3	169.8	0	0	0	108	K316 V317 K329 P334 H338	K316-I331 WeakPolarHBondContact CA-O 3.48Å; V317-I331 PolarHBondContact N-O 2.92Å; V317-I331 PolarHBondContact O-N 2.94Å; K329-I331 HydrophobicContact CB-CG1 4.46Å; I331-P334 HydrophobicContact CG2-CB 4.16Å; I331-H338 WeakPolarHBondContact CD1-NE2 3.41Å
332	P	86.1	Confident	83.5	Confident	85 Å²	85	67 Å²	67	55%	0.552	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.7	140.3	170.6	31.7	-31.9	0	0	0	109.7
333	N	85.4	Confident	83.5	Confident	126 Å²	126	66.6 Å²	66.6	67%	0.674	38%	0.381	S	S	*	.	S	Bend	trans	46.4	63.4	-179.4	-59.6	-35	0	0	0	112.3	Y315	Y315-N333 PolarHBondContact O-N 3.24Å; Y315-N333 PolarHBondContact O-OD1 3.22Å
334	P	87.5	Confident	84	Confident	16 Å²	16	66.5 Å²	66.5	10%	0.104	39%	0.389	C	S	.	.			trans	-57.1	137.4	-177.8	28.3	-38.5	0	0	0	110.6	F314 V317 I331 H338 L341	F314-P334 HydrophobicContact CB-CG 4.2Å; F314-P334 WeakPolarHBondContact O-CD 3.49Å; V317-P334 HydrophobicContact CB-CB 4.28Å; V317-P334 HydrophobicContact CB-CG 4.24Å; V317-P334 HydrophobicContact CG2-CB 4.08Å; V317-P334 HydrophobicContact CG2-CG 3.69Å; I331-P334 HydrophobicContact CG2-CB 4.16Å; P334-H338 HydrophobicContact CB-CB 4.38Å; P334-L341 HydrophobicContact CB-CD1 4Å; P334-L341 HydrophobicContact CG-CD1 3.83Å
335	P	85.3	Confident	84.7	Confident	69 Å²	69	62.7 Å²	62.7	45%	0.448	35%	0.35	S	S	.	.			trans	-70.9	155.3	176.1	35.6	-38.7	0	0	0	109.9	D337 H338	P335-D337 WeakPolarHBondContact CB-OD1 3.14Å; P335-D337 VanDerWaalsContact CG-OD1 3.24Å; P335-D337 WeakPolarHBondContact CG-OD1 3.4Å; P335-D337 PolarHBondContact O-N 2.96Å; P335-H338 HydrophobicContact CG-CB 4.32Å; P335-H338 WeakPolarHBondContact O-CB 3.3Å; P335-H338 PolarHBondContact O-N 2.91Å
336	A	77	Confident	85.4	Confident	94 Å²	94	54.1 Å²	54.1	78%	0.777	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-23.1	-175	0	0	0	0	0	113.6	H338	A336-H338 VanDerWaalsContact C-N 3.29Å
337	D	81.6	Confident	85.7	Confident	124 Å²	124	51.1 Å²	51.1	66%	0.663	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	1.9	175	64.4	-20.9	0	0	0	113.2	P335 W339	P335-D337 WeakPolarHBondContact CB-OD1 3.14Å; P335-D337 VanDerWaalsContact CG-OD1 3.24Å; P335-D337 WeakPolarHBondContact CG-OD1 3.4Å; P335-D337 PolarHBondContact O-N 2.96Å; D337-W339 PolarHBondContact O-N 3.42Å
338	H	86.3	Confident	86	Confident	19 Å²	19	52.3 Å²	52.3	9%	0.088	30%	0.302	C	S	.	.			trans	-55.6	128.5	174.3	-176.3	-98.6	0	0	0	110.2	D319 I331 P334 P335 A336 A340 L341 S342	D319-H338 IonicContact OD1-CE1 3.18Å; D319-H338 IonicContact OD2-CE1 2.75Å; D319-H338 PolarHBondContact OD2-CE1 3.43Å; D319-H338 IonicContact OD2-NE2 2.93Å; D319-H338 PolarHBondContact OD2-NE2 2.9Å; I331-H338 WeakPolarHBondContact CD1-NE2 3.41Å; P334-H338 HydrophobicContact CB-CB 4.38Å; P335-H338 HydrophobicContact CG-CB 4.32Å; P335-H338 WeakPolarHBondContact O-CB 3.3Å; P335-H338 PolarHBondContact O-N 2.91Å; A336-H338 VanDerWaalsContact C-N 3.29Å; H338-A340 PolarHBondContact ND1-N 2.87Å; H338-A340 PolarHBondContact O-N 3.17Å; H338-L341 CarbonylContact O-C 3.46Å; H338-L341 WeakPolarHBondContact O-CA 3.49Å; H338-L341 PolarHBondContact O-N 3.38Å; H338-S342 WeakPolarHBondContact O-CB 3.47Å; H338-S342 PolarHBondContact O-N 3.07Å
339	W	84.1	Confident	86.3	Confident	41 Å²	41	49.6 Å²	49.6	16%	0.155	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-34.4	-171.2	66.8	-84.9	0	0	0	115.1	D319 D337 L341 S342 L374 Y403	D319-W339 HydrophobicContact CB-CZ2 4.24Å; D319-W339 WeakPolarHBondContact OD2-CZ2 3.27Å; D319-W339 PolarHBondContact OD2-NE1 3.3Å; D319-W339 VanDerWaalsContact OD2-NE1 3.15Å; D337-W339 PolarHBondContact O-N 3.42Å; W339-L341 VanDerWaalsContact C-N 3.35Å; W339-S342 PolarHBondContact O-OG 3.2Å; W339-L374 HydrophobicContact CB-CD2 3.43Å; W339-L374 VanDerWaalsContact CB-CD2 3.43Å; W339-L374 HydrophobicContact CD2-CD2 4.16Å; W339-L374 HydrophobicContact CE3-CD1 4.45Å; W339-L374 HydrophobicContact CE3-CD2 4.31Å; W339-L374 HydrophobicContact CG-CD2 3.81Å; W339-Y403 HydrophobicContact CH2-CD2 4.32Å; W339-Y403 HydrophobicContact CH2-CE2 4.01Å; W339-Y403 HydrophobicContact CZ3-CD2 4.12Å; W339-Y403 HydrophobicContact CZ3-CE1 4.46Å; W339-Y403 AromaticContact CZ3-CE2 3.73Å; W339-Y403 HydrophobicContact CZ3-CE2 3.73Å; W339-Y403 AromaticContact CZ3-CZ 3.92Å
340	A	83.3	Confident	86.5	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.008	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-30.5	178	0	0	0	0	0	112.4	H338 P346 Y403	H338-A340 PolarHBondContact ND1-N 2.87Å; H338-A340 PolarHBondContact O-N 3.17Å; A340-P346 VanDerWaalsContact O-CG 3.24Å; A340-P346 WeakPolarHBondContact O-CG 3.29Å; A340-Y403 PolarHBondContact O-OH 3.22Å
341	L	85.2	Confident	86.7	Confident	21 Å²	21	45.5 Å²	45.5	11%	0.11	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-25.9	-177.6	-58.9	-179.1	0	0	0	112.6	F314 V317 P334 H338 W339 S343 G344 P346	F314-L341 HydrophobicContact CB-CD1 4.35Å; F314-L341 HydrophobicContact CD2-CD1 4.25Å; F314-L341 HydrophobicContact CD2-CD2 3.85Å; F314-L341 HydrophobicContact CE2-CD2 3.98Å; F314-L341 HydrophobicContact CG-CD2 4.24Å; F314-L341 HydrophobicContact CZ-CD2 4.48Å; V317-L341 HydrophobicContact CG2-CD1 4.24Å; V317-L341 HydrophobicContact CG2-CD2 4.4Å; V317-L341 HydrophobicContact CG2-CG 4.48Å; P334-L341 HydrophobicContact CB-CD1 4Å; P334-L341 HydrophobicContact CG-CD1 3.83Å; H338-L341 CarbonylContact O-C 3.46Å; H338-L341 WeakPolarHBondContact O-CA 3.49Å; H338-L341 PolarHBondContact O-N 3.38Å; W339-L341 VanDerWaalsContact C-N 3.35Å; L341-S343 PolarHBondContact O-N 3.46Å; L341-S343 VanDerWaalsContact O-N 3.09Å; L341-G344 PolarHBondContact O-N 3.31Å; L341-P346 HydrophobicContact CD2-CB 4.04Å; L341-P346 HydrophobicContact CD2-CG 4.16Å
342	S	84.6	Confident	86.8	Confident	42 Å²	42	44.8 Å²	44.8	29%	0.294	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-23.2	-172.8	67.2	0	0	0	0	113.8	H338 W339 G344	H338-S342 WeakPolarHBondContact O-CB 3.47Å; H338-S342 PolarHBondContact O-N 3.07Å; W339-S342 PolarHBondContact O-OG 3.2Å; S342-G344 PolarHBondContact O-N 3.33Å
343	S	84.3	Confident	86.9	Confident	9 Å²	9	42 Å²	42	6%	0.063	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-18.8	176.5	62.4	0	0	0	0	113.6	L341 L345 Q368	L341-S343 PolarHBondContact O-N 3.46Å; L341-S343 VanDerWaalsContact O-N 3.09Å; S343-L345 PolarHBondContact O-N 2.9Å; S343-L345 PolarHBondContact OG-N 3.43Å; S343-Q368 WeakPolarHBondContact CA-O 3.36Å; S343-Q368 PolarHBondContact O-N 3.02Å
344	G	86.8	Confident	87.1	Confident	31 Å²	31	42.3 Å²	42.3	32%	0.32	25%	0.246	S	C	.	.	S	Bend	trans	75.9	-7.9	-171.7	0	0	0	0	0	114.2	L341 S342 T347 Y348	L341-G344 PolarHBondContact O-N 3.31Å; S342-G344 PolarHBondContact O-N 3.33Å; G344-T347 PolarHBondContact O-N 3.43Å; G344-Y348 PolarHBondContact O-N 3.46Å
345	L	91.1	Very high	87.2	Confident	0 Å²	0	44 Å²	44	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-63.9	-48.4	-177.7	177.2	69	0	0	0	112.7	S343 T347 Y348 V349 C356 I358 F367 F369 V384 T401	S343-L345 PolarHBondContact O-N 2.9Å; S343-L345 PolarHBondContact OG-N 3.43Å; L345-T347 VanDerWaalsContact C-N 3.27Å; L345-T347 PolarHBondContact O-N 3.35Å; L345-Y348 PolarHBondContact O-N 3.4Å; L345-V349 HydrophobicContact CD1-CG2 4.27Å; L345-V349 WeakPolarHBondContact O-CG2 3.36Å; L345-V349 PolarHBondContact O-N 2.94Å; L345-C356 HydrophobicContact CD1-CB 3.77Å; L345-I358 HydrophobicContact CD1-CD1 4.13Å; L345-I358 HydrophobicContact CD2-CD1 4.07Å; L345-F367 HydrophobicContact CB-CD1 4.01Å; L345-F367 HydrophobicContact CB-CE1 4.22Å; L345-F367 HydrophobicContact CB-CG 4.3Å; L345-F367 HydrophobicContact CD1-CD1 4.35Å; L345-F367 HydrophobicContact CD1-CD2 4.11Å; L345-F367 HydrophobicContact CD1-CE1 3.95Å; L345-F367 HydrophobicContact CD1-CE2 3.69Å; L345-F367 HydrophobicContact CD1-CG 4.42Å; L345-F367 HydrophobicContact CD1-CZ 3.6Å; L345-F369 HydrophobicContact CD2-CZ 4.24Å; L345-V384 HydrophobicContact CD2-CB 4.44Å; L345-V384 HydrophobicContact CD2-CG1 3.62Å; L345-T401 HydrophobicContact CD2-CG2 4.46Å
346	P	91.6	Very high	87.5	Confident	4 Å²	4	41.4 Å²	41.4	3%	0.026	24%	0.237	C	C	.	.	H	α-helix	trans	-62.9	-34.6	178.6	-24.2	36.1	0	0	0	113.1	F314 A340 L341 V349 A350 V399	F314-P346 HydrophobicContact CE2-CB 4.41Å; F314-P346 HydrophobicContact CZ-CB 4.06Å; A340-P346 VanDerWaalsContact O-CG 3.24Å; A340-P346 WeakPolarHBondContact O-CG 3.29Å; L341-P346 HydrophobicContact CD2-CB 4.04Å; L341-P346 HydrophobicContact CD2-CG 4.16Å; P346-V349 PolarHBondContact O-N 3.38Å; P346-A350 WeakPolarHBondContact O-CB 3.47Å; P346-A350 PolarHBondContact O-N 2.9Å; P346-V399 HydrophobicContact CB-CB 4.48Å; P346-V399 HydrophobicContact CB-CG1 4.13Å
347	T	89.6	Confident	88.2	Confident	39 Å²	39	37.1 Å²	37.1	24%	0.239	20%	0.201	C	C	.	.	H	α-helix	trans	-64.6	-46.2	175.7	-52.1	0	0	0	0	111.1	P304 V312 G344 L345 V349 A350 E351	P304-T347 HydrophobicContact CB-CG2 4.19Å; P304-T347 HydrophobicContact CG-CG2 3.45Å; P304-T347 VanDerWaalsContact CG-CG2 3.45Å; V312-T347 HydrophobicContact CG1-CG2 4.19Å; G344-T347 PolarHBondContact O-N 3.43Å; L345-T347 VanDerWaalsContact C-N 3.27Å; L345-T347 PolarHBondContact O-N 3.35Å; T347-V349 VanDerWaalsContact C-N 3.33Å; T347-V349 PolarHBondContact O-N 3.11Å; T347-A350 PolarHBondContact O-N 3.44Å; T347-E351 WeakPolarHBondContact O-CB 3.46Å; T347-E351 PolarHBondContact O-N 3.13Å
348	Y	91.2	Very high	88.4	Confident	101 Å²	101	31.9 Å²	31.9	40%	0.396	17%	0.173	S	C	.	.	H	α-helix	trans	-61.9	-39.9	175.7	175.1	-97.6	0	0	0	112.4	G344 L345 E351 S352 F367	G344-Y348 PolarHBondContact O-N 3.46Å; L345-Y348 PolarHBondContact O-N 3.4Å; Y348-E351 PolarHBondContact O-N 3Å; Y348-S352 VanDerWaalsContact O-CB 3.3Å; Y348-S352 WeakPolarHBondContact O-CB 3.27Å; Y348-S352 PolarHBondContact O-N 3.27Å; Y348-S352 PolarHBondContact O-OG 2.83Å; Y348-F367 HydrophobicContact CD1-CE1 4.33Å; Y348-F367 AromaticContact CD1-CZ 3.82Å; Y348-F367 HydrophobicContact CD1-CZ 3.82Å; Y348-F367 HydrophobicContact CE1-CZ 4.41Å; Y348-F367 HydrophobicContact CG-CE1 4.11Å; Y348-F367 HydrophobicContact CG-CZ 4Å
349	V	92.3	Very high	88.1	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-67.5	-37.6	176.6	172	0	0	0	0	111.5	L345 P346 T347 G353 C356 P388 V399	L345-V349 HydrophobicContact CD1-CG2 4.27Å; L345-V349 WeakPolarHBondContact O-CG2 3.36Å; L345-V349 PolarHBondContact O-N 2.94Å; P346-V349 PolarHBondContact O-N 3.38Å; T347-V349 VanDerWaalsContact C-N 3.33Å; T347-V349 PolarHBondContact O-N 3.11Å; V349-G353 VanDerWaalsContact O-CA 3.3Å; V349-G353 WeakPolarHBondContact O-CA 3.47Å; V349-G353 PolarHBondContact O-N 3.49Å; V349-C356 HydrophobicContact CG2-CB 4.19Å; V349-P388 HydrophobicContact CG1-CB 4.06Å; V349-P388 HydrophobicContact CG1-CG 4.34Å; V349-V399 HydrophobicContact CB-CG1 4.07Å; V349-V399 HydrophobicContact CG1-CG1 3.78Å; V349-V399 HydrophobicContact CG1-CG2 4.22Å
350	A	89.9	Confident	88	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-67.8	-33.8	174.3	0	0	0	0	0	112.9	L279 V312 F314 P346 T347 I396 V399	L279-A350 HydrophobicContact CD1-CB 4.21Å; V312-A350 HydrophobicContact CG1-CB 3.66Å; V312-A350 HydrophobicContact CG2-CB 4.16Å; F314-A350 HydrophobicContact CZ-CB 4.3Å; P346-A350 WeakPolarHBondContact O-CB 3.47Å; P346-A350 PolarHBondContact O-N 2.9Å; T347-A350 PolarHBondContact O-N 3.44Å; A350-I396 WeakPolarHBondContact O-CD1 3.5Å; A350-V399 HydrophobicContact CB-CG2 3.85Å
351	E	89.7	Confident	88	Confident	93 Å²	93	35.7 Å²	35.7	44%	0.435	20%	0.196	S	C	.	.	H	α-helix	trans	-76.4	-45.5	177.4	177.8	174	-167.9	0	0	112.3	P304 P307 T347 Y348	P304-E351 HydrophobicContact CB-CB 4.45Å; P307-E351 WeakPolarHBondContact CD-O 3.4Å; P307-E351 WeakPolarHBondContact CG-O 3.41Å; T347-E351 WeakPolarHBondContact O-CB 3.46Å; T347-E351 PolarHBondContact O-N 3.13Å; Y348-E351 PolarHBondContact O-N 3Å
352	S	89.4	Confident	87.6	Confident	25 Å²	25	38.5 Å²	38.5	18%	0.175	22%	0.223	C	C	.	.	H	α-helix	trans	-85.6	-29.2	-175	63.6	0	0	0	0	114	Y348 F354	Y348-S352 VanDerWaalsContact O-CB 3.3Å; Y348-S352 WeakPolarHBondContact O-CB 3.27Å; Y348-S352 PolarHBondContact O-N 3.27Å; Y348-S352 PolarHBondContact O-OG 2.83Å; S352-F354 PolarHBondContact O-N 3.02Å; S352-F354 PolarHBondContact OG-N 3.24Å
353	G	88.1	Confident	87.3	Confident	27 Å²	27	39.8 Å²	39.8	28%	0.278	24%	0.236	S	C	.	.			trans	69.2	15.8	-170.4	0	0	0	0	0	114.1	V349	V349-G353 VanDerWaalsContact O-CA 3.3Å; V349-G353 WeakPolarHBondContact O-CA 3.47Å; V349-G353 PolarHBondContact O-N 3.49Å
354	F	89.6	Confident	87.1	Confident	132 Å²	132	41.6 Å²	41.6	58%	0.579	25%	0.245	S	C	*	.			trans	-100.9	148.7	-178.1	-59.9	-36.8	0	0	0	113.5	S352	S352-F354 PolarHBondContact O-N 3.02Å; S352-F354 PolarHBondContact OG-N 3.24Å
355	I	91.3	Very high	86.8	Confident	51 Å²	51	49.5 Å²	49.5	26%	0.262	27%	0.273	S	S	.	.			trans	-74.1	133	172.4	-61.9	171.4	0	0	0	109.1	L385 L387 E420	I355-L385 HydrophobicContact CG2-CD1 4.01Å; I355-L387 HydrophobicContact CD1-CD2 3.82Å; I355-L387 HydrophobicContact CD1-CG 4.5Å; I355-L387 HydrophobicContact CG1-CD2 3.9Å; I355-L387 HydrophobicContact CG1-CG 4.04Å; I355-L387 HydrophobicContact CG2-CD2 4.23Å; I355-L387 HydrophobicContact CG2-CG 4.01Å; I355-E420 HydrophobicContact CD1-CB 4.28Å; I355-E420 HydrophobicContact CD1-CG 4.05Å
356	C	90.9	Very high	86.4	Confident	16 Å²	16	54.5 Å²	54.5	11%	0.108	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	114	179.8	-67.6	0	0	0	0	111	L345 V349 L385 S386	L345-C356 HydrophobicContact CD1-CB 3.77Å; V349-C356 HydrophobicContact CG2-CB 4.19Å; C356-L385 WeakPolarHBondContact O-CA 3.15Å; C356-S386 PolarHBondContact N-O 3.1Å; C356-S386 PolarHBondContact O-N 3.42Å
357	N	90.5	Very high	86.1	Confident	4 Å²	4	56 Å²	56	2%	0.021	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	114.6	174.1	-175	-2.6	0	0	0	111.3	R101 L385 F411 E416	R101-N357 HydrophobicContact CG-CB 4.42Å; R101-N357 PolarHBondContact NH1-O 3.04Å; N357-L385 HydrophobicContact CB-CD1 3.93Å; N357-F411 PolarHBondContact ND2-O 3.48Å; N357-E416 WeakPolarHBondContact CB-OE1 3.29Å; N357-E416 PolarHBondContact ND2-OE1 2.93Å
358	I	87.5	Confident	85.7	Confident	13 Å²	13	62 Å²	62	7%	0.067	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	118.4	-177.6	-59.7	171.5	0	0	0	109.4	L345 D364 F367 F369 N383 V384	L345-I358 HydrophobicContact CD1-CD1 4.13Å; L345-I358 HydrophobicContact CD2-CD1 4.07Å; I358-D364 HydrophobicContact CG2-CB 4.22Å; I358-F367 HydrophobicContact CD1-CD2 3.64Å; I358-F367 HydrophobicContact CD1-CE2 4.06Å; I358-F369 HydrophobicContact CD1-CE2 3.82Å; I358-F369 HydrophobicContact CD1-CZ 3.61Å; I358-F369 HydrophobicContact CG2-CE2 4.38Å; I358-N383 WeakPolarHBondContact O-CA 3.41Å; I358-N383 WeakPolarHBondContact O-CB 3.31Å; I358-V384 HydrophobicContact CB-CB 4.43Å; I358-V384 PolarHBondContact N-O 2.97Å; I358-V384 PolarHBondContact O-N 3.11Å
359	M	79.1	Confident	85.3	Confident	52 Å²	52	58.3 Å²	58.3	26%	0.256	32%	0.322	S	S	.	.	S	Bend	trans	-78.9	-42.3	-173.2	-60.6	-81.7	-73.5	0	0	113.1	N383 P410	M359-N383 WeakPolarHBondContact O-CB 3.49Å; M359-P410 HydrophobicContact CE-CB 3.44Å; M359-P410 VanDerWaalsContact CE-CB 3.44Å; M359-P410 HydrophobicContact CE-CG 3.32Å; M359-P410 HydrophobicContact SD-CB 3.2Å; M359-P410 WeakPolarHBondContact SD-CB 3.46Å; M359-P410 HydrophobicContact SD-CG 3.81Å
360	N	81.8	Confident	84.6	Confident	85 Å²	85	62.2 Å²	62.2	46%	0.455	34%	0.34	S	S	.	.			trans	-136	97	-178.6	-177.8	-3.8	0	0	0	108	A362 A363 D364 K382	N360-A362 PolarHBondContact O-N 3.21Å; N360-A362 WeakPolarHBondContact OD1-CB 3.44Å; N360-A362 PolarHBondContact OD1-N 3.02Å; N360-A362 VanDerWaalsContact OD1-N 3.08Å; N360-A363 HydrophobicContact CB-CB 4.16Å; N360-A363 PolarHBondContact O-N 3.42Å; N360-A363 VanDerWaalsContact O-N 3.14Å; N360-A363 PolarHBondContact OD1-N 3.06Å; N360-D364 PolarHBondContact O-N 3.39Å; N360-K382 CarbonylContact C-O 3.56Å; N360-K382 VanDerWaalsContact CA-O 3.28Å; N360-K382 WeakPolarHBondContact CA-O 3.46Å
361	A	82.7	Confident	83.9	Confident	4 Å²	4	68 Å²	68	3%	0.033	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-59.4	-29.7	-179.5	0	0	0	0	0	112.7	A363 F369 I381 K382 V384	A361-A363 VanDerWaalsContact C-N 3.35Å; A361-F369 HydrophobicContact CB-CB 4.13Å; A361-F369 HydrophobicContact CB-CD1 4.26Å; A361-F369 HydrophobicContact CB-CD2 3.69Å; A361-F369 HydrophobicContact CB-CE2 4.12Å; A361-F369 HydrophobicContact CB-CG 3.75Å; A361-F369 VanDerWaalsContact O-CD2 3.31Å; A361-F369 WeakPolarHBondContact O-CD2 3.41Å; A361-I381 HydrophobicContact CB-CB 4.36Å; A361-I381 HydrophobicContact CB-CG2 3.7Å; A361-K382 PolarHBondContact N-O 3.43Å; A361-V384 HydrophobicContact CB-CG2 4.4Å
362	A	78.4	Confident	83.4	Confident	81 Å²	81	70.8 Å²	70.8	67%	0.669	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-75.9	-22.2	179.7	0	0	0	0	0	113.7	N360	N360-A362 PolarHBondContact O-N 3.21Å; N360-A362 WeakPolarHBondContact OD1-CB 3.44Å; N360-A362 PolarHBondContact OD1-N 3.02Å; N360-A362 VanDerWaalsContact OD1-N 3.08Å
363	A	78	Confident	83	Confident	69 Å²	69	73.2 Å²	73.2	57%	0.57	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-97	-2.5	179.1	0	0	0	0	0	113	N360 A361	N360-A363 HydrophobicContact CB-CB 4.16Å; N360-A363 PolarHBondContact O-N 3.42Å; N360-A363 VanDerWaalsContact O-N 3.14Å; N360-A363 PolarHBondContact OD1-N 3.06Å; A361-A363 VanDerWaalsContact C-N 3.35Å
364	D	80.4	Confident	82.5	Confident	46 Å²	46	73.9 Å²	73.9	25%	0.246	40%	0.401	C	S	.	.			trans	-80	124.4	-179.1	-165.4	-86.1	0	0	0	110.7	I358 N360 T366 F367 F369	I358-D364 HydrophobicContact CG2-CB 4.22Å; N360-D364 PolarHBondContact O-N 3.39Å; D364-T366 WeakPolarHBondContact OD1-CA 3.38Å; D364-T366 WeakPolarHBondContact OD1-CB 3.32Å; D364-T366 PolarHBondContact OD1-N 3.48Å; D364-T366 PolarHBondContact OD1-OG1 3.04Å; D364-F367 PolarHBondContact OD1-N 3.06Å; D364-F369 HydrophobicContact CB-CE2 4.35Å
365	E	79.9	Confident	81.9	Confident	197 Å²	197	69.9 Å²	69.9	92%	0.921	39%	0.385	S	S	*	.	S	Bend	trans	-90.2	-11.6	179.2	-63	-177.4	176.7	0	0	112.5
366	T	82.9	Confident	81	Confident	106 Å²	106	76 Å²	76	65%	0.65	42%	0.418	S	S	*	.	S	Bend	trans	-88.6	-34.2	-172.7	60.4	0	0	0	0	112.9	D364	D364-T366 WeakPolarHBondContact OD1-CA 3.38Å; D364-T366 WeakPolarHBondContact OD1-CB 3.32Å; D364-T366 PolarHBondContact OD1-N 3.48Å; D364-T366 PolarHBondContact OD1-OG1 3.04Å
367	F	85.2	Confident	80.3	Confident	34 Å²	34	78.8 Å²	78.8	15%	0.149	44%	0.438	C	S	.	.	S	Bend	trans	-120.4	145	-179	-59.1	-73.4	0	0	0	111.6	L345 Y348 I358 D364 F369	L345-F367 HydrophobicContact CB-CD1 4.01Å; L345-F367 HydrophobicContact CB-CE1 4.22Å; L345-F367 HydrophobicContact CB-CG 4.3Å; L345-F367 HydrophobicContact CD1-CD1 4.35Å; L345-F367 HydrophobicContact CD1-CD2 4.11Å; L345-F367 HydrophobicContact CD1-CE1 3.95Å; L345-F367 HydrophobicContact CD1-CE2 3.69Å; L345-F367 HydrophobicContact CD1-CG 4.42Å; L345-F367 HydrophobicContact CD1-CZ 3.6Å; Y348-F367 HydrophobicContact CD1-CE1 4.33Å; Y348-F367 AromaticContact CD1-CZ 3.82Å; Y348-F367 HydrophobicContact CD1-CZ 3.82Å; Y348-F367 HydrophobicContact CE1-CZ 4.41Å; Y348-F367 HydrophobicContact CG-CE1 4.11Å; Y348-F367 HydrophobicContact CG-CZ 4Å; I358-F367 HydrophobicContact CD1-CD2 3.64Å; I358-F367 HydrophobicContact CD1-CE2 4.06Å; D364-F367 PolarHBondContact OD1-N 3.06Å; F367-F369 HydrophobicContact CB-CD2 4.19Å; F367-F369 HydrophobicContact CB-CE2 3.57Å; F367-F369 HydrophobicContact CB-CZ 3.9Å; F367-F369 HydrophobicContact CG-CE2 4.48Å; F367-F369 PolarHBondContact O-N 2.78Å
368	Q	81.3	Confident	79.8	Confident	166 Å²	166	80.7 Å²	80.7	78%	0.776	46%	0.459	S	S	*	.			trans	-93.9	87.8	-177.6	-66.6	-175.1	5	0	0	110.9	S343	S343-Q368 WeakPolarHBondContact CA-O 3.36Å; S343-Q368 PolarHBondContact O-N 3.02Å
369	F	83.1	Confident	79.8	Confident	24 Å²	24	81 Å²	81	11%	0.105	46%	0.459	C	S	.	.			trans	-81.3	143.6	173	-62.7	-76.5	0	0	0	111.7	L345 I358 A361 D364 F367 T371 I381 V384	L345-F369 HydrophobicContact CD2-CZ 4.24Å; I358-F369 HydrophobicContact CD1-CE2 3.82Å; I358-F369 HydrophobicContact CD1-CZ 3.61Å; I358-F369 HydrophobicContact CG2-CE2 4.38Å; A361-F369 HydrophobicContact CB-CB 4.13Å; A361-F369 HydrophobicContact CB-CD1 4.26Å; A361-F369 HydrophobicContact CB-CD2 3.69Å; A361-F369 HydrophobicContact CB-CE2 4.12Å; A361-F369 HydrophobicContact CB-CG 3.75Å; A361-F369 VanDerWaalsContact O-CD2 3.31Å; A361-F369 WeakPolarHBondContact O-CD2 3.41Å; D364-F369 HydrophobicContact CB-CE2 4.35Å; F367-F369 HydrophobicContact CB-CD2 4.19Å; F367-F369 HydrophobicContact CB-CE2 3.57Å; F367-F369 HydrophobicContact CB-CZ 3.9Å; F367-F369 HydrophobicContact CG-CE2 4.48Å; F367-F369 PolarHBondContact O-N 2.78Å; F369-T371 PolarHBondContact O-N 3.48Å; F369-I381 HydrophobicContact CD1-CD1 4.14Å; F369-I381 HydrophobicContact CD1-CG2 4.27Å; F369-V384 HydrophobicContact CE1-CG2 3.91Å; F369-V384 HydrophobicContact CZ-CG2 4.24Å
370	Q	77.7	Confident	80.2	Confident	81 Å²	81	80.8 Å²	80.8	38%	0.379	46%	0.461	S	S	.	.			trans	-68.3	130.4	176.1	-64.9	-177.3	4	0	0	110.3
371	T	74	Confident	80.4	Confident	123 Å²	123	77.5 Å²	77.5	76%	0.755	44%	0.443	S	S	*	.			trans	-89.9	-22.8	179.1	46.7	0	0	0	0	112.9	F369	F369-T371 PolarHBondContact O-N 3.48Å
372	E	79.3	Confident	80.7	Confident	150 Å²	150	82.1 Å²	82.1	70%	0.701	46%	0.462	S	S	*	.	S	Bend	trans	-80.9	153.3	175.3	-64.6	-171.7	175	0	0	111.5	L374	E372-L374 PolarHBondContact O-N 3.28Å
373	P	80.4	Confident	81.2	Confident	77 Å²	77	78.6 Å²	78.6	50%	0.5	43%	0.432	S	S	.	.			trans	-57.4	131.4	172.6	-25.7	35.7	0	0	0	112.6	D375 W379 T380	P373-D375 PolarHBondContact O-N 3.29Å; P373-W379 WeakPolarHBondContact CA-O 3.33Å; P373-T380 HydrophobicContact CG-CG2 4.36Å
374	L	78.1	Confident	81.8	Confident	41 Å²	41	75.3 Å²	75.3	22%	0.215	41%	0.405	C	S	.	.	S	Bend	trans	-74	-16.6	179.2	-85.5	147.3	0	0	0	113.6	W339 E372 W379 I381	W339-L374 HydrophobicContact CB-CD2 3.43Å; W339-L374 VanDerWaalsContact CB-CD2 3.43Å; W339-L374 HydrophobicContact CD2-CD2 4.16Å; W339-L374 HydrophobicContact CE3-CD1 4.45Å; W339-L374 HydrophobicContact CE3-CD2 4.31Å; W339-L374 HydrophobicContact CG-CD2 3.81Å; E372-L374 PolarHBondContact O-N 3.28Å; L374-W379 HydrophobicContact CB-CE3 4.28Å; L374-W379 HydrophobicContact CD1-CE3 3.69Å; L374-W379 HydrophobicContact CD1-CZ3 3.46Å; L374-W379 VanDerWaalsContact CD1-CZ3 3.46Å; L374-W379 PolarHBondContact N-O 2.98Å; L374-I381 HydrophobicContact CD1-CD1 4.01Å; L374-I381 HydrophobicContact CD1-CG1 3.87Å
375	D	77.4	Confident	82.5	Confident	47 Å²	47	73.1 Å²	73.1	25%	0.251	39%	0.393	S	S	.	.	S	Bend	trans	-150.7	170.9	179.7	62.3	15.3	0	0	0	112	R273 H323 P373 S377 G378 W379	R273-D375 IonicContact CZ-OD2 3.85Å; R273-D375 IonicContact NH2-OD2 3.59Å; R273-D375 PolarHBondContact NH2-OD2 2.94Å; H323-D375 IonicContact CE1-OD2 3.39Å; H323-D375 IonicContact NE2-OD2 2.7Å; H323-D375 PolarHBondContact NE2-OD2 2.67Å; H323-D375 VanDerWaalsContact NE2-OD2 3.15Å; P373-D375 PolarHBondContact O-N 3.29Å; D375-S377 PolarHBondContact O-N 3.15Å; D375-S377 WeakPolarHBondContact OD1-CA 3.3Å; D375-S377 VanDerWaalsContact OD1-CB 3.31Å; D375-S377 WeakPolarHBondContact OD1-CB 3.31Å; D375-S377 PolarHBondContact OD1-N 3.46Å; D375-S377 VanDerWaalsContact OD1-N 3.12Å; D375-S377 PolarHBondContact OD1-OG 3.45Å; D375-S377 PolarHBondContact OD2-OG 3.18Å; D375-S377 VanDerWaalsContact OD2-OG 3.11Å; D375-G378 PolarHBondContact O-N 2.82Å; D375-G378 VanDerWaalsContact O-N 3.07Å; D375-G378 PolarHBondContact OD1-N 3.17Å; D375-W379 WeakPolarHBondContact OD1-CB 3.31Å; D375-W379 PolarHBondContact OD1-N 2.99Å
376	D	72.3	Confident	83.1	Confident	179 Å²	179	63.8 Å²	63.8	96%	0.957	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-9.7	177.6	-58.4	-33.4	0	0	0	113.4	G378	D376-G378 VanDerWaalsContact C-N 3.28Å
377	S	76.7	Confident	83.7	Confident	76 Å²	76	58.8 Å²	58.8	53%	0.531	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-8.3	177.4	82.9	0	0	0	0	113.1	H323 D375	H323-S377 PolarHBondContact NE2-OG 3.43Å; D375-S377 PolarHBondContact O-N 3.15Å; D375-S377 WeakPolarHBondContact OD1-CA 3.3Å; D375-S377 VanDerWaalsContact OD1-CB 3.31Å; D375-S377 WeakPolarHBondContact OD1-CB 3.31Å; D375-S377 PolarHBondContact OD1-N 3.46Å; D375-S377 VanDerWaalsContact OD1-N 3.12Å; D375-S377 PolarHBondContact OD1-OG 3.45Å; D375-S377 PolarHBondContact OD2-OG 3.18Å; D375-S377 VanDerWaalsContact OD2-OG 3.11Å
378	G	80.2	Confident	84.2	Confident	43 Å²	43	57.8 Å²	57.8	44%	0.443	32%	0.316	S	S	.	.			trans	81.7	15.5	-176.6	0	0	0	0	0	113.3	D375 D376 T380	D375-G378 PolarHBondContact O-N 2.82Å; D375-G378 VanDerWaalsContact O-N 3.07Å; D375-G378 PolarHBondContact OD1-N 3.17Å; D376-G378 VanDerWaalsContact C-N 3.28Å; G378-T380 PolarHBondContact O-N 3.13Å
379	W	87.3	Confident	84.8	Confident	20 Å²	20	49.9 Å²	49.9	8%	0.076	28%	0.279	C	S	.	.			trans	-75.3	127.7	-173.8	-170.1	92.5	0	0	0	111.8	D272 R273 H323 P373 L374 D375 I381 Y403 N404	D272-W379 HydrophobicContact CB-CZ2 4.26Å; D272-W379 PolarHBondContact OD2-NE1 3.38Å; R273-W379 HydrophobicContact CB-CH2 4.33Å; R273-W379 HydrophobicContact CB-CZ2 4.2Å; R273-W379 HydrophobicContact CG-CH2 4.24Å; R273-W379 HydrophobicContact CG-CZ2 3.93Å; H323-W379 AromaticContact CE1-CD1 3.22Å; H323-W379 AromaticContact CE1-CD2 3.74Å; H323-W379 AromaticContact CE1-CG 3.22Å; H323-W379 AromaticContact CE1-NE1 3.71Å; H323-W379 AromaticContact ND1-CD1 3.59Å; H323-W379 AromaticContact ND1-CG 4Å; H323-W379 AromaticContact ND1-NE1 3.7Å; H323-W379 AromaticContact NE2-CD1 3.68Å; H323-W379 AromaticContact NE2-CG 3.69Å; P373-W379 WeakPolarHBondContact CA-O 3.33Å; L374-W379 HydrophobicContact CB-CE3 4.28Å; L374-W379 HydrophobicContact CD1-CE3 3.69Å; L374-W379 HydrophobicContact CD1-CZ3 3.46Å; L374-W379 VanDerWaalsContact CD1-CZ3 3.46Å; L374-W379 PolarHBondContact N-O 2.98Å; D375-W379 WeakPolarHBondContact OD1-CB 3.31Å; D375-W379 PolarHBondContact OD1-N 2.99Å; W379-I381 HydrophobicContact CH2-CG1 3.93Å; W379-I381 HydrophobicContact CZ3-CG1 3.63Å; W379-Y403 HydrophobicContact CH2-CG 4.21Å; W379-N404 HydrophobicContact CZ2-CB 4.02Å; W379-N404 WeakPolarHBondContact CZ2-ND2 3.45Å; W379-N404 PolarHBondContact NE1-ND2 3.41Å
380	T	86.4	Confident	85.1	Confident	48 Å²	48	50.8 Å²	50.8	29%	0.294	29%	0.286	S	S	.	.			trans	-126.6	152.9	179.2	49.1	0	0	0	0	110.2	P373 G378 K382 N404	P373-T380 HydrophobicContact CG-CG2 4.36Å; G378-T380 PolarHBondContact O-N 3.13Å; T380-K382 PolarHBondContact O-N 2.95Å; T380-N404 PolarHBondContact O-ND2 3.29Å
381	I	87.7	Confident	85.5	Confident	16 Å²	16	48 Å²	48	8%	0.082	27%	0.274	C	S	.	.			trans	-78.8	119.2	-179.9	-58	173.9	0	0	0	108.6	A361 F369 L374 W379 V384 Y403	A361-I381 HydrophobicContact CB-CB 4.36Å; A361-I381 HydrophobicContact CB-CG2 3.7Å; F369-I381 HydrophobicContact CD1-CD1 4.14Å; F369-I381 HydrophobicContact CD1-CG2 4.27Å; L374-I381 HydrophobicContact CD1-CD1 4.01Å; L374-I381 HydrophobicContact CD1-CG1 3.87Å; W379-I381 HydrophobicContact CH2-CG1 3.93Å; W379-I381 HydrophobicContact CZ3-CG1 3.63Å; I381-V384 HydrophobicContact CG2-CG2 3.24Å; I381-Y403 HydrophobicContact CD1-CD1 4.21Å; I381-Y403 HydrophobicContact CD1-CE1 4.19Å; I381-Y403 HydrophobicContact CG1-CD1 4.35Å; I381-Y403 HydrophobicContact CG2-CD1 4.05Å
382	K	87.4	Confident	85.8	Confident	101 Å²	101	49.5 Å²	49.5	44%	0.439	27%	0.27	S	S	.	.			trans	-103.5	-55.1	177.4	-59.7	-176.1	177	-169.5	0	111.1	N360 A361 T380 N404	N360-K382 CarbonylContact C-O 3.56Å; N360-K382 VanDerWaalsContact CA-O 3.28Å; N360-K382 WeakPolarHBondContact CA-O 3.46Å; A361-K382 PolarHBondContact N-O 3.43Å; T380-K382 PolarHBondContact O-N 2.95Å; K382-N404 WeakPolarHBondContact CA-OD1 3.26Å; K382-N404 WeakPolarHBondContact CB-OD1 3.23Å; K382-N404 PolarHBondContact N-OD1 3.11Å
383	N	89	Confident	86	Confident	7 Å²	7	47.7 Å²	47.7	4%	0.037	26%	0.26	C	S	.	.			trans	-133	148.7	178.3	54.8	62.2	0	0	0	111.4	I358 M359 N404 R405 K409 F411	I358-N383 WeakPolarHBondContact O-CA 3.41Å; I358-N383 WeakPolarHBondContact O-CB 3.31Å; M359-N383 WeakPolarHBondContact O-CB 3.49Å; N383-N404 PolarHBondContact N-OD1 3.35Å; N383-N404 VanDerWaalsContact N-OD1 3.14Å; N383-N404 PolarHBondContact O-N 2.96Å; N383-N404 PolarHBondContact O-OD1 3.27Å; N383-N404 WeakPolarHBondContact OD1-CA 3.41Å; N383-N404 PolarHBondContact OD1-N 3.39Å; N383-R405 PolarHBondContact OD1-N 2.91Å; N383-K409 PolarHBondContact ND2-O 3.04Å; N383-K409 VanDerWaalsContact ND2-O 3.12Å; N383-F411 HydrophobicContact CB-CD2 4.38Å; N383-F411 HydrophobicContact CB-CE2 4.49Å; N383-F411 WeakPolarHBondContact OD1-CE2 3.37Å
384	V	91.8	Very high	86.1	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	136	-172.3	-169.7	0	0	0	0	110.5	L345 I358 A361 F369 I381 T401 F402 Y403	L345-V384 HydrophobicContact CD2-CB 4.44Å; L345-V384 HydrophobicContact CD2-CG1 3.62Å; I358-V384 HydrophobicContact CB-CB 4.43Å; I358-V384 PolarHBondContact N-O 2.97Å; I358-V384 PolarHBondContact O-N 3.11Å; A361-V384 HydrophobicContact CB-CG2 4.4Å; F369-V384 HydrophobicContact CE1-CG2 3.91Å; F369-V384 HydrophobicContact CZ-CG2 4.24Å; I381-V384 HydrophobicContact CG2-CG2 3.24Å; V384-T401 HydrophobicContact CG1-CG2 3.51Å; V384-F402 WeakPolarHBondContact CA-O 3.31Å; V384-Y403 HydrophobicContact CB-CD1 4.37Å; V384-Y403 HydrophobicContact CG1-CD1 3.84Å; V384-Y403 HydrophobicContact CG1-CE1 3.74Å; V384-Y403 HydrophobicContact CG2-CD1 3.76Å; V384-Y403 HydrophobicContact CG2-CE1 4.13Å
385	L	93.6	Very high	86.5	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	119.3	172.3	172.9	62.7	0	0	0	109	I355 C356 N357 L387 T401 F402 F411 E416 M419	I355-L385 HydrophobicContact CG2-CD1 4.01Å; C356-L385 WeakPolarHBondContact O-CA 3.15Å; N357-L385 HydrophobicContact CB-CD1 3.93Å; L385-L387 HydrophobicContact CD1-CD1 3.97Å; L385-L387 HydrophobicContact CD2-CD1 4.07Å; L385-L387 HydrophobicContact CG-CD1 3.62Å; L385-T401 CarbonylContact O-C 3.56Å; L385-T401 WeakPolarHBondContact O-CA 3.36Å; L385-F402 HydrophobicContact CB-CB 4.5Å; L385-F402 PolarHBondContact N-O 3.08Å; L385-F402 PolarHBondContact O-N 3.43Å; L385-F411 HydrophobicContact CB-CB 4.36Å; L385-F411 HydrophobicContact CB-CD1 4.35Å; L385-F411 HydrophobicContact CB-CD2 3.68Å; L385-F411 HydrophobicContact CB-CE2 3.99Å; L385-F411 HydrophobicContact CB-CG 3.87Å; L385-F411 HydrophobicContact CB-CZ 4.45Å; L385-F411 HydrophobicContact CD2-CB 4.34Å; L385-F411 HydrophobicContact CD2-CD1 4.12Å; L385-F411 HydrophobicContact CD2-CG 4.18Å; L385-E416 HydrophobicContact CD1-CG 3.93Å; L385-M419 HydrophobicContact CD2-CB 4.26Å; L385-M419 HydrophobicContact CD2-CG 3.85Å
386	S	94.4	Very high	87.1	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	132.4	-178.3	-162.5	0	0	0	0	111.5	C356 V399 A400 T401	C356-S386 PolarHBondContact N-O 3.1Å; C356-S386 PolarHBondContact O-N 3.42Å; S386-V399 WeakPolarHBondContact OG-CG1 3.31Å; S386-A400 WeakPolarHBondContact CA-O 3.4Å; S386-T401 PolarHBondContact OG-OG1 3.29Å
387	L	95.4	Very high	87.9	Confident	1 Å²	1	41 Å²	41	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	143.3	-176.5	-61.1	94.7	0	0	0	111.7	I355 L385 V399 A400 F402 M419 E420 T423	I355-L387 HydrophobicContact CD1-CD2 3.82Å; I355-L387 HydrophobicContact CD1-CG 4.5Å; I355-L387 HydrophobicContact CG1-CD2 3.9Å; I355-L387 HydrophobicContact CG1-CG 4.04Å; I355-L387 HydrophobicContact CG2-CD2 4.23Å; I355-L387 HydrophobicContact CG2-CG 4.01Å; L385-L387 HydrophobicContact CD1-CD1 3.97Å; L385-L387 HydrophobicContact CD2-CD1 4.07Å; L385-L387 HydrophobicContact CG-CD1 3.62Å; L387-V399 WeakPolarHBondContact O-CA 3.5Å; L387-A400 PolarHBondContact N-O 3.42Å; L387-A400 PolarHBondContact O-N 2.91Å; L387-F402 HydrophobicContact CD1-CD2 4.08Å; L387-F402 HydrophobicContact CD1-CE2 3.96Å; L387-M419 HydrophobicContact CD1-CB 3.71Å; L387-M419 HydrophobicContact CD2-CB 4.08Å; L387-E420 HydrophobicContact CD2-CB 3.83Å; L387-T423 HydrophobicContact CB-CG2 4.23Å
388	P	94.6	Very high	88.6	Confident	13 Å²	13	37.4 Å²	37.4	8%	0.084	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	145.8	171.1	33.1	-34.5	0	0	0	110.9	V349 V390 I396	V349-P388 HydrophobicContact CG1-CB 4.06Å; V349-P388 HydrophobicContact CG1-CG 4.34Å; P388-V390 HydrophobicContact CB-CG2 3.97Å; P388-V390 HydrophobicContact CG-CG2 4.1Å; P388-I396 HydrophobicContact CB-CD1 4.5Å; P388-I396 HydrophobicContact CB-CG2 4.32Å
389	I	93.4	Very high	89.3	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	111.2	168.5	-57.6	176.9	0	0	0	106.9	F258 V276 V397 G398 A400 T423 L426	F258-I389 HydrophobicContact CD2-CD1 4.32Å; F258-I389 HydrophobicContact CE2-CD1 3.81Å; F258-I389 HydrophobicContact CE2-CG2 4.01Å; F258-I389 HydrophobicContact CZ-CG2 4.04Å; V276-I389 HydrophobicContact CG1-CD1 3.77Å; I389-V397 HydrophobicContact CG2-CB 4.46Å; I389-V397 PolarHBondContact O-N 3.48Å; I389-G398 PolarHBondContact N-O 3.04Å; I389-G398 PolarHBondContact O-N 3.29Å; I389-A400 HydrophobicContact CD1-CB 4.27Å; I389-A400 HydrophobicContact CG1-CB 4.36Å; I389-T423 HydrophobicContact CG1-CG2 4.03Å; I389-L426 HydrophobicContact CG2-CB 4.38Å
390	V	89.6	Confident	89.7	Confident	43 Å²	43	34.5 Å²	34.5	26%	0.261	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	130.1	-170.9	-171.4	0	0	0	0	110.4	P388 I396 G427	P388-V390 HydrophobicContact CB-CG2 3.97Å; P388-V390 HydrophobicContact CG-CG2 4.1Å; V390-I396 HydrophobicContact CG2-CG1 4.41Å; V390-G427 CarbonylContact O-C 3.56Å; V390-G427 VanDerWaalsContact O-CA 3.29Å; V390-G427 WeakPolarHBondContact O-CA 3.19Å
391	N	86.3	Confident	90.1	Very high	23 Å²	23	32.3 Å²	32.3	12%	0.123	15%	0.152	C	C	.	.			trans	-76.4	174.9	176.6	74.6	15	0	0	0	112.4	K393 E394 E395 V397 G427	N391-K393 PolarHBondContact O-N 2.96Å; N391-K393 VanDerWaalsContact O-N 3.08Å; N391-K393 VanDerWaalsContact OD1-CA 3.3Å; N391-K393 WeakPolarHBondContact OD1-CA 3.39Å; N391-K393 WeakPolarHBondContact OD1-CB 3.09Å; N391-K393 PolarHBondContact OD1-N 3.12Å; N391-E394 PolarHBondContact O-N 3.35Å; N391-E394 PolarHBondContact OD1-N 3.12Å; N391-E395 PolarHBondContact N-O 2.79Å; N391-E395 PolarHBondContact ND2-OE2 2.86Å; N391-E395 WeakPolarHBondContact OD1-CB 3.31Å; N391-E395 PolarHBondContact OD1-N 3.49Å; N391-E395 PolarHBondContact OD1-O 3.02Å; N391-V397 HydrophobicContact CB-CG2 3.68Å; N391-G427 WeakPolarHBondContact CA-O 3.45Å
392	K	81.3	Confident	90.4	Very high	154 Å²	154	31.6 Å²	31.6	67%	0.67	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-16.8	178.5	-172.9	174	177.8	-178.6	0	114	E394 L431	K392-E394 VanDerWaalsContact C-N 3.32Å; K392-L431 HydrophobicContact CB-CD2 4.5Å; K392-L431 HydrophobicContact CD-CD2 4.19Å
393	K	82.3	Confident	90.6	Very high	113 Å²	113	26.9 Å²	26.9	49%	0.491	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	9.1	177.7	-60.4	177.8	-177.7	168.6	0	112.6	N391 E395	N391-K393 PolarHBondContact O-N 2.96Å; N391-K393 VanDerWaalsContact O-N 3.08Å; N391-K393 VanDerWaalsContact OD1-CA 3.3Å; N391-K393 WeakPolarHBondContact OD1-CA 3.39Å; N391-K393 WeakPolarHBondContact OD1-CB 3.09Å; N391-K393 PolarHBondContact OD1-N 3.12Å; K393-E395 HydrophobicContact CB-CG 4.01Å; K393-E395 PolarHBondContact O-N 3.05Å
394	E	83.9	Confident	90.7	Very high	170 Å²	170	26.9 Å²	26.9	79%	0.794	13%	0.127	S	C	*	.	S	Bend	trans	65.9	21.1	-176.2	-54.8	-178.4	169.8	0	0	113.7	N391 K392	N391-E394 PolarHBondContact O-N 3.35Å; N391-E394 PolarHBondContact OD1-N 3.12Å; K392-E394 VanDerWaalsContact C-N 3.32Å
395	E	85.8	Confident	90.7	Very high	25 Å²	25	27.7 Å²	27.7	12%	0.117	13%	0.13	C	C	.	.			trans	-94.3	134.4	176.3	-53.8	164.4	173.9	0	0	109.4	K283 N391 K393 V397	K283-E395 VanDerWaalsContact CE-OE1 3.32Å; K283-E395 WeakPolarHBondContact CE-OE1 3.44Å; K283-E395 IonicContact NZ-OE1 2.74Å; K283-E395 PolarHBondContact NZ-OE1 3.38Å; K283-E395 IonicContact NZ-OE2 3.72Å; N391-E395 PolarHBondContact N-O 2.79Å; N391-E395 PolarHBondContact ND2-OE2 2.86Å; N391-E395 WeakPolarHBondContact OD1-CB 3.31Å; N391-E395 PolarHBondContact OD1-N 3.49Å; N391-E395 PolarHBondContact OD1-O 3.02Å; K393-E395 HydrophobicContact CB-CG 4.01Å; K393-E395 PolarHBondContact O-N 3.05Å; E395-V397 PolarHBondContact O-N 2.98Å
396	I	89.3	Confident	90.4	Very high	5 Å²	5	32.6 Å²	32.6	3%	0.026	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	124	178.9	-56.2	176.7	0	0	0	108.9	L279 P307 R310 A350 P388 V390 G398	L279-I396 HydrophobicContact CD1-CB 4.26Å; L279-I396 HydrophobicContact CD1-CG2 3.7Å; P307-I396 HydrophobicContact CG-CD1 4.22Å; R310-I396 PolarHBondContact NH2-O 2.7Å; A350-I396 WeakPolarHBondContact O-CD1 3.5Å; P388-I396 HydrophobicContact CB-CD1 4.5Å; P388-I396 HydrophobicContact CB-CG2 4.32Å; V390-I396 HydrophobicContact CG2-CG1 4.41Å; I396-G398 WeakPolarHBondContact CG2-O 3.33Å
397	V	89.4	Confident	89.9	Confident	3 Å²	3	35.8 Å²	35.8	2%	0.018	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	-26.1	-179.6	-172.5	0	0	0	0	111.9	I254 L279 M281 I389 N391 E395	I254-V397 HydrophobicContact CD1-CG1 3.71Å; L279-V397 PolarHBondContact N-O 3.02Å; M281-V397 HydrophobicContact CE-CB 4.39Å; M281-V397 HydrophobicContact CE-CG1 4.37Å; M281-V397 HydrophobicContact CE-CG2 3.86Å; M281-V397 HydrophobicContact CG-CG1 4.22Å; M281-V397 VanDerWaalsContact SD-CA 3.56Å; M281-V397 HydrophobicContact SD-CB 4.07Å; M281-V397 HydrophobicContact SD-CG1 3.89Å; M281-V397 HydrophobicContact SD-CG2 4.21Å; I389-V397 HydrophobicContact CG2-CB 4.46Å; I389-V397 PolarHBondContact O-N 3.48Å; N391-V397 HydrophobicContact CB-CG2 3.68Å; E395-V397 PolarHBondContact O-N 2.98Å
398	G	91.6	Very high	89.2	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178	-176.4	-177.7	0	0	0	0	0	111.2	G277 I389 I396	G277-G398 CarbonylContact O-C 3.55Å; G277-G398 WeakPolarHBondContact O-CA 3.42Å; I389-G398 PolarHBondContact N-O 3.04Å; I389-G398 PolarHBondContact O-N 3.29Å; I396-G398 WeakPolarHBondContact CG2-O 3.33Å
399	V	94.6	Very high	88.7	Confident	1 Å²	1	40.5 Å²	40.5	1%	0.006	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	133.7	177.2	-179.2	0	0	0	0	108.4	V276 G277 F314 P346 V349 A350 S386 L387	V276-V399 WeakPolarHBondContact CA-O 3.31Å; G277-V399 PolarHBondContact N-O 3.06Å; G277-V399 PolarHBondContact O-N 3.46Å; F314-V399 HydrophobicContact CE1-CB 4.28Å; F314-V399 HydrophobicContact CE1-CG2 4.19Å; F314-V399 HydrophobicContact CZ-CB 4.45Å; F314-V399 HydrophobicContact CZ-CG2 4.15Å; P346-V399 HydrophobicContact CB-CB 4.48Å; P346-V399 HydrophobicContact CB-CG1 4.13Å; V349-V399 HydrophobicContact CB-CG1 4.07Å; V349-V399 HydrophobicContact CG1-CG1 3.78Å; V349-V399 HydrophobicContact CG1-CG2 4.22Å; A350-V399 HydrophobicContact CB-CG2 3.85Å; S386-V399 WeakPolarHBondContact OG-CG1 3.31Å; L387-V399 WeakPolarHBondContact O-CA 3.5Å
400	A	95.2	Very high	88.4	Confident	2 Å²	2	41.3 Å²	41.3	2%	0.017	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	129.5	173.2	0	0	0	0	0	109.7	V276 S386 L387 I389 F402 T423	V276-A400 HydrophobicContact CG2-CB 4.04Å; S386-A400 WeakPolarHBondContact CA-O 3.4Å; L387-A400 PolarHBondContact N-O 3.42Å; L387-A400 PolarHBondContact O-N 2.91Å; I389-A400 HydrophobicContact CD1-CB 4.27Å; I389-A400 HydrophobicContact CG1-CB 4.36Å; A400-F402 HydrophobicContact CB-CE2 4.05Å; A400-F402 HydrophobicContact CB-CZ 4.22Å; A400-T423 HydrophobicContact CB-CG2 3.85Å
401	T	95	Very high	88.4	Confident	2 Å²	2	39.4 Å²	39.4	1%	0.012	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	126.6	-179.6	-47.1	0	0	0	0	109.9	Y274 S275 L345 V384 L385 S386 Y403	Y274-T401 CarbonylContact C-O 3.58Å; Y274-T401 WeakPolarHBondContact CA-O 3.23Å; Y274-T401 WeakPolarHBondContact CB-O 3.47Å; S275-T401 PolarHBondContact N-O 2.93Å; S275-T401 PolarHBondContact O-N 2.83Å; L345-T401 HydrophobicContact CD2-CG2 4.46Å; V384-T401 HydrophobicContact CG1-CG2 3.51Å; L385-T401 CarbonylContact O-C 3.56Å; L385-T401 WeakPolarHBondContact O-CA 3.36Å; S386-T401 PolarHBondContact OG-OG1 3.29Å; T401-Y403 HydrophobicContact CG2-CD2 4.47Å; T401-Y403 HydrophobicContact CG2-CE1 3.84Å; T401-Y403 HydrophobicContact CG2-CE2 3.75Å; T401-Y403 WeakPolarHBondContact CG2-OH 3.44Å
402	F	94.6	Very high	88.5	Confident	1 Å²	1	39.4 Å²	39.4	0%	0.004	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	133.5	-179.1	-54.8	-87.9	0	0	0	109.1	L269 Y274 V384 L385 L387 A400 F411 M419	L269-F402 HydrophobicContact CD1-CE1 4.06Å; L269-F402 HydrophobicContact CD2-CE1 4.09Å; Y274-F402 VanDerWaalsContact CB-CD1 3.45Å; Y274-F402 HydrophobicContact CD2-CE1 4.33Å; Y274-F402 HydrophobicContact CG-CD1 4.04Å; Y274-F402 HydrophobicContact CG-CE1 4.15Å; V384-F402 WeakPolarHBondContact CA-O 3.31Å; L385-F402 HydrophobicContact CB-CB 4.5Å; L385-F402 PolarHBondContact N-O 3.08Å; L385-F402 PolarHBondContact O-N 3.43Å; L387-F402 HydrophobicContact CD1-CD2 4.08Å; L387-F402 HydrophobicContact CD1-CE2 3.96Å; A400-F402 HydrophobicContact CB-CE2 4.05Å; A400-F402 HydrophobicContact CB-CZ 4.22Å; F402-F411 HydrophobicContact CB-CZ 4.16Å; F402-M419 HydrophobicContact CD1-CE 3.9Å; F402-M419 HydrophobicContact CD1-SD 4.11Å; F402-M419 HydrophobicContact CD2-CB 4.35Å; F402-M419 HydrophobicContact CD2-CG 3.97Å; F402-M419 HydrophobicContact CD2-SD 4.26Å; F402-M419 HydrophobicContact CE1-CE 4.08Å; F402-M419 HydrophobicContact CE1-SD 3.73Å; F402-M419 HydrophobicContact CE2-CB 3.83Å; F402-M419 HydrophobicContact CE2-CG 3.79Å; F402-M419 HydrophobicContact CE2-SD 3.89Å; F402-M419 HydrophobicContact CG-CE 4.17Å; F402-M419 HydrophobicContact CG-CG 4.48Å; F402-M419 HydrophobicContact CG-SD 4.38Å; F402-M419 HydrophobicContact CZ-CB 4.33Å; F402-M419 HydrophobicContact CZ-CE 4.47Å; F402-M419 HydrophobicContact CZ-CG 4.15Å; F402-M419 HydrophobicContact CZ-SD 3.6Å
403	Y	92.4	Very high	88.8	Confident	1 Å²	1	34 Å²	34	0%	0.004	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	135.6	-175.6	-55.6	-90.6	0	0	0	110.5	D272 R273 W339 A340 W379 I381 V384 T401	D272-Y403 PolarHBondContact N-O 2.96Å; R273-Y403 HydrophobicContact CB-CD2 4.38Å; R273-Y403 PolarHBondContact N-O 3.45Å; R273-Y403 PolarHBondContact O-N 3.49Å; W339-Y403 HydrophobicContact CH2-CD2 4.32Å; W339-Y403 HydrophobicContact CH2-CE2 4.01Å; W339-Y403 HydrophobicContact CZ3-CD2 4.12Å; W339-Y403 HydrophobicContact CZ3-CE1 4.46Å; W339-Y403 AromaticContact CZ3-CE2 3.73Å; W339-Y403 HydrophobicContact CZ3-CE2 3.73Å; W339-Y403 AromaticContact CZ3-CZ 3.92Å; A340-Y403 PolarHBondContact O-OH 3.22Å; W379-Y403 HydrophobicContact CH2-CG 4.21Å; I381-Y403 HydrophobicContact CD1-CD1 4.21Å; I381-Y403 HydrophobicContact CD1-CE1 4.19Å; I381-Y403 HydrophobicContact CG1-CD1 4.35Å; I381-Y403 HydrophobicContact CG2-CD1 4.05Å; V384-Y403 HydrophobicContact CB-CD1 4.37Å; V384-Y403 HydrophobicContact CG1-CD1 3.84Å; V384-Y403 HydrophobicContact CG1-CE1 3.74Å; V384-Y403 HydrophobicContact CG2-CD1 3.76Å; V384-Y403 HydrophobicContact CG2-CE1 4.13Å; T401-Y403 HydrophobicContact CG2-CD2 4.47Å; T401-Y403 HydrophobicContact CG2-CE1 3.84Å; T401-Y403 HydrophobicContact CG2-CE2 3.75Å; T401-Y403 WeakPolarHBondContact CG2-OH 3.44Å
404	N	91.2	Very high	89	Confident	7 Å²	7	31.4 Å²	31.4	4%	0.037	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	53.6	105.7	175.4	-65.6	-7	0	0	0	114.2	C271 D272 W379 T380 K382 N383	C271-N404 CarbonylContact C-O 3.53Å; C271-N404 VanDerWaalsContact CA-O 3.28Å; C271-N404 WeakPolarHBondContact CA-O 3.31Å; D272-N404 HydrophobicContact CB-CB 4.06Å; D272-N404 PolarHBondContact N-O 2.86Å; D272-N404 WeakPolarHBondContact OD2-CB 3.35Å; W379-N404 HydrophobicContact CZ2-CB 4.02Å; W379-N404 WeakPolarHBondContact CZ2-ND2 3.45Å; W379-N404 PolarHBondContact NE1-ND2 3.41Å; T380-N404 PolarHBondContact O-ND2 3.29Å; K382-N404 WeakPolarHBondContact CA-OD1 3.26Å; K382-N404 WeakPolarHBondContact CB-OD1 3.23Å; K382-N404 PolarHBondContact N-OD1 3.11Å; N383-N404 PolarHBondContact N-OD1 3.35Å; N383-N404 VanDerWaalsContact N-OD1 3.14Å; N383-N404 PolarHBondContact O-N 2.96Å; N383-N404 PolarHBondContact O-OD1 3.27Å; N383-N404 WeakPolarHBondContact OD1-CA 3.41Å; N383-N404 PolarHBondContact OD1-N 3.39Å
405	R	90.6	Very high	89.3	Confident	17 Å²	17	23.3 Å²	23.3	6%	0.064	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	134.5	168.9	-158.5	-178	156.8	152.2	12.4	110.8	N383 D407 G408 K409 P410 F411 D412 D415	N383-R405 PolarHBondContact OD1-N 2.91Å; R405-D407 VanDerWaalsContact C-N 3.28Å; R405-D407 WeakPolarHBondContact CD-OD1 3.4Å; R405-D407 WeakPolarHBondContact CG-OD1 2.84Å; R405-D407 IonicContact CZ-OD1 3.5Å; R405-D407 IonicContact CZ-OD2 3.18Å; R405-D407 VanDerWaalsContact NE-CG 3.27Å; R405-D407 IonicContact NE-OD1 3.52Å; R405-D407 PolarHBondContact NE-OD1 3.03Å; R405-D407 IonicContact NE-OD2 3.86Å; R405-D407 PolarHBondContact NE-OD2 3.27Å; R405-D407 IonicContact NH2-OD2 3.94Å; R405-D407 PolarHBondContact NH2-OD2 3.03Å; R405-D407 PolarHBondContact O-N 3.28Å; R405-G408 PolarHBondContact O-N 3.18Å; R405-K409 WeakPolarHBondContact CB-O 3.19Å; R405-K409 WeakPolarHBondContact CD-O 3.37Å; R405-P410 WeakPolarHBondContact CD-O 3.36Å; R405-P410 PolarHBondContact NH1-O 3.06Å; R405-P410 VanDerWaalsContact NH1-O 3.12Å; R405-F411 HydrophobicContact CB-CE1 4.18Å; R405-F411 HydrophobicContact CB-CZ 4.3Å; R405-F411 HydrophobicContact CG-CE1 4.35Å; R405-D412 IonicContact NH1-OD2 3.99Å; R405-D412 PolarHBondContact NH1-OD2 2.96Å; R405-D415 IonicContact CZ-OD2 3.83Å; R405-D415 IonicContact NE-OD2 2.81Å; R405-D415 IonicContact NH1-OD2 2.85Å; R405-D415 PolarHBondContact NH1-OD2 3.34Å; R405-D415 IonicContact NH2-OD2 3.85Å
406	K	87.5	Confident	89.5	Confident	103 Å²	103	22.8 Å²	22.8	45%	0.448	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-25.6	-173.3	-72.1	-170.7	178.1	-169.6	0	115.3	N270 C271 G408	N270-K406 PolarHBondContact O-N 2.78Å; C271-K406 WeakPolarHBondContact O-CE 3.35Å; K406-G408 PolarHBondContact O-N 2.91Å
407	D	83.4	Confident	89.6	Confident	68 Å²	68	25.5 Å²	25.5	36%	0.364	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	2.5	178.2	60.1	2.1	0	0	0	112.8	R405 K409	R405-D407 VanDerWaalsContact C-N 3.28Å; R405-D407 WeakPolarHBondContact CD-OD1 3.4Å; R405-D407 WeakPolarHBondContact CG-OD1 2.84Å; R405-D407 IonicContact CZ-OD1 3.5Å; R405-D407 IonicContact CZ-OD2 3.18Å; R405-D407 VanDerWaalsContact NE-CG 3.27Å; R405-D407 IonicContact NE-OD1 3.52Å; R405-D407 PolarHBondContact NE-OD1 3.03Å; R405-D407 IonicContact NE-OD2 3.86Å; R405-D407 PolarHBondContact NE-OD2 3.27Å; R405-D407 IonicContact NH2-OD2 3.94Å; R405-D407 PolarHBondContact NH2-OD2 3.03Å; R405-D407 PolarHBondContact O-N 3.28Å; D407-K409 PolarHBondContact O-N 3.22Å; D407-K409 PolarHBondContact OD1-N 3.1Å; D407-K409 VanDerWaalsContact OD1-N 3.17Å
408	G	81.3	Confident	89.7	Confident	32 Å²	32	25.6 Å²	25.6	33%	0.33	13%	0.133	S	C	.	.	S	Bend	trans	75.4	-2.5	-179.3	0	0	0	0	0	114.1	P127 R405 K406	P127-G408 WeakPolarHBondContact CB-O 3.47Å; R405-G408 PolarHBondContact O-N 3.18Å; K406-G408 PolarHBondContact O-N 2.91Å
409	K	84.5	Confident	89.8	Confident	81 Å²	81	25.6 Å²	25.6	35%	0.352	13%	0.133	S	C	.	.	P	Polyproline II helix	trans	-79.5	157.7	176.2	-68.4	178.2	-179.1	176.7	0	110.3	P127 N383 R405 D407	P127-K409 HydrophobicContact CB-CG 4.34Å; P127-K409 HydrophobicContact CG-CG 3.84Å; N383-K409 PolarHBondContact ND2-O 3.04Å; N383-K409 VanDerWaalsContact ND2-O 3.12Å; R405-K409 WeakPolarHBondContact CB-O 3.19Å; R405-K409 WeakPolarHBondContact CD-O 3.37Å; D407-K409 PolarHBondContact O-N 3.22Å; D407-K409 PolarHBondContact OD1-N 3.1Å; D407-K409 VanDerWaalsContact OD1-N 3.17Å
410	P	87.1	Confident	89.6	Confident	17 Å²	17	28.6 Å²	28.6	11%	0.11	15%	0.147	C	C	.	.	P	Polyproline II helix	trans	-64.4	161.5	164.9	24.7	-31.3	0	0	0	112.1	M359 R405	M359-P410 HydrophobicContact CE-CB 3.44Å; M359-P410 VanDerWaalsContact CE-CB 3.44Å; M359-P410 HydrophobicContact CE-CG 3.32Å; M359-P410 HydrophobicContact SD-CB 3.2Å; M359-P410 WeakPolarHBondContact SD-CB 3.46Å; M359-P410 HydrophobicContact SD-CG 3.81Å; R405-P410 WeakPolarHBondContact CD-O 3.36Å; R405-P410 PolarHBondContact NH1-O 3.06Å; R405-P410 VanDerWaalsContact NH1-O 3.12Å
411	F	90.1	Very high	89.5	Confident	3 Å²	3	29.2 Å²	29.2	1%	0.013	15%	0.152	C	C	.	.	P	Polyproline II helix	trans	-67.5	134.5	169.9	-65.9	-76	0	0	0	110.1	C271 N357 N383 L385 F402 R405 D415	C271-F411 HydrophobicContact CB-CZ 4.47Å; N357-F411 PolarHBondContact ND2-O 3.48Å; N383-F411 HydrophobicContact CB-CD2 4.38Å; N383-F411 HydrophobicContact CB-CE2 4.49Å; N383-F411 WeakPolarHBondContact OD1-CE2 3.37Å; L385-F411 HydrophobicContact CB-CB 4.36Å; L385-F411 HydrophobicContact CB-CD1 4.35Å; L385-F411 HydrophobicContact CB-CD2 3.68Å; L385-F411 HydrophobicContact CB-CE2 3.99Å; L385-F411 HydrophobicContact CB-CG 3.87Å; L385-F411 HydrophobicContact CB-CZ 4.45Å; L385-F411 HydrophobicContact CD2-CB 4.34Å; L385-F411 HydrophobicContact CD2-CD1 4.12Å; L385-F411 HydrophobicContact CD2-CG 4.18Å; F402-F411 HydrophobicContact CB-CZ 4.16Å; R405-F411 HydrophobicContact CB-CE1 4.18Å; R405-F411 HydrophobicContact CB-CZ 4.3Å; R405-F411 HydrophobicContact CG-CE1 4.35Å; F411-D415 HydrophobicContact CB-CB 4.36Å; F411-D415 HydrophobicContact CD1-CB 3.93Å
412	D	87.1	Confident	89.4	Confident	23 Å²	23	29.2 Å²	29.2	12%	0.123	15%	0.152	C	C	.	.			trans	-106.3	175.9	177.4	66.6	23.7	0	0	0	111.7	Y228 R405 H414 D415 E416	Y228-D412 PolarHBondContact OH-OD2 2.81Å; R405-D412 IonicContact NH1-OD2 3.99Å; R405-D412 PolarHBondContact NH1-OD2 2.96Å; D412-H414 PolarHBondContact O-N 3.12Å; D412-H414 VanDerWaalsContact O-N 3.14Å; D412-H414 WeakPolarHBondContact OD1-CA 3.35Å; D412-H414 WeakPolarHBondContact OD1-CB 3.27Å; D412-H414 PolarHBondContact OD1-N 2.67Å; D412-D415 PolarHBondContact N-OD2 3.12Å; D412-D415 PolarHBondContact O-N 3.01Å; D412-D415 PolarHBondContact OD1-N 3.12Å; D412-E416 PolarHBondContact O-N 3.11Å
413	D	87.6	Confident	89.3	Confident	41 Å²	41	29.3 Å²	29.3	22%	0.219	15%	0.153	C	C	.	.	H	α-helix	trans	-54.5	-28.8	176.2	-169.8	82.6	0	0	0	113.7	Q100 N417	Q100-D413 HydrophobicContact CB-CB 4.29Å; Q100-D413 PolarHBondContact O-N 3.42Å; D413-N417 WeakPolarHBondContact O-CB 3.31Å; D413-N417 VanDerWaalsContact O-CG 3.28Å; D413-N417 PolarHBondContact O-N 3.12Å; D413-N417 PolarHBondContact O-ND2 3.2Å; D413-N417 PolarHBondContact OD2-ND2 2.82Å
414	H	87.8	Confident	89.2	Confident	57 Å²	57	32.9 Å²	32.9	26%	0.264	17%	0.17	S	C	.	.	H	α-helix	trans	-75.7	-35.8	178	-63	78.6	0	0	0	111.5	L229 D412 L418	L229-H414 WeakPolarHBondContact CD2-NE2 3.49Å; D412-H414 PolarHBondContact O-N 3.12Å; D412-H414 VanDerWaalsContact O-N 3.14Å; D412-H414 WeakPolarHBondContact OD1-CA 3.35Å; D412-H414 WeakPolarHBondContact OD1-CB 3.27Å; D412-H414 PolarHBondContact OD1-N 2.67Å; H414-L418 VanDerWaalsContact O-CB 3.25Å; H414-L418 WeakPolarHBondContact O-CB 3.47Å; H414-L418 PolarHBondContact O-N 3.09Å
415	D	89.9	Confident	89.2	Confident	1 Å²	1	34.4 Å²	34.4	1%	0.005	18%	0.176	C	C	.	.	H	α-helix	trans	-67.8	-41.3	172.1	-62.7	-44.5	0	0	0	110.9	R235 R405 F411 D412 L418 M419	R235-D415 IonicContact CZ-OD1 2.82Å; R235-D415 IonicContact NH2-OD1 3.92Å; R235-D415 PolarHBondContact NH2-OD1 2.74Å; R405-D415 IonicContact CZ-OD2 3.83Å; R405-D415 IonicContact NE-OD2 2.81Å; R405-D415 IonicContact NH1-OD2 2.85Å; R405-D415 PolarHBondContact NH1-OD2 3.34Å; R405-D415 IonicContact NH2-OD2 3.85Å; F411-D415 HydrophobicContact CB-CB 4.36Å; F411-D415 HydrophobicContact CD1-CB 3.93Å; D412-D415 PolarHBondContact N-OD2 3.12Å; D412-D415 PolarHBondContact O-N 3.01Å; D412-D415 PolarHBondContact OD1-N 3.12Å; D415-L418 PolarHBondContact O-N 3.38Å; D415-M419 VanDerWaalsContact O-CG 3.28Å; D415-M419 WeakPolarHBondContact O-CG 3.44Å; D415-M419 PolarHBondContact O-N 2.99Å
416	E	90.4	Very high	89.1	Confident	13 Å²	13	33.7 Å²	33.7	6%	0.061	17%	0.173	C	C	.	.	H	α-helix	trans	-54.3	-55.2	172.2	-71.4	174.5	-154.1	0	0	110.7	N102 N357 L385 D412 L418 M419 E420	N102-E416 PolarHBondContact N-OE1 3.39Å; N102-E416 PolarHBondContact N-OE2 3.36Å; N102-E416 PolarHBondContact OD1-OE1 3.14Å; N357-E416 WeakPolarHBondContact CB-OE1 3.29Å; N357-E416 PolarHBondContact ND2-OE1 2.93Å; L385-E416 HydrophobicContact CD1-CG 3.93Å; D412-E416 PolarHBondContact O-N 3.11Å; E416-L418 VanDerWaalsContact C-N 3.28Å; E416-L418 PolarHBondContact O-N 3.45Å; E416-M419 PolarHBondContact O-N 3.32Å; E416-E420 VanDerWaalsContact O-CB 3.26Å; E416-E420 WeakPolarHBondContact O-CB 3.47Å; E416-E420 PolarHBondContact O-N 3.38Å
417	N	90.5	Very high	89.2	Confident	63 Å²	63	28.8 Å²	28.8	34%	0.337	15%	0.152	S	C	.	.	H	α-helix	trans	-61.8	-31	179	-77.7	-54.6	0	0	0	113.9	D413 A421	D413-N417 WeakPolarHBondContact O-CB 3.31Å; D413-N417 VanDerWaalsContact O-CG 3.28Å; D413-N417 PolarHBondContact O-N 3.12Å; D413-N417 PolarHBondContact O-ND2 3.2Å; D413-N417 PolarHBondContact OD2-ND2 2.82Å; N417-A421 WeakPolarHBondContact O-CB 3.28Å; N417-A421 PolarHBondContact O-N 3.01Å
418	L	91.7	Very high	89.4	Confident	4 Å²	4	32.1 Å²	32.1	2%	0.021	16%	0.16	C	C	.	.	H	α-helix	trans	-71.5	-50.2	177.4	177.7	71.4	0	0	0	110.9	K236 L239 H414 D415 E416 E420 A421 L422	K236-L418 HydrophobicContact CB-CD1 3.6Å; K236-L418 HydrophobicContact CG-CD1 3.9Å; L239-L418 HydrophobicContact CD1-CD1 4.11Å; L239-L418 HydrophobicContact CD1-CD2 4.36Å; L239-L418 HydrophobicContact CD1-CG 4.22Å; H414-L418 VanDerWaalsContact O-CB 3.25Å; H414-L418 WeakPolarHBondContact O-CB 3.47Å; H414-L418 PolarHBondContact O-N 3.09Å; D415-L418 PolarHBondContact O-N 3.38Å; E416-L418 VanDerWaalsContact C-N 3.28Å; E416-L418 PolarHBondContact O-N 3.45Å; L418-E420 VanDerWaalsContact C-N 3.34Å; L418-A421 PolarHBondContact O-N 3.03Å; L418-L422 PolarHBondContact O-N 3.27Å
419	M	92.4	Very high	89.7	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-70.1	-33.3	-179.1	-60.7	-50.9	-176.3	0	0	111.5	L269 L385 L387 F402 D415 E416 L422 T423	L269-M419 HydrophobicContact CB-CE 4.04Å; L269-M419 HydrophobicContact CD2-CE 3.76Å; L269-M419 HydrophobicContact CD2-SD 3.48Å; L269-M419 WeakPolarHBondContact CD2-SD 3.4Å; L269-M419 WeakPolarHBondContact O-CE 3.31Å; L385-M419 HydrophobicContact CD2-CB 4.26Å; L385-M419 HydrophobicContact CD2-CG 3.85Å; L387-M419 HydrophobicContact CD1-CB 3.71Å; L387-M419 HydrophobicContact CD2-CB 4.08Å; F402-M419 HydrophobicContact CD1-CE 3.9Å; F402-M419 HydrophobicContact CD1-SD 4.11Å; F402-M419 HydrophobicContact CD2-CB 4.35Å; F402-M419 HydrophobicContact CD2-CG 3.97Å; F402-M419 HydrophobicContact CD2-SD 4.26Å; F402-M419 HydrophobicContact CE1-CE 4.08Å; F402-M419 HydrophobicContact CE1-SD 3.73Å; F402-M419 HydrophobicContact CE2-CB 3.83Å; F402-M419 HydrophobicContact CE2-CG 3.79Å; F402-M419 HydrophobicContact CE2-SD 3.89Å; F402-M419 HydrophobicContact CG-CE 4.17Å; F402-M419 HydrophobicContact CG-CG 4.48Å; F402-M419 HydrophobicContact CG-SD 4.38Å; F402-M419 HydrophobicContact CZ-CB 4.33Å; F402-M419 HydrophobicContact CZ-CE 4.47Å; F402-M419 HydrophobicContact CZ-CG 4.15Å; F402-M419 HydrophobicContact CZ-SD 3.6Å; D415-M419 VanDerWaalsContact O-CG 3.28Å; D415-M419 WeakPolarHBondContact O-CG 3.44Å; D415-M419 PolarHBondContact O-N 2.99Å; E416-M419 PolarHBondContact O-N 3.32Å; M419-L422 WeakPolarHBondContact O-CB 3.43Å; M419-L422 PolarHBondContact O-N 3.24Å; M419-T423 WeakPolarHBondContact O-CG2 3.43Å; M419-T423 PolarHBondContact O-N 3.2Å; M419-T423 PolarHBondContact O-OG1 3.36Å
420	E	92.4	Very high	89.7	Confident	64 Å²	64	27.4 Å²	27.4	30%	0.299	13%	0.133	S	C	.	.	H	α-helix	trans	-62.1	-48.2	173.1	-171.5	-173.4	175.5	0	0	110.7	I355 L387 E416 L418 L422 T423 Q424	I355-E420 HydrophobicContact CD1-CB 4.28Å; I355-E420 HydrophobicContact CD1-CG 4.05Å; L387-E420 HydrophobicContact CD2-CB 3.83Å; E416-E420 VanDerWaalsContact O-CB 3.26Å; E416-E420 WeakPolarHBondContact O-CB 3.47Å; E416-E420 PolarHBondContact O-N 3.38Å; L418-E420 VanDerWaalsContact C-N 3.34Å; E420-L422 VanDerWaalsContact C-N 3.25Å; E420-L422 PolarHBondContact O-N 3.39Å; E420-T423 WeakPolarHBondContact CA-OG1 3.05Å; E420-T423 PolarHBondContact O-N 3.45Å; E420-T423 PolarHBondContact O-OG1 3.18Å; E420-Q424 HydrophobicContact CG-CG 4.33Å; E420-Q424 WeakPolarHBondContact O-CB 3.47Å; E420-Q424 VanDerWaalsContact O-CG 3.31Å; E420-Q424 WeakPolarHBondContact O-CG 3.3Å; E420-Q424 PolarHBondContact O-N 3.22Å; E420-Q424 PolarHBondContact OE1-NE2 2.94Å
421	A	92.4	Very high	89.3	Confident	16 Å²	16	29.4 Å²	29.4	13%	0.132	14%	0.142	C	C	.	.	H	α-helix	trans	-60.1	-37.1	177.8	0	0	0	0	0	112.3	L240 N417 L418 F425	L240-A421 HydrophobicContact CD1-CB 4.32Å; L240-A421 HydrophobicContact CD2-CB 4.16Å; N417-A421 WeakPolarHBondContact O-CB 3.28Å; N417-A421 PolarHBondContact O-N 3.01Å; L418-A421 PolarHBondContact O-N 3.03Å; A421-F425 VanDerWaalsContact O-CB 3.29Å; A421-F425 WeakPolarHBondContact O-CB 3.39Å; A421-F425 PolarHBondContact O-N 2.85Å; A421-F425 VanDerWaalsContact O-N 3.1Å
422	L	92.3	Very high	88.9	Confident	1 Å²	1	31.7 Å²	31.7	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-65.1	-50.1	174.7	177.7	54.9	0	0	0	112.2	L239 S243 L262 V265 L269 L418 M419 E420 F425 L426	L239-L422 HydrophobicContact CD1-CD2 4.49Å; L239-L422 HydrophobicContact CD2-CB 3.79Å; L239-L422 HydrophobicContact CD2-CD1 3.81Å; L239-L422 HydrophobicContact CD2-CD2 4.18Å; L239-L422 HydrophobicContact CD2-CG 4.11Å; S243-L422 WeakPolarHBondContact OG-CD1 3.48Å; L262-L422 HydrophobicContact CD2-CD2 4Å; V265-L422 HydrophobicContact CG2-CD2 4.4Å; L269-L422 HydrophobicContact CD2-CD2 3.74Å; L418-L422 PolarHBondContact O-N 3.27Å; M419-L422 WeakPolarHBondContact O-CB 3.43Å; M419-L422 PolarHBondContact O-N 3.24Å; E420-L422 VanDerWaalsContact C-N 3.25Å; E420-L422 PolarHBondContact O-N 3.39Å; L422-F425 WeakPolarHBondContact O-CB 3.46Å; L422-F425 PolarHBondContact O-N 2.91Å; L422-L426 HydrophobicContact CD1-CD1 4.04Å; L422-L426 HydrophobicContact CD1-CG 4.09Å; L422-L426 HydrophobicContact CG-CD1 4.13Å; L422-L426 WeakPolarHBondContact O-CG 3.15Å; L422-L426 PolarHBondContact O-N 3.28Å
423	T	92.4	Very high	88.6	Confident	4 Å²	4	31.2 Å²	31.2	3%	0.025	15%	0.152	C	C	.	.	H	α-helix	trans	-67.6	-38.1	-176.7	48.8	0	0	0	0	111.9	L387 I389 A400 M419 E420 L426 G427	L387-T423 HydrophobicContact CB-CG2 4.23Å; I389-T423 HydrophobicContact CG1-CG2 4.03Å; A400-T423 HydrophobicContact CB-CG2 3.85Å; M419-T423 WeakPolarHBondContact O-CG2 3.43Å; M419-T423 PolarHBondContact O-N 3.2Å; M419-T423 PolarHBondContact O-OG1 3.36Å; E420-T423 WeakPolarHBondContact CA-OG1 3.05Å; E420-T423 PolarHBondContact O-N 3.45Å; E420-T423 PolarHBondContact O-OG1 3.18Å; T423-L426 PolarHBondContact O-N 3.19Å; T423-G427 PolarHBondContact O-N 3.36Å
424	Q	90.3	Very high	88.1	Confident	75 Å²	75	31.9 Å²	31.9	35%	0.35	16%	0.156	S	C	.	.	H	α-helix	trans	-59.8	-45.7	169.8	-72.4	178.2	1.5	0	0	111.5	E420 G427 W428	E420-Q424 HydrophobicContact CG-CG 4.33Å; E420-Q424 WeakPolarHBondContact O-CB 3.47Å; E420-Q424 VanDerWaalsContact O-CG 3.31Å; E420-Q424 WeakPolarHBondContact O-CG 3.3Å; E420-Q424 PolarHBondContact O-N 3.22Å; E420-Q424 PolarHBondContact OE1-NE2 2.94Å; Q424-G427 PolarHBondContact O-N 3.41Å; Q424-W428 PolarHBondContact O-N 3.47Å
425	F	90.7	Very high	87.8	Confident	40 Å²	40	32.9 Å²	32.9	18%	0.175	17%	0.166	C	C	.	.	H	α-helix	trans	-62.1	-45.7	178.9	-178.3	-100	0	0	0	112.1	L240 A244 V247 A421 L422 W428 S429	L240-F425 HydrophobicContact CD2-CB 4.17Å; A244-F425 VanDerWaalsContact CA-CE1 3.45Å; A244-F425 HydrophobicContact CB-CE1 3.95Å; A244-F425 HydrophobicContact CB-CE2 3.98Å; A244-F425 HydrophobicContact CB-CZ 3.39Å; V247-F425 HydrophobicContact CB-CE1 3.85Å; V247-F425 HydrophobicContact CB-CZ 4.13Å; V247-F425 HydrophobicContact CG1-CE1 4.03Å; V247-F425 HydrophobicContact CG1-CZ 3.9Å; V247-F425 HydrophobicContact CG2-CD1 4.48Å; V247-F425 HydrophobicContact CG2-CE1 3.68Å; V247-F425 HydrophobicContact CG2-CZ 4.4Å; A421-F425 VanDerWaalsContact O-CB 3.29Å; A421-F425 WeakPolarHBondContact O-CB 3.39Å; A421-F425 PolarHBondContact O-N 2.85Å; A421-F425 VanDerWaalsContact O-N 3.1Å; L422-F425 WeakPolarHBondContact O-CB 3.46Å; L422-F425 PolarHBondContact O-N 2.91Å; F425-W428 PolarHBondContact O-N 3.3Å; F425-S429 PolarHBondContact O-N 3.03Å
426	L	90.1	Very high	87.4	Confident	1 Å²	1	37.3 Å²	37.3	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-61.7	-43.9	175	-69.5	175.2	0	0	0	111.5	V247 F258 A261 L262 I389 L422 T423 W428 S429 A430	V247-L426 HydrophobicContact CG2-CD2 4.36Å; F258-L426 HydrophobicContact CD1-CB 4.41Å; F258-L426 HydrophobicContact CD1-CD2 4.03Å; F258-L426 HydrophobicContact CE1-CB 3.94Å; F258-L426 HydrophobicContact CE1-CD2 4.33Å; F258-L426 VanDerWaalsContact CE1-O 3.31Å; F258-L426 WeakPolarHBondContact CE1-O 3.26Å; F258-L426 HydrophobicContact CE2-CB 4.28Å; F258-L426 HydrophobicContact CG-CD2 4.38Å; F258-L426 HydrophobicContact CZ-CB 3.87Å; F258-L426 WeakPolarHBondContact CZ-O 3.42Å; A261-L426 HydrophobicContact CB-CD2 3.83Å; L262-L426 HydrophobicContact CD1-CD1 4.4Å; L262-L426 HydrophobicContact CD2-CD1 3.97Å; L262-L426 HydrophobicContact CG-CD1 4.13Å; I389-L426 HydrophobicContact CG2-CB 4.38Å; L422-L426 HydrophobicContact CD1-CD1 4.04Å; L422-L426 HydrophobicContact CD1-CG 4.09Å; L422-L426 HydrophobicContact CG-CD1 4.13Å; L422-L426 WeakPolarHBondContact O-CG 3.15Å; L422-L426 PolarHBondContact O-N 3.28Å; T423-L426 PolarHBondContact O-N 3.19Å; L426-W428 VanDerWaalsContact C-N 3.35Å; L426-W428 PolarHBondContact O-N 3.15Å; L426-S429 WeakPolarHBondContact CA-OG 3.48Å; L426-S429 WeakPolarHBondContact O-CB 3.45Å; L426-S429 PolarHBondContact O-N 2.95Å; L426-S429 VanDerWaalsContact O-N 3.12Å; L426-S429 PolarHBondContact O-OG 3.05Å; L426-A430 PolarHBondContact O-N 2.93Å
427	G	89.1	Confident	86.9	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-62	-38.7	177.3	0	0	0	0	0	113.4	V390 N391 T423 Q424 A430	V390-G427 CarbonylContact O-C 3.56Å; V390-G427 VanDerWaalsContact O-CA 3.29Å; V390-G427 WeakPolarHBondContact O-CA 3.19Å; N391-G427 WeakPolarHBondContact CA-O 3.45Å; T423-G427 PolarHBondContact O-N 3.36Å; Q424-G427 PolarHBondContact O-N 3.41Å; G427-A430 WeakPolarHBondContact O-CB 2.91Å; G427-A430 PolarHBondContact O-N 2.95Å
428	W	87.5	Confident	86.5	Confident	138 Å²	138	41.7 Å²	41.7	52%	0.523	20%	0.202	S	C	.	.	H	α-helix	trans	-68.7	-34.4	173	-65	-12.8	0	0	0	112.9	Q424 F425 L426 A430 L431	Q424-W428 PolarHBondContact O-N 3.47Å; F425-W428 PolarHBondContact O-N 3.3Å; L426-W428 VanDerWaalsContact C-N 3.35Å; L426-W428 PolarHBondContact O-N 3.15Å; W428-A430 PolarHBondContact O-N 3.07Å; W428-L431 WeakPolarHBondContact O-CB 3.47Å; W428-L431 PolarHBondContact O-N 2.87Å
429	S	88.3	Confident	86.3	Confident	4 Å²	4	46.8 Å²	46.8	3%	0.028	23%	0.228	C	C	.	.	H	α-helix	trans	-63.5	-30	178.5	75	0	0	0	0	113.5	V247 Q257 F425 L426 L431 N432	V247-S429 VanDerWaalsContact CG1-CB 3.41Å; Q257-S429 PolarHBondContact OE1-OG 2.91Å; F425-S429 PolarHBondContact O-N 3.03Å; L426-S429 WeakPolarHBondContact CA-OG 3.48Å; L426-S429 WeakPolarHBondContact O-CB 3.45Å; L426-S429 PolarHBondContact O-N 2.95Å; L426-S429 VanDerWaalsContact O-N 3.12Å; L426-S429 PolarHBondContact O-OG 3.05Å; S429-L431 PolarHBondContact O-N 3.46Å; S429-L431 VanDerWaalsContact O-N 3.13Å; S429-N432 WeakPolarHBondContact O-CB 3.46Å; S429-N432 PolarHBondContact O-N 2.78Å
430	A	83.6	Confident	86	Confident	11 Å²	11	49.9 Å²	49.9	9%	0.091	24%	0.244	C	C	.	.	H	α-helix	trans	-60.3	-20.3	175.1	0	0	0	0	0	114.1	I254 L426 G427 W428 N432 T433 D434	I254-A430 HydrophobicContact CD1-CB 3.43Å; I254-A430 VanDerWaalsContact CD1-CB 3.43Å; I254-A430 HydrophobicContact CG1-CB 4.13Å; L426-A430 PolarHBondContact O-N 2.93Å; G427-A430 WeakPolarHBondContact O-CB 2.91Å; G427-A430 PolarHBondContact O-N 2.95Å; W428-A430 PolarHBondContact O-N 3.07Å; A430-N432 VanDerWaalsContact C-N 3.33Å; A430-T433 PolarHBondContact O-OG1 2.77Å; A430-D434 PolarHBondContact O-N 2.96Å
431	L	79.8	Confident	85.6	Confident	58 Å²	58	52.3 Å²	52.3	30%	0.304	25%	0.254	S	S	.	.	H	α-helix	trans	-70.6	-32.2	175.7	-176.6	64.1	0	0	0	112.1	K392 W428 S429 T435	K392-L431 HydrophobicContact CB-CD2 4.5Å; K392-L431 HydrophobicContact CD-CD2 4.19Å; W428-L431 WeakPolarHBondContact O-CB 3.47Å; W428-L431 PolarHBondContact O-N 2.87Å; S429-L431 PolarHBondContact O-N 3.46Å; S429-L431 VanDerWaalsContact O-N 3.13Å; L431-T435 PolarHBondContact O-N 3.39Å; L431-T435 VanDerWaalsContact O-N 3.12Å; L431-T435 PolarHBondContact O-OG1 3.05Å
432	N	81.2	Confident	85.3	Confident	51 Å²	51	56.8 Å²	56.8	27%	0.273	28%	0.275	S	S	.	.	H	α-helix	trans	-66.3	-45.5	-179.6	-68.4	-19	0	0	0	110	S429 A430 D434 T435 Y436	S429-N432 WeakPolarHBondContact O-CB 3.46Å; S429-N432 PolarHBondContact O-N 2.78Å; A430-N432 VanDerWaalsContact C-N 3.33Å; N432-D434 PolarHBondContact O-N 3.27Å; N432-T435 WeakPolarHBondContact O-CB 3.39Å; N432-T435 PolarHBondContact O-N 3.09Å; N432-T435 VanDerWaalsContact O-N 3.12Å; N432-Y436 VanDerWaalsContact O-CD2 3.23Å; N432-Y436 WeakPolarHBondContact O-CD2 3.41Å; N432-Y436 PolarHBondContact O-N 2.91Å
433	T	79.8	Confident	85.1	Confident	13 Å²	13	61.6 Å²	61.6	8%	0.08	30%	0.297	C	S	.	.	H	α-helix	trans	-61.8	-45.1	-179.6	54.5	0	0	0	0	111.8	L251 I254 A430 T435 Y436 D437	L251-T433 VanDerWaalsContact O-CA 3.31Å; L251-T433 WeakPolarHBondContact O-CA 3.38Å; L251-T433 WeakPolarHBondContact O-CG2 3.45Å; I254-T433 HydrophobicContact CB-CG2 4.42Å; A430-T433 PolarHBondContact O-OG1 2.77Å; T433-T435 VanDerWaalsContact C-N 3.29Å; T433-T435 PolarHBondContact O-N 3.36Å; T433-Y436 PolarHBondContact O-N 3.41Å; T433-D437 PolarHBondContact O-N 3.46Å
434	D	77.3	Confident	85	Confident	56 Å²	56	66 Å²	66	30%	0.299	32%	0.321	S	S	.	.	H	α-helix	trans	-58.9	-38.9	173.4	176	45.8	0	0	0	112.4	A430 N432 K438	A430-D434 PolarHBondContact O-N 2.96Å; N432-D434 PolarHBondContact O-N 3.27Å; D434-K438 WeakPolarHBondContact O-CG 3.45Å; D434-K438 PolarHBondContact O-N 3.31Å; D434-K438 VanDerWaalsContact O-N 3.1Å; D434-K438 WeakPolarHBondContact OD1-CE 3.5Å; D434-K438 IonicContact OD1-NZ 3.16Å; D434-K438 PolarHBondContact OD1-NZ 3.38Å; D434-K438 IonicContact OD2-NZ 2.72Å; D434-K438 PolarHBondContact OD2-NZ 3.25Å
435	T	81.2	Confident	85.1	Confident	78 Å²	78	70.9 Å²	70.9	48%	0.479	34%	0.336	S	S	.	.	H	α-helix	trans	-68.4	-42.9	179.2	-55	0	0	0	0	111.7	L431 N432 T433 K438 M439	L431-T435 PolarHBondContact O-N 3.39Å; L431-T435 VanDerWaalsContact O-N 3.12Å; L431-T435 PolarHBondContact O-OG1 3.05Å; N432-T435 WeakPolarHBondContact O-CB 3.39Å; N432-T435 PolarHBondContact O-N 3.09Å; N432-T435 VanDerWaalsContact O-N 3.12Å; T433-T435 VanDerWaalsContact C-N 3.29Å; T433-T435 PolarHBondContact O-N 3.36Å; T435-K438 PolarHBondContact O-N 2.9Å; T435-M439 PolarHBondContact O-N 3.05Å
436	Y	82.6	Confident	85	Confident	94 Å²	94	74.2 Å²	74.2	37%	0.369	35%	0.35	S	S	.	.	H	α-helix	trans	-67.4	-39.6	177	-83.5	-75.2	0	0	0	112.3	L251 N432 T433 K438 M439 N440	L251-Y436 HydrophobicContact CB-CD2 3.84Å; L251-Y436 HydrophobicContact CB-CE2 3.67Å; L251-Y436 HydrophobicContact CD1-CE2 3.83Å; L251-Y436 HydrophobicContact CD2-CE2 4.46Å; L251-Y436 HydrophobicContact CG-CE2 4.21Å; L251-Y436 WeakPolarHBondContact O-CD2 3.18Å; N432-Y436 VanDerWaalsContact O-CD2 3.23Å; N432-Y436 WeakPolarHBondContact O-CD2 3.41Å; N432-Y436 PolarHBondContact O-N 2.91Å; T433-Y436 PolarHBondContact O-N 3.41Å; Y436-K438 VanDerWaalsContact C-N 3.34Å; Y436-K438 PolarHBondContact O-N 3.45Å; Y436-M439 WeakPolarHBondContact O-CB 3.32Å; Y436-M439 PolarHBondContact O-N 3.33Å; Y436-N440 VanDerWaalsContact O-CG 3.3Å; Y436-N440 PolarHBondContact O-N 3.15Å
437	D	79.9	Confident	84.9	Confident	67 Å²	67	77.4 Å²	77.4	36%	0.358	37%	0.368	S	S	.	.	H	α-helix	trans	-60.4	-44.2	174.3	-179.4	53.1	0	0	0	111.6	T433 M439 N440 K441	T433-D437 PolarHBondContact O-N 3.46Å; D437-M439 VanDerWaalsContact C-N 3.33Å; D437-M439 PolarHBondContact O-N 3.12Å; D437-N440 PolarHBondContact O-N 3.18Å; D437-K441 WeakPolarHBondContact O-CG 3.36Å; D437-K441 PolarHBondContact O-N 2.95Å; D437-K441 IonicContact OD1-NZ 2.66Å; D437-K441 VanDerWaalsContact OD2-CE 3.32Å; D437-K441 WeakPolarHBondContact OD2-CE 3.37Å; D437-K441 IonicContact OD2-NZ 3.07Å; D437-K441 PolarHBondContact OD2-NZ 3.19Å
438	K	82.3	Confident	85.1	Confident	100 Å²	100	82.6 Å²	82.6	44%	0.435	39%	0.394	S	S	.	.	H	α-helix	trans	-61.8	-40	174.4	-75.7	168.9	179.6	156.5	0	112.7	D434 T435 Y436 K441 L442	D434-K438 WeakPolarHBondContact O-CG 3.45Å; D434-K438 PolarHBondContact O-N 3.31Å; D434-K438 VanDerWaalsContact O-N 3.1Å; D434-K438 WeakPolarHBondContact OD1-CE 3.5Å; D434-K438 IonicContact OD1-NZ 3.16Å; D434-K438 PolarHBondContact OD1-NZ 3.38Å; D434-K438 IonicContact OD2-NZ 2.72Å; D434-K438 PolarHBondContact OD2-NZ 3.25Å; T435-K438 PolarHBondContact O-N 2.9Å; Y436-K438 VanDerWaalsContact C-N 3.34Å; Y436-K438 PolarHBondContact O-N 3.45Å; K438-K441 PolarHBondContact O-N 3.13Å; K438-L442 WeakPolarHBondContact O-CG 3.34Å; K438-L442 PolarHBondContact O-N 3.07Å; K438-L442 VanDerWaalsContact O-N 3.08Å
439	M	86.1	Confident	85.3	Confident	112 Å²	112	78.3 Å²	78.3	55%	0.552	39%	0.388	S	S	*	.	H	α-helix	trans	-61.7	-47.8	175.2	-179.7	179.3	168.8	0	0	111.2	T435 Y436 D437 K441 L442 E443	T435-M439 PolarHBondContact O-N 3.05Å; Y436-M439 WeakPolarHBondContact O-CB 3.32Å; Y436-M439 PolarHBondContact O-N 3.33Å; D437-M439 VanDerWaalsContact C-N 3.33Å; D437-M439 PolarHBondContact O-N 3.12Å; M439-K441 VanDerWaalsContact C-N 3.31Å; M439-K441 PolarHBondContact O-N 2.88Å; M439-L442 WeakPolarHBondContact O-CB 3.4Å; M439-L442 PolarHBondContact O-N 3.29Å; M439-E443 PolarHBondContact O-N 2.92Å
440	N	86.1	Confident	85.4	Confident	65 Å²	65	81 Å²	81	35%	0.348	40%	0.4	S	S	.	.	H	α-helix	trans	-59.8	-41.5	177.3	-69.1	-15.6	0	0	0	111.6	Y436 D437 L442 E443 N444	Y436-N440 VanDerWaalsContact O-CG 3.3Å; Y436-N440 PolarHBondContact O-N 3.15Å; D437-N440 PolarHBondContact O-N 3.18Å; N440-L442 VanDerWaalsContact C-N 3.29Å; N440-L442 PolarHBondContact O-N 3.35Å; N440-E443 PolarHBondContact O-N 3.39Å; N440-N444 PolarHBondContact O-N 2.87Å; N440-N444 PolarHBondContact O-ND2 3.41Å
441	K	85	Confident	85.7	Confident	114 Å²	114	85.4 Å²	85.4	50%	0.496	42%	0.422	S	S	.	.	H	α-helix	trans	-61	-36.5	174.3	-75.8	171.1	175.6	159.2	0	112.6	D437 K438 M439 R445	D437-K441 WeakPolarHBondContact O-CG 3.36Å; D437-K441 PolarHBondContact O-N 2.95Å; D437-K441 IonicContact OD1-NZ 2.66Å; D437-K441 VanDerWaalsContact OD2-CE 3.32Å; D437-K441 WeakPolarHBondContact OD2-CE 3.37Å; D437-K441 IonicContact OD2-NZ 3.07Å; D437-K441 PolarHBondContact OD2-NZ 3.19Å; K438-K441 PolarHBondContact O-N 3.13Å; M439-K441 VanDerWaalsContact C-N 3.31Å; M439-K441 PolarHBondContact O-N 2.88Å; K441-R445 VanDerWaalsContact O-CG 3.31Å; K441-R445 WeakPolarHBondContact O-CG 3.37Å; K441-R445 PolarHBondContact O-N 3.43Å; K441-R445 VanDerWaalsContact O-N 3.13Å
442	L	85.8	Confident	86.3	Confident	110 Å²	110	88.2 Å²	88.2	58%	0.576	44%	0.435	S	S	*	.	H	α-helix	trans	-71.6	-38.1	176.1	-71.8	170.9	0	0	0	112.2	K438 M439 N440 R445 K446	K438-L442 WeakPolarHBondContact O-CG 3.34Å; K438-L442 PolarHBondContact O-N 3.07Å; K438-L442 VanDerWaalsContact O-N 3.08Å; M439-L442 WeakPolarHBondContact O-CB 3.4Å; M439-L442 PolarHBondContact O-N 3.29Å; N440-L442 VanDerWaalsContact C-N 3.29Å; N440-L442 PolarHBondContact O-N 3.35Å; L442-R445 PolarHBondContact O-N 2.84Å; L442-K446 PolarHBondContact O-N 3.5Å
443	E	87.8	Confident	86.8	Confident	103 Å²	103	88.8 Å²	88.8	48%	0.481	44%	0.441	S	S	.	.	H	α-helix	trans	-62.3	-48.7	174.2	-171.3	164.3	-158.8	0	0	111	M439 N440 R445 K446 D447	M439-E443 PolarHBondContact O-N 2.92Å; N440-E443 PolarHBondContact O-N 3.39Å; E443-R445 VanDerWaalsContact C-N 3.28Å; E443-R445 PolarHBondContact O-N 3.32Å; E443-K446 WeakPolarHBondContact O-CA 3.35Å; E443-K446 VanDerWaalsContact O-CB 3.31Å; E443-K446 WeakPolarHBondContact O-CB 3.15Å; E443-K446 PolarHBondContact O-N 3.19Å; E443-D447 PolarHBondContact O-N 2.75Å
444	N	90.4	Very high	87.3	Confident	96 Å²	96	89 Å²	89	51%	0.513	44%	0.441	S	S	.	.	H	α-helix	trans	-57.7	-39	174.4	-70.9	-35.4	0	0	0	112.7	N440 K446 D447 I448	N440-N444 PolarHBondContact O-N 2.87Å; N440-N444 PolarHBondContact O-ND2 3.41Å; N444-K446 VanDerWaalsContact C-N 3.33Å; N444-D447 PolarHBondContact O-N 3.38Å; N444-I448 WeakPolarHBondContact O-CD1 3.41Å; N444-I448 VanDerWaalsContact O-CG1 3.28Å; N444-I448 WeakPolarHBondContact O-CG1 3.33Å; N444-I448 PolarHBondContact O-N 3.22Å; N444-I448 VanDerWaalsContact O-N 3.09Å
445	R	91.9	Very high	87.9	Confident	178 Å²	178	93.1 Å²	93.1	67%	0.672	45%	0.454	S	S	*	.	H	α-helix	trans	-64.7	-37.5	175.4	-77.2	176.2	-175.9	-163.1	1.6	112.4	K441 L442 E443 A449	K441-R445 VanDerWaalsContact O-CG 3.31Å; K441-R445 WeakPolarHBondContact O-CG 3.37Å; K441-R445 PolarHBondContact O-N 3.43Å; K441-R445 VanDerWaalsContact O-N 3.13Å; L442-R445 PolarHBondContact O-N 2.84Å; E443-R445 VanDerWaalsContact C-N 3.28Å; E443-R445 PolarHBondContact O-N 3.32Å; R445-A449 WeakPolarHBondContact O-CB 3.19Å; R445-A449 PolarHBondContact O-N 2.87Å; R445-A449 VanDerWaalsContact O-N 3.11Å
446	K	88.5	Confident	88.4	Confident	109 Å²	109	95 Å²	95	47%	0.474	46%	0.457	S	S	.	.	H	α-helix	trans	-63	-47.9	175.2	174.4	-164.3	155.3	-171.3	0	109.8	L442 E443 N444 I448 A449 Q450	L442-K446 PolarHBondContact O-N 3.5Å; E443-K446 WeakPolarHBondContact O-CA 3.35Å; E443-K446 VanDerWaalsContact O-CB 3.31Å; E443-K446 WeakPolarHBondContact O-CB 3.15Å; E443-K446 PolarHBondContact O-N 3.19Å; N444-K446 VanDerWaalsContact C-N 3.33Å; K446-I448 PolarHBondContact O-N 2.87Å; K446-A449 WeakPolarHBondContact O-CB 3.14Å; K446-A449 PolarHBondContact O-N 3.32Å; K446-A449 VanDerWaalsContact O-N 3.12Å; K446-Q450 HydrophobicContact CG-CG 4.44Å; K446-Q450 WeakPolarHBondContact O-CG 3.38Å; K446-Q450 PolarHBondContact O-N 3.49Å
447	D	88.4	Confident	89	Confident	69 Å²	69	91.5 Å²	91.5	37%	0.369	45%	0.445	S	S	.	.	H	α-helix	trans	-60.7	-45.9	-177.9	-66.3	-9.5	0	0	0	111.3	E443 N444 A449 Q450 D451	E443-D447 PolarHBondContact O-N 2.75Å; N444-D447 PolarHBondContact O-N 3.38Å; D447-A449 VanDerWaalsContact C-N 3.31Å; D447-A449 PolarHBondContact O-N 3.44Å; D447-Q450 PolarHBondContact O-N 3.32Å; D447-Q450 VanDerWaalsContact O-N 3.13Å; D447-D451 PolarHBondContact O-N 2.75Å
448	I	93.5	Very high	89.7	Confident	108 Å²	108	90.7 Å²	90.7	55%	0.554	44%	0.438	S	S	*	.	H	α-helix	trans	-58.1	-43.5	174.7	-65.7	165.2	0	0	0	111.4	N444 K446 Q450 D451 M452	N444-I448 WeakPolarHBondContact O-CD1 3.41Å; N444-I448 VanDerWaalsContact O-CG1 3.28Å; N444-I448 WeakPolarHBondContact O-CG1 3.33Å; N444-I448 PolarHBondContact O-N 3.22Å; N444-I448 VanDerWaalsContact O-N 3.09Å; K446-I448 PolarHBondContact O-N 2.87Å; I448-Q450 VanDerWaalsContact C-N 3.34Å; I448-D451 PolarHBondContact O-N 2.83Å; I448-M452 WeakPolarHBondContact O-CG 3.49Å; I448-M452 PolarHBondContact O-N 3.49Å; I448-M452 VanDerWaalsContact O-N 3.14Å
449	A	91.1	Very high	90.3	Very high	49 Å²	49	86 Å²	86	41%	0.405	42%	0.418	S	S	.	.	H	α-helix	trans	-66.9	-36.3	178.9	0	0	0	0	0	112.2	R445 K446 D447 M452 V453	R445-A449 WeakPolarHBondContact O-CB 3.19Å; R445-A449 PolarHBondContact O-N 2.87Å; R445-A449 VanDerWaalsContact O-N 3.11Å; K446-A449 WeakPolarHBondContact O-CB 3.14Å; K446-A449 PolarHBondContact O-N 3.32Å; K446-A449 VanDerWaalsContact O-N 3.12Å; D447-A449 VanDerWaalsContact C-N 3.31Å; D447-A449 PolarHBondContact O-N 3.44Å; A449-M452 PolarHBondContact O-N 3.27Å; A449-V453 WeakPolarHBondContact O-CG2 3.31Å; A449-V453 PolarHBondContact O-N 3.16Å; A449-V453 VanDerWaalsContact O-N 3.15Å
450	Q	90.3	Very high	90.6	Very high	59 Å²	59	85.4 Å²	85.4	28%	0.276	41%	0.409	S	S	.	.	H	α-helix	trans	-64.9	-43	174.9	-74.4	-173.7	-42.7	0	0	111.3	K446 D447 I448 M452 V453 L454 F637	K446-Q450 HydrophobicContact CG-CG 4.44Å; K446-Q450 WeakPolarHBondContact O-CG 3.38Å; K446-Q450 PolarHBondContact O-N 3.49Å; D447-Q450 PolarHBondContact O-N 3.32Å; D447-Q450 VanDerWaalsContact O-N 3.13Å; I448-Q450 VanDerWaalsContact C-N 3.34Å; Q450-M452 VanDerWaalsContact C-N 3.29Å; Q450-M452 PolarHBondContact O-N 3.15Å; Q450-V453 WeakPolarHBondContact O-CB 3.3Å; Q450-V453 PolarHBondContact O-N 3.33Å; Q450-L454 PolarHBondContact O-N 2.95Å; Q450-F637 HydrophobicContact CB-CE2 3.9Å; Q450-F637 HydrophobicContact CB-CZ 3.86Å; Q450-F637 WeakPolarHBondContact O-CZ 3.45Å
451	D	90.4	Very high	90.9	Very high	104 Å²	104	85.6 Å²	85.6	56%	0.556	41%	0.41	S	S	*	.	H	α-helix	trans	-59.3	-39.9	175.1	-77.8	-10.1	0	0	0	112.3	D447 I448 V453 L454 Y455	D447-D451 PolarHBondContact O-N 2.75Å; I448-D451 PolarHBondContact O-N 2.83Å; D451-V453 VanDerWaalsContact C-N 3.33Å; D451-V453 PolarHBondContact O-N 3Å; D451-L454 PolarHBondContact O-N 3.47Å; D451-Y455 WeakPolarHBondContact O-CB 3.44Å; D451-Y455 PolarHBondContact O-N 3.03Å
452	M	92.4	Very high	91.3	Very high	117 Å²	117	84.4 Å²	84.4	58%	0.576	41%	0.409	S	S	*	.	H	α-helix	trans	-61.4	-41.7	173.8	-68.4	-177.8	74.8	0	0	111.9	I448 A449 Q450 Y455 H456	I448-M452 WeakPolarHBondContact O-CG 3.49Å; I448-M452 PolarHBondContact O-N 3.49Å; I448-M452 VanDerWaalsContact O-N 3.14Å; A449-M452 PolarHBondContact O-N 3.27Å; Q450-M452 VanDerWaalsContact C-N 3.29Å; Q450-M452 PolarHBondContact O-N 3.15Å; M452-Y455 PolarHBondContact O-N 3.24Å; M452-H456 PolarHBondContact O-CD2 3.21Å; M452-H456 PolarHBondContact O-N 2.98Å
453	V	91.6	Very high	91.7	Very high	64 Å²	64	81.1 Å²	81.1	39%	0.388	39%	0.391	S	S	.	.	H	α-helix	trans	-63.3	-46.8	176.3	172.4	0	0	0	0	110.6	A449 Q450 D451 Y455 H456 V457 F634	A449-V453 WeakPolarHBondContact O-CG2 3.31Å; A449-V453 PolarHBondContact O-N 3.16Å; A449-V453 VanDerWaalsContact O-N 3.15Å; Q450-V453 WeakPolarHBondContact O-CB 3.3Å; Q450-V453 PolarHBondContact O-N 3.33Å; D451-V453 VanDerWaalsContact C-N 3.33Å; D451-V453 PolarHBondContact O-N 3Å; V453-Y455 VanDerWaalsContact C-N 3.32Å; V453-Y455 PolarHBondContact O-N 3.07Å; V453-H456 PolarHBondContact O-N 3.09Å; V453-V457 HydrophobicContact CG1-CG2 4.31Å; V453-V457 WeakPolarHBondContact O-CG2 3.43Å; V453-V457 PolarHBondContact O-N 3.47Å; V453-V457 VanDerWaalsContact O-N 3.07Å; V453-F634 HydrophobicContact CG1-CE2 3.93Å; V453-F634 HydrophobicContact CG1-CZ 4.2Å
454	L	90.6	Very high	91.9	Very high	18 Å²	18	76.2 Å²	76.2	9%	0.094	37%	0.368	C	S	.	.	H	α-helix	trans	-58.5	-44.6	177.8	-176.2	60.6	0	0	0	111.3	Q450 D451 H456 V457 K458 F637 L638 D641 L644	Q450-L454 PolarHBondContact O-N 2.95Å; D451-L454 PolarHBondContact O-N 3.47Å; L454-H456 VanDerWaalsContact C-N 3.27Å; L454-H456 PolarHBondContact O-N 3.41Å; L454-V457 PolarHBondContact O-N 3Å; L454-K458 WeakPolarHBondContact O-CB 3.34Å; L454-K458 PolarHBondContact O-N 2.67Å; L454-F637 HydrophobicContact CB-CE1 3.86Å; L454-F637 HydrophobicContact CB-CZ 3.69Å; L454-F637 HydrophobicContact CD1-CE1 4.26Å; L454-F637 HydrophobicContact CD2-CZ 4.33Å; L454-F637 HydrophobicContact CG-CZ 4.41Å; L454-L638 HydrophobicContact CD1-CD2 3.81Å; L454-D641 HydrophobicContact CD2-CB 4.1Å; L454-L644 HydrophobicContact CD1-CD1 3.95Å
455	Y	90.4	Very high	92.1	Very high	142 Å²	142	72.8 Å²	72.8	56%	0.557	35%	0.349	S	S	*	.	H	α-helix	trans	-56.8	-38.1	177.8	176.7	-97.6	0	0	0	113.3	D451 M452 V453	D451-Y455 WeakPolarHBondContact O-CB 3.44Å; D451-Y455 PolarHBondContact O-N 3.03Å; M452-Y455 PolarHBondContact O-N 3.24Å; V453-Y455 VanDerWaalsContact C-N 3.32Å; V453-Y455 PolarHBondContact O-N 3.07Å
456	H	91.1	Very high	92.1	Very high	117 Å²	117	68.6 Å²	68.6	54%	0.542	34%	0.34	S	S	.	.	H	α-helix	trans	-77.9	-34.3	179.6	-75.3	-62.5	0	0	0	113.5	M452 V453 L454 K551	M452-H456 PolarHBondContact O-CD2 3.21Å; M452-H456 PolarHBondContact O-N 2.98Å; V453-H456 PolarHBondContact O-N 3.09Å; L454-H456 VanDerWaalsContact C-N 3.27Å; L454-H456 PolarHBondContact O-N 3.41Å; H456-K551 WeakPolarHBondContact O-CE 3.33Å; H456-K551 PolarHBondContact O-NZ 2.89Å
457	V	94.3	Very high	92.2	Very high	20 Å²	20	63.5 Å²	63.5	12%	0.121	32%	0.318	C	S	.	.	H	α-helix	trans	-83.6	-37.7	-176.8	173.7	0	0	0	0	111.6	V453 L454 C459 K551 F634 L638	V453-V457 HydrophobicContact CG1-CG2 4.31Å; V453-V457 WeakPolarHBondContact O-CG2 3.43Å; V453-V457 PolarHBondContact O-N 3.47Å; V453-V457 VanDerWaalsContact O-N 3.07Å; L454-V457 PolarHBondContact O-N 3Å; V457-C459 PolarHBondContact O-N 2.88Å; V457-K551 WeakPolarHBondContact O-CB 3.31Å; V457-F634 HydrophobicContact CG1-CE1 4.42Å; V457-F634 HydrophobicContact CG1-CZ 4.48Å; V457-F634 HydrophobicContact CG2-CZ 4.17Å; V457-L638 HydrophobicContact CG1-CD2 3.98Å
458	K	95.1	Very high	92.4	Very high	51 Å²	51	60.2 Å²	60.2	22%	0.222	30%	0.301	C	S	.	.	S	Bend	trans	-57.9	135.2	179.6	-174.4	169.5	-176.9	169.8	0	110.8	L454 R460 K551 D641 S643 L644	L454-K458 WeakPolarHBondContact O-CB 3.34Å; L454-K458 PolarHBondContact O-N 2.67Å; K458-R460 PolarHBondContact O-N 3.49Å; K458-K551 PolarHBondContact O-NZ 3.08Å; K458-D641 VanDerWaalsContact NZ-CG 3.33Å; K458-D641 IonicContact NZ-OD1 2.6Å; K458-D641 PolarHBondContact NZ-OD1 2.81Å; K458-D641 IonicContact NZ-OD2 3.62Å; K458-D641 PolarHBondContact NZ-OD2 3.22Å; K458-S643 WeakPolarHBondContact CE-OG 3.43Å; K458-S643 PolarHBondContact NZ-OG 2.98Å; K458-L644 HydrophobicContact CD-CD1 4.49Å; K458-L644 HydrophobicContact CG-CD1 4.28Å; K458-L644 HydrophobicContact CG-CD2 4.33Å
459	C	94.8	Very high	92.3	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-65.5	122.9	171.5	177.6	0	0	0	0	109	V457 R544 Y547 S548	V457-C459 PolarHBondContact O-N 2.88Å; C459-R544 HydrophobicContact CB-CG 3.92Å; C459-R544 PolarHBondContact O-NH1 3.11Å; C459-Y547 HydrophobicContact CB-CG 4.18Å; C459-S548 WeakPolarHBondContact CB-OG 2.95Å; C459-S548 PolarHBondContact N-OG 3.33Å
460	R	93.6	Very high	92.2	Very high	100 Å²	100	54.9 Å²	54.9	38%	0.377	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-78.6	165.3	-178.1	-62.9	177.8	173	-178.2	-3.5	111.4	K458 D462 E463 I464	K458-R460 PolarHBondContact O-N 3.49Å; R460-D462 WeakPolarHBondContact CB-OD1 3.48Å; R460-D462 PolarHBondContact O-N 3.36Å; R460-E463 HydrophobicContact CB-CB 4.47Å; R460-E463 HydrophobicContact CB-CG 4.2Å; R460-E463 PolarHBondContact N-OE2 3.17Å; R460-E463 PolarHBondContact O-N 2.74Å; R460-I464 PolarHBondContact O-N 3.33Å
461	N	91.6	Very high	92.2	Very high	69 Å²	69	57 Å²	57	37%	0.369	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-21.6	-178.7	-63.6	-11.5	0	0	0	113.3	I464 W479 R544	N461-I464 WeakPolarHBondContact O-CG2 3.05Å; N461-W479 HydrophobicContact CB-CZ3 4.16Å; N461-W479 WeakPolarHBondContact ND2-CZ3 3.42Å; N461-R544 PolarHBondContact OD1-NH1 3.02Å; N461-R544 PolarHBondContact OD1-NH2 2.87Å
462	D	92.9	Very high	92.2	Very high	89 Å²	89	59.6 Å²	59.6	48%	0.476	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-40.8	169	58.9	-46.1	0	0	0	111.9	R460 I464 Q465	R460-D462 WeakPolarHBondContact CB-OD1 3.48Å; R460-D462 PolarHBondContact O-N 3.36Å; D462-I464 PolarHBondContact O-N 2.81Å; D462-Q465 WeakPolarHBondContact O-CB 3.23Å; D462-Q465 PolarHBondContact O-N 2.82Å
463	E	94.1	Very high	92.1	Very high	42 Å²	42	57.4 Å²	57.4	20%	0.196	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-67.3	-36	-179.2	-66.8	173.9	141.3	0	0	112.6	R460 Q465 N466 Y547 K551	R460-E463 HydrophobicContact CB-CB 4.47Å; R460-E463 HydrophobicContact CB-CG 4.2Å; R460-E463 PolarHBondContact N-OE2 3.17Å; R460-E463 PolarHBondContact O-N 2.74Å; E463-Q465 PolarHBondContact O-N 3.06Å; E463-N466 VanDerWaalsContact O-CB 3.28Å; E463-N466 WeakPolarHBondContact O-CB 3.45Å; E463-N466 PolarHBondContact O-N 2.87Å; E463-N466 PolarHBondContact O-ND2 3.05Å; E463-Y547 HydrophobicContact CB-CE2 4.32Å; E463-Y547 WeakPolarHBondContact O-CE2 3.46Å; E463-K551 VanDerWaalsContact CD-NZ 3.32Å; E463-K551 IonicContact OE1-NZ 3.25Å; E463-K551 PolarHBondContact OE1-NZ 3.29Å; E463-K551 IonicContact OE2-NZ 2.69Å; E463-K551 PolarHBondContact OE2-NZ 3Å
464	I	93.8	Very high	91.9	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-61	-26.5	179.3	-160.1	169.7	0	0	0	112.2	R460 N461 D462 N466 I467 L468 P478 E540 V543 R544	R460-I464 PolarHBondContact O-N 3.33Å; N461-I464 WeakPolarHBondContact O-CG2 3.05Å; D462-I464 PolarHBondContact O-N 2.81Å; I464-N466 PolarHBondContact O-N 3.47Å; I464-I467 PolarHBondContact O-N 2.73Å; I464-I467 VanDerWaalsContact O-N 3.08Å; I464-L468 HydrophobicContact CD1-CD1 4.24Å; I464-L468 HydrophobicContact CG1-CD1 4.26Å; I464-L468 PolarHBondContact O-N 2.8Å; I464-P478 HydrophobicContact CG2-CG 3.95Å; I464-E540 HydrophobicContact CD1-CG 3.58Å; I464-V543 HydrophobicContact CG1-CG1 3.98Å; I464-R544 HydrophobicContact CD1-CB 4.11Å
465	Q	92.9	Very high	91.9	Very high	24 Å²	24	65.2 Å²	65.2	11%	0.112	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-65.2	-18.3	177.5	-62.9	-68.2	-39.3	0	0	113.2	D462 E463 I467 L468 N469 T470 R471 P478	D462-Q465 WeakPolarHBondContact O-CB 3.23Å; D462-Q465 PolarHBondContact O-N 2.82Å; E463-Q465 PolarHBondContact O-N 3.06Å; Q465-I467 PolarHBondContact O-N 3.4Å; Q465-L468 WeakPolarHBondContact CA-O 3.45Å; Q465-L468 PolarHBondContact OE1-O 3.23Å; Q465-L468 VanDerWaalsContact OE1-O 3.12Å; Q465-N469 WeakPolarHBondContact O-CA 3.35Å; Q465-N469 WeakPolarHBondContact O-CB 3.49Å; Q465-N469 PolarHBondContact O-N 3.06Å; Q465-T470 PolarHBondContact NE2-OG1 2.72Å; Q465-T470 VanDerWaalsContact OE1-N 3.15Å; Q465-T470 PolarHBondContact OE1-OG1 2.77Å; Q465-R471 HydrophobicContact CG-CG 4.41Å; Q465-P478 VanDerWaalsContact NE2-CD 3.32Å
466	N	92	Very high	91.9	Very high	89 Å²	89	59.8 Å²	59.8	48%	0.476	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-66.7	-18.6	173.9	-64.4	-33.3	0	0	0	113	E463 I464 L516 Y547	E463-N466 VanDerWaalsContact O-CB 3.28Å; E463-N466 WeakPolarHBondContact O-CB 3.45Å; E463-N466 PolarHBondContact O-N 2.87Å; E463-N466 PolarHBondContact O-ND2 3.05Å; I464-N466 PolarHBondContact O-N 3.47Å; N466-L516 HydrophobicContact CB-CD1 4.46Å; N466-L516 HydrophobicContact CB-CD2 4.28Å; N466-Y547 HydrophobicContact CB-CE2 4.37Å; N466-Y547 PolarHBondContact ND2-OH 3.48Å
467	I	91.9	Very high	91.8	Very high	3 Å²	3	56.2 Å²	56.2	2%	0.015	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.2	-49.3	178.8	-58.1	178	0	0	0	110.4	I464 Q465 L490 L516 V519 K520 I523 V543 Y547	I464-I467 PolarHBondContact O-N 2.73Å; I464-I467 VanDerWaalsContact O-N 3.08Å; Q465-I467 PolarHBondContact O-N 3.4Å; I467-L490 HydrophobicContact CG2-CD2 3.95Å; I467-L516 HydrophobicContact CD1-CD1 3.94Å; I467-L516 HydrophobicContact CG1-CD1 3.88Å; I467-V519 HydrophobicContact CD1-CB 4.4Å; I467-V519 HydrophobicContact CD1-CG1 3.61Å; I467-K520 HydrophobicContact CD1-CG 4.45Å; I467-K520 HydrophobicContact CG1-CG 4.39Å; I467-K520 HydrophobicContact CG2-CG 4.45Å; I467-I523 HydrophobicContact CD1-CD1 4.13Å; I467-I523 HydrophobicContact CG2-CD1 4.26Å; I467-V543 HydrophobicContact CB-CG1 3.89Å; I467-V543 HydrophobicContact CD1-CG1 3.99Å; I467-V543 HydrophobicContact CG1-CG1 4.49Å; I467-V543 HydrophobicContact CG2-CG1 3.87Å; I467-V543 HydrophobicContact CG2-CG2 4.31Å; I467-Y547 HydrophobicContact CD1-CD2 3.9Å; I467-Y547 HydrophobicContact CD1-CE2 4.34Å
468	L	92	Very high	91.5	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	27%	0.268	C	S	.	.	S	Bend	trans	-100.7	80	175.3	-66.6	176.1	0	0	0	108.7	I464 Q465 T470 L486 L490 V543	I464-L468 HydrophobicContact CD1-CD1 4.24Å; I464-L468 HydrophobicContact CG1-CD1 4.26Å; I464-L468 PolarHBondContact O-N 2.8Å; Q465-L468 WeakPolarHBondContact CA-O 3.45Å; Q465-L468 PolarHBondContact OE1-O 3.23Å; Q465-L468 VanDerWaalsContact OE1-O 3.12Å; L468-T470 HydrophobicContact CB-CG2 4.31Å; L468-T470 PolarHBondContact O-N 3.26Å; L468-L486 HydrophobicContact CD1-CD2 4.41Å; L468-L486 HydrophobicContact CD2-CD2 4.4Å; L468-L490 HydrophobicContact CD2-CD1 4.11Å; L468-L490 HydrophobicContact CD2-CD2 3.73Å; L468-L490 HydrophobicContact CD2-CG 3.74Å; L468-V543 HydrophobicContact CD1-CB 4.08Å; L468-V543 HydrophobicContact CD1-CG1 4.29Å; L468-V543 HydrophobicContact CD1-CG2 3.97Å; L468-V543 HydrophobicContact CD2-CG2 4.36Å; L468-V543 HydrophobicContact CG-CB 4.44Å; L468-V543 HydrophobicContact CG-CG1 4.27Å; L468-V543 HydrophobicContact CG-CG2 4.06Å
469	N	90.9	Very high	91	Very high	44 Å²	44	59 Å²	59	24%	0.235	28%	0.28	C	S	.	.			trans	-75.2	49.9	-177.2	68.1	-30.3	0	0	0	113	Q465 R471 E472 V473 I489	Q465-N469 WeakPolarHBondContact O-CA 3.35Å; Q465-N469 WeakPolarHBondContact O-CB 3.49Å; Q465-N469 PolarHBondContact O-N 3.06Å; N469-R471 VanDerWaalsContact C-N 3.29Å; N469-R471 PolarHBondContact O-N 3.44Å; N469-E472 HydrophobicContact CB-CB 4.39Å; N469-E472 PolarHBondContact ND2-OE2 3.06Å; N469-E472 PolarHBondContact O-N 2.67Å; N469-E472 VanDerWaalsContact O-N 3.15Å; N469-V473 WeakPolarHBondContact O-CG2 3.45Å; N469-V473 PolarHBondContact O-N 3.3Å; N469-V473 VanDerWaalsContact O-N 3.08Å; N469-I489 WeakPolarHBondContact OD1-CG2 3.46Å
470	T	89.9	Confident	90.7	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-63	-34.3	-175.8	60.5	0	0	0	0	112.5	Q465 L468 E472 V473 Y474 D475 C476 P478 L486 I489	Q465-T470 PolarHBondContact NE2-OG1 2.72Å; Q465-T470 VanDerWaalsContact OE1-N 3.15Å; Q465-T470 PolarHBondContact OE1-OG1 2.77Å; L468-T470 HydrophobicContact CB-CG2 4.31Å; L468-T470 PolarHBondContact O-N 3.26Å; T470-E472 VanDerWaalsContact C-N 3.29Å; T470-E472 PolarHBondContact O-N 2.92Å; T470-V473 PolarHBondContact O-N 2.95Å; T470-Y474 CarbonylContact O-C 3.57Å; T470-Y474 WeakPolarHBondContact O-CA 3.43Å; T470-Y474 PolarHBondContact O-N 3.42Å; T470-D475 PolarHBondContact O-N 3.03Å; T470-D475 VanDerWaalsContact O-N 3.15Å; T470-C476 CarbonylContact C-O 3.55Å; T470-C476 VanDerWaalsContact C-O 3.28Å; T470-C476 VanDerWaalsContact CB-O 3.25Å; T470-C476 WeakPolarHBondContact CB-O 3.42Å; T470-C476 PolarHBondContact OG1-O 2.98Å; T470-P478 HydrophobicContact CG2-CB 4.45Å; T470-P478 HydrophobicContact CG2-CG 4.38Å; T470-L486 HydrophobicContact CG2-CD2 3.46Å; T470-L486 VanDerWaalsContact CG2-CD2 3.46Å; T470-I489 HydrophobicContact CG2-CD1 3.77Å
471	R	90.3	Very high	90.5	Very high	105 Å²	105	60.2 Å²	60.2	40%	0.396	30%	0.295	S	S	.	.	H	α-helix	trans	-63.4	-36.6	176.4	-70	178.4	-174.7	161.6	2.4	112.1	Q465 N469 D475 C476 E477	Q465-R471 HydrophobicContact CG-CG 4.41Å; N469-R471 VanDerWaalsContact C-N 3.29Å; N469-R471 PolarHBondContact O-N 3.44Å; R471-D475 WeakPolarHBondContact O-CA 3.37Å; R471-D475 PolarHBondContact O-N 3.41Å; R471-C476 PolarHBondContact N-O 2.92Å; R471-E477 IonicContact CZ-OE1 3.09Å; R471-E477 IonicContact CZ-OE2 3.83Å; R471-E477 VanDerWaalsContact NE-CD 3.3Å; R471-E477 IonicContact NE-OE1 3.03Å; R471-E477 PolarHBondContact NE-OE1 2.77Å; R471-E477 IonicContact NE-OE2 2.65Å; R471-E477 PolarHBondContact NE-OE2 3.4Å; R471-E477 VanDerWaalsContact NH2-CD 3.3Å; R471-E477 IonicContact NH2-OE1 2.89Å; R471-E477 PolarHBondContact NH2-OE1 3.27Å; R471-E477 IonicContact NH2-OE2 2.68Å; R471-E477 PolarHBondContact NH2-OE2 3.35Å; R471-E477 VanDerWaalsContact NH2-OE2 3.09Å
472	E	89.8	Confident	90.4	Very high	158 Å²	158	63.6 Å²	63.6	74%	0.738	31%	0.309	S	S	*	.	H	α-helix	trans	-77.9	-39.7	179.5	-173.2	-174.4	-176.8	0	0	111.7	N469 T470	N469-E472 HydrophobicContact CB-CB 4.39Å; N469-E472 PolarHBondContact ND2-OE2 3.06Å; N469-E472 PolarHBondContact O-N 2.67Å; N469-E472 VanDerWaalsContact O-N 3.15Å; T470-E472 VanDerWaalsContact C-N 3.29Å; T470-E472 PolarHBondContact O-N 2.92Å
473	V	89.7	Confident	90.2	Very high	71 Å²	71	63.2 Å²	63.2	43%	0.43	30%	0.304	S	S	.	.	H	α-helix	trans	-87.1	-40.1	-172	-178.9	0	0	0	0	112.6	N469 T470	N469-V473 WeakPolarHBondContact O-CG2 3.45Å; N469-V473 PolarHBondContact O-N 3.3Å; N469-V473 VanDerWaalsContact O-N 3.08Å; T470-V473 PolarHBondContact O-N 2.95Å
474	Y	88.4	Confident	89.9	Confident	91 Å²	91	68.6 Å²	68.6	36%	0.357	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.7	-3.1	-168.4	-59.2	-60.4	0	0	0	114.2	T470 C476 D485 I489	T470-Y474 CarbonylContact O-C 3.57Å; T470-Y474 WeakPolarHBondContact O-CA 3.43Å; T470-Y474 PolarHBondContact O-N 3.42Å; Y474-C476 WeakPolarHBondContact CB-SG 3.25Å; Y474-C476 PolarHBondContact O-N 3.36Å; Y474-D485 HydrophobicContact CD2-CB 4.49Å; Y474-D485 HydrophobicContact CE2-CB 3.89Å; Y474-I489 HydrophobicContact CD2-CD1 3.99Å; Y474-I489 HydrophobicContact CE2-CD1 3.6Å; Y474-I489 HydrophobicContact CE2-CG1 3.82Å
475	D	90.3	Very high	89.7	Confident	154 Å²	154	71.3 Å²	71.3	82%	0.824	34%	0.344	S	S	*	.	S	Bend	trans	55.4	28.1	-175.7	-156.4	30.9	0	0	0	113.1	T470 R471	T470-D475 PolarHBondContact O-N 3.03Å; T470-D475 VanDerWaalsContact O-N 3.15Å; R471-D475 WeakPolarHBondContact O-CA 3.37Å; R471-D475 PolarHBondContact O-N 3.41Å
476	C	89.9	Confident	89.6	Confident	29 Å²	29	70.2 Å²	70.2	20%	0.196	34%	0.339	C	S	.	.	S	Bend	trans	-122.1	154.9	175.7	55.8	0	0	0	0	112.2	T470 R471 Y474 D480 C481	T470-C476 CarbonylContact C-O 3.55Å; T470-C476 VanDerWaalsContact C-O 3.28Å; T470-C476 VanDerWaalsContact CB-O 3.25Å; T470-C476 WeakPolarHBondContact CB-O 3.42Å; T470-C476 PolarHBondContact OG1-O 2.98Å; R471-C476 PolarHBondContact N-O 2.92Å; Y474-C476 WeakPolarHBondContact CB-SG 3.25Å; Y474-C476 PolarHBondContact O-N 3.36Å; C476-D480 HydrophobicContact CB-CB 4.14Å; C476-C481 WeakPolarHBondContact CB-SG 3.5Å; C476-C481 WeakPolarHBondContact SG-CB 3.48Å; C476-C481 CovalentContact SG-SG 2.08Å; C476-C481 PolarHBondContact SG-SG 3.15Å
477	E	89.9	Confident	89.5	Confident	42 Å²	42	68.2 Å²	68.2	20%	0.196	33%	0.328	C	S	.	.			trans	-76	154.8	165.3	-67.7	-72.9	175.5	0	0	110.3	R471 W479 D480 C481	R471-E477 IonicContact CZ-OE1 3.09Å; R471-E477 IonicContact CZ-OE2 3.83Å; R471-E477 VanDerWaalsContact NE-CD 3.3Å; R471-E477 IonicContact NE-OE1 3.03Å; R471-E477 PolarHBondContact NE-OE1 2.77Å; R471-E477 IonicContact NE-OE2 2.65Å; R471-E477 PolarHBondContact NE-OE2 3.4Å; R471-E477 VanDerWaalsContact NH2-CD 3.3Å; R471-E477 IonicContact NH2-OE1 2.89Å; R471-E477 PolarHBondContact NH2-OE1 3.27Å; R471-E477 IonicContact NH2-OE2 2.68Å; R471-E477 PolarHBondContact NH2-OE2 3.35Å; R471-E477 VanDerWaalsContact NH2-OE2 3.09Å; E477-W479 HydrophobicContact CB-CD2 3.77Å; E477-W479 HydrophobicContact CB-CE3 4.05Å; E477-W479 HydrophobicContact CB-CG 4.46Å; E477-W479 HydrophobicContact CB-CH2 3.65Å; E477-W479 HydrophobicContact CB-CZ2 3.34Å; E477-W479 HydrophobicContact CB-CZ3 3.98Å; E477-W479 HydrophobicContact CG-CH2 3.6Å; E477-W479 HydrophobicContact CG-CZ2 3.37Å; E477-W479 HydrophobicContact CG-CZ3 4.34Å; E477-W479 PolarHBondContact O-N 2.88Å; E477-W479 VanDerWaalsContact O-N 3.11Å; E477-D480 PolarHBondContact O-N 3.21Å; E477-C481 PolarHBondContact O-N 3.23Å; E477-C481 PolarHBondContact O-SG 3.43Å
478	P	87.2	Confident	89.4	Confident	1 Å²	1	71.8 Å²	71.8	1%	0.006	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-58.1	-32.6	-172.1	-26.1	36.3	0	0	0	114.4	I464 Q465 T470 D480 C481 L486 E540	I464-P478 HydrophobicContact CG2-CG 3.95Å; Q465-P478 VanDerWaalsContact NE2-CD 3.32Å; T470-P478 HydrophobicContact CG2-CB 4.45Å; T470-P478 HydrophobicContact CG2-CG 4.38Å; P478-D480 VanDerWaalsContact C-N 3.28Å; P478-D480 PolarHBondContact O-N 3.33Å; P478-C481 PolarHBondContact O-N 2.83Å; P478-L486 HydrophobicContact CB-CD2 4.44Å; P478-E540 HydrophobicContact CB-CG 3.95Å
479	W	85.7	Confident	89.2	Confident	129 Å²	129	72.3 Å²	72.3	49%	0.489	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-74.9	-15.7	178.7	60.3	72.5	0	0	0	113.8	N461 E477 E540	N461-W479 HydrophobicContact CB-CZ3 4.16Å; N461-W479 WeakPolarHBondContact ND2-CZ3 3.42Å; E477-W479 HydrophobicContact CB-CD2 3.77Å; E477-W479 HydrophobicContact CB-CE3 4.05Å; E477-W479 HydrophobicContact CB-CG 4.46Å; E477-W479 HydrophobicContact CB-CH2 3.65Å; E477-W479 HydrophobicContact CB-CZ2 3.34Å; E477-W479 HydrophobicContact CB-CZ3 3.98Å; E477-W479 HydrophobicContact CG-CH2 3.6Å; E477-W479 HydrophobicContact CG-CZ2 3.37Å; E477-W479 HydrophobicContact CG-CZ3 4.34Å; E477-W479 PolarHBondContact O-N 2.88Å; E477-W479 VanDerWaalsContact O-N 3.11Å; W479-E540 PolarHBondContact N-OE2 3.44Å
480	D	88.1	Confident	89.2	Confident	109 Å²	109	70.3 Å²	70.3	58%	0.583	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-94.2	-10.3	178	-66.4	-44.9	0	0	0	112	C476 E477 P478	C476-D480 HydrophobicContact CB-CB 4.14Å; E477-D480 PolarHBondContact O-N 3.21Å; P478-D480 VanDerWaalsContact C-N 3.28Å; P478-D480 PolarHBondContact O-N 3.33Å
481	C	88.5	Confident	89	Confident	15 Å²	15	75.5 Å²	75.5	10%	0.101	36%	0.362	C	S	.	.	S	Bend	trans	-96	149.4	-178.8	-39.4	0	0	0	0	110.3	C476 E477 P478 L486	C476-C481 WeakPolarHBondContact CB-SG 3.5Å; C476-C481 WeakPolarHBondContact SG-CB 3.48Å; C476-C481 CovalentContact SG-SG 2.08Å; C476-C481 PolarHBondContact SG-SG 3.15Å; E477-C481 PolarHBondContact O-N 3.23Å; E477-C481 PolarHBondContact O-SG 3.43Å; P478-C481 PolarHBondContact O-N 2.83Å; C481-L486 HydrophobicContact CB-CD2 4.14Å; C481-L486 HydrophobicContact CB-CG 4.46Å
482	E	89.9	Confident	88.6	Confident	140 Å²	140	78.5 Å²	78.5	65%	0.654	38%	0.378	S	S	*	.			trans	-73.5	153.5	179	-65.3	-70.1	158.5	0	0	111.4	E484 D485 L486	E482-E484 PolarHBondContact O-N 3.39Å; E482-E484 VanDerWaalsContact O-N 3.14Å; E482-D485 WeakPolarHBondContact O-CB 3.31Å; E482-D485 PolarHBondContact O-N 3.39Å; E482-L486 PolarHBondContact O-N 2.87Å; E482-L486 VanDerWaalsContact O-N 3.16Å
483	E	89.6	Confident	88.1	Confident	82 Å²	82	73.8 Å²	73.8	38%	0.383	36%	0.357	S	S	.	.	H	α-helix	trans	-58	-30.9	-179.8	-68.2	-83.5	129.9	0	0	112.6	L487 P538 Q539	E483-L487 VanDerWaalsContact O-CB 3.24Å; E483-L487 WeakPolarHBondContact O-CB 3.39Å; E483-L487 PolarHBondContact O-N 3.11Å; E483-P538 WeakPolarHBondContact OE2-CA 3.3Å; E483-Q539 VanDerWaalsContact CA-OE1 3.23Å; E483-Q539 VanDerWaalsContact CB-OE1 3.28Å; E483-Q539 PolarHBondContact O-OE1 3.35Å; E483-Q539 PolarHBondContact OE2-N 3.07Å; E483-Q539 PolarHBondContact OE2-NE2 2.86Å; E483-Q539 PolarHBondContact OE2-OE1 3.27Å
484	E	87.7	Confident	87.5	Confident	154 Å²	154	70.6 Å²	70.6	72%	0.72	34%	0.338	S	S	*	.	H	α-helix	trans	-67.6	-39	175.2	-64.9	-166.8	168.5	0	0	112.2	E482 L487 D488	E482-E484 PolarHBondContact O-N 3.39Å; E482-E484 VanDerWaalsContact O-N 3.14Å; E484-L487 PolarHBondContact O-N 2.87Å; E484-D488 PolarHBondContact O-N 3.24Å
485	D	89.8	Confident	86.6	Confident	58 Å²	58	69.1 Å²	69.1	31%	0.31	34%	0.339	S	S	.	.	H	α-helix	trans	-68.1	-42.2	179.9	-63	-34.4	0	0	0	111.2	Y474 E482 L487 D488 I489	Y474-D485 HydrophobicContact CD2-CB 4.49Å; Y474-D485 HydrophobicContact CE2-CB 3.89Å; E482-D485 WeakPolarHBondContact O-CB 3.31Å; E482-D485 PolarHBondContact O-N 3.39Å; D485-L487 VanDerWaalsContact C-N 3.35Å; D485-D488 PolarHBondContact O-N 3.05Å; D485-I489 PolarHBondContact O-N 3.45Å
486	L	90.5	Very high	85.8	Confident	1 Å²	1	65.5 Å²	65.5	1%	0.005	32%	0.324	C	S	.	.	H	α-helix	trans	-62.9	-43.1	174.4	-63.6	-178.3	0	0	0	111.2	L468 T470 P478 C481 E482 D488 I489 L490 Q539 E540	L468-L486 HydrophobicContact CD1-CD2 4.41Å; L468-L486 HydrophobicContact CD2-CD2 4.4Å; T470-L486 HydrophobicContact CG2-CD2 3.46Å; T470-L486 VanDerWaalsContact CG2-CD2 3.46Å; P478-L486 HydrophobicContact CB-CD2 4.44Å; C481-L486 HydrophobicContact CB-CD2 4.14Å; C481-L486 HydrophobicContact CB-CG 4.46Å; E482-L486 PolarHBondContact O-N 2.87Å; E482-L486 VanDerWaalsContact O-N 3.16Å; L486-D488 VanDerWaalsContact C-N 3.28Å; L486-D488 PolarHBondContact O-N 3.28Å; L486-I489 PolarHBondContact O-N 2.95Å; L486-L490 WeakPolarHBondContact O-CG 3.5Å; L486-L490 PolarHBondContact O-N 3.39Å; L486-L490 VanDerWaalsContact O-N 3.16Å; L486-Q539 HydrophobicContact CB-CB 4.21Å; L486-Q539 HydrophobicContact CD1-CB 4.48Å; L486-E540 HydrophobicContact CD1-CB 4.37Å
487	L	89.8	Confident	85	Confident	46 Å²	46	64.9 Å²	64.9	24%	0.241	32%	0.319	C	S	.	.	H	α-helix	trans	-63.1	-35.6	177.3	-179.7	64.4	0	0	0	111.9	E483 E484 D485 L490 K491 Y527	E483-L487 VanDerWaalsContact O-CB 3.24Å; E483-L487 WeakPolarHBondContact O-CB 3.39Å; E483-L487 PolarHBondContact O-N 3.11Å; E484-L487 PolarHBondContact O-N 2.87Å; D485-L487 VanDerWaalsContact C-N 3.35Å; L487-L490 PolarHBondContact O-N 3Å; L487-K491 HydrophobicContact CD1-CG 4.38Å; L487-K491 HydrophobicContact CG-CD 4.29Å; L487-K491 HydrophobicContact CG-CG 4.34Å; L487-K491 WeakPolarHBondContact O-CB 3.39Å; L487-K491 VanDerWaalsContact O-CG 3.31Å; L487-K491 WeakPolarHBondContact O-CG 3.49Å; L487-K491 PolarHBondContact O-N 3.36Å; L487-Y527 HydrophobicContact CD1-CE1 3.62Å
488	D	89	Confident	84.3	Confident	79 Å²	79	64.3 Å²	64.3	42%	0.422	32%	0.317	S	S	.	.	H	α-helix	trans	-69.6	-34.6	179.4	-79.1	-5.1	0	0	0	112.9	E484 D485 L486 K491 K492	E484-D488 PolarHBondContact O-N 3.24Å; D485-D488 PolarHBondContact O-N 3.05Å; L486-D488 VanDerWaalsContact C-N 3.28Å; L486-D488 PolarHBondContact O-N 3.28Å; D488-K491 IonicContact OD1-NZ 2.79Å; D488-K491 PolarHBondContact OD1-NZ 2.75Å; D488-K492 PolarHBondContact O-N 3.01Å
489	I	88.6	Confident	83.8	Confident	10 Å²	10	73.4 Å²	73.4	5%	0.051	36%	0.356	C	S	.	.	H	α-helix	trans	-59.8	-50.9	167.7	-64.4	171.6	0	0	0	109.9	N469 T470 Y474 D485 L486 K491 K492 D493	N469-I489 WeakPolarHBondContact OD1-CG2 3.46Å; T470-I489 HydrophobicContact CG2-CD1 3.77Å; Y474-I489 HydrophobicContact CD2-CD1 3.99Å; Y474-I489 HydrophobicContact CE2-CD1 3.6Å; Y474-I489 HydrophobicContact CE2-CG1 3.82Å; D485-I489 PolarHBondContact O-N 3.45Å; L486-I489 PolarHBondContact O-N 2.95Å; I489-K491 PolarHBondContact O-N 3.04Å; I489-K492 WeakPolarHBondContact O-CB 3.45Å; I489-K492 PolarHBondContact O-N 2.97Å; I489-D493 PolarHBondContact O-N 3.07Å
490	L	90	Very high	83.7	Confident	3 Å²	3	73.2 Å²	73.2	2%	0.016	36%	0.359	C	S	.	.	H	α-helix	trans	-63.9	-39.3	-177.3	-67.6	175.7	0	0	0	112.6	I467 L468 L486 L487 K492 D493 L494 Y527 Q539 V543	I467-L490 HydrophobicContact CG2-CD2 3.95Å; L468-L490 HydrophobicContact CD2-CD1 4.11Å; L468-L490 HydrophobicContact CD2-CD2 3.73Å; L468-L490 HydrophobicContact CD2-CG 3.74Å; L486-L490 WeakPolarHBondContact O-CG 3.5Å; L486-L490 PolarHBondContact O-N 3.39Å; L486-L490 VanDerWaalsContact O-N 3.16Å; L487-L490 PolarHBondContact O-N 3Å; L490-K492 PolarHBondContact O-N 3.3Å; L490-D493 PolarHBondContact O-N 3.48Å; L490-L494 HydrophobicContact CB-CD1 3.91Å; L490-L494 HydrophobicContact CB-CG 4.41Å; L490-L494 HydrophobicContact CD2-CD1 4.19Å; L490-L494 WeakPolarHBondContact O-CB 3.44Å; L490-L494 WeakPolarHBondContact O-CG 3.43Å; L490-L494 PolarHBondContact O-N 3.23Å; L490-Y527 HydrophobicContact CD1-CE2 4.21Å; L490-Y527 VanDerWaalsContact CD1-OH 3.3Å; L490-Y527 WeakPolarHBondContact CD1-OH 3.3Å; L490-Q539 HydrophobicContact CD1-CB 3.97Å; L490-Q539 HydrophobicContact CD1-CG 4.16Å; L490-V543 HydrophobicContact CD1-CG2 4.34Å; L490-V543 HydrophobicContact CD2-CG2 4.2Å
491	K	85.7	Confident	83.5	Confident	109 Å²	109	69.3 Å²	69.3	47%	0.474	34%	0.337	S	S	.	.	H	α-helix	trans	-63.7	-27.1	176.5	-77.6	173.3	-169.5	144.9	0	113.2	L487 D488 I489 P495	L487-K491 HydrophobicContact CD1-CG 4.38Å; L487-K491 HydrophobicContact CG-CD 4.29Å; L487-K491 HydrophobicContact CG-CG 4.34Å; L487-K491 WeakPolarHBondContact O-CB 3.39Å; L487-K491 VanDerWaalsContact O-CG 3.31Å; L487-K491 WeakPolarHBondContact O-CG 3.49Å; L487-K491 PolarHBondContact O-N 3.36Å; D488-K491 IonicContact OD1-NZ 2.79Å; D488-K491 PolarHBondContact OD1-NZ 2.75Å; I489-K491 PolarHBondContact O-N 3.04Å; K491-P495 WeakPolarHBondContact O-CD 3.31Å; K491-P495 WeakPolarHBondContact O-CG 3.43Å
492	K	83.6	Confident	83.6	Confident	168 Å²	168	72.4 Å²	72.4	73%	0.73	35%	0.35	S	S	*	.	H	α-helix	trans	-73.8	-40	177.5	-171.6	-179.2	175.7	-173.2	0	111.2	D488 I489 L490	D488-K492 PolarHBondContact O-N 3.01Å; I489-K492 WeakPolarHBondContact O-CB 3.45Å; I489-K492 PolarHBondContact O-N 2.97Å; L490-K492 PolarHBondContact O-N 3.3Å
493	D	77.3	Confident	83.6	Confident	59 Å²	59	65.8 Å²	65.8	32%	0.316	32%	0.319	S	S	.	.	H	α-helix	trans	-93.3	-34.4	-169.4	-91.3	25.6	0	0	0	114.6	I489 L490 K520	I489-D493 PolarHBondContact O-N 3.07Å; L490-D493 PolarHBondContact O-N 3.48Å; D493-K520 IonicContact OD2-NZ 2.83Å; D493-K520 PolarHBondContact OD2-NZ 3.06Å
494	L	78.7	Confident	83.8	Confident	3 Å²	3	65 Å²	65	2%	0.016	31%	0.313	C	S	.	.	S	Bend	trans	-82.4	-44.7	-170.4	-59.4	177.9	0	0	0	115.4	L490 P496 L497 K520 I523 Q524 Y527	L490-L494 HydrophobicContact CB-CD1 3.91Å; L490-L494 HydrophobicContact CB-CG 4.41Å; L490-L494 HydrophobicContact CD2-CD1 4.19Å; L490-L494 WeakPolarHBondContact O-CB 3.44Å; L490-L494 WeakPolarHBondContact O-CG 3.43Å; L490-L494 PolarHBondContact O-N 3.23Å; L494-P496 VanDerWaalsContact C-CD 3.45Å; L494-L497 HydrophobicContact CD2-CD1 4.46Å; L494-L497 VanDerWaalsContact O-CB 3.3Å; L494-L497 WeakPolarHBondContact O-CB 3.28Å; L494-L497 PolarHBondContact O-N 3.4Å; L494-K520 HydrophobicContact CD2-CB 3.69Å; L494-K520 HydrophobicContact CD2-CG 4.21Å; L494-K520 WeakPolarHBondContact CD2-O 3.25Å; L494-I523 HydrophobicContact CD1-CG2 3.95Å; L494-Q524 HydrophobicContact CB-CB 4.44Å; L494-Y527 HydrophobicContact CD1-CD2 4.19Å; L494-Y527 HydrophobicContact CD1-CE2 4.18Å
495	P	69.3	Low	84.2	Confident	60 Å²	60	61.7 Å²	61.7	39%	0.39	30%	0.297	S	S	.	.	H	α-helix	trans	-59.4	-35.4	-174.3	-25.6	35.9	0	0	0	116.3	K491 L497 I498	K491-P495 WeakPolarHBondContact O-CD 3.31Å; K491-P495 WeakPolarHBondContact O-CG 3.43Å; P495-L497 PolarHBondContact O-N 2.96Å; P495-I498 PolarHBondContact O-N 3.49Å
496	P	72.1	Confident	84.4	Confident	78 Å²	78	59.8 Å²	59.8	51%	0.506	29%	0.286	S	S	.	.	H	α-helix	trans	-58.5	-28.5	174.6	-25.8	35.4	0	0	0	113.5	L494 I498 K500	L494-P496 VanDerWaalsContact C-CD 3.45Å; P496-I498 PolarHBondContact O-N 3.44Å; P496-K500 VanDerWaalsContact O-CB 3.24Å; P496-K500 WeakPolarHBondContact O-CB 3.49Å; P496-K500 PolarHBondContact O-N 3.27Å; P496-K500 VanDerWaalsContact O-N 3.07Å
497	L	73.8	Confident	84.5	Confident	16 Å²	16	66.2 Å²	66.2	8%	0.084	31%	0.311	C	S	.	.	H	α-helix	trans	-70.4	-31.9	-174.4	-55.7	179.2	0	0	0	112.8	L494 P495 K499 K500 F501 K520	L494-L497 HydrophobicContact CD2-CD1 4.46Å; L494-L497 VanDerWaalsContact O-CB 3.3Å; L494-L497 WeakPolarHBondContact O-CB 3.28Å; L494-L497 PolarHBondContact O-N 3.4Å; P495-L497 PolarHBondContact O-N 2.96Å; L497-K499 PolarHBondContact O-N 2.95Å; L497-K500 HydrophobicContact CD2-CD 4.41Å; L497-K500 PolarHBondContact O-N 3.18Å; L497-F501 HydrophobicContact CB-CD2 4.16Å; L497-F501 HydrophobicContact CD2-CD2 4.26Å; L497-F501 HydrophobicContact CD2-CE2 3.83Å; L497-F501 WeakPolarHBondContact O-CB 3.42Å; L497-F501 PolarHBondContact O-N 3.15Å; L497-K520 HydrophobicContact CD1-CB 3.63Å; L497-K520 HydrophobicContact CD1-CD 4.34Å
498	I	75.9	Confident	84.8	Confident	31 Å²	31	64.2 Å²	64.2	16%	0.159	30%	0.3	C	S	.	.	H	α-helix	trans	-60.6	-49.6	179.8	-62.2	172.4	0	0	0	110.7	P495 P496 E502 I503 Y504 Q524 E528	P495-I498 PolarHBondContact O-N 3.49Å; P496-I498 PolarHBondContact O-N 3.44Å; I498-E502 WeakPolarHBondContact O-CA 3.39Å; I498-E502 PolarHBondContact O-N 3.46Å; I498-I503 HydrophobicContact CG1-CD1 3.88Å; I498-I503 HydrophobicContact CG1-CG1 4.38Å; I498-I503 HydrophobicContact CG2-CG1 4.22Å; I498-Y504 HydrophobicContact CG2-CD2 3.86Å; I498-Y504 HydrophobicContact CG2-CE2 3.86Å; I498-Q524 HydrophobicContact CD1-CG 3.76Å; I498-Q524 HydrophobicContact CG1-CG 3.84Å; I498-E528 HydrophobicContact CD1-CG 4.3Å; I498-E528 WeakPolarHBondContact CD1-OE1 3.38Å
499	K	77.1	Confident	85	Confident	192 Å²	192	62.1 Å²	62.1	84%	0.835	29%	0.292	S	S	*	.	H	α-helix	trans	-75.1	-33.4	180	-67	-177.3	-178.8	177.3	0	111.8	L497	L497-K499 PolarHBondContact O-N 2.95Å
500	K	81.9	Confident	85.2	Confident	125 Å²	125	62 Å²	62	54%	0.543	29%	0.291	S	S	.	.	H	α-helix	trans	-66.2	-41.3	178.8	-176.1	-174.1	175.3	-167.9	0	111.9	P496 L497 E517	P496-K500 VanDerWaalsContact O-CB 3.24Å; P496-K500 WeakPolarHBondContact O-CB 3.49Å; P496-K500 PolarHBondContact O-N 3.27Å; P496-K500 VanDerWaalsContact O-N 3.07Å; L497-K500 HydrophobicContact CD2-CD 4.41Å; L497-K500 PolarHBondContact O-N 3.18Å; K500-E517 IonicContact NZ-OE1 2.74Å; K500-E517 PolarHBondContact NZ-OE1 2.82Å
501	F	85.2	Confident	85.2	Confident	26 Å²	26	65.8 Å²	65.8	11%	0.114	31%	0.307	C	S	.	.	H	α-helix	trans	-112.6	-5.8	-169.5	-63	-48.6	0	0	0	115.1	L497 I503 F508 C513 E517	L497-F501 HydrophobicContact CB-CD2 4.16Å; L497-F501 HydrophobicContact CD2-CD2 4.26Å; L497-F501 HydrophobicContact CD2-CE2 3.83Å; L497-F501 WeakPolarHBondContact O-CB 3.42Å; L497-F501 PolarHBondContact O-N 3.15Å; F501-I503 HydrophobicContact CB-CG2 4.36Å; F501-F508 HydrophobicContact CB-CE2 4.16Å; F501-F508 VanDerWaalsContact O-CD2 3.25Å; F501-F508 WeakPolarHBondContact O-CD2 3.39Å; F501-C513 VanDerWaalsContact CE1-SG 3.56Å; F501-E517 HydrophobicContact CE2-CB 4.14Å; F501-E517 HydrophobicContact CE2-CG 4.31Å; F501-E517 HydrophobicContact CZ-CB 4.49Å; F501-E517 HydrophobicContact CZ-CG 4.45Å; F501-E517 WeakPolarHBondContact CZ-OE1 3.46Å
502	E	89.7	Confident	85.3	Confident	81 Å²	81	67.5 Å²	67.5	38%	0.379	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	61	43.1	176.1	-49.9	-173.8	138.4	0	0	113.7	I498 Y504 E505 R507	I498-E502 WeakPolarHBondContact O-CA 3.39Å; I498-E502 PolarHBondContact O-N 3.46Å; E502-Y504 PolarHBondContact O-N 3.15Å; E502-E505 HydrophobicContact CB-CB 4.12Å; E502-E505 HydrophobicContact CB-CG 3.9Å; E502-E505 WeakPolarHBondContact O-CB 3.36Å; E502-E505 PolarHBondContact O-N 3.44Å; E502-R507 VanDerWaalsContact CD-NH2 3.34Å; E502-R507 IonicContact OE1-CZ 3.05Å; E502-R507 IonicContact OE1-NE 3.06Å; E502-R507 IonicContact OE1-NH2 2.73Å; E502-R507 PolarHBondContact OE1-NH2 3.35Å; E502-R507 IonicContact OE2-CZ 3.49Å; E502-R507 IonicContact OE2-NE 2.66Å; E502-R507 PolarHBondContact OE2-NE 2.08Å; E502-R507 IonicContact OE2-NH2 3.48Å; E502-R507 PolarHBondContact OE2-NH2 3.43Å
503	I	91.4	Very high	85.7	Confident	1 Å²	1	59.8 Å²	59.8	1%	0.005	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-15.6	-175	66.1	171	0	0	0	115.1	I498 F501 F508 C521 Q569 T573	I498-I503 HydrophobicContact CG1-CD1 3.88Å; I498-I503 HydrophobicContact CG1-CG1 4.38Å; I498-I503 HydrophobicContact CG2-CG1 4.22Å; F501-I503 HydrophobicContact CB-CG2 4.36Å; I503-F508 HydrophobicContact CG2-CE2 4.4Å; I503-C521 HydrophobicContact CG2-CB 4.39Å; I503-Q569 PolarHBondContact O-NE2 3.08Å; I503-T573 PolarHBondContact O-OG1 3.4Å
504	Y	93.9	Very high	86.5	Confident	66 Å²	66	60.7 Å²	60.7	26%	0.259	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-11.3	174.1	-79.9	-81.6	0	0	0	113.8	I498 E502 E528 F572 T573 T576 T577	I498-Y504 HydrophobicContact CG2-CD2 3.86Å; I498-Y504 HydrophobicContact CG2-CE2 3.86Å; E502-Y504 PolarHBondContact O-N 3.15Å; Y504-E528 HydrophobicContact CE2-CG 4.45Å; Y504-E528 WeakPolarHBondContact OH-CB 3.4Å; Y504-E528 VanDerWaalsContact OH-CD 3.23Å; Y504-E528 VanDerWaalsContact OH-CG 3.29Å; Y504-E528 WeakPolarHBondContact OH-CG 3.26Å; Y504-E528 PolarHBondContact OH-OE2 3.42Å; Y504-F572 AromaticContact CD1-CE1 3.83Å; Y504-F572 HydrophobicContact CD1-CE1 3.83Å; Y504-F572 HydrophobicContact CD1-CZ 4.11Å; Y504-F572 AromaticContact CE1-CE1 3.73Å; Y504-F572 HydrophobicContact CE1-CE1 3.73Å; Y504-F572 AromaticContact CE1-CZ 3.5Å; Y504-F572 HydrophobicContact CE1-CZ 3.5Å; Y504-F572 VanDerWaalsContact CE1-CZ 3.5Å; Y504-F572 HydrophobicContact CE2-CE1 4.44Å; Y504-F572 HydrophobicContact CE2-CZ 4.29Å; Y504-F572 HydrophobicContact CG-CE1 4.26Å; Y504-F572 AromaticContact CZ-CZ 3.61Å; Y504-T573 WeakPolarHBondContact O-CG2 3.28Å; Y504-T576 HydrophobicContact CE1-CG2 4.28Å; Y504-T577 PolarHBondContact O-OG1 2.76Å
505	E	94.4	Very high	87.2	Confident	84 Å²	84	65 Å²	65	39%	0.393	32%	0.317	S	S	.	.	S	Bend	trans	-95.8	137.8	-174.4	-63.6	-63.9	156.6	0	0	111	E502 R507 F508 Q569	E502-E505 HydrophobicContact CB-CB 4.12Å; E502-E505 HydrophobicContact CB-CG 3.9Å; E502-E505 WeakPolarHBondContact O-CB 3.36Å; E502-E505 PolarHBondContact O-N 3.44Å; E505-R507 HydrophobicContact CB-CG 3.96Å; E505-R507 PolarHBondContact O-N 3.31Å; E505-F508 WeakPolarHBondContact O-CB 3.35Å; E505-F508 PolarHBondContact O-N 3.48Å; E505-Q569 PolarHBondContact O-NE2 2.75Å
506	F	94.4	Very high	88.3	Confident	18 Å²	18	64.9 Å²	64.9	8%	0.079	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-25.3	176.7	-70.1	-69.2	0	0	0	113	F508 T573 L574 T577 K726 M798	F506-F508 PolarHBondContact O-N 3.05Å; F506-T573 HydrophobicContact CD1-CG2 3.58Å; F506-T573 HydrophobicContact CD2-CG2 4.22Å; F506-T573 HydrophobicContact CE1-CG2 3.46Å; F506-T573 VanDerWaalsContact CE1-CG2 3.46Å; F506-T573 HydrophobicContact CE2-CG2 4.11Å; F506-T573 HydrophobicContact CG-CG2 3.97Å; F506-T573 HydrophobicContact CZ-CG2 3.74Å; F506-L574 HydrophobicContact CE1-CD2 3.76Å; F506-L574 HydrophobicContact CE1-CG 4.15Å; F506-L574 HydrophobicContact CZ-CD2 4.04Å; F506-T577 HydrophobicContact CE2-CG2 4.15Å; F506-K726 WeakPolarHBondContact O-CD 3.44Å; F506-K726 PolarHBondContact O-NZ 3.21Å; F506-M798 HydrophobicContact CB-CG 4.16Å; F506-M798 HydrophobicContact CD1-CE 4.32Å; F506-M798 HydrophobicContact CD1-CG 3.64Å; F506-M798 HydrophobicContact CD1-SD 3.44Å; F506-M798 WeakPolarHBondContact CD1-SD 3.46Å; F506-M798 HydrophobicContact CD2-CG 4.39Å; F506-M798 HydrophobicContact CE1-CG 4.08Å; F506-M798 HydrophobicContact CE1-SD 3.46Å; F506-M798 WeakPolarHBondContact CE1-SD 3.44Å; F506-M798 HydrophobicContact CG-CG 3.82Å; F506-M798 HydrophobicContact CG-SD 4.24Å; F506-M798 HydrophobicContact CZ-SD 4.27Å
507	R	93.9	Very high	89.3	Confident	136 Å²	136	63 Å²	63	51%	0.513	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	0.6	179.5	67.2	166.5	-179.2	-118.1	3	114.8	E502 E505 P727	E502-R507 VanDerWaalsContact CD-NH2 3.34Å; E502-R507 IonicContact OE1-CZ 3.05Å; E502-R507 IonicContact OE1-NE 3.06Å; E502-R507 IonicContact OE1-NH2 2.73Å; E502-R507 PolarHBondContact OE1-NH2 3.35Å; E502-R507 IonicContact OE2-CZ 3.49Å; E502-R507 IonicContact OE2-NE 2.66Å; E502-R507 PolarHBondContact OE2-NE 2.08Å; E502-R507 IonicContact OE2-NH2 3.48Å; E502-R507 PolarHBondContact OE2-NH2 3.43Å; E505-R507 HydrophobicContact CB-CG 3.96Å; E505-R507 PolarHBondContact O-N 3.31Å; R507-P727 HydrophobicContact CB-CG 4.34Å
508	F	94.6	Very high	90.3	Very high	3 Å²	3	62.2 Å²	62.2	1%	0.013	29%	0.293	C	S	.	.			trans	-44.3	138	179.2	171.8	-97.1	0	0	0	112.6	F501 I503 E505 F506 D510 L518 F565 N566 Q569	F501-F508 HydrophobicContact CB-CE2 4.16Å; F501-F508 VanDerWaalsContact O-CD2 3.25Å; F501-F508 WeakPolarHBondContact O-CD2 3.39Å; I503-F508 HydrophobicContact CG2-CE2 4.4Å; E505-F508 WeakPolarHBondContact O-CB 3.35Å; E505-F508 PolarHBondContact O-N 3.48Å; F506-F508 PolarHBondContact O-N 3.05Å; F508-D510 HydrophobicContact CE1-CB 3.89Å; F508-D510 HydrophobicContact CZ-CB 4.01Å; F508-L518 HydrophobicContact CZ-CD2 4.17Å; F508-F565 HydrophobicContact CE1-CD1 4.21Å; F508-F565 AromaticContact CE1-CE1 3.7Å; F508-F565 HydrophobicContact CE1-CE1 3.7Å; F508-F565 HydrophobicContact CZ-CD1 4.48Å; F508-F565 AromaticContact CZ-CE1 3.7Å; F508-F565 HydrophobicContact CZ-CE1 3.7Å; F508-N566 WeakPolarHBondContact CD1-OD1 3.27Å; F508-N566 WeakPolarHBondContact CE1-OD1 3.45Å; F508-Q569 HydrophobicContact CD1-CG 4.03Å; F508-Q569 HydrophobicContact CE1-CG 4.44Å; F508-Q569 HydrophobicContact CG-CG 4.3Å
509	S	93.4	Very high	91.3	Very high	36 Å²	36	60.8 Å²	60.8	25%	0.252	29%	0.286	S	S	.	.			trans	-135	128	175.6	-178.3	0	0	0	0	110.8	V730	S509-V730 WeakPolarHBondContact OG-CG2 3.41Å
510	D	93.4	Very high	92.2	Very high	7 Å²	7	53.1 Å²	53.1	4%	0.037	25%	0.252	C	S	.	.			trans	-88.2	-6.6	-177.1	65.8	-64.3	0	0	0	114	F508 N512 C513 L518 R562 N566	F508-D510 HydrophobicContact CE1-CB 3.89Å; F508-D510 HydrophobicContact CZ-CB 4.01Å; D510-N512 PolarHBondContact O-N 2.8Å; D510-N512 VanDerWaalsContact O-N 3.11Å; D510-C513 WeakPolarHBondContact O-CA 3.48Å; D510-C513 WeakPolarHBondContact O-CB 3.37Å; D510-C513 PolarHBondContact O-N 3.08Å; D510-L518 HydrophobicContact CB-CD1 4.21Å; D510-L518 HydrophobicContact CB-CD2 4.01Å; D510-R562 PolarHBondContact O-NH1 3.32Å; D510-R562 WeakPolarHBondContact OD2-CB 2.81Å; D510-R562 VanDerWaalsContact OD2-CD 3.26Å; D510-R562 WeakPolarHBondContact OD2-CD 3.31Å; D510-R562 WeakPolarHBondContact OD2-CG 3.37Å; D510-R562 IonicContact OD2-CZ 3.43Å; D510-R562 IonicContact OD2-NE 3.57Å; D510-R562 IonicContact OD2-NH1 3.68Å; D510-R562 PolarHBondContact OD2-NH1 3.49Å; D510-N566 VanDerWaalsContact CG-ND2 3.26Å; D510-N566 PolarHBondContact OD1-ND2 3.3Å
511	F	90.2	Very high	92.8	Very high	82 Å²	82	47.2 Å²	47.2	36%	0.36	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-26.2	-175.2	-68.7	-26.6	0	0	0	114.5	V730 K733 V734	F511-V730 HydrophobicContact CE2-CB 4.31Å; F511-V730 HydrophobicContact CE2-CG1 3.94Å; F511-V730 HydrophobicContact CE2-CG2 4.45Å; F511-V730 HydrophobicContact CZ-CG1 4.25Å; F511-K733 HydrophobicContact CD2-CD 4.2Å; F511-K733 HydrophobicContact CE2-CB 3.96Å; F511-K733 HydrophobicContact CE2-CD 3.61Å; F511-K733 HydrophobicContact CE2-CG 4.39Å; F511-K733 HydrophobicContact CZ-CB 3.88Å; F511-K733 HydrophobicContact CZ-CD 4.22Å; F511-V734 HydrophobicContact CZ-CG2 4.1Å
512	N	87.6	Confident	93.3	Very high	146 Å²	146	46 Å²	46	78%	0.781	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.4	4	176.8	-62.3	-24.6	0	0	0	113	D510	D510-N512 PolarHBondContact O-N 2.8Å; D510-N512 VanDerWaalsContact O-N 3.11Å
513	C	91.6	Very high	93.6	Very high	5 Å²	5	42.1 Å²	42.1	3%	0.034	20%	0.203	C	C	.	.	S	Bend	trans	-104.5	143.1	-180	-55.6	0	0	0	0	110.7	F501 D510 L518 R562	F501-C513 VanDerWaalsContact CE1-SG 3.56Å; D510-C513 WeakPolarHBondContact O-CA 3.48Å; D510-C513 WeakPolarHBondContact O-CB 3.37Å; D510-C513 PolarHBondContact O-N 3.08Å; C513-L518 HydrophobicContact CB-CD2 3.62Å; C513-L518 HydrophobicContact CB-CG 4.13Å; C513-R562 PolarHBondContact O-NH1 3.49Å; C513-R562 PolarHBondContact O-NH2 3.04Å
514	T	93.7	Very high	93.7	Very high	78 Å²	78	42.8 Å²	42.8	48%	0.479	21%	0.207	S	C	.	.			trans	-76.2	157.3	164.3	62.1	0	0	0	0	110.8	L516 E517 L518	T514-L516 PolarHBondContact O-N 3.11Å; T514-E517 PolarHBondContact N-OE2 2.93Å; T514-E517 PolarHBondContact O-N 3.45Å; T514-E517 VanDerWaalsContact O-N 3.16Å; T514-E517 WeakPolarHBondContact OG1-CB 3.47Å; T514-E517 VanDerWaalsContact OG1-CG 3.23Å; T514-E517 WeakPolarHBondContact OG1-CG 3.36Å; T514-E517 PolarHBondContact OG1-N 3.02Å; T514-E517 PolarHBondContact OG1-OE2 3.12Å; T514-L518 WeakPolarHBondContact O-CG 3.4Å; T514-L518 PolarHBondContact O-N 3.45Å; T514-L518 VanDerWaalsContact O-N 3.15Å
515	E	92.8	Very high	93.8	Very high	93 Å²	93	39.7 Å²	39.7	44%	0.435	19%	0.194	S	C	.	.	H	α-helix	trans	-60.5	-34.7	178.5	-68.2	-176.2	168.8	0	0	112.5	L518 V519	E515-L518 WeakPolarHBondContact O-CB 3.32Å; E515-L518 PolarHBondContact O-N 3.47Å; E515-V519 PolarHBondContact O-N 3.06Å; E515-V519 VanDerWaalsContact O-N 3.1Å
516	L	93.2	Very high	94	Very high	58 Å²	58	35.7 Å²	35.7	30%	0.304	18%	0.175	S	C	.	.	H	α-helix	trans	-67.9	-38.8	176.2	-172.7	67	0	0	0	112.2	N466 I467 T514 L518 V519 K520 Y547	N466-L516 HydrophobicContact CB-CD1 4.46Å; N466-L516 HydrophobicContact CB-CD2 4.28Å; I467-L516 HydrophobicContact CD1-CD1 3.94Å; I467-L516 HydrophobicContact CG1-CD1 3.88Å; T514-L516 PolarHBondContact O-N 3.11Å; L516-L518 VanDerWaalsContact C-N 3.27Å; L516-L518 PolarHBondContact O-N 3.26Å; L516-V519 WeakPolarHBondContact O-CB 3.26Å; L516-V519 PolarHBondContact O-N 2.7Å; L516-K520 PolarHBondContact O-N 3.5Å; L516-Y547 HydrophobicContact CD1-CE2 3.97Å
517	E	93.6	Very high	94	Very high	38 Å²	38	37.1 Å²	37.1	18%	0.178	18%	0.181	C	C	.	.	H	α-helix	trans	-62.2	-36	173	-76.9	168.9	131.7	0	0	111.4	K500 F501 T514 K520 C521	K500-E517 IonicContact NZ-OE1 2.74Å; K500-E517 PolarHBondContact NZ-OE1 2.82Å; F501-E517 HydrophobicContact CE2-CB 4.14Å; F501-E517 HydrophobicContact CE2-CG 4.31Å; F501-E517 HydrophobicContact CZ-CB 4.49Å; F501-E517 HydrophobicContact CZ-CG 4.45Å; F501-E517 WeakPolarHBondContact CZ-OE1 3.46Å; T514-E517 PolarHBondContact N-OE2 2.93Å; T514-E517 PolarHBondContact O-N 3.45Å; T514-E517 VanDerWaalsContact O-N 3.16Å; T514-E517 WeakPolarHBondContact OG1-CB 3.47Å; T514-E517 VanDerWaalsContact OG1-CG 3.23Å; T514-E517 WeakPolarHBondContact OG1-CG 3.36Å; T514-E517 PolarHBondContact OG1-N 3.02Å; T514-E517 PolarHBondContact OG1-OE2 3.12Å; E517-K520 PolarHBondContact O-N 3.17Å; E517-C521 PolarHBondContact O-N 2.55Å; E517-C521 PolarHBondContact O-SG 3.2Å
518	L	95.4	Very high	94	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-65.6	-40.2	174.1	-59.4	-178.4	0	0	0	111.8	F508 D510 C513 T514 E515 L516 K520 C521 G522 R562 F565	F508-L518 HydrophobicContact CZ-CD2 4.17Å; D510-L518 HydrophobicContact CB-CD1 4.21Å; D510-L518 HydrophobicContact CB-CD2 4.01Å; C513-L518 HydrophobicContact CB-CD2 3.62Å; C513-L518 HydrophobicContact CB-CG 4.13Å; T514-L518 WeakPolarHBondContact O-CG 3.4Å; T514-L518 PolarHBondContact O-N 3.45Å; T514-L518 VanDerWaalsContact O-N 3.15Å; E515-L518 WeakPolarHBondContact O-CB 3.32Å; E515-L518 PolarHBondContact O-N 3.47Å; L516-L518 VanDerWaalsContact C-N 3.27Å; L516-L518 PolarHBondContact O-N 3.26Å; L518-K520 VanDerWaalsContact C-N 3.35Å; L518-K520 PolarHBondContact O-N 3.08Å; L518-C521 PolarHBondContact O-N 2.94Å; L518-G522 PolarHBondContact O-N 3.3Å; L518-R562 HydrophobicContact CD1-CG 4.09Å; L518-F565 HydrophobicContact CB-CD1 4.26Å; L518-F565 HydrophobicContact CB-CD2 3.9Å; L518-F565 HydrophobicContact CB-CE2 4.18Å; L518-F565 HydrophobicContact CB-CG 3.94Å; L518-F565 HydrophobicContact CB-CZ 4.47Å; L518-F565 HydrophobicContact CD1-CB 4.42Å; L518-F565 HydrophobicContact CD1-CD1 4.25Å; L518-F565 HydrophobicContact CD1-CG 4.31Å; L518-F565 HydrophobicContact CD2-CD1 3.74Å; L518-F565 HydrophobicContact CD2-CE1 3.65Å; L518-F565 HydrophobicContact CD2-CG 4.3Å; L518-F565 HydrophobicContact CD2-CZ 4.12Å; L518-F565 HydrophobicContact CG-CD1 4.29Å; L518-F565 HydrophobicContact CG-CG 4.4Å; L518-F565 WeakPolarHBondContact O-CD2 3.38Å; L518-F565 WeakPolarHBondContact O-CE2 3.3Å
519	V	96.4	Very high	94	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.006	17%	0.174	C	C	.	.	H	α-helix	trans	-59	-47.4	173.2	176.3	0	0	0	0	110.6	I467 E515 L516 C521 G522 I523 M546 W561	I467-V519 HydrophobicContact CD1-CB 4.4Å; I467-V519 HydrophobicContact CD1-CG1 3.61Å; E515-V519 PolarHBondContact O-N 3.06Å; E515-V519 VanDerWaalsContact O-N 3.1Å; L516-V519 WeakPolarHBondContact O-CB 3.26Å; L516-V519 PolarHBondContact O-N 2.7Å; V519-C521 PolarHBondContact O-N 3.26Å; V519-G522 PolarHBondContact O-N 3.03Å; V519-G522 VanDerWaalsContact O-N 3.14Å; V519-I523 HydrophobicContact CG1-CD1 4.07Å; V519-I523 WeakPolarHBondContact O-CG1 3.31Å; V519-I523 PolarHBondContact O-N 3.22Å; V519-M546 HydrophobicContact CG1-CB 4.07Å; V519-W561 HydrophobicContact CG2-CZ2 4.1Å
520	K	94.9	Very high	94.1	Very high	31 Å²	31	34.3 Å²	34.3	14%	0.135	18%	0.18	C	C	.	.	H	α-helix	trans	-58.8	-46.2	175.6	-70.7	-170.7	179.8	-166.9	0	111.8	I467 D493 L494 L497 L516 E517 L518 G522 I523 Q524	I467-K520 HydrophobicContact CD1-CG 4.45Å; I467-K520 HydrophobicContact CG1-CG 4.39Å; I467-K520 HydrophobicContact CG2-CG 4.45Å; D493-K520 IonicContact OD2-NZ 2.83Å; D493-K520 PolarHBondContact OD2-NZ 3.06Å; L494-K520 HydrophobicContact CD2-CB 3.69Å; L494-K520 HydrophobicContact CD2-CG 4.21Å; L494-K520 WeakPolarHBondContact CD2-O 3.25Å; L497-K520 HydrophobicContact CD1-CB 3.63Å; L497-K520 HydrophobicContact CD1-CD 4.34Å; L516-K520 PolarHBondContact O-N 3.5Å; E517-K520 PolarHBondContact O-N 3.17Å; L518-K520 VanDerWaalsContact C-N 3.35Å; L518-K520 PolarHBondContact O-N 3.08Å; K520-G522 VanDerWaalsContact C-N 3.29Å; K520-G522 PolarHBondContact O-N 3.21Å; K520-I523 PolarHBondContact O-N 3.38Å; K520-Q524 PolarHBondContact O-N 3.25Å
521	C	94.8	Very high	94.3	Very high	1 Å²	1	34 Å²	34	1%	0.007	18%	0.178	C	C	.	.	H	α-helix	trans	-60.5	-37.7	175.1	-71.9	0	0	0	0	112.6	I503 E517 L518 V519 Q524 M525 F565	I503-C521 HydrophobicContact CG2-CB 4.39Å; E517-C521 PolarHBondContact O-N 2.55Å; E517-C521 PolarHBondContact O-SG 3.2Å; L518-C521 PolarHBondContact O-N 2.94Å; V519-C521 PolarHBondContact O-N 3.26Å; C521-Q524 WeakPolarHBondContact O-CB 3.29Å; C521-Q524 PolarHBondContact O-N 2.91Å; C521-M525 WeakPolarHBondContact O-CG 3.49Å; C521-M525 PolarHBondContact O-N 3.3Å; C521-M525 VanDerWaalsContact O-N 3.11Å; C521-F565 HydrophobicContact CB-CE2 3.91Å; C521-F565 HydrophobicContact CB-CZ 3.63Å
522	G	95.9	Very high	94.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-66.1	-42.7	178.2	0	0	0	0	0	111.9	L518 V519 K520 Q524 M525 Y526	L518-G522 PolarHBondContact O-N 3.3Å; V519-G522 PolarHBondContact O-N 3.03Å; V519-G522 VanDerWaalsContact O-N 3.14Å; K520-G522 VanDerWaalsContact C-N 3.29Å; K520-G522 PolarHBondContact O-N 3.21Å; G522-Q524 VanDerWaalsContact C-N 3.3Å; G522-Q524 PolarHBondContact O-N 3.1Å; G522-M525 WeakPolarHBondContact O-CB 3.46Å; G522-M525 PolarHBondContact O-N 3.16Å; G522-Y526 WeakPolarHBondContact O-CD2 3.42Å
523	I	96.4	Very high	94.9	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-58.5	-44.6	171.8	-64.8	155.9	0	0	0	110.3	I467 L494 V519 K520 M525 Y526 Y527 L542 V543 M546	I467-I523 HydrophobicContact CD1-CD1 4.13Å; I467-I523 HydrophobicContact CG2-CD1 4.26Å; L494-I523 HydrophobicContact CD1-CG2 3.95Å; V519-I523 HydrophobicContact CG1-CD1 4.07Å; V519-I523 WeakPolarHBondContact O-CG1 3.31Å; V519-I523 PolarHBondContact O-N 3.22Å; K520-I523 PolarHBondContact O-N 3.38Å; I523-M525 VanDerWaalsContact C-N 3.26Å; I523-M525 PolarHBondContact O-N 2.97Å; I523-Y526 PolarHBondContact O-N 2.63Å; I523-Y526 VanDerWaalsContact O-N 3.14Å; I523-Y527 HydrophobicContact CG2-CD2 4.09Å; I523-Y527 HydrophobicContact CG2-CE2 3.73Å; I523-Y527 WeakPolarHBondContact O-CD2 3.42Å; I523-Y527 PolarHBondContact O-N 2.99Å; I523-L542 HydrophobicContact CG2-CD2 4.14Å; I523-L542 HydrophobicContact CG2-CG 4.45Å; I523-V543 HydrophobicContact CD1-CB 4.32Å; I523-V543 HydrophobicContact CD1-CG1 4.3Å; I523-V543 HydrophobicContact CD1-CG2 3.91Å; I523-M546 HydrophobicContact CG1-CB 3.95Å; I523-M546 HydrophobicContact CG1-CG 3.9Å
524	Q	94.2	Very high	95.2	Very high	16 Å²	16	38.2 Å²	38.2	8%	0.075	19%	0.189	C	C	.	.	H	α-helix	trans	-59.2	-35.9	178.6	-173.5	59.9	20.2	0	0	112.5	L494 I498 K520 C521 G522 Y526 Y527 E528	L494-Q524 HydrophobicContact CB-CB 4.44Å; I498-Q524 HydrophobicContact CD1-CG 3.76Å; I498-Q524 HydrophobicContact CG1-CG 3.84Å; K520-Q524 PolarHBondContact O-N 3.25Å; C521-Q524 WeakPolarHBondContact O-CB 3.29Å; C521-Q524 PolarHBondContact O-N 2.91Å; G522-Q524 VanDerWaalsContact C-N 3.3Å; G522-Q524 PolarHBondContact O-N 3.1Å; Q524-Y526 VanDerWaalsContact C-N 3.28Å; Q524-Y526 PolarHBondContact O-N 3.4Å; Q524-Y527 WeakPolarHBondContact O-CB 3.31Å; Q524-Y527 PolarHBondContact O-N 3.33Å; Q524-Y527 VanDerWaalsContact O-N 3.07Å; Q524-E528 HydrophobicContact CG-CG 4.21Å; Q524-E528 PolarHBondContact NE2-OE1 2.66Å; Q524-E528 WeakPolarHBondContact O-CG 3.35Å; Q524-E528 PolarHBondContact O-N 3.21Å
525	M	95.9	Very high	95.4	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-59.3	-37.4	177.7	-67.3	172.7	-165.9	0	0	112.6	C521 G522 I523 E528 V529 F565 Q569 F572 F597	C521-M525 WeakPolarHBondContact O-CG 3.49Å; C521-M525 PolarHBondContact O-N 3.3Å; C521-M525 VanDerWaalsContact O-N 3.11Å; G522-M525 WeakPolarHBondContact O-CB 3.46Å; G522-M525 PolarHBondContact O-N 3.16Å; I523-M525 VanDerWaalsContact C-N 3.26Å; I523-M525 PolarHBondContact O-N 2.97Å; M525-E528 PolarHBondContact O-N 3.18Å; M525-V529 WeakPolarHBondContact O-CG2 3.3Å; M525-V529 PolarHBondContact O-N 3.43Å; M525-V529 VanDerWaalsContact O-N 3.12Å; M525-F565 HydrophobicContact CE-CE1 4.34Å; M525-F565 HydrophobicContact CE-CE2 3.86Å; M525-F565 HydrophobicContact CE-CZ 3.51Å; M525-Q569 HydrophobicContact CE-CB 3.67Å; M525-Q569 HydrophobicContact CE-CG 3.68Å; M525-F572 HydrophobicContact CB-CD2 3.83Å; M525-F572 HydrophobicContact CB-CE2 4.16Å; M525-F572 HydrophobicContact CB-CG 4.2Å; M525-F572 HydrophobicContact CG-CB 4.28Å; M525-F572 HydrophobicContact CG-CD1 4.11Å; M525-F572 HydrophobicContact CG-CD2 3.96Å; M525-F572 HydrophobicContact CG-CE1 4.45Å; M525-F572 HydrophobicContact CG-CE2 4.3Å; M525-F572 HydrophobicContact CG-CG 3.85Å; M525-F572 HydrophobicContact SD-CB 3.91Å; M525-F572 HydrophobicContact SD-CD1 4.44Å; M525-F572 HydrophobicContact SD-CG 4.1Å; M525-F597 HydrophobicContact SD-CZ 3.86Å
526	Y	97.2	Very high	95.5	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-66.3	-36.6	175.5	-76.2	-97.2	0	0	0	112.1	G522 I523 Q524 V529 G530 V531 L542 M546 M590 I593 T594 F597 I646	G522-Y526 WeakPolarHBondContact O-CD2 3.42Å; I523-Y526 PolarHBondContact O-N 2.63Å; I523-Y526 VanDerWaalsContact O-N 3.14Å; Q524-Y526 VanDerWaalsContact C-N 3.28Å; Q524-Y526 PolarHBondContact O-N 3.4Å; Y526-V529 WeakPolarHBondContact O-CG2 3.36Å; Y526-G530 PolarHBondContact O-N 3.09Å; Y526-V531 HydrophobicContact CD1-CG2 3.72Å; Y526-V531 HydrophobicContact CG-CG2 4.38Å; Y526-V531 WeakPolarHBondContact O-CG2 3.35Å; Y526-V531 PolarHBondContact O-N 3.28Å; Y526-L542 HydrophobicContact CD1-CD1 4.19Å; Y526-L542 HydrophobicContact CD2-CD1 3.98Å; Y526-L542 HydrophobicContact CE1-CD1 4.49Å; Y526-L542 HydrophobicContact CE2-CD1 4.29Å; Y526-L542 HydrophobicContact CG-CD1 3.94Å; Y526-L542 HydrophobicContact CG-CD2 4.44Å; Y526-M546 HydrophobicContact CE2-SD 3.85Å; Y526-M590 HydrophobicContact CD1-CG 4.41Å; Y526-M590 HydrophobicContact CE1-CG 3.98Å; Y526-I593 HydrophobicContact CE2-CG2 4.11Å; Y526-T594 WeakPolarHBondContact OH-CA 3.33Å; Y526-T594 WeakPolarHBondContact OH-CB 3.32Å; Y526-T594 PolarHBondContact OH-OG1 3.38Å; Y526-F597 HydrophobicContact CE2-CD2 4.28Å; Y526-F597 AromaticContact CE2-CE2 3.92Å; Y526-F597 HydrophobicContact CE2-CE2 3.92Å; Y526-I646 HydrophobicContact CE1-CD1 4.08Å
527	Y	94.8	Very high	95.7	Very high	49 Å²	49	35.5 Å²	35.5	19%	0.192	17%	0.169	C	C	.	.	H	α-helix	trans	-67.3	-44.2	173.5	-75.9	-75	0	0	0	112	L487 L490 L494 I523 Q524 V529 G530 V532 Q539 L542	L487-Y527 HydrophobicContact CD1-CE1 3.62Å; L490-Y527 HydrophobicContact CD1-CE2 4.21Å; L490-Y527 VanDerWaalsContact CD1-OH 3.3Å; L490-Y527 WeakPolarHBondContact CD1-OH 3.3Å; L494-Y527 HydrophobicContact CD1-CD2 4.19Å; L494-Y527 HydrophobicContact CD1-CE2 4.18Å; I523-Y527 HydrophobicContact CG2-CD2 4.09Å; I523-Y527 HydrophobicContact CG2-CE2 3.73Å; I523-Y527 WeakPolarHBondContact O-CD2 3.42Å; I523-Y527 PolarHBondContact O-N 2.99Å; Q524-Y527 WeakPolarHBondContact O-CB 3.31Å; Q524-Y527 PolarHBondContact O-N 3.33Å; Q524-Y527 VanDerWaalsContact O-N 3.07Å; Y527-V529 VanDerWaalsContact C-N 3.33Å; Y527-V529 PolarHBondContact O-N 3.28Å; Y527-G530 WeakPolarHBondContact O-CA 3.16Å; Y527-G530 PolarHBondContact O-N 2.89Å; Y527-V532 HydrophobicContact CD1-CB 4.07Å; Y527-V532 HydrophobicContact CD1-CG1 4.33Å; Y527-V532 HydrophobicContact CD1-CG2 4.02Å; Y527-V532 HydrophobicContact CE1-CB 3.96Å; Y527-V532 HydrophobicContact CE1-CG1 3.7Å; Y527-V532 HydrophobicContact CE1-CG2 4.07Å; Y527-V532 HydrophobicContact CG-CG2 4.24Å; Y527-Q539 WeakPolarHBondContact OH-CG 3.49Å; Y527-L542 HydrophobicContact CE2-CD2 4.37Å
528	E	93.8	Very high	95.9	Very high	74 Å²	74	34.5 Å²	34.5	35%	0.346	17%	0.166	S	C	.	.	H	α-helix	trans	-63.2	-35.8	-179.1	-72.1	-54.2	149.8	0	0	113.2	I498 Y504 Q524 M525 G530 F572	I498-E528 HydrophobicContact CD1-CG 4.3Å; I498-E528 WeakPolarHBondContact CD1-OE1 3.38Å; Y504-E528 HydrophobicContact CE2-CG 4.45Å; Y504-E528 WeakPolarHBondContact OH-CB 3.4Å; Y504-E528 VanDerWaalsContact OH-CD 3.23Å; Y504-E528 VanDerWaalsContact OH-CG 3.29Å; Y504-E528 WeakPolarHBondContact OH-CG 3.26Å; Y504-E528 PolarHBondContact OH-OE2 3.42Å; Q524-E528 HydrophobicContact CG-CG 4.21Å; Q524-E528 PolarHBondContact NE2-OE1 2.66Å; Q524-E528 WeakPolarHBondContact O-CG 3.35Å; Q524-E528 PolarHBondContact O-N 3.21Å; M525-E528 PolarHBondContact O-N 3.18Å; E528-G530 PolarHBondContact O-N 3.48Å; E528-F572 HydrophobicContact CB-CE2 3.74Å; E528-F572 HydrophobicContact CB-CZ 3.79Å; E528-F572 HydrophobicContact CG-CZ 4.24Å
529	V	95.1	Very high	95.8	Very high	5 Å²	5	35.3 Å²	35.3	3%	0.03	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-8.6	175	-60.1	0	0	0	0	113.5	M525 Y526 Y527 V531 F572 K581 V589 I593	M525-V529 WeakPolarHBondContact O-CG2 3.3Å; M525-V529 PolarHBondContact O-N 3.43Å; M525-V529 VanDerWaalsContact O-N 3.12Å; Y526-V529 WeakPolarHBondContact O-CG2 3.36Å; Y527-V529 VanDerWaalsContact C-N 3.33Å; Y527-V529 PolarHBondContact O-N 3.28Å; V529-V531 HydrophobicContact CG2-CB 4.24Å; V529-V531 HydrophobicContact CG2-CG1 3.68Å; V529-V531 HydrophobicContact CG2-CG2 3.73Å; V529-F572 HydrophobicContact CG1-CD2 3.84Å; V529-F572 HydrophobicContact CG1-CE2 3.79Å; V529-K581 PolarHBondContact O-NZ 3.02Å; V529-V589 HydrophobicContact CB-CG1 4.05Å; V529-V589 HydrophobicContact CG1-CG1 3.99Å; V529-V589 HydrophobicContact CG2-CG1 4.32Å; V529-I593 HydrophobicContact CG1-CD1 3.81Å; V529-I593 HydrophobicContact CG2-CD1 4.34Å
530	G	95.6	Very high	95.8	Very high	37 Å²	37	36.8 Å²	36.8	38%	0.381	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	81	12	174.2	0	0	0	0	0	115.5	Y526 Y527 E528 K534	Y526-G530 PolarHBondContact O-N 3.09Å; Y527-G530 WeakPolarHBondContact O-CA 3.16Å; Y527-G530 PolarHBondContact O-N 2.89Å; E528-G530 PolarHBondContact O-N 3.48Å; G530-K534 WeakPolarHBondContact O-CB 3.49Å; G530-K534 PolarHBondContact O-N 2.99Å
531	V	97.1	Very high	95.9	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-78	-31.2	-172.2	-63.6	0	0	0	0	112.7	Y526 V529 K533 K534 F535 I537 D586 M590	Y526-V531 HydrophobicContact CD1-CG2 3.72Å; Y526-V531 HydrophobicContact CG-CG2 4.38Å; Y526-V531 WeakPolarHBondContact O-CG2 3.35Å; Y526-V531 PolarHBondContact O-N 3.28Å; V529-V531 HydrophobicContact CG2-CB 4.24Å; V529-V531 HydrophobicContact CG2-CG1 3.68Å; V529-V531 HydrophobicContact CG2-CG2 3.73Å; V531-K533 PolarHBondContact O-N 3.33Å; V531-K534 PolarHBondContact O-N 3.42Å; V531-F535 HydrophobicContact CB-CD2 3.95Å; V531-F535 HydrophobicContact CB-CE2 4.22Å; V531-F535 HydrophobicContact CG1-CD2 4.39Å; V531-F535 HydrophobicContact CG1-CE2 4.15Å; V531-F535 WeakPolarHBondContact O-CD2 3.27Å; V531-F535 PolarHBondContact O-N 3.29Å; V531-I537 HydrophobicContact CG2-CD1 4.28Å; V531-D586 HydrophobicContact CG1-CB 4.12Å; V531-D586 WeakPolarHBondContact CG1-O 3.41Å; V531-M590 HydrophobicContact CB-CB 4.47Å; V531-M590 HydrophobicContact CB-SD 4.18Å; V531-M590 HydrophobicContact CG1-CB 4.08Å; V531-M590 HydrophobicContact CG2-CG 4.28Å; V531-M590 HydrophobicContact CG2-SD 4.15Å
532	V	96.1	Very high	96.1	Very high	6 Å²	6	35.9 Å²	35.9	4%	0.036	17%	0.174	C	C	.	.	H	α-helix	trans	-58.3	-52.8	-179.7	-176.9	0	0	0	0	111	Y527 Q536 I537 L542	Y527-V532 HydrophobicContact CD1-CB 4.07Å; Y527-V532 HydrophobicContact CD1-CG1 4.33Å; Y527-V532 HydrophobicContact CD1-CG2 4.02Å; Y527-V532 HydrophobicContact CE1-CB 3.96Å; Y527-V532 HydrophobicContact CE1-CG1 3.7Å; Y527-V532 HydrophobicContact CE1-CG2 4.07Å; Y527-V532 HydrophobicContact CG-CG2 4.24Å; V532-Q536 CarbonylContact O-C 3.3Å; V532-Q536 VanDerWaalsContact O-CA 3.25Å; V532-Q536 WeakPolarHBondContact O-CA 3.48Å; V532-Q536 PolarHBondContact O-N 2.85Å; V532-I537 HydrophobicContact CG1-CB 4.38Å; V532-I537 PolarHBondContact O-N 3.34Å; V532-L542 HydrophobicContact CG2-CD2 3.76Å
533	K	94.9	Very high	96.1	Very high	192 Å²	192	35.9 Å²	35.9	84%	0.835	17%	0.174	S	C	*	.	H	α-helix	trans	-68.4	-37.6	178.9	-176.1	174.7	-179.3	174.3	0	112.5	V531	V531-K533 PolarHBondContact O-N 3.33Å
534	K	97.1	Very high	96.2	Very high	123 Å²	123	36.3 Å²	36.3	54%	0.535	18%	0.175	S	C	.	.	H	α-helix	trans	-70.8	-41.9	-174.8	-178.9	169.5	178.5	165.4	0	112.9	G530 V531 D586	G530-K534 WeakPolarHBondContact O-CB 3.49Å; G530-K534 PolarHBondContact O-N 2.99Å; V531-K534 PolarHBondContact O-N 3.42Å; K534-D586 HydrophobicContact CD-CB 4.11Å; K534-D586 WeakPolarHBondContact CD-OD2 3.36Å; K534-D586 IonicContact NZ-OD2 3.92Å; K534-D586 PolarHBondContact NZ-OD2 3.27Å
535	F	97.6	Very high	96.4	Very high	26 Å²	26	35.6 Å²	35.6	11%	0.114	17%	0.172	C	C	.	.	H	α-helix	trans	-102.1	5.8	-179.2	-59.1	-65.5	0	0	0	113.1	V531 I537 D586 L587 M590 L650	V531-F535 HydrophobicContact CB-CD2 3.95Å; V531-F535 HydrophobicContact CB-CE2 4.22Å; V531-F535 HydrophobicContact CG1-CD2 4.39Å; V531-F535 HydrophobicContact CG1-CE2 4.15Å; V531-F535 WeakPolarHBondContact O-CD2 3.27Å; V531-F535 PolarHBondContact O-N 3.29Å; F535-I537 VanDerWaalsContact C-N 3.33Å; F535-I537 HydrophobicContact CB-CG1 4.19Å; F535-I537 PolarHBondContact O-N 3.45Å; F535-D586 HydrophobicContact CE2-CB 4.17Å; F535-D586 HydrophobicContact CZ-CB 4.4Å; F535-L587 HydrophobicContact CE1-CD1 4.31Å; F535-L587 HydrophobicContact CE2-CD1 4.47Å; F535-L587 HydrophobicContact CZ-CB 3.9Å; F535-L587 HydrophobicContact CZ-CD1 4.08Å; F535-M590 HydrophobicContact CD2-CE 4.09Å; F535-M590 HydrophobicContact CD2-SD 4.3Å; F535-M590 HydrophobicContact CE2-CE 4.34Å; F535-L650 HydrophobicContact CB-CD2 3.92Å; F535-L650 HydrophobicContact CD1-CD2 3.48Å; F535-L650 VanDerWaalsContact CD1-CD2 3.48Å; F535-L650 HydrophobicContact CE1-CD2 4.19Å; F535-L650 HydrophobicContact CG-CD2 3.84Å
536	Q	96.3	Very high	96.5	Very high	145 Å²	145	35.6 Å²	35.6	68%	0.678	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.4	49	179	-59.3	175.3	-11.6	0	0	111.6	V532 P538 N649	V532-Q536 CarbonylContact O-C 3.3Å; V532-Q536 VanDerWaalsContact O-CA 3.25Å; V532-Q536 WeakPolarHBondContact O-CA 3.48Å; V532-Q536 PolarHBondContact O-N 2.85Å; Q536-P538 WeakPolarHBondContact O-CD 3.4Å; Q536-N649 PolarHBondContact O-ND2 3.42Å
537	I	97.1	Very high	96.5	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.01	18%	0.178	C	C	.	.			trans	-72.7	123.8	179.2	-53	174.8	0	0	0	108.1	V531 V532 F535 Q539 L542 M590 I646	V531-I537 HydrophobicContact CG2-CD1 4.28Å; V532-I537 HydrophobicContact CG1-CB 4.38Å; V532-I537 PolarHBondContact O-N 3.34Å; F535-I537 VanDerWaalsContact C-N 3.33Å; F535-I537 HydrophobicContact CB-CG1 4.19Å; F535-I537 PolarHBondContact O-N 3.45Å; I537-Q539 PolarHBondContact O-N 2.89Å; I537-L542 HydrophobicContact CG2-CB 4.22Å; I537-M590 HydrophobicContact CD1-SD 3.58Å; I537-M590 VanDerWaalsContact CD1-SD 3.58Å; I537-I646 HydrophobicContact CG2-CB 3.97Å; I537-I646 HydrophobicContact CG2-CG2 4.15Å
538	P	96.6	Very high	96.7	Very high	16 Å²	16	34.9 Å²	34.9	10%	0.104	17%	0.169	C	C	.	.			trans	-61.3	136.4	178.6	-18.6	28.6	0	0	0	111.6	E483 Q536 E540 V541 L542 Q648	E483-P538 WeakPolarHBondContact OE2-CA 3.3Å; Q536-P538 WeakPolarHBondContact O-CD 3.4Å; P538-E540 PolarHBondContact O-N 2.88Å; P538-V541 HydrophobicContact CB-CB 4.12Å; P538-V541 HydrophobicContact CB-CG2 3.9Å; P538-V541 HydrophobicContact CG-CB 4.4Å; P538-V541 HydrophobicContact CG-CG2 4.09Å; P538-V541 PolarHBondContact O-N 2.86Å; P538-L542 PolarHBondContact O-N 3.31Å; P538-L542 VanDerWaalsContact O-N 3.07Å; P538-Q648 VanDerWaalsContact CG-NE2 3.3Å
539	Q	95	Very high	96.9	Very high	18 Å²	18	31.4 Å²	31.4	8%	0.084	15%	0.153	C	C	.	.	H	α-helix	trans	-66.9	-39.3	-175.4	-63.5	84.6	46.9	0	0	111.9	E483 L486 L490 Y527 I537 V541 L542 V543	E483-Q539 VanDerWaalsContact CA-OE1 3.23Å; E483-Q539 VanDerWaalsContact CB-OE1 3.28Å; E483-Q539 PolarHBondContact O-OE1 3.35Å; E483-Q539 PolarHBondContact OE2-N 3.07Å; E483-Q539 PolarHBondContact OE2-NE2 2.86Å; E483-Q539 PolarHBondContact OE2-OE1 3.27Å; L486-Q539 HydrophobicContact CB-CB 4.21Å; L486-Q539 HydrophobicContact CD1-CB 4.48Å; L490-Q539 HydrophobicContact CD1-CB 3.97Å; L490-Q539 HydrophobicContact CD1-CG 4.16Å; Y527-Q539 WeakPolarHBondContact OH-CG 3.49Å; I537-Q539 PolarHBondContact O-N 2.89Å; Q539-V541 PolarHBondContact O-N 3.01Å; Q539-L542 PolarHBondContact O-N 2.9Å; Q539-V543 VanDerWaalsContact O-CG2 3.29Å; Q539-V543 WeakPolarHBondContact O-CG2 3.35Å; Q539-V543 PolarHBondContact O-N 3.46Å
540	E	95.4	Very high	97	Very high	32 Å²	32	31.8 Å²	31.8	15%	0.15	16%	0.156	C	C	.	.	H	α-helix	trans	-57.7	-49.5	176.3	-169.4	-165.7	154	0	0	111.1	I464 P478 W479 L486 P538 L542 V543 R544	I464-E540 HydrophobicContact CD1-CG 3.58Å; P478-E540 HydrophobicContact CB-CG 3.95Å; W479-E540 PolarHBondContact N-OE2 3.44Å; L486-E540 HydrophobicContact CD1-CB 4.37Å; P538-E540 PolarHBondContact O-N 2.88Å; E540-L542 PolarHBondContact O-N 3.31Å; E540-V543 PolarHBondContact O-N 2.84Å; E540-R544 VanDerWaalsContact O-CB 3.27Å; E540-R544 WeakPolarHBondContact O-CB 3.43Å; E540-R544 PolarHBondContact O-N 3.42Å; E540-R544 IonicContact OE1-CZ 3.73Å; E540-R544 IonicContact OE1-NE 2.7Å; E540-R544 PolarHBondContact OE1-NE 3.36Å; E540-R544 IonicContact OE1-NH2 2.79Å; E540-R544 PolarHBondContact OE1-NH2 2.92Å
541	V	97.3	Very high	97	Very high	13 Å²	13	33 Å²	33	8%	0.079	15%	0.151	C	C	.	.	H	α-helix	trans	-62.4	-42	-178.8	177.3	0	0	0	0	110.9	P538 Q539 R544 F545 I646	P538-V541 HydrophobicContact CB-CB 4.12Å; P538-V541 HydrophobicContact CB-CG2 3.9Å; P538-V541 HydrophobicContact CG-CB 4.4Å; P538-V541 HydrophobicContact CG-CG2 4.09Å; P538-V541 PolarHBondContact O-N 2.86Å; Q539-V541 PolarHBondContact O-N 3.01Å; V541-R544 PolarHBondContact O-N 3Å; V541-F545 WeakPolarHBondContact O-CB 3.45Å; V541-F545 PolarHBondContact O-N 3.17Å; V541-I646 HydrophobicContact CG1-CG2 4.12Å
542	L	97.8	Very high	97	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-63.6	-45	177.2	178.1	61.1	0	0	0	112.4	I523 Y526 Y527 V532 I537 P538 Q539 E540 F545 M546 I646	I523-L542 HydrophobicContact CG2-CD2 4.14Å; I523-L542 HydrophobicContact CG2-CG 4.45Å; Y526-L542 HydrophobicContact CD1-CD1 4.19Å; Y526-L542 HydrophobicContact CD2-CD1 3.98Å; Y526-L542 HydrophobicContact CE1-CD1 4.49Å; Y526-L542 HydrophobicContact CE2-CD1 4.29Å; Y526-L542 HydrophobicContact CG-CD1 3.94Å; Y526-L542 HydrophobicContact CG-CD2 4.44Å; Y527-L542 HydrophobicContact CE2-CD2 4.37Å; V532-L542 HydrophobicContact CG2-CD2 3.76Å; I537-L542 HydrophobicContact CG2-CB 4.22Å; P538-L542 PolarHBondContact O-N 3.31Å; P538-L542 VanDerWaalsContact O-N 3.07Å; Q539-L542 PolarHBondContact O-N 2.9Å; E540-L542 PolarHBondContact O-N 3.31Å; L542-F545 PolarHBondContact O-N 3.42Å; L542-M546 HydrophobicContact CD1-CG 4.3Å; L542-M546 WeakPolarHBondContact O-CG 3.41Å; L542-M546 PolarHBondContact O-N 2.68Å; L542-I646 HydrophobicContact CD1-CG2 4.22Å
543	V	97.2	Very high	97.1	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-63.5	-46.6	177.3	173.6	0	0	0	0	110.1	I464 I467 L468 L490 I523 Q539 E540 F545 M546 Y547	I464-V543 HydrophobicContact CG1-CG1 3.98Å; I467-V543 HydrophobicContact CB-CG1 3.89Å; I467-V543 HydrophobicContact CD1-CG1 3.99Å; I467-V543 HydrophobicContact CG1-CG1 4.49Å; I467-V543 HydrophobicContact CG2-CG1 3.87Å; I467-V543 HydrophobicContact CG2-CG2 4.31Å; L468-V543 HydrophobicContact CD1-CB 4.08Å; L468-V543 HydrophobicContact CD1-CG1 4.29Å; L468-V543 HydrophobicContact CD1-CG2 3.97Å; L468-V543 HydrophobicContact CD2-CG2 4.36Å; L468-V543 HydrophobicContact CG-CB 4.44Å; L468-V543 HydrophobicContact CG-CG1 4.27Å; L468-V543 HydrophobicContact CG-CG2 4.06Å; L490-V543 HydrophobicContact CD1-CG2 4.34Å; L490-V543 HydrophobicContact CD2-CG2 4.2Å; I523-V543 HydrophobicContact CD1-CB 4.32Å; I523-V543 HydrophobicContact CD1-CG1 4.3Å; I523-V543 HydrophobicContact CD1-CG2 3.91Å; Q539-V543 VanDerWaalsContact O-CG2 3.29Å; Q539-V543 WeakPolarHBondContact O-CG2 3.35Å; Q539-V543 PolarHBondContact O-N 3.46Å; E540-V543 PolarHBondContact O-N 2.84Å; V543-F545 VanDerWaalsContact C-N 3.35Å; V543-F545 PolarHBondContact O-N 2.99Å; V543-M546 PolarHBondContact O-N 3.23Å; V543-Y547 WeakPolarHBondContact O-CB 3.29Å; V543-Y547 PolarHBondContact O-N 2.94Å
544	R	97.6	Very high	97.2	Very high	9 Å²	9	29.2 Å²	29.2	3%	0.034	13%	0.132	C	C	.	.	H	α-helix	trans	-63.1	-41.6	179.8	-162.1	-179.6	-70.6	-90.9	7.8	111.5	C459 N461 I464 E540 V541 S548 L644	C459-R544 HydrophobicContact CB-CG 3.92Å; C459-R544 PolarHBondContact O-NH1 3.11Å; N461-R544 PolarHBondContact OD1-NH1 3.02Å; N461-R544 PolarHBondContact OD1-NH2 2.87Å; I464-R544 HydrophobicContact CD1-CB 4.11Å; E540-R544 VanDerWaalsContact O-CB 3.27Å; E540-R544 WeakPolarHBondContact O-CB 3.43Å; E540-R544 PolarHBondContact O-N 3.42Å; E540-R544 IonicContact OE1-CZ 3.73Å; E540-R544 IonicContact OE1-NE 2.7Å; E540-R544 PolarHBondContact OE1-NE 3.36Å; E540-R544 IonicContact OE1-NH2 2.79Å; E540-R544 PolarHBondContact OE1-NH2 2.92Å; V541-R544 PolarHBondContact O-N 3Å; R544-S548 VanDerWaalsContact O-CB 3.26Å; R544-S548 WeakPolarHBondContact O-CB 3.5Å; R544-S548 PolarHBondContact O-N 3.09Å; R544-S548 PolarHBondContact O-OG 3.23Å; R544-L644 HydrophobicContact CB-CD2 4.19Å; R544-L644 HydrophobicContact CG-CD2 3.66Å
545	F	98.4	Very high	97.2	Very high	1 Å²	1	33.3 Å²	33.3	0%	0.004	15%	0.15	C	C	.	.	H	α-helix	trans	-58.3	-57.3	174.1	172	-103.2	0	0	0	111.3	V541 L542 V543 Y547 S548 V549 T594 L598 L639 I646	V541-F545 WeakPolarHBondContact O-CB 3.45Å; V541-F545 PolarHBondContact O-N 3.17Å; L542-F545 PolarHBondContact O-N 3.42Å; V543-F545 VanDerWaalsContact C-N 3.35Å; V543-F545 PolarHBondContact O-N 2.99Å; F545-Y547 VanDerWaalsContact C-N 3.3Å; F545-Y547 PolarHBondContact O-N 3.25Å; F545-S548 PolarHBondContact O-N 2.89Å; F545-S548 VanDerWaalsContact O-N 3.1Å; F545-V549 HydrophobicContact CD1-CG2 4.47Å; F545-V549 HydrophobicContact CD2-CG2 4.12Å; F545-V549 HydrophobicContact CE1-CG2 4.07Å; F545-V549 HydrophobicContact CE2-CG2 3.66Å; F545-V549 HydrophobicContact CG-CG2 4.49Å; F545-V549 HydrophobicContact CZ-CG2 3.63Å; F545-V549 WeakPolarHBondContact O-CG2 3.34Å; F545-V549 PolarHBondContact O-N 3.04Å; F545-T594 HydrophobicContact CE1-CG2 4.18Å; F545-T594 HydrophobicContact CZ-CG2 3.74Å; F545-L598 HydrophobicContact CZ-CD1 4.34Å; F545-L598 HydrophobicContact CZ-CD2 4.32Å; F545-L598 HydrophobicContact CZ-CG 4.43Å; F545-L639 HydrophobicContact CD2-CD2 4.02Å; F545-L639 HydrophobicContact CE2-CD2 3.69Å; F545-L639 HydrophobicContact CE2-CG 4.25Å; F545-L639 HydrophobicContact CZ-CD2 4.47Å; F545-I646 HydrophobicContact CB-CG2 3.84Å; F545-I646 HydrophobicContact CD1-CD1 4.27Å; F545-I646 HydrophobicContact CD1-CG2 4.14Å; F545-I646 HydrophobicContact CE1-CD1 4.16Å; F545-I646 HydrophobicContact CG-CG2 3.96Å
546	M	98.1	Very high	97.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-61.6	-37.7	-176.2	-71.9	-57.1	-59.4	0	0	112.9	V519 I523 Y526 L542 V543 S550 W561 F597	V519-M546 HydrophobicContact CG1-CB 4.07Å; I523-M546 HydrophobicContact CG1-CB 3.95Å; I523-M546 HydrophobicContact CG1-CG 3.9Å; Y526-M546 HydrophobicContact CE2-SD 3.85Å; L542-M546 HydrophobicContact CD1-CG 4.3Å; L542-M546 WeakPolarHBondContact O-CG 3.41Å; L542-M546 PolarHBondContact O-N 2.68Å; V543-M546 PolarHBondContact O-N 3.23Å; M546-S550 PolarHBondContact O-N 3.29Å; M546-S550 VanDerWaalsContact O-N 3.12Å; M546-W561 HydrophobicContact CE-CH2 3.86Å; M546-W561 HydrophobicContact CE-CZ2 4.41Å; M546-F597 HydrophobicContact CE-CD1 4.16Å; M546-F597 HydrophobicContact CE-CD2 3.85Å; M546-F597 HydrophobicContact CE-CE1 4.11Å; M546-F597 HydrophobicContact CE-CE2 3.78Å; M546-F597 HydrophobicContact CE-CG 4.04Å; M546-F597 HydrophobicContact CE-CZ 3.92Å; M546-F597 HydrophobicContact SD-CD2 4.1Å; M546-F597 HydrophobicContact SD-CE2 4.28Å
547	Y	97.8	Very high	97	Very high	34 Å²	34	29.7 Å²	29.7	13%	0.133	14%	0.138	C	C	.	.	H	α-helix	trans	-69.3	-43.2	175.4	-153.3	-29.6	0	0	0	111	C459 E463 N466 I467 L516 V543 F545 V549 S550 K551	C459-Y547 HydrophobicContact CB-CG 4.18Å; E463-Y547 HydrophobicContact CB-CE2 4.32Å; E463-Y547 WeakPolarHBondContact O-CE2 3.46Å; N466-Y547 HydrophobicContact CB-CE2 4.37Å; N466-Y547 PolarHBondContact ND2-OH 3.48Å; I467-Y547 HydrophobicContact CD1-CD2 3.9Å; I467-Y547 HydrophobicContact CD1-CE2 4.34Å; L516-Y547 HydrophobicContact CD1-CE2 3.97Å; V543-Y547 WeakPolarHBondContact O-CB 3.29Å; V543-Y547 PolarHBondContact O-N 2.94Å; F545-Y547 VanDerWaalsContact C-N 3.3Å; F545-Y547 PolarHBondContact O-N 3.25Å; Y547-V549 VanDerWaalsContact C-N 3.33Å; Y547-V549 PolarHBondContact O-N 3.38Å; Y547-S550 WeakPolarHBondContact O-CB 3.49Å; Y547-S550 PolarHBondContact O-N 3.34Å; Y547-K551 HydrophobicContact CD1-CD 4.21Å; Y547-K551 HydrophobicContact CD1-CG 4.18Å; Y547-K551 HydrophobicContact CE1-CD 4.33Å; Y547-K551 HydrophobicContact CE1-CG 4.33Å; Y547-K551 PolarHBondContact O-N 3.18Å
548	S	98.1	Very high	97	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-63	-39.5	177.5	-54.9	0	0	0	0	112	C459 R544 F545 K551 G552 L644	C459-S548 WeakPolarHBondContact CB-OG 2.95Å; C459-S548 PolarHBondContact N-OG 3.33Å; R544-S548 VanDerWaalsContact O-CB 3.26Å; R544-S548 WeakPolarHBondContact O-CB 3.5Å; R544-S548 PolarHBondContact O-N 3.09Å; R544-S548 PolarHBondContact O-OG 3.23Å; F545-S548 PolarHBondContact O-N 2.89Å; F545-S548 VanDerWaalsContact O-N 3.1Å; S548-K551 PolarHBondContact O-N 2.91Å; S548-G552 PolarHBondContact O-N 3.25Å; S548-L644 WeakPolarHBondContact OG-CD2 3.46Å
549	V	98.2	Very high	97.1	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-59.5	-48.5	173.1	172.8	0	0	0	0	110.2	F545 Y547 K551 G552 Y553 W561 F597 L598 I601	F545-V549 HydrophobicContact CD1-CG2 4.47Å; F545-V549 HydrophobicContact CD2-CG2 4.12Å; F545-V549 HydrophobicContact CE1-CG2 4.07Å; F545-V549 HydrophobicContact CE2-CG2 3.66Å; F545-V549 HydrophobicContact CG-CG2 4.49Å; F545-V549 HydrophobicContact CZ-CG2 3.63Å; F545-V549 WeakPolarHBondContact O-CG2 3.34Å; F545-V549 PolarHBondContact O-N 3.04Å; Y547-V549 VanDerWaalsContact C-N 3.33Å; Y547-V549 PolarHBondContact O-N 3.38Å; V549-K551 VanDerWaalsContact C-N 3.31Å; V549-K551 PolarHBondContact O-N 2.88Å; V549-G552 PolarHBondContact O-N 3.27Å; V549-Y553 HydrophobicContact CG1-CD2 4.35Å; V549-Y553 HydrophobicContact CG1-CE2 3.89Å; V549-Y553 VanDerWaalsContact O-CD2 3.3Å; V549-Y553 WeakPolarHBondContact O-CD2 3.2Å; V549-Y553 PolarHBondContact O-N 3.1Å; V549-W561 HydrophobicContact CG1-CE3 4.43Å; V549-W561 HydrophobicContact CG1-CH2 4.4Å; V549-W561 HydrophobicContact CG1-CZ3 3.73Å; V549-F597 HydrophobicContact CG1-CB 4.41Å; V549-L598 HydrophobicContact CG1-CD2 4.14Å; V549-L598 HydrophobicContact CG2-CD2 3.66Å; V549-I601 HydrophobicContact CG1-CD1 4.37Å
550	S	97.8	Very high	97.2	Very high	14 Å²	14	32.8 Å²	32.8	10%	0.098	15%	0.15	C	C	.	.	H	α-helix	trans	-55.1	-44.2	176.1	179.7	0	0	0	0	112.7	M546 Y547 G552 Y553 W561	M546-S550 PolarHBondContact O-N 3.29Å; M546-S550 VanDerWaalsContact O-N 3.12Å; Y547-S550 WeakPolarHBondContact O-CB 3.49Å; Y547-S550 PolarHBondContact O-N 3.34Å; S550-G552 VanDerWaalsContact C-N 3.33Å; S550-G552 PolarHBondContact O-N 3.13Å; S550-Y553 PolarHBondContact O-N 3.21Å; S550-W561 PolarHBondContact OG-NE1 3.49Å
551	K	96.6	Very high	97.3	Very high	62 Å²	62	31.5 Å²	31.5	27%	0.27	14%	0.144	S	C	.	.	H	α-helix	trans	-68.3	-28.4	175.6	-72.2	179.2	65.2	-178.9	0	113.8	H456 V457 K458 E463 Y547 S548 V549 Y553	H456-K551 WeakPolarHBondContact O-CE 3.33Å; H456-K551 PolarHBondContact O-NZ 2.89Å; V457-K551 WeakPolarHBondContact O-CB 3.31Å; K458-K551 PolarHBondContact O-NZ 3.08Å; E463-K551 VanDerWaalsContact CD-NZ 3.32Å; E463-K551 IonicContact OE1-NZ 3.25Å; E463-K551 PolarHBondContact OE1-NZ 3.29Å; E463-K551 IonicContact OE2-NZ 2.69Å; E463-K551 PolarHBondContact OE2-NZ 3Å; Y547-K551 HydrophobicContact CD1-CD 4.21Å; Y547-K551 HydrophobicContact CD1-CG 4.18Å; Y547-K551 HydrophobicContact CE1-CD 4.33Å; Y547-K551 HydrophobicContact CE1-CG 4.33Å; Y547-K551 PolarHBondContact O-N 3.18Å; S548-K551 PolarHBondContact O-N 2.91Å; V549-K551 VanDerWaalsContact C-N 3.31Å; V549-K551 PolarHBondContact O-N 2.88Å; K551-Y553 VanDerWaalsContact C-N 3.29Å
552	G	96.6	Very high	97.4	Very high	5 Å²	5	33.7 Å²	33.7	5%	0.052	15%	0.151	C	C	.	.	H	α-helix	trans	-72	-20.1	178.4	0	0	0	0	0	113.7	S548 V549 S550 D602	S548-G552 PolarHBondContact O-N 3.25Å; V549-G552 PolarHBondContact O-N 3.27Å; S550-G552 VanDerWaalsContact C-N 3.33Å; S550-G552 PolarHBondContact O-N 3.13Å; G552-D602 PolarHBondContact O-N 2.83Å
553	Y	98.3	Very high	97.4	Very high	12 Å²	12	34.2 Å²	34.2	5%	0.047	15%	0.153	C	C	.	.	S	Bend	trans	-74.2	139.8	170.3	-81.6	-92.8	0	0	0	111.5	V549 S550 K551 N560 W561 F597 D600 I601	V549-Y553 HydrophobicContact CG1-CD2 4.35Å; V549-Y553 HydrophobicContact CG1-CE2 3.89Å; V549-Y553 VanDerWaalsContact O-CD2 3.3Å; V549-Y553 WeakPolarHBondContact O-CD2 3.2Å; V549-Y553 PolarHBondContact O-N 3.1Å; S550-Y553 PolarHBondContact O-N 3.21Å; K551-Y553 VanDerWaalsContact C-N 3.29Å; Y553-N560 VanDerWaalsContact CD1-C 3.49Å; Y553-W561 AromaticContact CD2-CE3 3.65Å; Y553-W561 HydrophobicContact CD2-CE3 3.65Å; Y553-W561 HydrophobicContact CD2-CZ3 4.35Å; Y553-W561 AromaticContact CE2-CE3 3.79Å; Y553-W561 HydrophobicContact CE2-CE3 3.79Å; Y553-W561 HydrophobicContact CE2-CZ3 4.1Å; Y553-W561 HydrophobicContact CG-CB 4.33Å; Y553-W561 HydrophobicContact CG-CE3 4.46Å; Y553-F597 VanDerWaalsContact CE2-O 3.23Å; Y553-F597 WeakPolarHBondContact CE2-O 3.3Å; Y553-F597 PolarHBondContact OH-O 2.65Å; Y553-D600 VanDerWaalsContact CE1-C 3.43Å; Y553-D600 HydrophobicContact CE1-CB 3.88Å; Y553-D600 VanDerWaalsContact CE1-O 3.29Å; Y553-D600 WeakPolarHBondContact CE1-O 3.45Å; Y553-I601 HydrophobicContact CD2-CG1 4.35Å; Y553-I601 HydrophobicContact CE2-CB 4.21Å; Y553-I601 HydrophobicContact CE2-CG1 4.31Å
554	R	96.9	Very high	97.4	Very high	101 Å²	101	34.2 Å²	34.2	38%	0.381	15%	0.153	S	C	.	.			trans	-78.1	153.2	179.2	-60.4	-163.1	178.7	-123.5	-7.8	111.7	I556 N560 D602 H603	R554-I556 VanDerWaalsContact C-N 3.26Å; R554-I556 HydrophobicContact CB-CG1 4.39Å; R554-I556 HydrophobicContact CB-CG2 4.18Å; R554-I556 PolarHBondContact O-N 3.27Å; R554-N560 VanDerWaalsContact O-CB 3.3Å; R554-N560 WeakPolarHBondContact O-CB 3.5Å; R554-D602 IonicContact CZ-OD1 3.36Å; R554-D602 IonicContact NE-OD1 2.78Å; R554-D602 PolarHBondContact NE-OD1 3.26Å; R554-D602 IonicContact NH2-OD1 3.95Å; R554-D602 PolarHBondContact NH2-OD1 3.49Å; R554-D602 IonicContact NH2-OD2 3.47Å; R554-H603 VanDerWaalsContact CD-O 3.23Å; R554-H603 WeakPolarHBondContact CD-O 3.3Å
555	K	96.1	Very high	97.4	Very high	210 Å²	210	33.8 Å²	33.8	91%	0.913	15%	0.152	S	C	*	.			trans	-82	71.6	172.8	-62.8	-175.4	-179.7	-177.7	0	110.5
556	I	95.8	Very high	97.4	Very high	45 Å²	45	34.9 Å²	34.9	23%	0.231	16%	0.158	C	C	.	.			trans	-118.2	172	177	59.3	-179.5	0	0	0	111.3	R554 H559 N560 H603 E741	R554-I556 VanDerWaalsContact C-N 3.26Å; R554-I556 HydrophobicContact CB-CG1 4.39Å; R554-I556 HydrophobicContact CB-CG2 4.18Å; R554-I556 PolarHBondContact O-N 3.27Å; I556-H559 HydrophobicContact CD1-CB 3.94Å; I556-H559 WeakPolarHBondContact CD1-O 3.46Å; I556-H559 VanDerWaalsContact CG1-O 3.32Å; I556-H559 WeakPolarHBondContact CG1-O 3.39Å; I556-N560 PolarHBondContact O-ND2 2.94Å; I556-H603 WeakPolarHBondContact CD1-O 3.34Å; I556-E741 WeakPolarHBondContact CD1-OE1 3.3Å
557	T	95.3	Very high	97.4	Very high	49 Å²	49	34.9 Å²	34.9	30%	0.301	16%	0.158	S	C	.	.	S	Bend	trans	-62.6	-48.6	-167.4	40.1	0	0	0	0	113.8	N560 E741	T557-N560 PolarHBondContact O-ND2 2.84Å; T557-E741 VanDerWaalsContact OG1-CB 3.26Å; T557-E741 WeakPolarHBondContact OG1-CB 3.5Å; T557-E741 WeakPolarHBondContact OG1-CG 3.36Å
558	Y	96.9	Very high	97.4	Very high	35 Å²	35	33.3 Å²	33.3	14%	0.137	15%	0.151	C	C	.	.	S	Bend	trans	-120.8	-53.4	-179.5	173.4	-100.6	0	0	0	114.4	N560 H563 V734 V738 E741	Y558-N560 PolarHBondContact O-N 3.28Å; Y558-H563 AromaticContact CE1-ND1 3.9Å; Y558-H563 AromaticContact CZ-CE1 3.97Å; Y558-H563 AromaticContact CZ-ND1 3.48Å; Y558-H563 WeakPolarHBondContact O-CB 3.23Å; Y558-H563 PolarHBondContact OH-CE1 2.9Å; Y558-H563 PolarHBondContact OH-ND1 3.14Å; Y558-H563 VanDerWaalsContact OH-ND1 3.13Å; Y558-V734 HydrophobicContact CD2-CG1 3.98Å; Y558-V734 HydrophobicContact CE2-CG1 3.46Å; Y558-V734 VanDerWaalsContact CE2-CG1 3.46Å; Y558-V738 HydrophobicContact CD1-CG2 3.73Å; Y558-V738 HydrophobicContact CD2-CG2 3.41Å; Y558-V738 VanDerWaalsContact CD2-CG2 3.41Å; Y558-V738 HydrophobicContact CE1-CG2 3.86Å; Y558-V738 HydrophobicContact CE2-CG2 3.54Å; Y558-V738 HydrophobicContact CG-CG2 3.5Å; Y558-V738 VanDerWaalsContact CG-CG2 3.5Å; Y558-E741 WeakPolarHBondContact CB-OE2 3.35Å
559	H	98	Very high	97.4	Very high	37 Å²	37	33.3 Å²	33.3	17%	0.171	15%	0.151	C	C	.	.	S	Bend	trans	-75.3	63.5	-177.9	-56.5	92.3	0	0	0	112.6	I556 D600 H603 E741	I556-H559 HydrophobicContact CD1-CB 3.94Å; I556-H559 WeakPolarHBondContact CD1-O 3.46Å; I556-H559 VanDerWaalsContact CG1-O 3.32Å; I556-H559 WeakPolarHBondContact CG1-O 3.39Å; H559-D600 IonicContact CD2-OD2 3.43Å; H559-D600 PolarHBondContact CD2-OD2 3.18Å; H559-D600 VanDerWaalsContact CD2-OD2 3.32Å; H559-H603 HydrophobicContact CB-CB 3.82Å; H559-H603 WeakPolarHBondContact CB-ND1 3.43Å; H559-H603 AromaticContact CE1-CE1 3.88Å; H559-H603 AromaticContact CG-CE1 3.72Å; H559-H603 AromaticContact CG-CG 3.91Å; H559-H603 AromaticContact CG-ND1 3.43Å; H559-H603 AromaticContact ND1-CE1 3.51Å; H559-H603 AromaticContact ND1-ND1 3.54Å; H559-E741 IonicContact CE1-OE2 3.82Å; H559-E741 PolarHBondContact CE1-OE2 2.86Å; H559-E741 IonicContact CG-OE1 3.2Å; H559-E741 IonicContact CG-OE2 2.84Å; H559-E741 IonicContact ND1-OE1 3.47Å; H559-E741 PolarHBondContact ND1-OE1 3.48Å; H559-E741 IonicContact ND1-OE2 2.65Å; H559-E741 PolarHBondContact ND1-OE2 3.39Å
560	N	97.4	Very high	97.4	Very high	29 Å²	29	33.3 Å²	33.3	16%	0.155	15%	0.152	C	C	.	.	S	Bend	trans	-120.2	-175.2	-179.9	63.8	45.8	0	0	0	111.1	Y553 R554 I556 T557 Y558 R562 H563 G564	Y553-N560 VanDerWaalsContact CD1-C 3.49Å; R554-N560 VanDerWaalsContact O-CB 3.3Å; R554-N560 WeakPolarHBondContact O-CB 3.5Å; I556-N560 PolarHBondContact O-ND2 2.94Å; T557-N560 PolarHBondContact O-ND2 2.84Å; Y558-N560 PolarHBondContact O-N 3.28Å; N560-R562 PolarHBondContact O-N 2.9Å; N560-R562 VanDerWaalsContact O-N 3.11Å; N560-R562 WeakPolarHBondContact OD1-CB 3.38Å; N560-R562 PolarHBondContact OD1-N 3.46Å; N560-H563 WeakPolarHBondContact O-CB 3.44Å; N560-H563 PolarHBondContact O-N 3.16Å; N560-G564 PolarHBondContact O-N 3.27Å
561	W	98	Very high	97.5	Very high	5 Å²	5	32.7 Å²	32.7	2%	0.019	15%	0.147	C	C	.	.	H	α-helix	trans	-55.7	-32.5	-176.5	174.6	-127.9	0	0	0	113.8	V519 M546 V549 S550 Y553 H563 G564 F565 F597	V519-W561 HydrophobicContact CG2-CZ2 4.1Å; M546-W561 HydrophobicContact CE-CH2 3.86Å; M546-W561 HydrophobicContact CE-CZ2 4.41Å; V549-W561 HydrophobicContact CG1-CE3 4.43Å; V549-W561 HydrophobicContact CG1-CH2 4.4Å; V549-W561 HydrophobicContact CG1-CZ3 3.73Å; S550-W561 PolarHBondContact OG-NE1 3.49Å; Y553-W561 AromaticContact CD2-CE3 3.65Å; Y553-W561 HydrophobicContact CD2-CE3 3.65Å; Y553-W561 HydrophobicContact CD2-CZ3 4.35Å; Y553-W561 AromaticContact CE2-CE3 3.79Å; Y553-W561 HydrophobicContact CE2-CE3 3.79Å; Y553-W561 HydrophobicContact CE2-CZ3 4.1Å; Y553-W561 HydrophobicContact CG-CB 4.33Å; Y553-W561 HydrophobicContact CG-CE3 4.46Å; W561-H563 VanDerWaalsContact C-N 3.35Å; W561-H563 PolarHBondContact O-N 3.27Å; W561-G564 PolarHBondContact O-N 3.1Å; W561-F565 HydrophobicContact CD2-CB 4.48Å; W561-F565 HydrophobicContact CH2-CB 4.45Å; W561-F565 HydrophobicContact CZ2-CB 4.23Å; W561-F565 HydrophobicContact CZ2-CD2 4.11Å; W561-F565 VanDerWaalsContact O-CB 3.31Å; W561-F565 WeakPolarHBondContact O-CB 3.4Å; W561-F565 PolarHBondContact O-N 3.39Å; W561-F597 AromaticContact CH2-CD1 3.92Å; W561-F597 HydrophobicContact CH2-CD1 3.92Å; W561-F597 HydrophobicContact CH2-CE1 4.37Å; W561-F597 HydrophobicContact CZ3-CD1 4.18Å
562	R	97.4	Very high	97.5	Very high	60 Å²	60	29.7 Å²	29.7	23%	0.226	13%	0.134	C	C	.	.	H	α-helix	trans	-65.8	-39.1	178.4	-67.3	178.3	170.7	-81.7	-2.1	112	D510 C513 L518 N560 N566	D510-R562 PolarHBondContact O-NH1 3.32Å; D510-R562 WeakPolarHBondContact OD2-CB 2.81Å; D510-R562 VanDerWaalsContact OD2-CD 3.26Å; D510-R562 WeakPolarHBondContact OD2-CD 3.31Å; D510-R562 WeakPolarHBondContact OD2-CG 3.37Å; D510-R562 IonicContact OD2-CZ 3.43Å; D510-R562 IonicContact OD2-NE 3.57Å; D510-R562 IonicContact OD2-NH1 3.68Å; D510-R562 PolarHBondContact OD2-NH1 3.49Å; C513-R562 PolarHBondContact O-NH1 3.49Å; C513-R562 PolarHBondContact O-NH2 3.04Å; L518-R562 HydrophobicContact CD1-CG 4.09Å; N560-R562 PolarHBondContact O-N 2.9Å; N560-R562 VanDerWaalsContact O-N 3.11Å; N560-R562 WeakPolarHBondContact OD1-CB 3.38Å; N560-R562 PolarHBondContact OD1-N 3.46Å; R562-N566 WeakPolarHBondContact O-CB 3.4Å; R562-N566 PolarHBondContact O-N 2.85Å; R562-N566 PolarHBondContact O-ND2 3.04Å
563	H	97.9	Very high	97.6	Very high	11 Å²	11	29.5 Å²	29.5	5%	0.051	13%	0.132	C	C	.	.	H	α-helix	trans	-64.3	-53.9	173.6	173.4	64.7	0	0	0	110.3	Y558 N560 W561 F565 N566 V567 H599 D600 D720	Y558-H563 AromaticContact CE1-ND1 3.9Å; Y558-H563 AromaticContact CZ-CE1 3.97Å; Y558-H563 AromaticContact CZ-ND1 3.48Å; Y558-H563 WeakPolarHBondContact O-CB 3.23Å; Y558-H563 PolarHBondContact OH-CE1 2.9Å; Y558-H563 PolarHBondContact OH-ND1 3.14Å; Y558-H563 VanDerWaalsContact OH-ND1 3.13Å; N560-H563 WeakPolarHBondContact O-CB 3.44Å; N560-H563 PolarHBondContact O-N 3.16Å; W561-H563 VanDerWaalsContact C-N 3.35Å; W561-H563 PolarHBondContact O-N 3.27Å; H563-F565 VanDerWaalsContact C-N 3.27Å; H563-F565 PolarHBondContact O-N 3.47Å; H563-N566 PolarHBondContact O-N 3.42Å; H563-V567 VanDerWaalsContact CE1-CG2 3.5Å; H563-V567 WeakPolarHBondContact CE1-CG2 3.37Å; H563-V567 WeakPolarHBondContact O-CG2 3.29Å; H563-V567 PolarHBondContact O-N 3.49Å; H563-H599 AromaticContact CD2-CE1 3.93Å; H563-H599 AromaticContact CD2-NE2 3.92Å; H563-H599 AromaticContact NE2-CE1 3.54Å; H563-H599 AromaticContact NE2-NE2 3.2Å; H563-H599 PolarHBondContact NE2-NE2 3.36Å; H563-D600 IonicContact CD2-OD2 2.83Å; H563-D600 PolarHBondContact CD2-OD2 3.41Å; H563-D600 VanDerWaalsContact CD2-OD2 3.27Å; H563-D600 IonicContact NE2-OD2 3.58Å; H563-D600 PolarHBondContact NE2-OD2 2.99Å; H563-D600 VanDerWaalsContact NE2-OD2 3.16Å; H563-D720 IonicContact CE1-OD1 3.09Å; H563-D720 PolarHBondContact CE1-OD1 3.47Å; H563-D720 IonicContact NE2-OD1 3.77Å
564	G	97.9	Very high	97.6	Very high	0 Å²	0	29 Å²	29	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-54.4	-41.1	177.9	0	0	0	0	0	113.4	N560 W561 G568	N560-G564 PolarHBondContact O-N 3.27Å; W561-G564 PolarHBondContact O-N 3.1Å; G564-G568 PolarHBondContact O-N 3.37Å; G564-G568 VanDerWaalsContact O-N 3.11Å
565	F	98.4	Very high	97.6	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-65.3	-47.4	174.8	178.7	-90.6	0	0	0	112.8	F508 L518 C521 M525 W561 H563 V567 G568 Q569 F597	F508-F565 HydrophobicContact CE1-CD1 4.21Å; F508-F565 AromaticContact CE1-CE1 3.7Å; F508-F565 HydrophobicContact CE1-CE1 3.7Å; F508-F565 HydrophobicContact CZ-CD1 4.48Å; F508-F565 AromaticContact CZ-CE1 3.7Å; F508-F565 HydrophobicContact CZ-CE1 3.7Å; L518-F565 HydrophobicContact CB-CD1 4.26Å; L518-F565 HydrophobicContact CB-CD2 3.9Å; L518-F565 HydrophobicContact CB-CE2 4.18Å; L518-F565 HydrophobicContact CB-CG 3.94Å; L518-F565 HydrophobicContact CB-CZ 4.47Å; L518-F565 HydrophobicContact CD1-CB 4.42Å; L518-F565 HydrophobicContact CD1-CD1 4.25Å; L518-F565 HydrophobicContact CD1-CG 4.31Å; L518-F565 HydrophobicContact CD2-CD1 3.74Å; L518-F565 HydrophobicContact CD2-CE1 3.65Å; L518-F565 HydrophobicContact CD2-CG 4.3Å; L518-F565 HydrophobicContact CD2-CZ 4.12Å; L518-F565 HydrophobicContact CG-CD1 4.29Å; L518-F565 HydrophobicContact CG-CG 4.4Å; L518-F565 WeakPolarHBondContact O-CD2 3.38Å; L518-F565 WeakPolarHBondContact O-CE2 3.3Å; C521-F565 HydrophobicContact CB-CE2 3.91Å; C521-F565 HydrophobicContact CB-CZ 3.63Å; M525-F565 HydrophobicContact CE-CE1 4.34Å; M525-F565 HydrophobicContact CE-CE2 3.86Å; M525-F565 HydrophobicContact CE-CZ 3.51Å; W561-F565 HydrophobicContact CD2-CB 4.48Å; W561-F565 HydrophobicContact CH2-CB 4.45Å; W561-F565 HydrophobicContact CZ2-CB 4.23Å; W561-F565 HydrophobicContact CZ2-CD2 4.11Å; W561-F565 VanDerWaalsContact O-CB 3.31Å; W561-F565 WeakPolarHBondContact O-CB 3.4Å; W561-F565 PolarHBondContact O-N 3.39Å; H563-F565 VanDerWaalsContact C-N 3.27Å; H563-F565 PolarHBondContact O-N 3.47Å; F565-V567 VanDerWaalsContact C-N 3.26Å; F565-V567 PolarHBondContact O-N 3.01Å; F565-G568 PolarHBondContact O-N 3.36Å; F565-Q569 HydrophobicContact CD1-CB 4.47Å; F565-Q569 HydrophobicContact CE1-CB 4.05Å; F565-Q569 HydrophobicContact CE1-CG 4.38Å; F565-Q569 HydrophobicContact CZ-CB 4.44Å; F565-Q569 WeakPolarHBondContact O-CB 3.33Å; F565-Q569 PolarHBondContact O-N 3.17Å; F565-F597 AromaticContact CD2-CE1 3.87Å; F565-F597 HydrophobicContact CD2-CE1 3.87Å; F565-F597 HydrophobicContact CE2-CE1 4.38Å
566	N	98	Very high	97.6	Very high	23 Å²	23	15.7 Å²	15.7	12%	0.123	8%	0.078	C	C	.	.	H	α-helix	trans	-62.4	-33.8	-179.8	-86.5	-65.9	0	0	0	112.3	F508 D510 R562 H563 T570	F508-N566 WeakPolarHBondContact CD1-OD1 3.27Å; F508-N566 WeakPolarHBondContact CE1-OD1 3.45Å; D510-N566 VanDerWaalsContact CG-ND2 3.26Å; D510-N566 PolarHBondContact OD1-ND2 3.3Å; R562-N566 WeakPolarHBondContact O-CB 3.4Å; R562-N566 PolarHBondContact O-N 2.85Å; R562-N566 PolarHBondContact O-ND2 3.04Å; H563-N566 PolarHBondContact O-N 3.42Å; N566-T570 WeakPolarHBondContact O-CB 3.26Å; N566-T570 PolarHBondContact O-N 2.96Å; N566-T570 PolarHBondContact O-OG1 2.85Å
567	V	98.5	Very high	97.6	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.006	8%	0.08	C	C	.	.	H	α-helix	trans	-66.8	-48.6	173.5	175.9	0	0	0	0	110.6	H563 F565 Q569 T570 M571 M716 C719	H563-V567 VanDerWaalsContact CE1-CG2 3.5Å; H563-V567 WeakPolarHBondContact CE1-CG2 3.37Å; H563-V567 WeakPolarHBondContact O-CG2 3.29Å; H563-V567 PolarHBondContact O-N 3.49Å; F565-V567 VanDerWaalsContact C-N 3.26Å; F565-V567 PolarHBondContact O-N 3.01Å; V567-Q569 VanDerWaalsContact C-N 3.34Å; V567-Q569 PolarHBondContact O-N 2.96Å; V567-T570 PolarHBondContact O-N 3.03Å; V567-M571 PolarHBondContact O-N 3.43Å; V567-M716 HydrophobicContact CG1-SD 4.25Å; V567-C719 HydrophobicContact CG1-CB 3.82Å
568	G	98	Very high	97.6	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-59.2	-42	173.8	0	0	0	0	0	113.2	G564 F565 M571 F572	G564-G568 PolarHBondContact O-N 3.37Å; G564-G568 VanDerWaalsContact O-N 3.11Å; F565-G568 PolarHBondContact O-N 3.36Å; G568-M571 WeakPolarHBondContact O-CB 3.42Å; G568-M571 PolarHBondContact O-N 2.81Å; G568-F572 PolarHBondContact O-N 3.09Å
569	Q	97.8	Very high	97.5	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-61.9	-45.3	175.2	-174.2	-87.9	-34.9	0	0	111.6	I503 E505 F508 M525 F565 V567 M571 F572 T573	I503-Q569 PolarHBondContact O-NE2 3.08Å; E505-Q569 PolarHBondContact O-NE2 2.75Å; F508-Q569 HydrophobicContact CD1-CG 4.03Å; F508-Q569 HydrophobicContact CE1-CG 4.44Å; F508-Q569 HydrophobicContact CG-CG 4.3Å; M525-Q569 HydrophobicContact CE-CB 3.67Å; M525-Q569 HydrophobicContact CE-CG 3.68Å; F565-Q569 HydrophobicContact CD1-CB 4.47Å; F565-Q569 HydrophobicContact CE1-CB 4.05Å; F565-Q569 HydrophobicContact CE1-CG 4.38Å; F565-Q569 HydrophobicContact CZ-CB 4.44Å; F565-Q569 WeakPolarHBondContact O-CB 3.33Å; F565-Q569 PolarHBondContact O-N 3.17Å; V567-Q569 VanDerWaalsContact C-N 3.34Å; V567-Q569 PolarHBondContact O-N 2.96Å; Q569-M571 VanDerWaalsContact C-N 3.33Å; Q569-M571 PolarHBondContact O-N 3.4Å; Q569-F572 WeakPolarHBondContact O-CB 3.26Å; Q569-F572 PolarHBondContact O-N 3.16Å; Q569-T573 PolarHBondContact NE2-OG1 3.27Å; Q569-T573 PolarHBondContact O-N 3.47Å; Q569-T573 PolarHBondContact O-OG1 2.88Å; Q569-T573 VanDerWaalsContact O-OG1 3.06Å
570	T	98.3	Very high	97.4	Very high	1 Å²	1	14.6 Å²	14.6	1%	0.006	7%	0.073	C	C	.	.	H	α-helix	trans	-66.2	-38.7	179	-58.1	0	0	0	0	111.3	N566 V567 F572 T573 L574 C719 S722 M798	N566-T570 WeakPolarHBondContact O-CB 3.26Å; N566-T570 PolarHBondContact O-N 2.96Å; N566-T570 PolarHBondContact O-OG1 2.85Å; V567-T570 PolarHBondContact O-N 3.03Å; T570-F572 VanDerWaalsContact C-N 3.35Å; T570-T573 PolarHBondContact O-N 2.87Å; T570-L574 HydrophobicContact CG2-CD1 4.27Å; T570-L574 HydrophobicContact CG2-CG 4.36Å; T570-L574 WeakPolarHBondContact O-CB 3.32Å; T570-L574 WeakPolarHBondContact O-CG 3.48Å; T570-L574 PolarHBondContact O-N 3.15Å; T570-C719 HydrophobicContact CG2-CB 4.31Å; T570-S722 PolarHBondContact OG1-OG 2.92Å; T570-S722 VanDerWaalsContact OG1-OG 3.13Å; T570-M798 HydrophobicContact CG2-CE 4.03Å
571	M	98.5	Very high	97.4	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-59	-47.4	173	-178.4	59.4	73.6	0	0	111	V567 G568 Q569 T573 L574 L575 M592 I593 M715 M716 C719	V567-M571 PolarHBondContact O-N 3.43Å; G568-M571 WeakPolarHBondContact O-CB 3.42Å; G568-M571 PolarHBondContact O-N 2.81Å; Q569-M571 VanDerWaalsContact C-N 3.33Å; Q569-M571 PolarHBondContact O-N 3.4Å; M571-T573 PolarHBondContact O-N 2.82Å; M571-L574 PolarHBondContact O-N 3.16Å; M571-L575 HydrophobicContact CG-CD1 4.06Å; M571-L575 WeakPolarHBondContact O-CB 3.42Å; M571-L575 VanDerWaalsContact O-CG 3.3Å; M571-L575 WeakPolarHBondContact O-CG 3.46Å; M571-L575 PolarHBondContact O-N 3.21Å; M571-L575 HydrophobicContact SD-CD1 4.11Å; M571-L575 HydrophobicContact SD-CG 4.38Å; M571-M592 HydrophobicContact CE-CB 4.5Å; M571-M592 HydrophobicContact CG-CB 4.22Å; M571-M592 HydrophobicContact SD-CB 4.07Å; M571-I593 HydrophobicContact CG-CG1 4.3Å; M571-M715 HydrophobicContact CE-CE 4.03Å; M571-M715 HydrophobicContact CE-CG 4.02Å; M571-M715 HydrophobicContact SD-CE 3.33Å; M571-M715 WeakPolarHBondContact SD-CE 3.42Å; M571-M715 HydrophobicContact SD-CG 3.9Å; M571-M715 HydrophobicContact SD-SD 3.79Å; M571-M716 HydrophobicContact CE-CB 4.34Å; M571-M716 HydrophobicContact CE-CE 3.75Å; M571-M716 HydrophobicContact CE-SD 3.97Å; M571-C719 WeakPolarHBondContact CA-SG 3.16Å; M571-C719 PolarHBondContact N-SG 3.42Å; M571-C719 VanDerWaalsContact N-SG 3.42Å
572	F	98.2	Very high	97.2	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-57.5	-46.9	174.6	169.2	-97	0	0	0	112.2	Y504 M525 E528 V529 G568 Q569 T570 L575 T576 I593	Y504-F572 AromaticContact CD1-CE1 3.83Å; Y504-F572 HydrophobicContact CD1-CE1 3.83Å; Y504-F572 HydrophobicContact CD1-CZ 4.11Å; Y504-F572 AromaticContact CE1-CE1 3.73Å; Y504-F572 HydrophobicContact CE1-CE1 3.73Å; Y504-F572 AromaticContact CE1-CZ 3.5Å; Y504-F572 HydrophobicContact CE1-CZ 3.5Å; Y504-F572 VanDerWaalsContact CE1-CZ 3.5Å; Y504-F572 HydrophobicContact CE2-CE1 4.44Å; Y504-F572 HydrophobicContact CE2-CZ 4.29Å; Y504-F572 HydrophobicContact CG-CE1 4.26Å; Y504-F572 AromaticContact CZ-CZ 3.61Å; M525-F572 HydrophobicContact CB-CD2 3.83Å; M525-F572 HydrophobicContact CB-CE2 4.16Å; M525-F572 HydrophobicContact CB-CG 4.2Å; M525-F572 HydrophobicContact CG-CB 4.28Å; M525-F572 HydrophobicContact CG-CD1 4.11Å; M525-F572 HydrophobicContact CG-CD2 3.96Å; M525-F572 HydrophobicContact CG-CE1 4.45Å; M525-F572 HydrophobicContact CG-CE2 4.3Å; M525-F572 HydrophobicContact CG-CG 3.85Å; M525-F572 HydrophobicContact SD-CB 3.91Å; M525-F572 HydrophobicContact SD-CD1 4.44Å; M525-F572 HydrophobicContact SD-CG 4.1Å; E528-F572 HydrophobicContact CB-CE2 3.74Å; E528-F572 HydrophobicContact CB-CZ 3.79Å; E528-F572 HydrophobicContact CG-CZ 4.24Å; V529-F572 HydrophobicContact CG1-CD2 3.84Å; V529-F572 HydrophobicContact CG1-CE2 3.79Å; G568-F572 PolarHBondContact O-N 3.09Å; Q569-F572 WeakPolarHBondContact O-CB 3.26Å; Q569-F572 PolarHBondContact O-N 3.16Å; T570-F572 VanDerWaalsContact C-N 3.35Å; F572-L575 PolarHBondContact O-N 3.03Å; F572-T576 HydrophobicContact CD2-CG2 4.21Å; F572-T576 HydrophobicContact CE2-CG2 3.85Å; F572-T576 HydrophobicContact CZ-CG2 4.08Å; F572-T576 WeakPolarHBondContact O-CB 3.28Å; F572-T576 WeakPolarHBondContact O-CG2 3.44Å; F572-T576 PolarHBondContact O-N 3.29Å; F572-T576 PolarHBondContact O-OG1 3.41Å; F572-I593 HydrophobicContact CB-CD1 4.48Å; F572-I593 HydrophobicContact CD2-CD1 4.27Å
573	T	97.8	Very high	97.1	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-66.6	-39.9	179.6	-55.9	0	0	0	0	112.7	I503 Y504 F506 Q569 T570 M571 L575 T576 T577 G578	I503-T573 PolarHBondContact O-OG1 3.4Å; Y504-T573 WeakPolarHBondContact O-CG2 3.28Å; F506-T573 HydrophobicContact CD1-CG2 3.58Å; F506-T573 HydrophobicContact CD2-CG2 4.22Å; F506-T573 HydrophobicContact CE1-CG2 3.46Å; F506-T573 VanDerWaalsContact CE1-CG2 3.46Å; F506-T573 HydrophobicContact CE2-CG2 4.11Å; F506-T573 HydrophobicContact CG-CG2 3.97Å; F506-T573 HydrophobicContact CZ-CG2 3.74Å; Q569-T573 PolarHBondContact NE2-OG1 3.27Å; Q569-T573 PolarHBondContact O-N 3.47Å; Q569-T573 PolarHBondContact O-OG1 2.88Å; Q569-T573 VanDerWaalsContact O-OG1 3.06Å; T570-T573 PolarHBondContact O-N 2.87Å; M571-T573 PolarHBondContact O-N 2.82Å; T573-L575 VanDerWaalsContact C-N 3.32Å; T573-L575 PolarHBondContact O-N 2.82Å; T573-T576 PolarHBondContact O-N 3.12Å; T573-T577 CarbonylContact O-C 3.44Å; T573-T577 WeakPolarHBondContact O-CA 3.25Å; T573-T577 WeakPolarHBondContact O-CB 3.37Å; T573-T577 PolarHBondContact O-N 2.79Å; T573-G578 PolarHBondContact O-N 2.74Å
574	L	98.1	Very high	97.1	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.005	8%	0.083	C	C	.	.	H	α-helix	trans	-63.1	-39.5	175.7	-79.1	178.8	0	0	0	112	F506 T570 M571 G578 L580 M715 C719 I795 M798	F506-L574 HydrophobicContact CE1-CD2 3.76Å; F506-L574 HydrophobicContact CE1-CG 4.15Å; F506-L574 HydrophobicContact CZ-CD2 4.04Å; T570-L574 HydrophobicContact CG2-CD1 4.27Å; T570-L574 HydrophobicContact CG2-CG 4.36Å; T570-L574 WeakPolarHBondContact O-CB 3.32Å; T570-L574 WeakPolarHBondContact O-CG 3.48Å; T570-L574 PolarHBondContact O-N 3.15Å; M571-L574 PolarHBondContact O-N 3.16Å; L574-G578 CarbonylContact O-C 3.52Å; L574-G578 VanDerWaalsContact O-C 3.3Å; L574-G578 WeakPolarHBondContact O-CA 3.14Å; L574-G578 PolarHBondContact O-N 2.98Å; L574-L580 HydrophobicContact CB-CD1 4.25Å; L574-L580 WeakPolarHBondContact O-CB 3.38Å; L574-L580 PolarHBondContact O-N 3.29Å; L574-M715 HydrophobicContact CB-CG 4.45Å; L574-M715 HydrophobicContact CB-SD 4.1Å; L574-M715 HydrophobicContact CD1-CG 3.68Å; L574-M715 HydrophobicContact CD1-SD 4.4Å; L574-C719 VanDerWaalsContact CD1-SG 3.57Å; L574-I795 HydrophobicContact CD2-CD1 3.77Å; L574-I795 HydrophobicContact CD2-CG1 3.93Å; L574-I795 HydrophobicContact CD2-CG2 4.29Å; L574-M798 HydrophobicContact CD2-SD 4.07Å
575	L	97.8	Very high	97	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-69.4	-41.6	177.1	-70.8	168.9	0	0	0	112	M571 F572 T573 L580 K581 Y584 V589 M592 I593 M715	M571-L575 HydrophobicContact CG-CD1 4.06Å; M571-L575 WeakPolarHBondContact O-CB 3.42Å; M571-L575 VanDerWaalsContact O-CG 3.3Å; M571-L575 WeakPolarHBondContact O-CG 3.46Å; M571-L575 PolarHBondContact O-N 3.21Å; M571-L575 HydrophobicContact SD-CD1 4.11Å; M571-L575 HydrophobicContact SD-CG 4.38Å; F572-L575 PolarHBondContact O-N 3.03Å; T573-L575 VanDerWaalsContact C-N 3.32Å; T573-L575 PolarHBondContact O-N 2.82Å; L575-L580 HydrophobicContact CD2-CB 4.42Å; L575-L580 PolarHBondContact O-N 3.1Å; L575-K581 HydrophobicContact CB-CB 4.34Å; L575-K581 WeakPolarHBondContact O-CB 3.13Å; L575-K581 PolarHBondContact O-N 3.26Å; L575-Y584 HydrophobicContact CD2-CD2 4.18Å; L575-V589 HydrophobicContact CD1-CG1 4.08Å; L575-V589 HydrophobicContact CD1-CG2 4.41Å; L575-V589 HydrophobicContact CD2-CG2 4.39Å; L575-M592 HydrophobicContact CD1-CE 4.19Å; L575-M592 HydrophobicContact CD2-CE 3.78Å; L575-I593 HydrophobicContact CD1-CD1 4.45Å; L575-I593 HydrophobicContact CD1-CG1 4.19Å; L575-M715 HydrophobicContact CD2-CE 4.03Å; L575-M715 HydrophobicContact CD2-SD 4.32Å; L575-M715 HydrophobicContact CG-CE 4.46Å
576	T	95.9	Very high	97	Very high	33 Å²	33	22.6 Å²	22.6	20%	0.202	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-80.3	-176.9	55.3	0	0	0	0	112.1	Y504 F572 T573 G578 H579	Y504-T576 HydrophobicContact CE1-CG2 4.28Å; F572-T576 HydrophobicContact CD2-CG2 4.21Å; F572-T576 HydrophobicContact CE2-CG2 3.85Å; F572-T576 HydrophobicContact CZ-CG2 4.08Å; F572-T576 WeakPolarHBondContact O-CB 3.28Å; F572-T576 WeakPolarHBondContact O-CG2 3.44Å; F572-T576 PolarHBondContact O-N 3.29Å; F572-T576 PolarHBondContact O-OG1 3.41Å; T573-T576 PolarHBondContact O-N 3.12Å; T576-G578 VanDerWaalsContact C-N 3.28Å; T576-G578 PolarHBondContact O-N 2.93Å; T576-H579 WeakPolarHBondContact O-CA 3.49Å; T576-H579 PolarHBondContact O-N 3.38Å
577	T	96	Very high	97	Very high	46 Å²	46	22.2 Å²	22.2	28%	0.282	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-32.4	-179.9	-51.3	0	0	0	0	112.8	Y504 F506 T573 H579	Y504-T577 PolarHBondContact O-OG1 2.76Å; F506-T577 HydrophobicContact CE2-CG2 4.15Å; T573-T577 CarbonylContact O-C 3.44Å; T573-T577 WeakPolarHBondContact O-CA 3.25Å; T573-T577 WeakPolarHBondContact O-CB 3.37Å; T573-T577 PolarHBondContact O-N 2.79Å; T577-H579 PolarHBondContact O-CD2 3.48Å; T577-H579 PolarHBondContact O-N 3.44Å
578	G	95.4	Very high	97	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-3.7	174	0	0	0	0	0	114.5	T573 L574 T576 L580 H792	T573-G578 PolarHBondContact O-N 2.74Å; L574-G578 CarbonylContact O-C 3.52Å; L574-G578 VanDerWaalsContact O-C 3.3Å; L574-G578 WeakPolarHBondContact O-CA 3.14Å; L574-G578 PolarHBondContact O-N 2.98Å; T576-G578 VanDerWaalsContact C-N 3.28Å; T576-G578 PolarHBondContact O-N 2.93Å; G578-L580 PolarHBondContact O-N 3.11Å; G578-L580 VanDerWaalsContact O-N 3.14Å; G578-H792 PolarHBondContact O-CD2 2.83Å
579	H	94.9	Very high	97	Very high	97 Å²	97	22.7 Å²	22.7	45%	0.449	11%	0.113	S	C	.	.			trans	56.8	19.7	-178.7	-64.2	-95.4	0	0	0	115.5	T576 T577 K581 R582	T576-H579 WeakPolarHBondContact O-CA 3.49Å; T576-H579 PolarHBondContact O-N 3.38Å; T577-H579 PolarHBondContact O-CD2 3.48Å; T577-H579 PolarHBondContact O-N 3.44Å; H579-K581 VanDerWaalsContact C-N 3.33Å; H579-K581 PolarHBondContact O-N 3.02Å; H579-R582 WeakPolarHBondContact O-CD 3.44Å; H579-R582 VanDerWaalsContact O-CG 3.26Å; H579-R582 WeakPolarHBondContact O-CG 3.44Å; H579-R582 PolarHBondContact O-NE 3.4Å
580	L	95.9	Very high	97	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-76.9	-17.8	179.2	-68.7	171.6	0	0	0	113.3	L574 L575 G578 R582 Y583 Y584 M715 F788 F791 H792 I795	L574-L580 HydrophobicContact CB-CD1 4.25Å; L574-L580 WeakPolarHBondContact O-CB 3.38Å; L574-L580 PolarHBondContact O-N 3.29Å; L575-L580 HydrophobicContact CD2-CB 4.42Å; L575-L580 PolarHBondContact O-N 3.1Å; G578-L580 PolarHBondContact O-N 3.11Å; G578-L580 VanDerWaalsContact O-N 3.14Å; L580-R582 PolarHBondContact O-N 2.63Å; L580-Y583 HydrophobicContact CD2-CD2 4.19Å; L580-Y583 HydrophobicContact CD2-CE2 3.85Å; L580-Y583 PolarHBondContact O-N 3.14Å; L580-Y584 WeakPolarHBondContact O-CD2 3.43Å; L580-M715 HydrophobicContact CB-SD 4.5Å; L580-M715 HydrophobicContact CD1-SD 3.71Å; L580-F788 HydrophobicContact CD1-CE1 4.38Å; L580-F791 HydrophobicContact CD2-CD1 4.31Å; L580-F791 HydrophobicContact CD2-CE1 3.99Å; L580-H792 VanDerWaalsContact CD2-CE1 3.46Å; L580-H792 WeakPolarHBondContact CD2-CE1 3.19Å; L580-I795 HydrophobicContact CD1-CD1 4.08Å
581	K	95.8	Very high	97	Very high	62 Å²	62	22.8 Å²	22.8	27%	0.27	11%	0.113	S	C	.	.	G	3₁₀ helix	trans	-53.6	-29.6	177.6	175.5	167.6	-177	177.1	0	112.9	V529 L575 H579 Y583 Y584 D586 V589	V529-K581 PolarHBondContact O-NZ 3.02Å; L575-K581 HydrophobicContact CB-CB 4.34Å; L575-K581 WeakPolarHBondContact O-CB 3.13Å; L575-K581 PolarHBondContact O-N 3.26Å; H579-K581 VanDerWaalsContact C-N 3.33Å; H579-K581 PolarHBondContact O-N 3.02Å; K581-Y583 PolarHBondContact O-N 3.05Å; K581-Y583 VanDerWaalsContact O-N 3.09Å; K581-Y584 PolarHBondContact O-N 3.4Å; K581-D586 WeakPolarHBondContact CE-OD1 3.43Å; K581-D586 IonicContact NZ-OD1 3.92Å; K581-D586 PolarHBondContact NZ-OD1 3.16Å; K581-V589 HydrophobicContact CD-CG2 4.4Å; K581-V589 HydrophobicContact CG-CG2 4.02Å
582	R	94.4	Very high	97	Very high	81 Å²	81	22.8 Å²	22.8	31%	0.306	11%	0.113	S	C	.	.	G	3₁₀ helix	trans	-59.7	-20.8	-177.9	67.9	-165.5	174.9	169.8	3.6	115.7	H579 L580 E694 V698 H792	H579-R582 WeakPolarHBondContact O-CD 3.44Å; H579-R582 VanDerWaalsContact O-CG 3.26Å; H579-R582 WeakPolarHBondContact O-CG 3.44Å; H579-R582 PolarHBondContact O-NE 3.4Å; L580-R582 PolarHBondContact O-N 2.63Å; R582-E694 IonicContact CZ-OE1 3.15Å; R582-E694 VanDerWaalsContact NH1-CD 3.26Å; R582-E694 IonicContact NH1-OE1 3.95Å; R582-E694 PolarHBondContact NH1-OE1 2.78Å; R582-E694 IonicContact NH1-OE2 2.77Å; R582-E694 IonicContact NH2-OE1 2.75Å; R582-E694 PolarHBondContact NH2-OE1 3.36Å; R582-V698 HydrophobicContact CB-CG1 4.42Å; R582-V698 HydrophobicContact CG-CG1 4.48Å; R582-V698 HydrophobicContact CG-CG2 4.19Å; R582-V698 WeakPolarHBondContact O-CG1 3.13Å; R582-H792 PolarHBondContact NE-NE2 3.3Å; R582-H792 PolarHBondContact NH2-CD2 3.2Å; R582-H792 PolarHBondContact NH2-NE2 3.38Å
583	Y	95.9	Very high	97	Very high	4 Å²	4	22.8 Å²	22.8	2%	0.016	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-88.9	-12.8	177.5	-53.7	-53.6	0	0	0	113.3	L580 K581 W697 V698 M701 K708 F791 H792	L580-Y583 HydrophobicContact CD2-CD2 4.19Å; L580-Y583 HydrophobicContact CD2-CE2 3.85Å; L580-Y583 PolarHBondContact O-N 3.14Å; K581-Y583 PolarHBondContact O-N 3.05Å; K581-Y583 VanDerWaalsContact O-N 3.09Å; Y583-W697 AromaticContact CE1-CD1 3.89Å; Y583-W697 AromaticContact CE1-NE1 3.74Å; Y583-W697 AromaticContact CZ-NE1 3.71Å; Y583-W697 PolarHBondContact OH-NE1 2.72Å; Y583-V698 HydrophobicContact CD1-CB 4.49Å; Y583-V698 HydrophobicContact CD1-CG1 4.33Å; Y583-V698 HydrophobicContact CD1-CG2 4.27Å; Y583-V698 HydrophobicContact CE1-CB 4.25Å; Y583-V698 HydrophobicContact CE1-CG2 3.65Å; Y583-M701 HydrophobicContact CD1-CB 3.75Å; Y583-M701 HydrophobicContact CD1-CG 4.41Å; Y583-M701 HydrophobicContact CE1-CB 4.2Å; Y583-M701 HydrophobicContact CE1-CG 4.46Å; Y583-M701 HydrophobicContact CG-CB 4.43Å; Y583-K708 WeakPolarHBondContact O-CD 3.38Å; Y583-F791 HydrophobicContact CE2-CE1 4.09Å; Y583-F791 AromaticContact CE2-CZ 3.92Å; Y583-F791 HydrophobicContact CE2-CZ 3.92Å; Y583-H792 AromaticContact CE2-CE1 3.45Å; Y583-H792 VanDerWaalsContact CE2-CE1 3.45Å; Y583-H792 WeakPolarHBondContact CE2-CE1 3.46Å; Y583-H792 AromaticContact CE2-NE2 3.52Å; Y583-H792 AromaticContact CZ-CE1 3.71Å; Y583-H792 AromaticContact CZ-NE2 3.71Å; Y583-H792 PolarHBondContact OH-CE1 3.23Å; Y583-H792 PolarHBondContact OH-NE2 3.46Å; Y583-H792 VanDerWaalsContact OH-NE2 3.12Å
584	Y	97.3	Very high	97	Very high	18 Å²	18	22.8 Å²	22.8	7%	0.071	11%	0.113	C	C	.	.	S	Bend	trans	-121.6	149.1	-169.2	-59.7	-81.3	0	0	0	110.7	L575 L580 K581 E588 M592 K708 V711 M712	L575-Y584 HydrophobicContact CD2-CD2 4.18Å; L580-Y584 WeakPolarHBondContact O-CD2 3.43Å; K581-Y584 PolarHBondContact O-N 3.4Å; Y584-E588 WeakPolarHBondContact CA-OE2 3.46Å; Y584-E588 HydrophobicContact CD1-CB 4.15Å; Y584-M592 HydrophobicContact CD1-CE 3.77Å; Y584-M592 HydrophobicContact CD1-SD 4.43Å; Y584-M592 HydrophobicContact CD2-CE 3.87Å; Y584-M592 HydrophobicContact CE1-CE 4.14Å; Y584-M592 HydrophobicContact CE1-SD 4.23Å; Y584-M592 HydrophobicContact CE2-CE 4.24Å; Y584-M592 HydrophobicContact CG-CE 3.62Å; Y584-K708 HydrophobicContact CD1-CD 4.22Å; Y584-K708 HydrophobicContact CE1-CB 3.83Å; Y584-K708 HydrophobicContact CE1-CD 4.3Å; Y584-K708 HydrophobicContact CE1-CG 4.22Å; Y584-K708 PolarHBondContact OH-O 3.2Å; Y584-V711 WeakPolarHBondContact OH-CB 3.49Å; Y584-V711 WeakPolarHBondContact OH-CG1 3.32Å; Y584-M712 PolarHBondContact OH-N 3.46Å
585	T	96.6	Very high	97	Very high	72 Å²	72	22.8 Å²	22.8	44%	0.442	11%	0.113	S	C	.	.			trans	-76.5	160.9	169.4	66.5	0	0	0	0	110.8	L587 E588 V589	T585-L587 PolarHBondContact O-N 3.32Å; T585-L587 VanDerWaalsContact O-N 3.14Å; T585-E588 PolarHBondContact N-OE2 3.02Å; T585-E588 PolarHBondContact O-N 2.96Å; T585-E588 VanDerWaalsContact O-N 3.13Å; T585-E588 WeakPolarHBondContact OG1-CG 3.44Å; T585-E588 PolarHBondContact OG1-N 3.04Å; T585-E588 PolarHBondContact OG1-OE2 2.75Å; T585-E588 VanDerWaalsContact OG1-OE2 3.07Å; T585-V589 WeakPolarHBondContact O-CG2 3.34Å; T585-V589 PolarHBondContact O-N 3.19Å
586	D	97.7	Very high	97	Very high	35 Å²	35	22.8 Å²	22.8	19%	0.187	11%	0.113	C	C	.	.	H	α-helix	trans	-60	-25.9	176.9	-61.3	-48.5	0	0	0	112.9	V531 K534 F535 K581 M590	V531-D586 HydrophobicContact CG1-CB 4.12Å; V531-D586 WeakPolarHBondContact CG1-O 3.41Å; K534-D586 HydrophobicContact CD-CB 4.11Å; K534-D586 WeakPolarHBondContact CD-OD2 3.36Å; K534-D586 IonicContact NZ-OD2 3.92Å; K534-D586 PolarHBondContact NZ-OD2 3.27Å; F535-D586 HydrophobicContact CE2-CB 4.17Å; F535-D586 HydrophobicContact CZ-CB 4.4Å; K581-D586 WeakPolarHBondContact CE-OD1 3.43Å; K581-D586 IonicContact NZ-OD1 3.92Å; K581-D586 PolarHBondContact NZ-OD1 3.16Å; D586-M590 WeakPolarHBondContact O-CB 3.38Å; D586-M590 PolarHBondContact O-N 3.43Å
587	L	97.9	Very high	97.2	Very high	15 Å²	15	21.2 Å²	21.2	8%	0.079	10%	0.104	C	C	.	.	H	α-helix	trans	-69.8	-45.7	175.5	-173.7	64.2	0	0	0	111.6	F535 T585 V589 M590 A591 L650 Q654 V658	F535-L587 HydrophobicContact CE1-CD1 4.31Å; F535-L587 HydrophobicContact CE2-CD1 4.47Å; F535-L587 HydrophobicContact CZ-CB 3.9Å; F535-L587 HydrophobicContact CZ-CD1 4.08Å; T585-L587 PolarHBondContact O-N 3.32Å; T585-L587 VanDerWaalsContact O-N 3.14Å; L587-V589 VanDerWaalsContact C-N 3.34Å; L587-M590 HydrophobicContact CD1-CE 3.73Å; L587-M590 PolarHBondContact O-N 3.12Å; L587-A591 PolarHBondContact O-N 3.38Å; L587-L650 HydrophobicContact CD1-CD1 3.83Å; L587-L650 HydrophobicContact CD1-CD2 4.43Å; L587-Q654 HydrophobicContact CD2-CB 3.88Å; L587-Q654 HydrophobicContact CD2-CG 3.88Å; L587-V658 HydrophobicContact CD1-CG2 3.3Å; L587-V658 HydrophobicContact CD2-CG2 4.1Å; L587-V658 HydrophobicContact CG-CG2 3.52Å
588	E	97.9	Very high	97.3	Very high	12 Å²	12	19 Å²	19	6%	0.056	9%	0.09	C	C	.	.	H	α-helix	trans	-64.5	-39.9	175.6	-69.7	165.9	135.6	0	0	110.8	Y584 T585 A591 M592 L661 K708	Y584-E588 WeakPolarHBondContact CA-OE2 3.46Å; Y584-E588 HydrophobicContact CD1-CB 4.15Å; T585-E588 PolarHBondContact N-OE2 3.02Å; T585-E588 PolarHBondContact O-N 2.96Å; T585-E588 VanDerWaalsContact O-N 3.13Å; T585-E588 WeakPolarHBondContact OG1-CG 3.44Å; T585-E588 PolarHBondContact OG1-N 3.04Å; T585-E588 PolarHBondContact OG1-OE2 2.75Å; T585-E588 VanDerWaalsContact OG1-OE2 3.07Å; E588-A591 PolarHBondContact O-N 2.68Å; E588-M592 HydrophobicContact CB-CE 4.46Å; E588-M592 WeakPolarHBondContact O-CE 3.32Å; E588-M592 WeakPolarHBondContact O-CG 3.24Å; E588-M592 PolarHBondContact O-N 2.89Å; E588-L661 HydrophobicContact CB-CD1 4.15Å; E588-L661 HydrophobicContact CG-CD1 3.59Å; E588-K708 IonicContact OE1-NZ 3.94Å; E588-K708 PolarHBondContact OE1-NZ 3.3Å; E588-K708 IonicContact OE2-NZ 2.82Å; E588-K708 PolarHBondContact OE2-NZ 3.4Å
589	V	98.2	Very high	97.4	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-59.5	-47	174	166.2	0	0	0	0	111.5	V529 L575 K581 T585 L587 A591 M592 I593	V529-V589 HydrophobicContact CB-CG1 4.05Å; V529-V589 HydrophobicContact CG1-CG1 3.99Å; V529-V589 HydrophobicContact CG2-CG1 4.32Å; L575-V589 HydrophobicContact CD1-CG1 4.08Å; L575-V589 HydrophobicContact CD1-CG2 4.41Å; L575-V589 HydrophobicContact CD2-CG2 4.39Å; K581-V589 HydrophobicContact CD-CG2 4.4Å; K581-V589 HydrophobicContact CG-CG2 4.02Å; T585-V589 WeakPolarHBondContact O-CG2 3.34Å; T585-V589 PolarHBondContact O-N 3.19Å; L587-V589 VanDerWaalsContact C-N 3.34Å; V589-A591 VanDerWaalsContact C-N 3.34Å; V589-A591 PolarHBondContact O-N 3.03Å; V589-M592 HydrophobicContact CG2-CE 4.37Å; V589-M592 PolarHBondContact O-N 3.27Å; V589-I593 HydrophobicContact CG1-CD1 3.98Å; V589-I593 WeakPolarHBondContact O-CG1 3.21Å; V589-I593 PolarHBondContact O-N 3.44Å; V589-I593 VanDerWaalsContact O-N 3.07Å
590	M	98.1	Very high	97.6	Very high	1 Å²	1	15 Å²	15	1%	0.005	7%	0.072	C	C	.	.	H	α-helix	trans	-58.9	-46.9	175.7	-173.8	172.3	59.6	0	0	111.1	Y526 V531 F535 I537 D586 L587 M592 I593 T594 Y647 L650	Y526-M590 HydrophobicContact CD1-CG 4.41Å; Y526-M590 HydrophobicContact CE1-CG 3.98Å; V531-M590 HydrophobicContact CB-CB 4.47Å; V531-M590 HydrophobicContact CB-SD 4.18Å; V531-M590 HydrophobicContact CG1-CB 4.08Å; V531-M590 HydrophobicContact CG2-CG 4.28Å; V531-M590 HydrophobicContact CG2-SD 4.15Å; F535-M590 HydrophobicContact CD2-CE 4.09Å; F535-M590 HydrophobicContact CD2-SD 4.3Å; F535-M590 HydrophobicContact CE2-CE 4.34Å; I537-M590 HydrophobicContact CD1-SD 3.58Å; I537-M590 VanDerWaalsContact CD1-SD 3.58Å; D586-M590 WeakPolarHBondContact O-CB 3.38Å; D586-M590 PolarHBondContact O-N 3.43Å; L587-M590 HydrophobicContact CD1-CE 3.73Å; L587-M590 PolarHBondContact O-N 3.12Å; M590-M592 PolarHBondContact O-N 3.39Å; M590-I593 PolarHBondContact O-N 2.94Å; M590-T594 WeakPolarHBondContact O-CB 3.31Å; M590-T594 PolarHBondContact O-N 3.46Å; M590-T594 PolarHBondContact O-OG1 3Å; M590-Y647 HydrophobicContact CE-CD1 3.75Å; M590-Y647 HydrophobicContact CE-CE1 3.57Å; M590-Y647 HydrophobicContact CG-CE1 4.23Å; M590-Y647 HydrophobicContact SD-CD1 4.43Å; M590-Y647 HydrophobicContact SD-CE1 4Å; M590-L650 HydrophobicContact CE-CD1 4.06Å
591	A	98.2	Very high	97.7	Very high	1 Å²	1	15 Å²	15	1%	0.008	7%	0.072	C	C	.	.	H	α-helix	trans	-59.7	-43	179.1	0	0	0	0	0	112.6	L587 E588 V589 A595 V658 L661	L587-A591 PolarHBondContact O-N 3.38Å; E588-A591 PolarHBondContact O-N 2.68Å; V589-A591 VanDerWaalsContact C-N 3.34Å; V589-A591 PolarHBondContact O-N 3.03Å; A591-A595 VanDerWaalsContact O-CB 3.23Å; A591-A595 WeakPolarHBondContact O-CB 3.45Å; A591-A595 PolarHBondContact O-N 3.1Å; A591-V658 HydrophobicContact CB-CB 4.44Å; A591-V658 HydrophobicContact CB-CG1 3.89Å; A591-V658 HydrophobicContact CB-CG2 4.41Å; A591-L661 HydrophobicContact CB-CB 4.08Å; A591-L661 HydrophobicContact CB-CD1 4.3Å
592	M	98.4	Very high	97.8	Very high	1 Å²	1	12.9 Å²	12.9	1%	0.005	6%	0.064	C	C	.	.	H	α-helix	trans	-67.9	-41.1	-179.9	-72.4	-176.5	-70.8	0	0	112.9	M571 L575 Y584 E588 V589 M590 A595 G596 M712 M715	M571-M592 HydrophobicContact CE-CB 4.5Å; M571-M592 HydrophobicContact CG-CB 4.22Å; M571-M592 HydrophobicContact SD-CB 4.07Å; L575-M592 HydrophobicContact CD1-CE 4.19Å; L575-M592 HydrophobicContact CD2-CE 3.78Å; Y584-M592 HydrophobicContact CD1-CE 3.77Å; Y584-M592 HydrophobicContact CD1-SD 4.43Å; Y584-M592 HydrophobicContact CD2-CE 3.87Å; Y584-M592 HydrophobicContact CE1-CE 4.14Å; Y584-M592 HydrophobicContact CE1-SD 4.23Å; Y584-M592 HydrophobicContact CE2-CE 4.24Å; Y584-M592 HydrophobicContact CG-CE 3.62Å; E588-M592 HydrophobicContact CB-CE 4.46Å; E588-M592 WeakPolarHBondContact O-CE 3.32Å; E588-M592 WeakPolarHBondContact O-CG 3.24Å; E588-M592 PolarHBondContact O-N 2.89Å; V589-M592 HydrophobicContact CG2-CE 4.37Å; V589-M592 PolarHBondContact O-N 3.27Å; M590-M592 PolarHBondContact O-N 3.39Å; M592-A595 PolarHBondContact O-N 3.26Å; M592-G596 PolarHBondContact O-N 2.88Å; M592-M712 HydrophobicContact CG-CG 3.79Å; M592-M712 HydrophobicContact CG-SD 3.6Å; M592-M712 VanDerWaalsContact CG-SD 3.6Å; M592-M712 HydrophobicContact SD-CB 4.12Å; M592-M712 HydrophobicContact SD-CG 3.61Å; M592-M712 HydrophobicContact SD-SD 3.93Å; M592-M715 HydrophobicContact CE-CE 4.23Å; M592-M715 HydrophobicContact SD-CE 3.33Å; M592-M715 WeakPolarHBondContact SD-CE 3.31Å
593	I	98.3	Very high	97.9	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-65.8	-47.6	176.1	-69.5	172.8	0	0	0	110	Y526 V529 M571 F572 L575 V589 M590 A595 G596 F597	Y526-I593 HydrophobicContact CE2-CG2 4.11Å; V529-I593 HydrophobicContact CG1-CD1 3.81Å; V529-I593 HydrophobicContact CG2-CD1 4.34Å; M571-I593 HydrophobicContact CG-CG1 4.3Å; F572-I593 HydrophobicContact CB-CD1 4.48Å; F572-I593 HydrophobicContact CD2-CD1 4.27Å; L575-I593 HydrophobicContact CD1-CD1 4.45Å; L575-I593 HydrophobicContact CD1-CG1 4.19Å; V589-I593 HydrophobicContact CG1-CD1 3.98Å; V589-I593 WeakPolarHBondContact O-CG1 3.21Å; V589-I593 PolarHBondContact O-N 3.44Å; V589-I593 VanDerWaalsContact O-N 3.07Å; M590-I593 PolarHBondContact O-N 2.94Å; I593-A595 VanDerWaalsContact C-N 3.32Å; I593-A595 PolarHBondContact O-N 3.34Å; I593-G596 PolarHBondContact O-N 3.31Å; I593-G596 VanDerWaalsContact O-N 3.15Å; I593-F597 HydrophobicContact CG2-CD2 3.95Å; I593-F597 HydrophobicContact CG2-CE2 3.46Å; I593-F597 VanDerWaalsContact CG2-CE2 3.46Å; I593-F597 HydrophobicContact CG2-CZ 4.38Å; I593-F597 VanDerWaalsContact O-CD2 3.32Å; I593-F597 WeakPolarHBondContact O-CD2 3.12Å; I593-F597 PolarHBondContact O-N 2.87Å; I593-F597 VanDerWaalsContact O-N 3.15Å
594	T	98.5	Very high	97.9	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-59.3	-43.6	176.4	-54.9	0	0	0	0	111.4	Y526 F545 M590 G596 F597 L598 I646 Y647	Y526-T594 WeakPolarHBondContact OH-CA 3.33Å; Y526-T594 WeakPolarHBondContact OH-CB 3.32Å; Y526-T594 PolarHBondContact OH-OG1 3.38Å; F545-T594 HydrophobicContact CE1-CG2 4.18Å; F545-T594 HydrophobicContact CZ-CG2 3.74Å; M590-T594 WeakPolarHBondContact O-CB 3.31Å; M590-T594 PolarHBondContact O-N 3.46Å; M590-T594 PolarHBondContact O-OG1 3Å; T594-G596 VanDerWaalsContact C-N 3.33Å; T594-G596 PolarHBondContact O-N 2.95Å; T594-F597 PolarHBondContact O-N 3.09Å; T594-L598 HydrophobicContact CG2-CD1 3.82Å; T594-L598 HydrophobicContact CG2-CG 4.44Å; T594-L598 WeakPolarHBondContact O-CG 3.43Å; T594-L598 PolarHBondContact O-N 3.09Å; T594-L598 VanDerWaalsContact O-N 3.12Å; T594-I646 HydrophobicContact CG2-CD1 4.35Å; T594-Y647 WeakPolarHBondContact CB-OH 3.32Å; T594-Y647 WeakPolarHBondContact CG2-OH 3.45Å; T594-Y647 PolarHBondContact OG1-OH 3.05Å
595	A	98.6	Very high	97.7	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-60.7	-41.2	176.3	0	0	0	0	0	112	A591 M592 I593 F597 L598 H599 T662 A665 I666 M716	A591-A595 VanDerWaalsContact O-CB 3.23Å; A591-A595 WeakPolarHBondContact O-CB 3.45Å; A591-A595 PolarHBondContact O-N 3.1Å; M592-A595 PolarHBondContact O-N 3.26Å; I593-A595 VanDerWaalsContact C-N 3.32Å; I593-A595 PolarHBondContact O-N 3.34Å; A595-F597 VanDerWaalsContact C-N 3.31Å; A595-F597 PolarHBondContact O-N 2.92Å; A595-L598 PolarHBondContact O-N 2.85Å; A595-L598 VanDerWaalsContact O-N 3.13Å; A595-H599 WeakPolarHBondContact O-CB 3.47Å; A595-H599 PolarHBondContact O-N 2.86Å; A595-T662 HydrophobicContact CB-CG2 4.16Å; A595-A665 HydrophobicContact CB-CB 3.73Å; A595-I666 HydrophobicContact CB-CG1 4.09Å; A595-M716 HydrophobicContact CB-CE 3.77Å
596	G	98.3	Very high	97.7	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-59.6	-39.9	176.1	0	0	0	0	0	112.8	M592 I593 T594 H599	M592-G596 PolarHBondContact O-N 2.88Å; I593-G596 PolarHBondContact O-N 3.31Å; I593-G596 VanDerWaalsContact O-N 3.15Å; T594-G596 VanDerWaalsContact C-N 3.33Å; T594-G596 PolarHBondContact O-N 2.95Å; G596-H599 PolarHBondContact O-ND1 3.01Å
597	F	98.6	Very high	97.5	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-72.6	-24.8	175.7	-68.6	-54.6	0	0	0	114	M525 Y526 M546 V549 Y553 W561 F565 I593 T594 A595	M525-F597 HydrophobicContact SD-CZ 3.86Å; Y526-F597 HydrophobicContact CE2-CD2 4.28Å; Y526-F597 AromaticContact CE2-CE2 3.92Å; Y526-F597 HydrophobicContact CE2-CE2 3.92Å; M546-F597 HydrophobicContact CE-CD1 4.16Å; M546-F597 HydrophobicContact CE-CD2 3.85Å; M546-F597 HydrophobicContact CE-CE1 4.11Å; M546-F597 HydrophobicContact CE-CE2 3.78Å; M546-F597 HydrophobicContact CE-CG 4.04Å; M546-F597 HydrophobicContact CE-CZ 3.92Å; M546-F597 HydrophobicContact SD-CD2 4.1Å; M546-F597 HydrophobicContact SD-CE2 4.28Å; V549-F597 HydrophobicContact CG1-CB 4.41Å; Y553-F597 VanDerWaalsContact CE2-O 3.23Å; Y553-F597 WeakPolarHBondContact CE2-O 3.3Å; Y553-F597 PolarHBondContact OH-O 2.65Å; W561-F597 AromaticContact CH2-CD1 3.92Å; W561-F597 HydrophobicContact CH2-CD1 3.92Å; W561-F597 HydrophobicContact CH2-CE1 4.37Å; W561-F597 HydrophobicContact CZ3-CD1 4.18Å; F565-F597 AromaticContact CD2-CE1 3.87Å; F565-F597 HydrophobicContact CD2-CE1 3.87Å; F565-F597 HydrophobicContact CE2-CE1 4.38Å; I593-F597 HydrophobicContact CG2-CD2 3.95Å; I593-F597 HydrophobicContact CG2-CE2 3.46Å; I593-F597 VanDerWaalsContact CG2-CE2 3.46Å; I593-F597 HydrophobicContact CG2-CZ 4.38Å; I593-F597 VanDerWaalsContact O-CD2 3.32Å; I593-F597 WeakPolarHBondContact O-CD2 3.12Å; I593-F597 PolarHBondContact O-N 2.87Å; I593-F597 VanDerWaalsContact O-N 3.15Å; T594-F597 PolarHBondContact O-N 3.09Å; A595-F597 VanDerWaalsContact C-N 3.31Å; A595-F597 PolarHBondContact O-N 2.92Å
598	L	98.5	Very high	97.4	Very high	1 Å²	1	12.8 Å²	12.8	1%	0.005	6%	0.063	C	C	.	.	H	α-helix	trans	-97.8	-14.7	-176.2	-68.9	175.6	0	0	0	114.4	F545 V549 T594 A595 D600 I601 L639 I666	F545-L598 HydrophobicContact CZ-CD1 4.34Å; F545-L598 HydrophobicContact CZ-CD2 4.32Å; F545-L598 HydrophobicContact CZ-CG 4.43Å; V549-L598 HydrophobicContact CG1-CD2 4.14Å; V549-L598 HydrophobicContact CG2-CD2 3.66Å; T594-L598 HydrophobicContact CG2-CD1 3.82Å; T594-L598 HydrophobicContact CG2-CG 4.44Å; T594-L598 WeakPolarHBondContact O-CG 3.43Å; T594-L598 PolarHBondContact O-N 3.09Å; T594-L598 VanDerWaalsContact O-N 3.12Å; A595-L598 PolarHBondContact O-N 2.85Å; A595-L598 VanDerWaalsContact O-N 3.13Å; L598-D600 PolarHBondContact O-N 3.47Å; L598-I601 HydrophobicContact CD2-CD1 4.08Å; L598-I601 VanDerWaalsContact O-CG2 3.29Å; L598-I601 WeakPolarHBondContact O-CG2 3.45Å; L598-I601 PolarHBondContact O-N 3.44Å; L598-I601 VanDerWaalsContact O-N 3.14Å; L598-L639 HydrophobicContact CD1-CD1 4.34Å; L598-I666 HydrophobicContact CB-CD1 4Å
599	H	98.3	Very high	97.2	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-28.2	-162.6	79.8	-72.9	0	0	0	115.4	H563 A595 G596 H631 I666 T669	H563-H599 AromaticContact CD2-CE1 3.93Å; H563-H599 AromaticContact CD2-NE2 3.92Å; H563-H599 AromaticContact NE2-CE1 3.54Å; H563-H599 AromaticContact NE2-NE2 3.2Å; H563-H599 PolarHBondContact NE2-NE2 3.36Å; A595-H599 WeakPolarHBondContact O-CB 3.47Å; A595-H599 PolarHBondContact O-N 2.86Å; G596-H599 PolarHBondContact O-ND1 3.01Å; H599-H631 WeakPolarHBondContact O-CB 3.49Å; H599-H631 PolarHBondContact O-CD2 2.94Å; H599-I666 HydrophobicContact CB-CG1 4.31Å; H599-T669 HydrophobicContact CB-CG2 4.08Å
600	D	98.4	Very high	97	Very high	12 Å²	12	18.2 Å²	18.2	6%	0.064	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122	19.4	-176.9	-89.8	-2.8	0	0	0	113.3	Y553 H559 H563 L598 D602 H603 H631	Y553-D600 VanDerWaalsContact CE1-C 3.43Å; Y553-D600 HydrophobicContact CE1-CB 3.88Å; Y553-D600 VanDerWaalsContact CE1-O 3.29Å; Y553-D600 WeakPolarHBondContact CE1-O 3.45Å; H559-D600 IonicContact CD2-OD2 3.43Å; H559-D600 PolarHBondContact CD2-OD2 3.18Å; H559-D600 VanDerWaalsContact CD2-OD2 3.32Å; H563-D600 IonicContact CD2-OD2 2.83Å; H563-D600 PolarHBondContact CD2-OD2 3.41Å; H563-D600 VanDerWaalsContact CD2-OD2 3.27Å; H563-D600 IonicContact NE2-OD2 3.58Å; H563-D600 PolarHBondContact NE2-OD2 2.99Å; H563-D600 VanDerWaalsContact NE2-OD2 3.16Å; L598-D600 PolarHBondContact O-N 3.47Å; D600-D602 PolarHBondContact O-N 3.31Å; D600-H603 WeakPolarHBondContact O-CB 3.35Å; D600-H603 PolarHBondContact O-N 3.32Å; D600-H603 VanDerWaalsContact O-N 3.17Å; D600-H631 IonicContact OD1-CD2 2.67Å; D600-H631 IonicContact OD1-NE2 3.12Å
601	I	97.6	Very high	96.9	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	137.3	-179.4	-163.7	165.8	0	0	0	111.2	V549 Y553 L598 H603 H631 F634 L638	V549-I601 HydrophobicContact CG1-CD1 4.37Å; Y553-I601 HydrophobicContact CD2-CG1 4.35Å; Y553-I601 HydrophobicContact CE2-CB 4.21Å; Y553-I601 HydrophobicContact CE2-CG1 4.31Å; L598-I601 HydrophobicContact CD2-CD1 4.08Å; L598-I601 VanDerWaalsContact O-CG2 3.29Å; L598-I601 WeakPolarHBondContact O-CG2 3.45Å; L598-I601 PolarHBondContact O-N 3.44Å; L598-I601 VanDerWaalsContact O-N 3.14Å; I601-H603 VanDerWaalsContact C-N 3.25Å; I601-H603 PolarHBondContact O-N 2.98Å; I601-H631 HydrophobicContact CG2-CB 4.33Å; I601-H631 PolarHBondContact O-CE1 2.94Å; I601-H631 PolarHBondContact O-ND1 3.2Å; I601-F634 HydrophobicContact CD1-CD1 3.79Å; I601-F634 HydrophobicContact CD1-CE1 3.85Å; I601-F634 HydrophobicContact CG1-CD1 3.91Å; I601-F634 HydrophobicContact CG1-CE1 4.04Å; I601-F634 HydrophobicContact CG2-CB 4.12Å; I601-F634 HydrophobicContact CG2-CD1 3.81Å; I601-F634 HydrophobicContact CG2-CG 4.34Å; I601-L638 HydrophobicContact CD1-CD1 3.64Å
602	D	97.3	Very high	96.7	Very high	17 Å²	17	22.3 Å²	22.3	9%	0.091	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.7	23.6	-174.7	-163.7	46.2	0	0	0	115.5	G552 R554 D600 R604 H630	G552-D602 PolarHBondContact O-N 2.83Å; R554-D602 IonicContact CZ-OD1 3.36Å; R554-D602 IonicContact NE-OD1 2.78Å; R554-D602 PolarHBondContact NE-OD1 3.26Å; R554-D602 IonicContact NH2-OD1 3.95Å; R554-D602 PolarHBondContact NH2-OD1 3.49Å; R554-D602 IonicContact NH2-OD2 3.47Å; D600-D602 PolarHBondContact O-N 3.31Å; D602-R604 IonicContact OD2-NH2 3.82Å; D602-H630 IonicContact OD2-CD2 2.84Å; D602-H630 IonicContact OD2-CE1 2.89Å; D602-H630 PolarHBondContact OD2-CE1 2.88Å; D602-H630 IonicContact OD2-NE2 2.65Å; D602-H630 PolarHBondContact OD2-NE2 2.99Å
603	H	97.5	Very high	96.5	Very high	15 Å²	15	26.2 Å²	26.2	7%	0.069	13%	0.132	C	C	.	.			trans	-59.4	139	172.6	-166.5	-91	0	0	0	112.2	R554 I556 H559 D600 I601 G605 H631	R554-H603 VanDerWaalsContact CD-O 3.23Å; R554-H603 WeakPolarHBondContact CD-O 3.3Å; I556-H603 WeakPolarHBondContact CD1-O 3.34Å; H559-H603 HydrophobicContact CB-CB 3.82Å; H559-H603 WeakPolarHBondContact CB-ND1 3.43Å; H559-H603 AromaticContact CE1-CE1 3.88Å; H559-H603 AromaticContact CG-CE1 3.72Å; H559-H603 AromaticContact CG-CG 3.91Å; H559-H603 AromaticContact CG-ND1 3.43Å; H559-H603 AromaticContact ND1-CE1 3.51Å; H559-H603 AromaticContact ND1-ND1 3.54Å; D600-H603 WeakPolarHBondContact O-CB 3.35Å; D600-H603 PolarHBondContact O-N 3.32Å; D600-H603 VanDerWaalsContact O-N 3.17Å; I601-H603 VanDerWaalsContact C-N 3.25Å; I601-H603 PolarHBondContact O-N 2.98Å; H603-G605 PolarHBondContact ND1-N 3.27Å; H603-G605 VanDerWaalsContact ND1-N 3.11Å; H603-H631 AromaticContact CD2-NE2 3.72Å
604	R	94.8	Very high	96.2	Very high	104 Å²	104	28.4 Å²	28.4	39%	0.392	15%	0.148	S	C	.	.			trans	-100.7	1.6	-168.7	-62.2	-180	-179.5	-109.6	-6.6	114.7	D602 T606	D602-R604 IonicContact OD2-NH2 3.82Å; R604-T606 VanDerWaalsContact C-N 3.33Å
605	G	94.8	Very high	95.9	Very high	13 Å²	13	30.2 Å²	30.2	13%	0.134	17%	0.166	C	C	.	.	S	Bend	trans	76.6	17.5	-177	0	0	0	0	0	114.4	H603 E741	H603-G605 PolarHBondContact ND1-N 3.27Å; H603-G605 VanDerWaalsContact ND1-N 3.11Å; G605-E741 VanDerWaalsContact CA-OE1 3.3Å; G605-E741 WeakPolarHBondContact CA-OE1 3.42Å
606	T	95	Very high	95.7	Very high	11 Å²	11	32 Å²	32	7%	0.067	18%	0.176	C	C	.	.	S	Bend	trans	-140.1	144	177.8	57.7	0	0	0	0	109.8	R604 Y610 Q611 L627 Q745 L748	R604-T606 VanDerWaalsContact C-N 3.33Å; T606-Y610 HydrophobicContact CG2-CD1 3.85Å; T606-Y610 HydrophobicContact CG2-CE1 4.11Å; T606-Y610 HydrophobicContact CG2-CG 4.32Å; T606-Q611 PolarHBondContact OG1-NE2 2.92Å; T606-L627 WeakPolarHBondContact O-CD1 3.32Å; T606-Q745 VanDerWaalsContact CA-OE1 3.3Å; T606-Q745 HydrophobicContact CG2-CB 4.46Å; T606-Q745 HydrophobicContact CG2-CG 4.21Å; T606-L748 HydrophobicContact CG2-CD1 4.14Å
607	N	94.6	Very high	95.5	Very high	45 Å²	45	36.6 Å²	36.6	24%	0.241	21%	0.205	C	C	.	.			trans	-81.6	171.7	-175.3	67.7	23.6	0	0	0	115.1	L609 Y610 Q611 Q745 M761	N607-L609 VanDerWaalsContact C-N 3.26Å; N607-L609 PolarHBondContact O-N 3.37Å; N607-L609 PolarHBondContact OD1-N 3.3Å; N607-Y610 WeakPolarHBondContact O-CB 3.23Å; N607-Y610 PolarHBondContact O-N 3.33Å; N607-Y610 VanDerWaalsContact O-N 3.1Å; N607-Y610 PolarHBondContact OD1-N 3.41Å; N607-Q611 PolarHBondContact O-N 2.99Å; N607-Q745 VanDerWaalsContact CG-NE2 3.31Å; N607-Q745 PolarHBondContact ND2-NE2 3.5Å; N607-Q745 PolarHBondContact OD1-NE2 3.44Å; N607-Q745 VanDerWaalsContact OD1-NE2 3.08Å; N607-M761 WeakPolarHBondContact ND2-CE 3.39Å
608	N	95	Very high	95.2	Very high	36 Å²	36	37.5 Å²	37.5	19%	0.193	21%	0.21	C	C	.	.	H	α-helix	trans	-53	-37.9	177.9	-78.8	-29.1	0	0	0	113.7	Q611 V612 I626 L627 E628	N608-Q611 PolarHBondContact O-N 3.35Å; N608-V612 PolarHBondContact O-N 2.77Å; N608-I626 WeakPolarHBondContact OD1-CB 3.38Å; N608-I626 PolarHBondContact OD1-N 3.29Å; N608-L627 WeakPolarHBondContact OD1-CB 3.01Å; N608-L627 VanDerWaalsContact OD1-CG 3.27Å; N608-L627 WeakPolarHBondContact OD1-CG 3.41Å; N608-L627 PolarHBondContact OD1-N 3.47Å; N608-E628 PolarHBondContact ND2-OE1 3.01Å; N608-E628 PolarHBondContact ND2-OE2 3.31Å
609	L	93.9	Very high	95	Very high	103 Å²	103	38.7 Å²	38.7	54%	0.539	22%	0.22	S	C	.	.	H	α-helix	trans	-65.9	-39.8	179.9	-178.8	62.3	0	0	0	111.7	N607 V612 K613	N607-L609 VanDerWaalsContact C-N 3.26Å; N607-L609 PolarHBondContact O-N 3.37Å; N607-L609 PolarHBondContact OD1-N 3.3Å; L609-V612 PolarHBondContact O-N 2.68Å; L609-K613 HydrophobicContact CG-CD 4.47Å; L609-K613 WeakPolarHBondContact O-CG 3.42Å; L609-K613 PolarHBondContact O-N 3.27Å
610	Y	94.6	Very high	94.7	Very high	22 Å²	22	46.8 Å²	46.8	9%	0.086	26%	0.255	C	S	.	.	H	α-helix	trans	-65.2	-39.5	175.7	-175.2	-93.4	0	0	0	112.1	T606 N607 V612 K613 S614 Q745 L748 E749 L753	T606-Y610 HydrophobicContact CG2-CD1 3.85Å; T606-Y610 HydrophobicContact CG2-CE1 4.11Å; T606-Y610 HydrophobicContact CG2-CG 4.32Å; N607-Y610 WeakPolarHBondContact O-CB 3.23Å; N607-Y610 PolarHBondContact O-N 3.33Å; N607-Y610 VanDerWaalsContact O-N 3.1Å; N607-Y610 PolarHBondContact OD1-N 3.41Å; Y610-V612 VanDerWaalsContact C-N 3.28Å; Y610-V612 PolarHBondContact O-N 3.38Å; Y610-K613 PolarHBondContact O-N 3.4Å; Y610-S614 WeakPolarHBondContact O-CB 3.46Å; Y610-S614 PolarHBondContact O-N 3.3Å; Y610-S614 PolarHBondContact O-OG 3.27Å; Y610-Q745 HydrophobicContact CD2-CG 4.42Å; Y610-L748 HydrophobicContact CE2-CB 4.31Å; Y610-E749 HydrophobicContact CD2-CG 3.56Å; Y610-E749 HydrophobicContact CE2-CG 3.77Å; Y610-L753 HydrophobicContact CD2-CD1 4.1Å; Y610-L753 HydrophobicContact CE2-CD1 3.89Å; Y610-L753 HydrophobicContact CE2-CG 4.32Å
611	Q	95.1	Very high	94.3	Very high	3 Å²	3	51.6 Å²	51.6	1%	0.014	28%	0.28	C	S	.	.	H	α-helix	trans	-58.3	-41.6	176.7	-60.4	-56.4	-25	0	0	112	T606 N607 N608 S614 G615 N616 A619 L627	T606-Q611 PolarHBondContact OG1-NE2 2.92Å; N607-Q611 PolarHBondContact O-N 2.99Å; N608-Q611 PolarHBondContact O-N 3.35Å; Q611-S614 PolarHBondContact O-OG 3.16Å; Q611-G615 PolarHBondContact O-N 3.04Å; Q611-N616 HydrophobicContact CB-CB 4.43Å; Q611-N616 WeakPolarHBondContact O-CB 3.37Å; Q611-N616 PolarHBondContact O-N 2.84Å; Q611-N616 VanDerWaalsContact OE1-CB 3.27Å; Q611-N616 PolarHBondContact OE1-ND2 3.07Å; Q611-A619 HydrophobicContact CB-CB 4.41Å; Q611-L627 HydrophobicContact CG-CD1 4.38Å; Q611-L627 HydrophobicContact CG-CD2 4.12Å; Q611-L627 HydrophobicContact CG-CG 4.25Å
612	V	94.6	Very high	94	Very high	85 Å²	85	52.9 Å²	52.9	52%	0.515	29%	0.286	S	S	.	.	H	α-helix	trans	-66.3	-49.8	175.5	177	0	0	0	0	110.9	N608 L609 Y610 S614 G615 A619 I626	N608-V612 PolarHBondContact O-N 2.77Å; L609-V612 PolarHBondContact O-N 2.68Å; Y610-V612 VanDerWaalsContact C-N 3.28Å; Y610-V612 PolarHBondContact O-N 3.38Å; V612-S614 VanDerWaalsContact C-N 3.31Å; V612-S614 PolarHBondContact O-N 2.93Å; V612-G615 PolarHBondContact O-N 3.17Å; V612-A619 HydrophobicContact CG2-CB 4.22Å; V612-I626 HydrophobicContact CG2-CD1 3.48Å; V612-I626 VanDerWaalsContact CG2-CD1 3.48Å
613	K	94	Very high	93.5	Very high	83 Å²	83	56.1 Å²	56.1	36%	0.361	32%	0.323	S	S	.	.	H	α-helix	trans	-63	-35.1	-177.7	-73.2	-177.3	177.5	-170.9	0	113.4	L609 Y610 G615 E749 L753	L609-K613 HydrophobicContact CG-CD 4.47Å; L609-K613 WeakPolarHBondContact O-CG 3.42Å; L609-K613 PolarHBondContact O-N 3.27Å; Y610-K613 PolarHBondContact O-N 3.4Å; K613-G615 VanDerWaalsContact C-N 3.29Å; K613-G615 PolarHBondContact O-N 3.42Å; K613-E749 IonicContact NZ-OE2 2.88Å; K613-L753 HydrophobicContact CB-CD1 3.78Å; K613-L753 HydrophobicContact CD-CD1 4.01Å
614	S	92.8	Very high	93.2	Very high	47 Å²	47	58.5 Å²	58.5	33%	0.329	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-6.4	179.7	57.9	0	0	0	0	113.9	Y610 Q611 V612 N616	Y610-S614 WeakPolarHBondContact O-CB 3.46Å; Y610-S614 PolarHBondContact O-N 3.3Å; Y610-S614 PolarHBondContact O-OG 3.27Å; Q611-S614 PolarHBondContact O-OG 3.16Å; V612-S614 VanDerWaalsContact C-N 3.31Å; V612-S614 PolarHBondContact O-N 2.93Å; S614-N616 VanDerWaalsContact C-N 3.27Å; S614-N616 PolarHBondContact O-N 3.48Å
615	G	91.9	Very high	93.1	Very high	38 Å²	38	54 Å²	54	39%	0.392	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.9	26.3	-178.1	0	0	0	0	0	113.8	Q611 V612 K613	Q611-G615 PolarHBondContact O-N 3.04Å; V612-G615 PolarHBondContact O-N 3.17Å; K613-G615 VanDerWaalsContact C-N 3.29Å; K613-G615 PolarHBondContact O-N 3.42Å
616	N	93.9	Very high	93.2	Very high	37 Å²	37	53.8 Å²	53.8	20%	0.198	32%	0.322	C	S	.	.			trans	-58.9	142	-176.8	-169.9	-67.1	0	0	0	111.5	Q611 S614 L618 A619 K620	Q611-N616 HydrophobicContact CB-CB 4.43Å; Q611-N616 WeakPolarHBondContact O-CB 3.37Å; Q611-N616 PolarHBondContact O-N 2.84Å; Q611-N616 VanDerWaalsContact OE1-CB 3.27Å; Q611-N616 PolarHBondContact OE1-ND2 3.07Å; S614-N616 VanDerWaalsContact C-N 3.27Å; S614-N616 PolarHBondContact O-N 3.48Å; N616-L618 PolarHBondContact O-N 3.41Å; N616-L618 VanDerWaalsContact O-N 3.15Å; N616-L618 WeakPolarHBondContact OD1-CB 3.4Å; N616-L618 PolarHBondContact OD1-N 3.02Å; N616-A619 WeakPolarHBondContact O-CB 3.37Å; N616-A619 PolarHBondContact O-N 3.12Å; N616-K620 PolarHBondContact O-N 3.01Å
617	P	94.6	Very high	93.3	Very high	96 Å²	96	53.5 Å²	53.5	62%	0.623	32%	0.32	S	S	*	.	H	α-helix	trans	-50.7	-35.4	174.9	-29.6	36.1	0	0	0	114.8	A619 K620 L621	P617-A619 VanDerWaalsContact C-N 3.29Å; P617-A619 PolarHBondContact O-N 3Å; P617-K620 WeakPolarHBondContact O-CB 3.5Å; P617-K620 PolarHBondContact O-N 3Å; P617-L621 PolarHBondContact O-N 3.46Å
618	L	92.6	Very high	93.5	Very high	20 Å²	20	52.5 Å²	52.5	11%	0.105	31%	0.314	C	S	.	.	H	α-helix	trans	-60.7	-37.7	176.7	-67.6	176.7	0	0	0	112.2	N616 K620 L621 H622 I626 L627 H630	N616-L618 PolarHBondContact O-N 3.41Å; N616-L618 VanDerWaalsContact O-N 3.15Å; N616-L618 WeakPolarHBondContact OD1-CB 3.4Å; N616-L618 PolarHBondContact OD1-N 3.02Å; L618-K620 VanDerWaalsContact C-N 3.26Å; L618-K620 PolarHBondContact O-N 3.14Å; L618-L621 PolarHBondContact O-N 2.91Å; L618-H622 PolarHBondContact O-N 2.73Å; L618-I626 HydrophobicContact CB-CG2 3.72Å; L618-L627 HydrophobicContact CD1-CD2 4.44Å; L618-H630 HydrophobicContact CD1-CB 4.39Å; L618-H630 HydrophobicContact CD2-CB 4.28Å
619	A	93.1	Very high	93.6	Very high	25 Å²	25	55.2 Å²	55.2	21%	0.207	32%	0.321	C	S	.	.	H	α-helix	trans	-72.6	-19.7	176.6	0	0	0	0	0	113.1	Q611 V612 N616 P617 H622 I626	Q611-A619 HydrophobicContact CB-CB 4.41Å; V612-A619 HydrophobicContact CG2-CB 4.22Å; N616-A619 WeakPolarHBondContact O-CB 3.37Å; N616-A619 PolarHBondContact O-N 3.12Å; P617-A619 VanDerWaalsContact C-N 3.29Å; P617-A619 PolarHBondContact O-N 3Å; A619-H622 VanDerWaalsContact O-O 3.1Å; A619-I626 HydrophobicContact CB-CD1 3.91Å
620	K	91.9	Very high	93.7	Very high	171 Å²	171	51.2 Å²	51.2	74%	0.743	30%	0.3	S	S	*	.	H	α-helix	trans	-83.5	-33.1	171.9	-60.2	-179.7	-175.7	175	0	111.5	N616 P617 L618	N616-K620 PolarHBondContact O-N 3.01Å; P617-K620 WeakPolarHBondContact O-CB 3.5Å; P617-K620 PolarHBondContact O-N 3Å; L618-K620 VanDerWaalsContact C-N 3.26Å; L618-K620 PolarHBondContact O-N 3.14Å
621	L	90.7	Very high	93.9	Very high	112 Å²	112	50.2 Å²	50.2	59%	0.586	30%	0.296	S	S	*	.	H	α-helix	trans	-75.2	-40.1	178.6	-176	63.2	0	0	0	112.1	P617 L618	P617-L621 PolarHBondContact O-N 3.46Å; L618-L621 PolarHBondContact O-N 2.91Å
622	H	92.1	Very high	94	Very high	28 Å²	28	50.7 Å²	50.7	13%	0.13	30%	0.299	C	S	.	.			trans	-117.9	132.7	-176.8	-57	-43	0	0	0	111.6	L618 A619 I626	L618-H622 PolarHBondContact O-N 2.73Å; A619-H622 VanDerWaalsContact O-O 3.1Å; H622-I626 HydrophobicContact CB-CB 4.47Å; H622-I626 HydrophobicContact CB-CG1 4.26Å; H622-I626 HydrophobicContact CB-CG2 4.43Å; H622-I626 PolarHBondContact CD2-O 3.31Å
623	G	85.4	Confident	94.1	Very high	84 Å²	84	50.4 Å²	50.4	87%	0.866	29%	0.292	S	S	*	.	S	Bend	trans	-90.2	-15.4	178.6	0	0	0	0	0	115.4
624	S	91.4	Very high	94.2	Very high	65 Å²	65	47.5 Å²	47.5	46%	0.455	28%	0.279	S	S	.	.	S	Bend	trans	-153.9	149.1	179.1	60.6	0	0	0	0	110.9	I626 R629	S624-I626 PolarHBondContact O-N 2.88Å; S624-R629 VanDerWaalsContact O-CD 3.26Å; S624-R629 WeakPolarHBondContact O-CD 3.43Å; S624-R629 PolarHBondContact O-NE 3.34Å
625	S	94.2	Very high	94.4	Very high	10 Å²	10	45.4 Å²	45.4	7%	0.07	27%	0.265	C	S	.	.	S	Bend	trans	47.9	58.1	-178.5	-47.1	0	0	0	0	110.9	E628 R629 D670	S625-E628 WeakPolarHBondContact CA-OE2 3.41Å; S625-E628 WeakPolarHBondContact CB-OE2 3.34Å; S625-R629 WeakPolarHBondContact O-CB 3.5Å; S625-R629 VanDerWaalsContact O-CG 3.28Å; S625-R629 WeakPolarHBondContact O-CG 3.36Å; S625-R629 PolarHBondContact O-N 3.37Å; S625-D670 WeakPolarHBondContact CB-OD2 3.31Å; S625-D670 PolarHBondContact OG-OD2 2.89Å
626	I	96.3	Very high	94.6	Very high	9 Å²	9	47 Å²	47	5%	0.046	26%	0.261	C	S	.	.	H	α-helix	trans	-63	-50	-163.7	-64.3	162.1	0	0	0	110.5	N608 V612 L618 A619 H622 S624 H630	N608-I626 WeakPolarHBondContact OD1-CB 3.38Å; N608-I626 PolarHBondContact OD1-N 3.29Å; V612-I626 HydrophobicContact CG2-CD1 3.48Å; V612-I626 VanDerWaalsContact CG2-CD1 3.48Å; L618-I626 HydrophobicContact CB-CG2 3.72Å; A619-I626 HydrophobicContact CB-CD1 3.91Å; H622-I626 HydrophobicContact CB-CB 4.47Å; H622-I626 HydrophobicContact CB-CG1 4.26Å; H622-I626 HydrophobicContact CB-CG2 4.43Å; H622-I626 PolarHBondContact CD2-O 3.31Å; S624-I626 PolarHBondContact O-N 2.88Å; I626-H630 PolarHBondContact O-N 3.02Å
627	L	97.3	Very high	94.7	Very high	4 Å²	4	46.9 Å²	46.9	2%	0.021	26%	0.259	C	S	.	.	H	α-helix	trans	-73.3	-39.3	-178.9	-68.1	170.8	0	0	0	111.5	T606 N608 Q611 L618 R629 H630 H631	T606-L627 WeakPolarHBondContact O-CD1 3.32Å; N608-L627 WeakPolarHBondContact OD1-CB 3.01Å; N608-L627 VanDerWaalsContact OD1-CG 3.27Å; N608-L627 WeakPolarHBondContact OD1-CG 3.41Å; N608-L627 PolarHBondContact OD1-N 3.47Å; Q611-L627 HydrophobicContact CG-CD1 4.38Å; Q611-L627 HydrophobicContact CG-CD2 4.12Å; Q611-L627 HydrophobicContact CG-CG 4.25Å; L618-L627 HydrophobicContact CD1-CD2 4.44Å; L627-R629 VanDerWaalsContact C-N 3.27Å; L627-R629 PolarHBondContact O-N 3.48Å; L627-H630 CarbonylContact O-C 3.59Å; L627-H630 WeakPolarHBondContact O-CA 3.43Å; L627-H630 VanDerWaalsContact O-CB 3.31Å; L627-H630 WeakPolarHBondContact O-CB 3.49Å; L627-H630 PolarHBondContact O-N 3.14Å; L627-H631 VanDerWaalsContact C-CD2 3.47Å; L627-H631 PolarHBondContact O-CD2 3.18Å; L627-H631 PolarHBondContact O-N 2.71Å; L627-H631 PolarHBondContact O-NE2 3.24Å
628	E	97.9	Very high	94.7	Very high	24 Å²	24	42.4 Å²	42.4	11%	0.112	23%	0.229	C	C	.	.	H	α-helix	trans	-62	-37.2	178.9	-60.6	77.6	-172.8	0	0	111.6	N608 S625 L632 I666 D670	N608-E628 PolarHBondContact ND2-OE1 3.01Å; N608-E628 PolarHBondContact ND2-OE2 3.31Å; S625-E628 WeakPolarHBondContact CA-OE2 3.41Å; S625-E628 WeakPolarHBondContact CB-OE2 3.34Å; E628-L632 WeakPolarHBondContact O-CB 3.39Å; E628-L632 PolarHBondContact O-N 3.09Å; E628-I666 WeakPolarHBondContact O-CG2 3.45Å; E628-D670 HydrophobicContact CG-CB 4.1Å
629	R	97.1	Very high	94.9	Very high	93 Å²	93	42 Å²	42	35%	0.351	23%	0.227	S	C	.	.	H	α-helix	trans	-68.6	-36.8	172.4	-73	176	-176	-75.6	-4.2	112.8	S624 S625 L627 L632 E633	S624-R629 VanDerWaalsContact O-CD 3.26Å; S624-R629 WeakPolarHBondContact O-CD 3.43Å; S624-R629 PolarHBondContact O-NE 3.34Å; S625-R629 WeakPolarHBondContact O-CB 3.5Å; S625-R629 VanDerWaalsContact O-CG 3.28Å; S625-R629 WeakPolarHBondContact O-CG 3.36Å; S625-R629 PolarHBondContact O-N 3.37Å; L627-R629 VanDerWaalsContact C-N 3.27Å; L627-R629 PolarHBondContact O-N 3.48Å; R629-L632 PolarHBondContact O-N 3.03Å; R629-E633 WeakPolarHBondContact O-CB 3.4Å; R629-E633 PolarHBondContact O-N 3.29Å
630	H	97.3	Very high	94.9	Very high	20 Å²	20	44.9 Å²	44.9	9%	0.093	25%	0.246	C	C	.	.	H	α-helix	trans	-63.6	-46.4	173.8	172.9	72.1	0	0	0	111.3	D602 L618 I626 L627 L632 E633 F634	D602-H630 IonicContact OD2-CD2 2.84Å; D602-H630 IonicContact OD2-CE1 2.89Å; D602-H630 PolarHBondContact OD2-CE1 2.88Å; D602-H630 IonicContact OD2-NE2 2.65Å; D602-H630 PolarHBondContact OD2-NE2 2.99Å; L618-H630 HydrophobicContact CD1-CB 4.39Å; L618-H630 HydrophobicContact CD2-CB 4.28Å; I626-H630 PolarHBondContact O-N 3.02Å; L627-H630 CarbonylContact O-C 3.59Å; L627-H630 WeakPolarHBondContact O-CA 3.43Å; L627-H630 VanDerWaalsContact O-CB 3.31Å; L627-H630 WeakPolarHBondContact O-CB 3.49Å; L627-H630 PolarHBondContact O-N 3.14Å; H630-L632 VanDerWaalsContact C-N 3.27Å; H630-L632 PolarHBondContact O-N 2.87Å; H630-E633 PolarHBondContact O-N 3.41Å; H630-F634 WeakPolarHBondContact O-CB 3.5Å; H630-F634 PolarHBondContact O-N 3.48Å
631	H	97.9	Very high	95.1	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-58.2	-42.4	175.6	-55.1	-35.7	0	0	0	111.3	H599 D600 I601 H603 L627 G635 I666	H599-H631 WeakPolarHBondContact O-CB 3.49Å; H599-H631 PolarHBondContact O-CD2 2.94Å; D600-H631 IonicContact OD1-CD2 2.67Å; D600-H631 IonicContact OD1-NE2 3.12Å; I601-H631 HydrophobicContact CG2-CB 4.33Å; I601-H631 PolarHBondContact O-CE1 2.94Å; I601-H631 PolarHBondContact O-ND1 3.2Å; H603-H631 AromaticContact CD2-NE2 3.72Å; L627-H631 VanDerWaalsContact C-CD2 3.47Å; L627-H631 PolarHBondContact O-CD2 3.18Å; L627-H631 PolarHBondContact O-N 2.71Å; L627-H631 PolarHBondContact O-NE2 3.24Å; H631-G635 PolarHBondContact O-N 3.12Å; H631-I666 HydrophobicContact CB-CG2 4.28Å
632	L	97.4	Very high	95.2	Very high	12 Å²	12	40.4 Å²	40.4	6%	0.063	23%	0.226	C	C	.	.	H	α-helix	trans	-64.6	-48.1	176.2	-179	64	0	0	0	112.9	E628 R629 H630 F634 G635 K636 T662 D663 I666 I667	E628-L632 WeakPolarHBondContact O-CB 3.39Å; E628-L632 PolarHBondContact O-N 3.09Å; R629-L632 PolarHBondContact O-N 3.03Å; H630-L632 VanDerWaalsContact C-N 3.27Å; H630-L632 PolarHBondContact O-N 2.87Å; L632-F634 VanDerWaalsContact C-N 3.3Å; L632-F634 PolarHBondContact O-N 2.87Å; L632-G635 PolarHBondContact O-N 3.43Å; L632-K636 HydrophobicContact CG-CD 4.45Å; L632-K636 WeakPolarHBondContact O-CG 3.47Å; L632-K636 PolarHBondContact O-N 3.23Å; L632-T662 HydrophobicContact CD1-CG2 4.12Å; L632-D663 WeakPolarHBondContact CD1-OD1 3.42Å; L632-D663 HydrophobicContact CD2-CB 3.98Å; L632-I666 HydrophobicContact CB-CG2 4.2Å; L632-I666 HydrophobicContact CD1-CB 4.46Å; L632-I666 HydrophobicContact CD1-CD1 3.96Å; L632-I667 HydrophobicContact CD2-CD1 4.12Å; L632-I667 HydrophobicContact CD2-CG1 4.36Å
633	E	96.3	Very high	95.3	Very high	80 Å²	80	40.8 Å²	40.8	37%	0.374	23%	0.231	S	C	.	.	H	α-helix	trans	-60.8	-42.5	178.2	-174.6	173.3	-174.9	0	0	110.7	R629 H630 K636 F637	R629-E633 WeakPolarHBondContact O-CB 3.4Å; R629-E633 PolarHBondContact O-N 3.29Å; H630-E633 PolarHBondContact O-N 3.41Å; E633-K636 PolarHBondContact O-N 3.15Å; E633-F637 VanDerWaalsContact O-CB 3.31Å; E633-F637 WeakPolarHBondContact O-CB 3.3Å; E633-F637 PolarHBondContact O-N 3.46Å
634	F	96.4	Very high	95.9	Very high	22 Å²	22	36.8 Å²	36.8	10%	0.096	19%	0.19	C	C	.	.	H	α-helix	trans	-65.1	-42.1	176.7	-161.8	-87.5	0	0	0	112.4	V453 V457 I601 H630 L632 F637 L638	V453-F634 HydrophobicContact CG1-CE2 3.93Å; V453-F634 HydrophobicContact CG1-CZ 4.2Å; V457-F634 HydrophobicContact CG1-CE1 4.42Å; V457-F634 HydrophobicContact CG1-CZ 4.48Å; V457-F634 HydrophobicContact CG2-CZ 4.17Å; I601-F634 HydrophobicContact CD1-CD1 3.79Å; I601-F634 HydrophobicContact CD1-CE1 3.85Å; I601-F634 HydrophobicContact CG1-CD1 3.91Å; I601-F634 HydrophobicContact CG1-CE1 4.04Å; I601-F634 HydrophobicContact CG2-CB 4.12Å; I601-F634 HydrophobicContact CG2-CD1 3.81Å; I601-F634 HydrophobicContact CG2-CG 4.34Å; H630-F634 WeakPolarHBondContact O-CB 3.5Å; H630-F634 PolarHBondContact O-N 3.48Å; L632-F634 VanDerWaalsContact C-N 3.3Å; L632-F634 PolarHBondContact O-N 2.87Å; F634-F637 WeakPolarHBondContact O-CB 3.46Å; F634-F637 PolarHBondContact O-N 3.37Å; F634-L638 HydrophobicContact CD1-CD1 4.15Å; F634-L638 HydrophobicContact CD1-CG 4.23Å; F634-L638 HydrophobicContact CE1-CD1 3.94Å; F634-L638 HydrophobicContact CE1-CD2 4.29Å; F634-L638 HydrophobicContact CE1-CG 4.07Å; F634-L638 WeakPolarHBondContact O-CG 3.42Å; F634-L638 PolarHBondContact O-N 3.07Å
635	G	96.6	Very high	96.2	Very high	2 Å²	2	35.4 Å²	35.4	2%	0.021	18%	0.178	C	C	.	.	H	α-helix	trans	-62.3	-42.7	174.8	0	0	0	0	0	112.7	H631 L632 L638 L639	H631-G635 PolarHBondContact O-N 3.12Å; L632-G635 PolarHBondContact O-N 3.43Å; G635-L638 PolarHBondContact O-N 3.34Å; G635-L639 WeakPolarHBondContact O-CG 3.29Å; G635-L639 PolarHBondContact O-N 2.9Å; G635-L639 VanDerWaalsContact O-N 3.09Å
636	K	96.1	Very high	96.3	Very high	71 Å²	71	35.1 Å²	35.1	31%	0.309	18%	0.176	S	C	.	.	H	α-helix	trans	-65.2	-39.1	174.1	-71.5	-179.7	-174.2	-173.4	0	112.2	L632 E633 L639 S640 D663	L632-K636 HydrophobicContact CG-CD 4.45Å; L632-K636 WeakPolarHBondContact O-CG 3.47Å; L632-K636 PolarHBondContact O-N 3.23Å; E633-K636 PolarHBondContact O-N 3.15Å; K636-L639 CarbonylContact O-C 3.59Å; K636-L639 PolarHBondContact O-N 3.17Å; K636-S640 PolarHBondContact O-N 3.11Å; K636-D663 WeakPolarHBondContact CE-OD1 3.23Å; K636-D663 IonicContact NZ-OD1 2.82Å; K636-D663 PolarHBondContact NZ-OD1 3.24Å; K636-D663 IonicContact NZ-OD2 3.87Å; K636-D663 PolarHBondContact NZ-OD2 2.89Å
637	F	95.3	Very high	96.4	Very high	36 Å²	36	34.9 Å²	34.9	16%	0.158	17%	0.174	C	C	.	.	H	α-helix	trans	-59.5	-46.9	175.2	171.1	-113.1	0	0	0	111.4	Q450 L454 E633 F634 L639 S640	Q450-F637 HydrophobicContact CB-CE2 3.9Å; Q450-F637 HydrophobicContact CB-CZ 3.86Å; Q450-F637 WeakPolarHBondContact O-CZ 3.45Å; L454-F637 HydrophobicContact CB-CE1 3.86Å; L454-F637 HydrophobicContact CB-CZ 3.69Å; L454-F637 HydrophobicContact CD1-CE1 4.26Å; L454-F637 HydrophobicContact CD2-CZ 4.33Å; L454-F637 HydrophobicContact CG-CZ 4.41Å; E633-F637 VanDerWaalsContact O-CB 3.31Å; E633-F637 WeakPolarHBondContact O-CB 3.3Å; E633-F637 PolarHBondContact O-N 3.46Å; F634-F637 WeakPolarHBondContact O-CB 3.46Å; F634-F637 PolarHBondContact O-N 3.37Å; F637-L639 PolarHBondContact O-N 2.87Å; F637-S640 WeakPolarHBondContact O-CB 3.49Å; F637-S640 PolarHBondContact O-N 3.06Å; F637-S640 VanDerWaalsContact O-N 3.16Å; F637-S640 PolarHBondContact O-OG 2.78Å
638	L	96.1	Very high	96.3	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-60.4	-43.4	174.5	-68.8	-178.1	0	0	0	112.5	L454 V457 I601 F634 G635 S640 D641 L644	L454-L638 HydrophobicContact CD1-CD2 3.81Å; V457-L638 HydrophobicContact CG1-CD2 3.98Å; I601-L638 HydrophobicContact CD1-CD1 3.64Å; F634-L638 HydrophobicContact CD1-CD1 4.15Å; F634-L638 HydrophobicContact CD1-CG 4.23Å; F634-L638 HydrophobicContact CE1-CD1 3.94Å; F634-L638 HydrophobicContact CE1-CD2 4.29Å; F634-L638 HydrophobicContact CE1-CG 4.07Å; F634-L638 WeakPolarHBondContact O-CG 3.42Å; F634-L638 PolarHBondContact O-N 3.07Å; G635-L638 PolarHBondContact O-N 3.34Å; L638-S640 PolarHBondContact O-N 3.01Å; L638-D641 PolarHBondContact O-N 3.35Å; L638-L644 HydrophobicContact CD2-CD1 4.24Å; L638-L644 WeakPolarHBondContact O-CB 3.38Å
639	L	95.9	Very high	96.3	Very high	11 Å²	11	41.4 Å²	41.4	6%	0.058	21%	0.207	C	C	.	.	H	α-helix	trans	-74.2	-7.1	179.6	-69.5	166.9	0	0	0	113.7	F545 L598 G635 K636 F637 N645 I646 Y647	F545-L639 HydrophobicContact CD2-CD2 4.02Å; F545-L639 HydrophobicContact CE2-CD2 3.69Å; F545-L639 HydrophobicContact CE2-CG 4.25Å; F545-L639 HydrophobicContact CZ-CD2 4.47Å; L598-L639 HydrophobicContact CD1-CD1 4.34Å; G635-L639 WeakPolarHBondContact O-CG 3.29Å; G635-L639 PolarHBondContact O-N 2.9Å; G635-L639 VanDerWaalsContact O-N 3.09Å; K636-L639 CarbonylContact O-C 3.59Å; K636-L639 PolarHBondContact O-N 3.17Å; F637-L639 PolarHBondContact O-N 2.87Å; L639-N645 VanDerWaalsContact O-CB 3.3Å; L639-N645 WeakPolarHBondContact O-CB 3.4Å; L639-N645 PolarHBondContact O-ND2 3.12Å; L639-I646 HydrophobicContact CD2-CG1 4.12Å; L639-Y647 HydrophobicContact CD1-CD2 4.42Å; L639-Y647 HydrophobicContact CD1-CE2 3.86Å; L639-Y647 HydrophobicContact CD2-CD2 4.44Å; L639-Y647 HydrophobicContact CD2-CE2 4.3Å
640	S	94	Very high	96.3	Very high	87 Å²	87	37.9 Å²	37.9	61%	0.608	20%	0.195	S	C	*	.	H	α-helix	trans	-81.2	-21.6	175.3	76.1	0	0	0	0	112.8	K636 F637 L638	K636-S640 PolarHBondContact O-N 3.11Å; F637-S640 WeakPolarHBondContact O-CB 3.49Å; F637-S640 PolarHBondContact O-N 3.06Å; F637-S640 VanDerWaalsContact O-N 3.16Å; F637-S640 PolarHBondContact O-OG 2.78Å; L638-S640 PolarHBondContact O-N 3.01Å
641	D	95.3	Very high	96.3	Very high	32 Å²	32	41.1 Å²	41.1	17%	0.171	21%	0.213	C	C	.	.	S	Bend	trans	-75.5	125.6	171.2	-179.9	-75.9	0	0	0	110	L454 K458 L638 S643 L644 N645	L454-D641 HydrophobicContact CD2-CB 4.1Å; K458-D641 VanDerWaalsContact NZ-CG 3.33Å; K458-D641 IonicContact NZ-OD1 2.6Å; K458-D641 PolarHBondContact NZ-OD1 2.81Å; K458-D641 IonicContact NZ-OD2 3.62Å; K458-D641 PolarHBondContact NZ-OD2 3.22Å; L638-D641 PolarHBondContact O-N 3.35Å; D641-S643 VanDerWaalsContact C-N 3.28Å; D641-S643 PolarHBondContact O-N 2.83Å; D641-S643 WeakPolarHBondContact OD1-CA 3.4Å; D641-S643 WeakPolarHBondContact OD1-CB 3.26Å; D641-S643 PolarHBondContact OD1-N 3.11Å; D641-S643 PolarHBondContact OD1-OG 2.94Å; D641-L644 HydrophobicContact CB-CB 4.37Å; D641-L644 HydrophobicContact CB-CD1 4.27Å; D641-L644 HydrophobicContact CB-CG 4.37Å; D641-L644 PolarHBondContact O-N 3.13Å; D641-L644 PolarHBondContact OD1-N 2.98Å; D641-N645 WeakPolarHBondContact O-CB 3.38Å; D641-N645 PolarHBondContact O-N 3.21Å
642	E	93.5	Very high	96.2	Very high	157 Å²	157	49.7 Å²	49.7	73%	0.734	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-56.7	-40	-175.8	-170.9	174.5	-174.6	0	0	112.6	L644 N645 Q648	E642-L644 PolarHBondContact O-N 3.33Å; E642-N645 PolarHBondContact O-N 3.39Å; E642-Q648 PolarHBondContact O-OE1 2.91Å
643	S	94	Very high	96.3	Very high	35 Å²	35	59.3 Å²	59.3	25%	0.245	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-76.6	-6.5	-178.4	72.7	0	0	0	0	114.6	K458 D641	K458-S643 WeakPolarHBondContact CE-OG 3.43Å; K458-S643 PolarHBondContact NZ-OG 2.98Å; D641-S643 VanDerWaalsContact C-N 3.28Å; D641-S643 PolarHBondContact O-N 2.83Å; D641-S643 WeakPolarHBondContact OD1-CA 3.4Å; D641-S643 WeakPolarHBondContact OD1-CB 3.26Å; D641-S643 PolarHBondContact OD1-N 3.11Å; D641-S643 PolarHBondContact OD1-OG 2.94Å
644	L	96.8	Very high	96.4	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-110.9	-11.6	174.2	-63.3	-179.8	0	0	0	112.4	L454 K458 R544 S548 L638 D641 E642 I646	L454-L644 HydrophobicContact CD1-CD1 3.95Å; K458-L644 HydrophobicContact CD-CD1 4.49Å; K458-L644 HydrophobicContact CG-CD1 4.28Å; K458-L644 HydrophobicContact CG-CD2 4.33Å; R544-L644 HydrophobicContact CB-CD2 4.19Å; R544-L644 HydrophobicContact CG-CD2 3.66Å; S548-L644 WeakPolarHBondContact OG-CD2 3.46Å; L638-L644 HydrophobicContact CD2-CD1 4.24Å; L638-L644 WeakPolarHBondContact O-CB 3.38Å; D641-L644 HydrophobicContact CB-CB 4.37Å; D641-L644 HydrophobicContact CB-CD1 4.27Å; D641-L644 HydrophobicContact CB-CG 4.37Å; D641-L644 PolarHBondContact O-N 3.13Å; D641-L644 PolarHBondContact OD1-N 2.98Å; E642-L644 PolarHBondContact O-N 3.33Å; L644-I646 PolarHBondContact O-N 3.44Å; L644-I646 VanDerWaalsContact O-N 3.09Å
645	N	97.6	Very high	96.4	Very high	37 Å²	37	58.8 Å²	58.8	20%	0.198	28%	0.281	C	S	.	.			trans	-81.7	92.2	-171	-172.8	3	0	0	0	112.3	L639 D641 E642 Y647 Q648	L639-N645 VanDerWaalsContact O-CB 3.3Å; L639-N645 WeakPolarHBondContact O-CB 3.4Å; L639-N645 PolarHBondContact O-ND2 3.12Å; D641-N645 WeakPolarHBondContact O-CB 3.38Å; D641-N645 PolarHBondContact O-N 3.21Å; E642-N645 PolarHBondContact O-N 3.39Å; N645-Y647 PolarHBondContact O-N 2.93Å; N645-Y647 WeakPolarHBondContact OD1-CA 3.32Å; N645-Y647 WeakPolarHBondContact OD1-CB 3.43Å; N645-Y647 PolarHBondContact OD1-N 3.36Å; N645-Q648 WeakPolarHBondContact O-CB 3.48Å; N645-Q648 WeakPolarHBondContact O-CG 3.41Å; N645-Q648 PolarHBondContact O-N 3.49Å; N645-Q648 VanDerWaalsContact O-N 3.16Å
646	I	98	Very high	96.4	Very high	4 Å²	4	62.2 Å²	62.2	2%	0.021	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-4.7	174.5	60.9	167.3	0	0	0	114.4	Y526 I537 V541 L542 F545 T594 L639 L644	Y526-I646 HydrophobicContact CE1-CD1 4.08Å; I537-I646 HydrophobicContact CG2-CB 3.97Å; I537-I646 HydrophobicContact CG2-CG2 4.15Å; V541-I646 HydrophobicContact CG1-CG2 4.12Å; L542-I646 HydrophobicContact CD1-CG2 4.22Å; F545-I646 HydrophobicContact CB-CG2 3.84Å; F545-I646 HydrophobicContact CD1-CD1 4.27Å; F545-I646 HydrophobicContact CD1-CG2 4.14Å; F545-I646 HydrophobicContact CE1-CD1 4.16Å; F545-I646 HydrophobicContact CG-CG2 3.96Å; T594-I646 HydrophobicContact CG2-CD1 4.35Å; L639-I646 HydrophobicContact CD2-CG1 4.12Å; L644-I646 PolarHBondContact O-N 3.44Å; L644-I646 VanDerWaalsContact O-N 3.09Å
647	Y	97.6	Very high	96.5	Very high	4 Å²	4	62.2 Å²	62.2	2%	0.016	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	5.3	178.7	-53.6	-41	0	0	0	113.9	M590 T594 L639 N645 N649 L650 V658	M590-Y647 HydrophobicContact CE-CD1 3.75Å; M590-Y647 HydrophobicContact CE-CE1 3.57Å; M590-Y647 HydrophobicContact CG-CE1 4.23Å; M590-Y647 HydrophobicContact SD-CD1 4.43Å; M590-Y647 HydrophobicContact SD-CE1 4Å; T594-Y647 WeakPolarHBondContact CB-OH 3.32Å; T594-Y647 WeakPolarHBondContact CG2-OH 3.45Å; T594-Y647 PolarHBondContact OG1-OH 3.05Å; L639-Y647 HydrophobicContact CD1-CD2 4.42Å; L639-Y647 HydrophobicContact CD1-CE2 3.86Å; L639-Y647 HydrophobicContact CD2-CD2 4.44Å; L639-Y647 HydrophobicContact CD2-CE2 4.3Å; N645-Y647 PolarHBondContact O-N 2.93Å; N645-Y647 WeakPolarHBondContact OD1-CA 3.32Å; N645-Y647 WeakPolarHBondContact OD1-CB 3.43Å; N645-Y647 PolarHBondContact OD1-N 3.36Å; Y647-N649 PolarHBondContact O-N 2.84Å; Y647-N649 VanDerWaalsContact O-N 3.12Å; Y647-L650 HydrophobicContact CD1-CD1 3.82Å; Y647-L650 HydrophobicContact CG-CD1 4.14Å; Y647-L650 WeakPolarHBondContact O-CB 3.31Å; Y647-L650 PolarHBondContact O-N 3.13Å; Y647-V658 HydrophobicContact CD1-CG1 4.41Å; Y647-V658 HydrophobicContact CD2-CG1 4.18Å; Y647-V658 HydrophobicContact CE1-CG1 3.86Å; Y647-V658 HydrophobicContact CE2-CG1 3.56Å; Y647-V658 WeakPolarHBondContact OH-CG1 3.25Å
648	Q	95.8	Very high	96.6	Very high	74 Å²	74	60.5 Å²	60.5	35%	0.346	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-30.1	-174.5	65.8	-179.7	39.7	0	0	114.9	P538 E642 N645	P538-Q648 VanDerWaalsContact CG-NE2 3.3Å; E642-Q648 PolarHBondContact O-OE1 2.91Å; N645-Q648 WeakPolarHBondContact O-CB 3.48Å; N645-Q648 WeakPolarHBondContact O-CG 3.41Å; N645-Q648 PolarHBondContact O-N 3.49Å; N645-Q648 VanDerWaalsContact O-N 3.16Å
649	N	96.9	Very high	96.6	Very high	90 Å²	90	62.5 Å²	62.5	48%	0.481	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	1.3	-179.4	-69.6	-16.7	0	0	0	113.5	Q536 Y647	Q536-N649 PolarHBondContact O-ND2 3.42Å; Y647-N649 PolarHBondContact O-N 2.84Å; Y647-N649 VanDerWaalsContact O-N 3.12Å
650	L	97.5	Very high	96.7	Very high	19 Å²	19	65.9 Å²	65.9	10%	0.099	32%	0.318	C	S	.	.	S	Bend	trans	-82	150.9	175.5	-61.5	-174.3	0	0	0	111.3	F535 L587 M590 Y647 Q654 V655 V658	F535-L650 HydrophobicContact CB-CD2 3.92Å; F535-L650 HydrophobicContact CD1-CD2 3.48Å; F535-L650 VanDerWaalsContact CD1-CD2 3.48Å; F535-L650 HydrophobicContact CE1-CD2 4.19Å; F535-L650 HydrophobicContact CG-CD2 3.84Å; L587-L650 HydrophobicContact CD1-CD1 3.83Å; L587-L650 HydrophobicContact CD1-CD2 4.43Å; M590-L650 HydrophobicContact CE-CD1 4.06Å; Y647-L650 HydrophobicContact CD1-CD1 3.82Å; Y647-L650 HydrophobicContact CG-CD1 4.14Å; Y647-L650 WeakPolarHBondContact O-CB 3.31Å; Y647-L650 PolarHBondContact O-N 3.13Å; L650-Q654 HydrophobicContact CB-CB 4.04Å; L650-Q654 HydrophobicContact CD1-CB 4.29Å; L650-V655 HydrophobicContact CB-CG2 3.76Å; L650-V658 HydrophobicContact CD1-CG2 4.41Å
651	N	97.5	Very high	96.9	Very high	88 Å²	88	62 Å²	62	47%	0.471	29%	0.291	S	S	.	.			trans	-74.7	161.3	170.5	70.9	53.4	0	0	0	111.4	R653 Q654 V655	N651-R653 VanDerWaalsContact C-N 3.28Å; N651-R653 PolarHBondContact O-N 3.2Å; N651-R653 VanDerWaalsContact O-N 3.14Å; N651-R653 WeakPolarHBondContact OD1-CB 3.3Å; N651-R653 PolarHBondContact OD1-N 3.2Å; N651-R653 VanDerWaalsContact OD1-N 3.16Å; N651-Q654 VanDerWaalsContact CG-OE1 3.28Å; N651-Q654 VanDerWaalsContact ND2-CD 3.34Å; N651-Q654 PolarHBondContact ND2-OE1 2.79Å; N651-Q654 VanDerWaalsContact ND2-OE1 3.09Å; N651-Q654 WeakPolarHBondContact O-CB 3.3Å; N651-Q654 PolarHBondContact O-N 3.47Å; N651-Q654 WeakPolarHBondContact OD1-CG 3.3Å; N651-Q654 PolarHBondContact OD1-N 3.3Å; N651-V655 PolarHBondContact O-N 3.38Å
652	R	96.7	Very high	97	Very high	181 Å²	181	60.8 Å²	60.8	68%	0.683	28%	0.284	S	S	*	.	H	α-helix	trans	-52.4	-42.3	-175.6	-178	62.7	-166.3	-164.8	7.4	113.9	Q654 V655 D656	R652-Q654 VanDerWaalsContact C-N 3.34Å; R652-Q654 PolarHBondContact O-N 3.22Å; R652-V655 PolarHBondContact O-N 3.36Å; R652-D656 IonicContact CZ-OD1 2.98Å; R652-D656 IonicContact CZ-OD2 3.51Å; R652-D656 IonicContact NE-OD1 3.79Å; R652-D656 PolarHBondContact NE-OD1 3.06Å; R652-D656 IonicContact NE-OD2 3.41Å; R652-D656 PolarHBondContact NE-OD2 3.39Å; R652-D656 VanDerWaalsContact NE-OD2 3.09Å; R652-D656 IonicContact NH2-OD1 3.82Å; R652-D656 PolarHBondContact NH2-OD1 3.05Å; R652-D656 IonicContact NH2-OD2 3.15Å; R652-D656 PolarHBondContact O-N 3.02Å
653	R	97.9	Very high	97.1	Very high	214 Å²	214	55.3 Å²	55.3	81%	0.808	26%	0.26	S	S	*	.	H	α-helix	trans	-65.8	-37.5	-179.3	-169.1	179.5	-161.2	150.5	5.7	112.1	N651 H657	N651-R653 VanDerWaalsContact C-N 3.28Å; N651-R653 PolarHBondContact O-N 3.2Å; N651-R653 VanDerWaalsContact O-N 3.14Å; N651-R653 WeakPolarHBondContact OD1-CB 3.3Å; N651-R653 PolarHBondContact OD1-N 3.2Å; N651-R653 VanDerWaalsContact OD1-N 3.16Å; R653-H657 VanDerWaalsContact O-CB 3.31Å; R653-H657 WeakPolarHBondContact O-CB 3.16Å; R653-H657 PolarHBondContact O-N 3.42Å; R653-H657 VanDerWaalsContact O-N 3.09Å
654	Q	97.9	Very high	97.3	Very high	56 Å²	56	55.6 Å²	55.6	26%	0.262	26%	0.258	S	S	.	.	H	α-helix	trans	-68.8	-43.3	175.6	-69.8	170.6	-42.6	0	0	111	L587 L650 N651 R652 H657 V658	L587-Q654 HydrophobicContact CD2-CB 3.88Å; L587-Q654 HydrophobicContact CD2-CG 3.88Å; L650-Q654 HydrophobicContact CB-CB 4.04Å; L650-Q654 HydrophobicContact CD1-CB 4.29Å; N651-Q654 VanDerWaalsContact CG-OE1 3.28Å; N651-Q654 VanDerWaalsContact ND2-CD 3.34Å; N651-Q654 PolarHBondContact ND2-OE1 2.79Å; N651-Q654 VanDerWaalsContact ND2-OE1 3.09Å; N651-Q654 WeakPolarHBondContact O-CB 3.3Å; N651-Q654 PolarHBondContact O-N 3.47Å; N651-Q654 WeakPolarHBondContact OD1-CG 3.3Å; N651-Q654 PolarHBondContact OD1-N 3.3Å; R652-Q654 VanDerWaalsContact C-N 3.34Å; R652-Q654 PolarHBondContact O-N 3.22Å; Q654-H657 PolarHBondContact O-N 3.05Å; Q654-V658 WeakPolarHBondContact O-CG2 3.3Å; Q654-V658 PolarHBondContact O-N 3.32Å
655	V	97.4	Very high	97.3	Very high	35 Å²	35	55.6 Å²	55.6	21%	0.212	26%	0.258	C	S	.	.	H	α-helix	trans	-59.2	-52.3	175.6	176.3	0	0	0	0	110.6	L650 N651 R652 H657 V658 I659	L650-V655 HydrophobicContact CB-CG2 3.76Å; N651-V655 PolarHBondContact O-N 3.38Å; R652-V655 PolarHBondContact O-N 3.36Å; V655-H657 PolarHBondContact O-N 3.07Å; V655-V658 PolarHBondContact O-N 3.31Å; V655-I659 HydrophobicContact CG1-CG1 4.27Å; V655-I659 VanDerWaalsContact O-CG1 3.31Å; V655-I659 WeakPolarHBondContact O-CG1 3.25Å; V655-I659 PolarHBondContact O-N 2.91Å
656	D	97.3	Very high	97.3	Very high	75 Å²	75	53.8 Å²	53.8	40%	0.401	25%	0.249	S	C	.	.	H	α-helix	trans	-58.2	-38.1	179.2	-69	-31.7	0	0	0	111.3	R652 H660	R652-D656 IonicContact CZ-OD1 2.98Å; R652-D656 IonicContact CZ-OD2 3.51Å; R652-D656 IonicContact NE-OD1 3.79Å; R652-D656 PolarHBondContact NE-OD1 3.06Å; R652-D656 IonicContact NE-OD2 3.41Å; R652-D656 PolarHBondContact NE-OD2 3.39Å; R652-D656 VanDerWaalsContact NE-OD2 3.09Å; R652-D656 IonicContact NH2-OD1 3.82Å; R652-D656 PolarHBondContact NH2-OD1 3.05Å; R652-D656 IonicContact NH2-OD2 3.15Å; R652-D656 PolarHBondContact O-N 3.02Å; D656-H660 WeakPolarHBondContact O-CB 2.99Å; D656-H660 PolarHBondContact O-N 3.28Å; D656-H660 VanDerWaalsContact O-N 3.07Å
657	H	97.3	Very high	97.2	Very high	71 Å²	71	55.2 Å²	55.2	33%	0.329	26%	0.256	S	S	.	.	H	α-helix	trans	-69.1	-44.7	177.4	-173.3	50.7	0	0	0	113.1	R653 Q654 V655 H660 L661	R653-H657 VanDerWaalsContact O-CB 3.31Å; R653-H657 WeakPolarHBondContact O-CB 3.16Å; R653-H657 PolarHBondContact O-N 3.42Å; R653-H657 VanDerWaalsContact O-N 3.09Å; Q654-H657 PolarHBondContact O-N 3.05Å; V655-H657 PolarHBondContact O-N 3.07Å; H657-H660 PolarHBondContact O-N 3.18Å; H657-L661 WeakPolarHBondContact O-CG 3.42Å; H657-L661 PolarHBondContact O-N 2.88Å
658	V	97.1	Very high	97.1	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-62.7	-45.1	177.7	167.1	0	0	0	0	110.7	L587 A591 Y647 L650 Q654 V655 H660 L661 T662	L587-V658 HydrophobicContact CD1-CG2 3.3Å; L587-V658 HydrophobicContact CD2-CG2 4.1Å; L587-V658 HydrophobicContact CG-CG2 3.52Å; A591-V658 HydrophobicContact CB-CB 4.44Å; A591-V658 HydrophobicContact CB-CG1 3.89Å; A591-V658 HydrophobicContact CB-CG2 4.41Å; Y647-V658 HydrophobicContact CD1-CG1 4.41Å; Y647-V658 HydrophobicContact CD2-CG1 4.18Å; Y647-V658 HydrophobicContact CE1-CG1 3.86Å; Y647-V658 HydrophobicContact CE2-CG1 3.56Å; Y647-V658 WeakPolarHBondContact OH-CG1 3.25Å; L650-V658 HydrophobicContact CD1-CG2 4.41Å; Q654-V658 WeakPolarHBondContact O-CG2 3.3Å; Q654-V658 PolarHBondContact O-N 3.32Å; V655-V658 PolarHBondContact O-N 3.31Å; V658-H660 PolarHBondContact O-N 3.44Å; V658-L661 PolarHBondContact O-N 2.67Å; V658-L661 VanDerWaalsContact O-N 3.17Å; V658-T662 PolarHBondContact O-N 3.29Å; V658-T662 PolarHBondContact O-OG1 2.65Å
659	I	97.3	Very high	97.2	Very high	42 Å²	42	52.4 Å²	52.4	22%	0.215	25%	0.245	C	C	.	.	H	α-helix	trans	-60.6	-45.7	177.8	-65.9	-61.6	0	0	0	110.7	V655 L661 T662 D663	V655-I659 HydrophobicContact CG1-CG1 4.27Å; V655-I659 VanDerWaalsContact O-CG1 3.31Å; V655-I659 WeakPolarHBondContact O-CG1 3.25Å; V655-I659 PolarHBondContact O-N 2.91Å; I659-L661 VanDerWaalsContact C-N 3.31Å; I659-L661 PolarHBondContact O-N 3.4Å; I659-T662 PolarHBondContact O-N 2.91Å; I659-D663 VanDerWaalsContact O-CG 3.26Å; I659-D663 PolarHBondContact O-N 3.36Å
660	H	97.4	Very high	97.1	Very high	83 Å²	83	49.3 Å²	49.3	38%	0.384	23%	0.229	S	C	.	.	H	α-helix	trans	-56.7	-42	174.7	172	77.2	0	0	0	112.9	D656 H657 V658 D663 I664 E709	D656-H660 WeakPolarHBondContact O-CB 2.99Å; D656-H660 PolarHBondContact O-N 3.28Å; D656-H660 VanDerWaalsContact O-N 3.07Å; H657-H660 PolarHBondContact O-N 3.18Å; V658-H660 PolarHBondContact O-N 3.44Å; H660-D663 WeakPolarHBondContact O-CB 3.47Å; H660-D663 PolarHBondContact O-N 3.4Å; H660-I664 VanDerWaalsContact CE1-CD1 3.45Å; H660-I664 WeakPolarHBondContact CE1-CD1 3.42Å; H660-I664 WeakPolarHBondContact NE2-CD1 3.45Å; H660-I664 WeakPolarHBondContact O-CG1 3.44Å; H660-I664 PolarHBondContact O-N 3.1Å; H660-I664 VanDerWaalsContact O-N 3.12Å; H660-E709 IonicContact CD2-OE1 3.11Å; H660-E709 IonicContact CE1-OE1 2.67Å; H660-E709 IonicContact NE2-OE1 3.21Å; H660-E709 PolarHBondContact NE2-OE1 2.88Å
661	L	97.5	Very high	96.9	Very high	6 Å²	6	51.1 Å²	51.1	3%	0.031	24%	0.238	C	C	.	.	H	α-helix	trans	-69.6	-40.2	178.3	-67.1	171.8	0	0	0	112.5	E588 A591 H657 V658 I659 D663 I664 A665 M712	E588-L661 HydrophobicContact CB-CD1 4.15Å; E588-L661 HydrophobicContact CG-CD1 3.59Å; A591-L661 HydrophobicContact CB-CB 4.08Å; A591-L661 HydrophobicContact CB-CD1 4.3Å; H657-L661 WeakPolarHBondContact O-CG 3.42Å; H657-L661 PolarHBondContact O-N 2.88Å; V658-L661 PolarHBondContact O-N 2.67Å; V658-L661 VanDerWaalsContact O-N 3.17Å; I659-L661 VanDerWaalsContact C-N 3.31Å; I659-L661 PolarHBondContact O-N 3.4Å; L661-D663 VanDerWaalsContact C-N 3.32Å; L661-I664 PolarHBondContact O-N 3.42Å; L661-A665 VanDerWaalsContact O-CB 3.27Å; L661-A665 WeakPolarHBondContact O-CB 3.49Å; L661-A665 PolarHBondContact O-N 2.93Å; L661-M712 HydrophobicContact CB-CE 4.37Å; L661-M712 HydrophobicContact CB-SD 4.4Å; L661-M712 HydrophobicContact CD2-CE 3.9Å; L661-M712 HydrophobicContact CD2-SD 4.18Å; L661-M712 WeakPolarHBondContact O-CE 3.47Å
662	T	97.3	Very high	96.6	Very high	6 Å²	6	49.6 Å²	49.6	4%	0.037	24%	0.238	C	C	.	.	H	α-helix	trans	-61.7	-41.3	174.2	-60.9	0	0	0	0	110.9	A595 L632 V658 I659 I664 A665 I666	A595-T662 HydrophobicContact CB-CG2 4.16Å; L632-T662 HydrophobicContact CD1-CG2 4.12Å; V658-T662 PolarHBondContact O-N 3.29Å; V658-T662 PolarHBondContact O-OG1 2.65Å; I659-T662 PolarHBondContact O-N 2.91Å; T662-I664 PolarHBondContact O-N 3.17Å; T662-A665 PolarHBondContact O-N 3.03Å; T662-I666 HydrophobicContact CG2-CD1 3.7Å; T662-I666 HydrophobicContact CG2-CG1 4.24Å; T662-I666 WeakPolarHBondContact O-CB 3.24Å; T662-I666 WeakPolarHBondContact O-CG1 3.43Å; T662-I666 PolarHBondContact O-N 3.25Å
663	D	97	Very high	96.3	Very high	41 Å²	41	43.4 Å²	43.4	22%	0.219	22%	0.218	C	C	.	.	H	α-helix	trans	-57.9	-49.9	175.1	-70.5	14.8	0	0	0	111.4	L632 K636 I659 H660 L661 I667	L632-D663 WeakPolarHBondContact CD1-OD1 3.42Å; L632-D663 HydrophobicContact CD2-CB 3.98Å; K636-D663 WeakPolarHBondContact CE-OD1 3.23Å; K636-D663 IonicContact NZ-OD1 2.82Å; K636-D663 PolarHBondContact NZ-OD1 3.24Å; K636-D663 IonicContact NZ-OD2 3.87Å; K636-D663 PolarHBondContact NZ-OD2 2.89Å; I659-D663 VanDerWaalsContact O-CG 3.26Å; I659-D663 PolarHBondContact O-N 3.36Å; H660-D663 WeakPolarHBondContact O-CB 3.47Å; H660-D663 PolarHBondContact O-N 3.4Å; L661-D663 VanDerWaalsContact C-N 3.32Å; D663-I667 VanDerWaalsContact O-CB 3.3Å; D663-I667 WeakPolarHBondContact O-CB 3.44Å; D663-I667 WeakPolarHBondContact O-CD1 3.44Å; D663-I667 VanDerWaalsContact O-CG1 3.23Å; D663-I667 WeakPolarHBondContact O-CG1 3.45Å; D663-I667 PolarHBondContact O-N 3.39Å
664	I	96.6	Very high	96	Very high	41 Å²	41	33.4 Å²	33.4	21%	0.21	18%	0.181	C	C	.	.	H	α-helix	trans	-62.9	-46.2	179.1	-68.6	173.3	0	0	0	110.7	H660 L661 T662 A668 E709 M712	H660-I664 VanDerWaalsContact CE1-CD1 3.45Å; H660-I664 WeakPolarHBondContact CE1-CD1 3.42Å; H660-I664 WeakPolarHBondContact NE2-CD1 3.45Å; H660-I664 WeakPolarHBondContact O-CG1 3.44Å; H660-I664 PolarHBondContact O-N 3.1Å; H660-I664 VanDerWaalsContact O-N 3.12Å; L661-I664 PolarHBondContact O-N 3.42Å; T662-I664 PolarHBondContact O-N 3.17Å; I664-A668 WeakPolarHBondContact O-CB 3.41Å; I664-A668 PolarHBondContact O-N 3.48Å; I664-E709 VanDerWaalsContact CD1-CD 3.42Å; I664-E709 HydrophobicContact CD1-CG 3.99Å; I664-E709 WeakPolarHBondContact CD1-OE1 3.41Å; I664-M712 HydrophobicContact CB-CE 3.76Å; I664-M712 HydrophobicContact CG2-CE 3.53Å
665	A	97.3	Very high	95.7	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-64.5	-48.8	-175.2	0	0	0	0	0	111.6	A595 L661 T662 A668 M712 M716	A595-A665 HydrophobicContact CB-CB 3.73Å; L661-A665 VanDerWaalsContact O-CB 3.27Å; L661-A665 WeakPolarHBondContact O-CB 3.49Å; L661-A665 PolarHBondContact O-N 2.93Å; T662-A665 PolarHBondContact O-N 3.03Å; A665-A668 PolarHBondContact O-N 3.12Å; A665-M712 HydrophobicContact CB-CE 4.28Å; A665-M712 HydrophobicContact CB-CG 4.48Å; A665-M712 HydrophobicContact CB-SD 4.35Å; A665-M716 HydrophobicContact CB-CE 3.84Å; A665-M716 WeakPolarHBondContact O-CG 3.46Å
666	I	98.2	Very high	95.2	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-67.8	-45	-179.9	-65	-179.2	0	0	0	110.7	A595 L598 H599 E628 H631 L632 T662 A668 T669	A595-I666 HydrophobicContact CB-CG1 4.09Å; L598-I666 HydrophobicContact CB-CD1 4Å; H599-I666 HydrophobicContact CB-CG1 4.31Å; E628-I666 WeakPolarHBondContact O-CG2 3.45Å; H631-I666 HydrophobicContact CB-CG2 4.28Å; L632-I666 HydrophobicContact CB-CG2 4.2Å; L632-I666 HydrophobicContact CD1-CB 4.46Å; L632-I666 HydrophobicContact CD1-CD1 3.96Å; T662-I666 HydrophobicContact CG2-CD1 3.7Å; T662-I666 HydrophobicContact CG2-CG1 4.24Å; T662-I666 WeakPolarHBondContact O-CB 3.24Å; T662-I666 WeakPolarHBondContact O-CG1 3.43Å; T662-I666 PolarHBondContact O-N 3.25Å; I666-A668 PolarHBondContact O-N 2.95Å; I666-T669 PolarHBondContact O-N 2.87Å; I666-T669 PolarHBondContact O-OG1 3.32Å
667	I	96.4	Very high	94.9	Very high	33 Å²	33	40 Å²	40	17%	0.169	20%	0.202	C	C	.	.	H	α-helix	trans	-64.7	-28.6	179.3	-66.3	169.9	0	0	0	111.5	L632 D663 T669 D670 L673	L632-I667 HydrophobicContact CD2-CD1 4.12Å; L632-I667 HydrophobicContact CD2-CG1 4.36Å; D663-I667 VanDerWaalsContact O-CB 3.3Å; D663-I667 WeakPolarHBondContact O-CB 3.44Å; D663-I667 WeakPolarHBondContact O-CD1 3.44Å; D663-I667 VanDerWaalsContact O-CG1 3.23Å; D663-I667 WeakPolarHBondContact O-CG1 3.45Å; D663-I667 PolarHBondContact O-N 3.39Å; I667-T669 PolarHBondContact O-N 3.49Å; I667-D670 PolarHBondContact O-N 3.38Å; I667-L673 HydrophobicContact CG2-CD1 3.67Å
668	A	95.6	Very high	94.7	Very high	12 Å²	12	39.6 Å²	39.6	10%	0.099	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-9.2	179.3	0	0	0	0	0	115	I664 A665 I666 D670 A713 T717	I664-A668 WeakPolarHBondContact O-CB 3.41Å; I664-A668 PolarHBondContact O-N 3.48Å; A665-A668 PolarHBondContact O-N 3.12Å; I666-A668 PolarHBondContact O-N 2.95Å; A668-D670 PolarHBondContact O-N 3.33Å; A668-A713 HydrophobicContact CB-CB 3.57Å; A668-T717 PolarHBondContact O-OG1 3.22Å
669	T	96.2	Very high	94.5	Very high	7 Å²	7	43 Å²	43	4%	0.043	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-22.8	173.1	58.7	0	0	0	0	112	H599 I666 I667 L671 M716	H599-T669 HydrophobicContact CB-CG2 4.08Å; I666-T669 PolarHBondContact O-N 2.87Å; I666-T669 PolarHBondContact O-OG1 3.32Å; I667-T669 PolarHBondContact O-N 3.49Å; T669-L671 PolarHBondContact O-N 2.9Å; T669-M716 HydrophobicContact CG2-CG 3.53Å; T669-M716 HydrophobicContact CG2-SD 4.41Å
670	D	95.9	Very high	94.3	Very high	25 Å²	25	44.5 Å²	44.5	13%	0.134	23%	0.226	C	C	.	.			trans	-61.9	112.9	173.7	-176	-8.6	0	0	0	111.2	S625 E628 I667 A668 A672 L673 Y674	S625-D670 WeakPolarHBondContact CB-OD2 3.31Å; S625-D670 PolarHBondContact OG-OD2 2.89Å; E628-D670 HydrophobicContact CG-CB 4.1Å; I667-D670 PolarHBondContact O-N 3.38Å; A668-D670 PolarHBondContact O-N 3.33Å; D670-A672 PolarHBondContact O-N 3.4Å; D670-A672 VanDerWaalsContact OD1-CB 3.26Å; D670-A672 WeakPolarHBondContact OD1-CB 3.45Å; D670-A672 PolarHBondContact OD1-N 2.83Å; D670-L673 HydrophobicContact CB-CD1 4.49Å; D670-L673 HydrophobicContact CB-CG 4.45Å; D670-L673 WeakPolarHBondContact O-CB 3.43Å; D670-L673 PolarHBondContact O-N 2.92Å; D670-Y674 PolarHBondContact O-N 2.9Å
671	L	92.1	Very high	94.3	Very high	57 Å²	57	40.5 Å²	40.5	30%	0.298	21%	0.207	S	C	.	.	H	α-helix	trans	-57.8	-24.3	179.8	-68.7	178.6	0	0	0	113.4	T669 L673 Y674 F675 T717 L721 V780	T669-L671 PolarHBondContact O-N 2.9Å; L671-L673 PolarHBondContact O-N 2.92Å; L671-Y674 HydrophobicContact CD2-CD1 4.36Å; L671-Y674 WeakPolarHBondContact O-CB 3.36Å; L671-Y674 PolarHBondContact O-N 2.97Å; L671-F675 WeakPolarHBondContact O-CD2 3.44Å; L671-F675 PolarHBondContact O-N 3.09Å; L671-T717 HydrophobicContact CD2-CG2 3.85Å; L671-L721 HydrophobicContact CD2-CD1 4.31Å; L671-V780 HydrophobicContact CD2-CG1 4.34Å
672	A	91.3	Very high	94.2	Very high	56 Å²	56	43.5 Å²	43.5	46%	0.463	22%	0.221	S	C	.	.	H	α-helix	trans	-63.6	-31	174.8	0	0	0	0	0	112.3	D670	D670-A672 PolarHBondContact O-N 3.4Å; D670-A672 VanDerWaalsContact OD1-CB 3.26Å; D670-A672 WeakPolarHBondContact OD1-CB 3.45Å; D670-A672 PolarHBondContact OD1-N 2.83Å
673	L	90.3	Very high	94.2	Very high	52 Å²	52	50.3 Å²	50.3	27%	0.272	25%	0.25	S	S	.	.	H	α-helix	trans	-83.5	-36.3	176.7	-60.9	-178.9	0	0	0	111.7	I667 D670 L671 F675 K676 K677	I667-L673 HydrophobicContact CG2-CD1 3.67Å; D670-L673 HydrophobicContact CB-CD1 4.49Å; D670-L673 HydrophobicContact CB-CG 4.45Å; D670-L673 WeakPolarHBondContact O-CB 3.43Å; D670-L673 PolarHBondContact O-N 2.92Å; L671-L673 PolarHBondContact O-N 2.92Å; L673-F675 VanDerWaalsContact C-N 3.32Å; L673-F675 PolarHBondContact O-N 3.05Å; L673-K676 WeakPolarHBondContact O-CB 3.31Å; L673-K676 PolarHBondContact O-N 2.86Å; L673-K677 WeakPolarHBondContact O-CG 3.44Å; L673-K677 PolarHBondContact O-N 2.84Å
674	Y	92.8	Very high	94.1	Very high	3 Å²	3	48.5 Å²	48.5	1%	0.012	24%	0.24	C	C	.	.	H	α-helix	trans	-49	-49.7	175.5	161	-106	0	0	0	112.6	D670 L671 K676 K677 R678 M714 T717 V780 V784	D670-Y674 PolarHBondContact O-N 2.9Å; L671-Y674 HydrophobicContact CD2-CD1 4.36Å; L671-Y674 WeakPolarHBondContact O-CB 3.36Å; L671-Y674 PolarHBondContact O-N 2.97Å; Y674-K676 PolarHBondContact O-N 2.94Å; Y674-K676 VanDerWaalsContact O-N 3.12Å; Y674-K677 PolarHBondContact O-N 3.49Å; Y674-R678 HydrophobicContact CE2-CB 4.28Å; Y674-R678 PolarHBondContact O-N 3.43Å; Y674-M714 HydrophobicContact CD2-CE 3.86Å; Y674-M714 HydrophobicContact CD2-SD 3.95Å; Y674-M714 HydrophobicContact CE2-CE 3.44Å; Y674-M714 VanDerWaalsContact CE2-CE 3.44Å; Y674-M714 HydrophobicContact CE2-SD 4.17Å; Y674-T717 HydrophobicContact CD2-CG2 3.83Å; Y674-T717 HydrophobicContact CE2-CG2 4.36Å; Y674-T717 HydrophobicContact CG-CG2 4.1Å; Y674-V780 HydrophobicContact CE1-CG1 4.21Å; Y674-V780 PolarHBondContact OH-O 2.83Å; Y674-V784 HydrophobicContact CE2-CB 4.17Å; Y674-V784 HydrophobicContact CE2-CG2 4.47Å
675	F	90.4	Very high	94.1	Very high	70 Å²	70	46.6 Å²	46.6	31%	0.307	23%	0.23	S	C	.	.	H	α-helix	trans	-61.1	-26.7	-178.4	-71.9	-67.2	0	0	0	113.8	L671 L673 F779 V780	L671-F675 WeakPolarHBondContact O-CD2 3.44Å; L671-F675 PolarHBondContact O-N 3.09Å; L673-F675 VanDerWaalsContact C-N 3.32Å; L673-F675 PolarHBondContact O-N 3.05Å; F675-F779 HydrophobicContact CE1-CD1 4.29Å; F675-F779 AromaticContact CE1-CE1 3.73Å; F675-F779 HydrophobicContact CE1-CE1 3.73Å; F675-F779 HydrophobicContact CE1-CZ 4.34Å; F675-F779 HydrophobicContact CZ-CD1 4.15Å; F675-F779 AromaticContact CZ-CE1 3.68Å; F675-F779 HydrophobicContact CZ-CE1 3.68Å; F675-V780 HydrophobicContact CZ-CG2 4.28Å
676	K	88.4	Confident	94	Very high	146 Å²	146	49.8 Å²	49.8	64%	0.635	25%	0.247	S	C	*	.	H	α-helix	trans	-79.5	-30.9	176.2	-60.2	177.9	-176	173.8	0	112	L673 Y674	L673-K676 WeakPolarHBondContact O-CB 3.31Å; L673-K676 PolarHBondContact O-N 2.86Å; Y674-K676 PolarHBondContact O-N 2.94Å; Y674-K676 VanDerWaalsContact O-N 3.12Å
677	K	89.8	Confident	93.9	Very high	90 Å²	90	52.1 Å²	52.1	39%	0.391	26%	0.26	S	S	.	.	H	α-helix	trans	-89.8	-26.8	-175.1	-59.5	-57.9	-171.6	173.2	0	113.5	L673 Y674 T679 M680 F681 M714	L673-K677 WeakPolarHBondContact O-CG 3.44Å; L673-K677 PolarHBondContact O-N 2.84Å; Y674-K677 PolarHBondContact O-N 3.49Å; K677-T679 VanDerWaalsContact C-N 3.3Å; K677-T679 PolarHBondContact O-N 3.07Å; K677-M680 HydrophobicContact CB-CE 4.45Å; K677-M680 HydrophobicContact CD-CE 3.29Å; K677-M680 HydrophobicContact CG-CE 4.42Å; K677-M680 WeakPolarHBondContact O-CB 3.34Å; K677-M680 PolarHBondContact O-N 3.47Å; K677-F681 PolarHBondContact O-N 3.16Å; K677-M714 HydrophobicContact CB-SD 4.26Å
678	R	93	Very high	93.7	Very high	62 Å²	62	51.2 Å²	51.2	23%	0.234	26%	0.256	C	S	.	.	H	α-helix	trans	-57.5	-34.6	-173.9	79.6	178.9	177.1	170.8	-0.4	115	Y674 F681 Q682 M714 F783	Y674-R678 HydrophobicContact CE2-CB 4.28Å; Y674-R678 PolarHBondContact O-N 3.43Å; R678-F681 PolarHBondContact O-N 3.48Å; R678-Q682 PolarHBondContact O-N 2.9Å; R678-M714 HydrophobicContact CB-CE 4.04Å; R678-M714 HydrophobicContact CB-SD 4.35Å; R678-F783 HydrophobicContact CB-CD1 4.09Å; R678-F783 HydrophobicContact CB-CE1 3.52Å; R678-F783 HydrophobicContact CB-CZ 4.1Å; R678-F783 HydrophobicContact CG-CE1 4.03Å; R678-F783 HydrophobicContact CG-CZ 4.2Å
679	T	92.7	Very high	93.6	Very high	72 Å²	72	56.2 Å²	56.2	44%	0.442	28%	0.276	S	S	.	.	H	α-helix	trans	-73.2	-32.3	178.1	55.2	0	0	0	0	112.4	K677 K683	K677-T679 VanDerWaalsContact C-N 3.3Å; K677-T679 PolarHBondContact O-N 3.07Å; T679-K683 WeakPolarHBondContact O-CG 3.23Å; T679-K683 PolarHBondContact O-N 3.2Å
680	M	94.8	Very high	93.5	Very high	72 Å²	72	60.6 Å²	60.6	36%	0.355	30%	0.303	S	S	.	.	H	α-helix	trans	-70.3	-40	173.1	-66.1	-174.3	-77.2	0	0	110.7	K677 K683 I684 I710	K677-M680 HydrophobicContact CB-CE 4.45Å; K677-M680 HydrophobicContact CD-CE 3.29Å; K677-M680 HydrophobicContact CG-CE 4.42Å; K677-M680 WeakPolarHBondContact O-CB 3.34Å; K677-M680 PolarHBondContact O-N 3.47Å; M680-K683 PolarHBondContact O-N 3.4Å; M680-I684 WeakPolarHBondContact O-CG1 3.47Å; M680-I684 PolarHBondContact O-N 3Å; M680-I684 VanDerWaalsContact O-N 3.1Å; M680-I710 HydrophobicContact CB-CD1 4.24Å; M680-I710 HydrophobicContact CB-CG2 4.48Å; M680-I710 HydrophobicContact SD-CD1 4.36Å
681	F	96.7	Very high	93.3	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-60.1	-45.9	173.4	179.5	-116.5	0	0	0	112.3	K677 R678 K683 I684 V685 I710 V711 M714 E787 F788	K677-F681 PolarHBondContact O-N 3.16Å; R678-F681 PolarHBondContact O-N 3.48Å; F681-K683 VanDerWaalsContact C-N 3.27Å; F681-K683 PolarHBondContact O-N 3.35Å; F681-I684 WeakPolarHBondContact O-CA 3.41Å; F681-I684 WeakPolarHBondContact O-CB 3.39Å; F681-I684 PolarHBondContact O-N 3.48Å; F681-V685 HydrophobicContact CD1-CG2 4.28Å; F681-V685 HydrophobicContact CD2-CG2 4.39Å; F681-V685 HydrophobicContact CE1-CG2 3.92Å; F681-V685 HydrophobicContact CE2-CG2 4Å; F681-V685 HydrophobicContact CZ-CG2 3.75Å; F681-V685 WeakPolarHBondContact O-CG2 3.27Å; F681-V685 PolarHBondContact O-N 3.27Å; F681-I710 HydrophobicContact CB-CG2 4.21Å; F681-V711 HydrophobicContact CD2-CG2 4.19Å; F681-V711 HydrophobicContact CE2-CG1 4.46Å; F681-V711 HydrophobicContact CE2-CG2 4.08Å; F681-M714 HydrophobicContact CB-CE 4.29Å; F681-M714 HydrophobicContact CB-CG 3.7Å; F681-M714 HydrophobicContact CB-SD 4.19Å; F681-M714 HydrophobicContact CD1-CB 4.49Å; F681-M714 HydrophobicContact CD1-CE 3.89Å; F681-M714 HydrophobicContact CD1-CG 4.19Å; F681-M714 HydrophobicContact CD2-CB 4.29Å; F681-M714 HydrophobicContact CD2-CG 4.03Å; F681-M714 HydrophobicContact CG-CB 4.26Å; F681-M714 HydrophobicContact CG-CE 4.27Å; F681-M714 HydrophobicContact CG-CG 3.71Å; F681-E787 HydrophobicContact CD1-CB 4.11Å; F681-E787 HydrophobicContact CE1-CB 3.66Å; F681-F788 HydrophobicContact CE1-CD2 4.34Å; F681-F788 HydrophobicContact CE1-CE2 4.26Å; F681-F788 HydrophobicContact CE1-CG 4.5Å; F681-F788 HydrophobicContact CE1-CZ 4.37Å; F681-F788 HydrophobicContact CE2-CE1 4.2Å; F681-F788 HydrophobicContact CE2-CZ 4.28Å; F681-F788 AromaticContact CZ-CD1 3.89Å; F681-F788 HydrophobicContact CZ-CD1 3.89Å; F681-F788 HydrophobicContact CZ-CD2 4.32Å; F681-F788 AromaticContact CZ-CE1 3.68Å; F681-F788 HydrophobicContact CZ-CE1 3.68Å; F681-F788 HydrophobicContact CZ-CE2 4.12Å; F681-F788 HydrophobicContact CZ-CG 4.19Å; F681-F788 AromaticContact CZ-CZ 3.79Å; F681-F788 HydrophobicContact CZ-CZ 3.79Å
682	Q	96	Very high	93.1	Very high	68 Å²	68	70.5 Å²	70.5	32%	0.318	34%	0.344	S	S	.	.	H	α-helix	trans	-55.4	-42.2	176.6	-171.1	170.6	43	0	0	112.6	R678 I684 V685 D686 F783 E787	R678-Q682 PolarHBondContact O-N 2.9Å; Q682-I684 VanDerWaalsContact C-N 3.32Å; Q682-I684 PolarHBondContact O-N 3.07Å; Q682-V685 WeakPolarHBondContact O-CB 3.5Å; Q682-V685 PolarHBondContact O-N 3.14Å; Q682-D686 VanDerWaalsContact O-CG 3.29Å; Q682-D686 PolarHBondContact O-N 3.28Å; Q682-F783 HydrophobicContact CB-CZ 4.23Å; Q682-E787 PolarHBondContact NE2-OE1 3.49Å
683	K	95.8	Very high	93	Very high	150 Å²	150	71.1 Å²	71.1	65%	0.652	34%	0.339	S	S	*	.	H	α-helix	trans	-65.1	-33.9	175.2	-68	176.6	-179.1	-178	0	113	T679 M680 F681 L687	T679-K683 WeakPolarHBondContact O-CG 3.23Å; T679-K683 PolarHBondContact O-N 3.2Å; M680-K683 PolarHBondContact O-N 3.4Å; F681-K683 VanDerWaalsContact C-N 3.27Å; F681-K683 PolarHBondContact O-N 3.35Å; K683-L687 WeakPolarHBondContact O-CB 3.46Å; K683-L687 PolarHBondContact O-N 3.11Å
684	I	96.1	Very high	92.9	Very high	3 Å²	3	74 Å²	74	2%	0.015	35%	0.351	C	S	.	.	H	α-helix	trans	-65.9	-43.6	173.2	-66	166.6	0	0	0	109.7	M680 F681 Q682 L687 S688 W697 M701 R707 I710 V711	M680-I684 WeakPolarHBondContact O-CG1 3.47Å; M680-I684 PolarHBondContact O-N 3Å; M680-I684 VanDerWaalsContact O-N 3.1Å; F681-I684 WeakPolarHBondContact O-CA 3.41Å; F681-I684 WeakPolarHBondContact O-CB 3.39Å; F681-I684 PolarHBondContact O-N 3.48Å; Q682-I684 VanDerWaalsContact C-N 3.32Å; Q682-I684 PolarHBondContact O-N 3.07Å; I684-L687 PolarHBondContact O-N 3.31Å; I684-S688 PolarHBondContact O-N 3.43Å; I684-W697 HydrophobicContact CG2-CH2 4.16Å; I684-W697 HydrophobicContact CG2-CZ2 4.31Å; I684-M701 HydrophobicContact CG2-CE 4.47Å; I684-M701 HydrophobicContact CG2-SD 4.39Å; I684-R707 HydrophobicContact CD1-CB 4.13Å; I684-R707 HydrophobicContact CD1-CG 4.23Å; I684-R707 HydrophobicContact CG1-CG 4.41Å; I684-I710 HydrophobicContact CD1-CB 3.97Å; I684-I710 HydrophobicContact CD1-CD1 4.17Å; I684-I710 HydrophobicContact CD1-CG2 3.8Å; I684-V711 HydrophobicContact CG2-CG2 4.26Å
685	V	95.9	Very high	92.8	Very high	0 Å²	0	80.9 Å²	80.9	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-61.8	-46	176	178.7	0	0	0	0	110.8	F681 Q682 L687 S688 K689 R790 F791	F681-V685 HydrophobicContact CD1-CG2 4.28Å; F681-V685 HydrophobicContact CD2-CG2 4.39Å; F681-V685 HydrophobicContact CE1-CG2 3.92Å; F681-V685 HydrophobicContact CE2-CG2 4Å; F681-V685 HydrophobicContact CZ-CG2 3.75Å; F681-V685 WeakPolarHBondContact O-CG2 3.27Å; F681-V685 PolarHBondContact O-N 3.27Å; Q682-V685 WeakPolarHBondContact O-CB 3.5Å; Q682-V685 PolarHBondContact O-N 3.14Å; V685-L687 VanDerWaalsContact C-N 3.35Å; V685-L687 PolarHBondContact O-N 3.12Å; V685-S688 WeakPolarHBondContact O-CB 3.19Å; V685-S688 PolarHBondContact O-N 3.01Å; V685-S688 VanDerWaalsContact O-N 3.16Å; V685-S688 PolarHBondContact O-OG 2.97Å; V685-K689 PolarHBondContact O-N 3.15Å; V685-R790 HydrophobicContact CG1-CB 4.37Å; V685-R790 HydrophobicContact CG1-CG 4.16Å; V685-F791 HydrophobicContact CG1-CB 4.08Å; V685-F791 HydrophobicContact CG2-CB 3.94Å; V685-F791 HydrophobicContact CG2-CD2 4.28Å; V685-F791 HydrophobicContact CG2-CG 4.13Å
686	D	96	Very high	92.9	Very high	67 Å²	67	83.8 Å²	83.8	36%	0.358	39%	0.394	S	S	.	.	H	α-helix	trans	-61.9	-42.8	178.3	-66.2	-31.8	0	0	0	111.4	Q682 S688 K689 R790	Q682-D686 VanDerWaalsContact O-CG 3.29Å; Q682-D686 PolarHBondContact O-N 3.28Å; D686-S688 VanDerWaalsContact C-N 3.32Å; D686-S688 PolarHBondContact O-N 2.88Å; D686-K689 PolarHBondContact O-N 3.15Å; D686-K689 VanDerWaalsContact O-N 3.15Å; D686-R790 IonicContact OD1-CZ 3.44Å; D686-R790 IonicContact OD1-NH1 2.67Å; D686-R790 PolarHBondContact OD1-NH1 3.46Å; D686-R790 IonicContact OD1-NH2 3.55Å; D686-R790 PolarHBondContact OD1-NH2 3.31Å
687	L	94.7	Very high	93.2	Very high	49 Å²	49	77.3 Å²	77.3	26%	0.257	37%	0.365	S	S	.	.	H	α-helix	trans	-61.5	-38.9	174.7	-176.9	65.2	0	0	0	112.1	K683 I684 V685 K689 T690 Y691 W697 F700	K683-L687 WeakPolarHBondContact O-CB 3.46Å; K683-L687 PolarHBondContact O-N 3.11Å; I684-L687 PolarHBondContact O-N 3.31Å; V685-L687 VanDerWaalsContact C-N 3.35Å; V685-L687 PolarHBondContact O-N 3.12Å; L687-K689 PolarHBondContact O-N 3.4Å; L687-T690 PolarHBondContact O-N 3Å; L687-T690 PolarHBondContact O-OG1 3.35Å; L687-Y691 HydrophobicContact CD1-CE2 4.23Å; L687-Y691 HydrophobicContact CG-CE2 4.28Å; L687-Y691 WeakPolarHBondContact O-CD2 3.39Å; L687-W697 HydrophobicContact CD2-CZ3 4.23Å; L687-W697 HydrophobicContact CG-CZ3 4.05Å; L687-F700 HydrophobicContact CD2-CE1 4.13Å; L687-F700 HydrophobicContact CD2-CZ 4.5Å
688	S	93.9	Very high	93.5	Very high	14 Å²	14	74.2 Å²	74.2	10%	0.098	35%	0.354	C	S	.	.	H	α-helix	trans	-59.6	-30.4	177.2	79.7	0	0	0	0	112.7	I684 V685 D686 T690 Y691 W697 F791	I684-S688 PolarHBondContact O-N 3.43Å; V685-S688 WeakPolarHBondContact O-CB 3.19Å; V685-S688 PolarHBondContact O-N 3.01Å; V685-S688 VanDerWaalsContact O-N 3.16Å; V685-S688 PolarHBondContact O-OG 2.97Å; D686-S688 VanDerWaalsContact C-N 3.32Å; D686-S688 PolarHBondContact O-N 2.88Å; S688-T690 VanDerWaalsContact C-N 3.31Å; S688-T690 PolarHBondContact O-N 3.28Å; S688-Y691 PolarHBondContact O-N 3.09Å; S688-W697 VanDerWaalsContact CB-CE2 3.41Å; S688-F791 WeakPolarHBondContact OG-CD2 3.43Å
689	K	92.8	Very high	93.5	Very high	118 Å²	118	75.5 Å²	75.5	51%	0.513	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-13.7	179.2	-61.5	-57.6	-178.6	-171.2	0	113.6	V685 D686 L687 Y691 R790	V685-K689 PolarHBondContact O-N 3.15Å; D686-K689 PolarHBondContact O-N 3.15Å; D686-K689 VanDerWaalsContact O-N 3.15Å; L687-K689 PolarHBondContact O-N 3.4Å; K689-Y691 VanDerWaalsContact C-N 3.29Å; K689-R790 WeakPolarHBondContact CE-O 3.47Å; K689-R790 PolarHBondContact NZ-O 3.07Å
690	T	94	Very high	93.5	Very high	98 Å²	98	74.8 Å²	74.8	60%	0.601	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-12	174.9	70.6	0	0	0	0	112.7	L687 S688	L687-T690 PolarHBondContact O-N 3Å; L687-T690 PolarHBondContact O-OG1 3.35Å; S688-T690 VanDerWaalsContact C-N 3.31Å; S688-T690 PolarHBondContact O-N 3.28Å
691	Y	91.9	Very high	93.5	Very high	82 Å²	82	71.4 Å²	71.4	32%	0.322	34%	0.34	S	S	.	.			trans	-90.9	119.4	176.2	-76.2	-110.3	0	0	0	109.6	L687 S688 K689 K696 W697	L687-Y691 HydrophobicContact CD1-CE2 4.23Å; L687-Y691 HydrophobicContact CG-CE2 4.28Å; L687-Y691 WeakPolarHBondContact O-CD2 3.39Å; S688-Y691 PolarHBondContact O-N 3.09Å; K689-Y691 VanDerWaalsContact C-N 3.29Å; Y691-K696 HydrophobicContact CD1-CB 4.23Å; Y691-W697 HydrophobicContact CD1-CB 4.29Å; Y691-W697 AromaticContact CD2-CE3 3.79Å; Y691-W697 HydrophobicContact CD2-CE3 3.79Å; Y691-W697 HydrophobicContact CD2-CZ3 4.31Å; Y691-W697 AromaticContact CE2-CE3 3.97Å; Y691-W697 HydrophobicContact CE2-CE3 3.97Å; Y691-W697 HydrophobicContact CE2-CZ3 4.22Å; Y691-W697 HydrophobicContact CG-CB 4.22Å; Y691-W697 HydrophobicContact CG-CE3 4.15Å
692	E	87.2	Confident	93.2	Very high	208 Å²	208	73.9 Å²	73.9	97%	0.972	36%	0.357	S	S	*	.	S	Bend	trans	-75.5	-29.1	176.1	-64.7	-179.2	172.9	0	0	112.6
693	D	90.7	Very high	93	Very high	69 Å²	69	77.5 Å²	77.5	37%	0.369	38%	0.378	S	S	.	.			trans	-104.3	115.8	-179.6	-178.6	-1.8	0	0	0	110.7	K695 K696 W697	D693-K695 VanDerWaalsContact C-N 3.27Å; D693-K695 PolarHBondContact O-N 2.96Å; D693-K695 WeakPolarHBondContact OD1-CB 3.43Å; D693-K695 PolarHBondContact OD1-N 3.48Å; D693-K696 HydrophobicContact CB-CB 4.3Å; D693-K696 HydrophobicContact CB-CD 4.02Å; D693-K696 HydrophobicContact CB-CG 4.12Å; D693-K696 PolarHBondContact O-N 2.9Å; D693-K696 WeakPolarHBondContact OD2-CE 3.45Å; D693-K696 WeakPolarHBondContact OD2-CG 3.05Å; D693-W697 PolarHBondContact O-N 3.26Å
694	E	86.9	Confident	92.9	Very high	113 Å²	113	74 Å²	74	53%	0.528	36%	0.364	S	S	.	.	H	α-helix	trans	-60.2	-35.2	-179.7	-175.3	170.8	-141.8	0	0	112.5	R582 W697 V698	R582-E694 IonicContact CZ-OE1 3.15Å; R582-E694 VanDerWaalsContact NH1-CD 3.26Å; R582-E694 IonicContact NH1-OE1 3.95Å; R582-E694 PolarHBondContact NH1-OE1 2.78Å; R582-E694 IonicContact NH1-OE2 2.77Å; R582-E694 IonicContact NH2-OE1 2.75Å; R582-E694 PolarHBondContact NH2-OE1 3.36Å; E694-W697 PolarHBondContact O-N 3.42Å; E694-V698 VanDerWaalsContact O-CG2 3.31Å; E694-V698 WeakPolarHBondContact O-CG2 3.45Å; E694-V698 PolarHBondContact O-N 3.44Å
695	K	91.3	Very high	92.8	Very high	147 Å²	147	78 Å²	78	64%	0.639	39%	0.388	S	S	*	.	H	α-helix	trans	-67.1	-42.5	-179.4	-171.5	177.1	179.3	-179.4	0	111.2	D693 W697 V698 D699	D693-K695 VanDerWaalsContact C-N 3.27Å; D693-K695 PolarHBondContact O-N 2.96Å; D693-K695 WeakPolarHBondContact OD1-CB 3.43Å; D693-K695 PolarHBondContact OD1-N 3.48Å; K695-W697 VanDerWaalsContact C-N 3.29Å; K695-W697 PolarHBondContact O-N 3.28Å; K695-V698 PolarHBondContact O-N 3.01Å; K695-D699 PolarHBondContact O-N 3.06Å
696	K	93.4	Very high	92.7	Very high	132 Å²	132	82 Å²	82	57%	0.574	41%	0.413	S	S	*	.	H	α-helix	trans	-62.7	-36.9	176.1	-69.3	179.8	-169.2	171.4	0	112.1	Y691 D693 F700	Y691-K696 HydrophobicContact CD1-CB 4.23Å; D693-K696 HydrophobicContact CB-CB 4.3Å; D693-K696 HydrophobicContact CB-CD 4.02Å; D693-K696 HydrophobicContact CB-CG 4.12Å; D693-K696 PolarHBondContact O-N 2.9Å; D693-K696 WeakPolarHBondContact OD2-CE 3.45Å; D693-K696 WeakPolarHBondContact OD2-CG 3.05Å; K696-F700 WeakPolarHBondContact O-CB 3.41Å; K696-F700 PolarHBondContact O-N 3.36Å
697	W	94.8	Very high	92.7	Very high	10 Å²	10	82.5 Å²	82.5	4%	0.038	41%	0.41	C	S	.	.	H	α-helix	trans	-65.1	-44.9	174.2	170.4	-110	0	0	0	111.9	Y583 I684 L687 S688 Y691 D693 E694 K695 F700 M701 F791	Y583-W697 AromaticContact CE1-CD1 3.89Å; Y583-W697 AromaticContact CE1-NE1 3.74Å; Y583-W697 AromaticContact CZ-NE1 3.71Å; Y583-W697 PolarHBondContact OH-NE1 2.72Å; I684-W697 HydrophobicContact CG2-CH2 4.16Å; I684-W697 HydrophobicContact CG2-CZ2 4.31Å; L687-W697 HydrophobicContact CD2-CZ3 4.23Å; L687-W697 HydrophobicContact CG-CZ3 4.05Å; S688-W697 VanDerWaalsContact CB-CE2 3.41Å; Y691-W697 HydrophobicContact CD1-CB 4.29Å; Y691-W697 AromaticContact CD2-CE3 3.79Å; Y691-W697 HydrophobicContact CD2-CE3 3.79Å; Y691-W697 HydrophobicContact CD2-CZ3 4.31Å; Y691-W697 AromaticContact CE2-CE3 3.97Å; Y691-W697 HydrophobicContact CE2-CE3 3.97Å; Y691-W697 HydrophobicContact CE2-CZ3 4.22Å; Y691-W697 HydrophobicContact CG-CB 4.22Å; Y691-W697 HydrophobicContact CG-CE3 4.15Å; D693-W697 PolarHBondContact O-N 3.26Å; E694-W697 PolarHBondContact O-N 3.42Å; K695-W697 VanDerWaalsContact C-N 3.29Å; K695-W697 PolarHBondContact O-N 3.28Å; W697-F700 AromaticContact CE3-CD1 3.96Å; W697-F700 HydrophobicContact CE3-CD1 3.96Å; W697-F700 AromaticContact CZ3-CD1 3.78Å; W697-F700 HydrophobicContact CZ3-CD1 3.78Å; W697-F700 AromaticContact CZ3-CE1 3.96Å; W697-F700 HydrophobicContact CZ3-CE1 3.96Å; W697-F700 PolarHBondContact O-N 2.94Å; W697-M701 HydrophobicContact CD2-CG 3.84Å; W697-M701 HydrophobicContact CE3-CG 4.18Å; W697-M701 HydrophobicContact CH2-CG 3.68Å; W697-M701 HydrophobicContact CH2-SD 3.51Å; W697-M701 VanDerWaalsContact CH2-SD 3.51Å; W697-M701 HydrophobicContact CZ2-CE 4.41Å; W697-M701 HydrophobicContact CZ2-CG 3.26Å; W697-M701 HydrophobicContact CZ2-SD 3.47Å; W697-M701 WeakPolarHBondContact CZ2-SD 3.13Å; W697-M701 HydrophobicContact CZ3-CG 4.11Å; W697-M701 HydrophobicContact CZ3-SD 4.27Å; W697-M701 WeakPolarHBondContact O-CB 3.41Å; W697-M701 PolarHBondContact O-N 2.89Å; W697-F791 AromaticContact CZ2-CE2 3.82Å; W697-F791 HydrophobicContact CZ2-CE2 3.82Å; W697-F791 HydrophobicContact CZ2-CZ 4.17Å; W697-F791 AromaticContact NE1-CE2 3.77Å
698	V	94.2	Very high	92.8	Very high	25 Å²	25	81 Å²	81	15%	0.152	40%	0.401	C	S	.	.	H	α-helix	trans	-61.5	-47.4	177.5	173.7	0	0	0	0	111.1	R582 Y583 E694 K695 F700 M701 S702	R582-V698 HydrophobicContact CB-CG1 4.42Å; R582-V698 HydrophobicContact CG-CG1 4.48Å; R582-V698 HydrophobicContact CG-CG2 4.19Å; R582-V698 WeakPolarHBondContact O-CG1 3.13Å; Y583-V698 HydrophobicContact CD1-CB 4.49Å; Y583-V698 HydrophobicContact CD1-CG1 4.33Å; Y583-V698 HydrophobicContact CD1-CG2 4.27Å; Y583-V698 HydrophobicContact CE1-CB 4.25Å; Y583-V698 HydrophobicContact CE1-CG2 3.65Å; E694-V698 VanDerWaalsContact O-CG2 3.31Å; E694-V698 WeakPolarHBondContact O-CG2 3.45Å; E694-V698 PolarHBondContact O-N 3.44Å; K695-V698 PolarHBondContact O-N 3.01Å; V698-F700 VanDerWaalsContact C-N 3.31Å; V698-F700 PolarHBondContact O-N 2.83Å; V698-M701 PolarHBondContact O-N 2.95Å; V698-S702 WeakPolarHBondContact O-CB 3.46Å; V698-S702 PolarHBondContact O-N 2.7Å
699	D	93.2	Very high	92.9	Very high	89 Å²	89	82.9 Å²	82.9	48%	0.476	41%	0.408	S	S	.	.	H	α-helix	trans	-61.1	-41.2	179.1	-68.6	-20	0	0	0	111.3	K695 L703	K695-D699 PolarHBondContact O-N 3.06Å; D699-L703 WeakPolarHBondContact O-CG 3.46Å
700	F	94.1	Very high	93.1	Very high	56 Å²	56	78.2 Å²	78.2	25%	0.246	39%	0.389	C	S	.	.	H	α-helix	trans	-63	-50.1	174.1	171.8	-103.6	0	0	0	112.2	L687 K696 W697 V698 S702 L703 E704	L687-F700 HydrophobicContact CD2-CE1 4.13Å; L687-F700 HydrophobicContact CD2-CZ 4.5Å; K696-F700 WeakPolarHBondContact O-CB 3.41Å; K696-F700 PolarHBondContact O-N 3.36Å; W697-F700 AromaticContact CE3-CD1 3.96Å; W697-F700 HydrophobicContact CE3-CD1 3.96Å; W697-F700 AromaticContact CZ3-CD1 3.78Å; W697-F700 HydrophobicContact CZ3-CD1 3.78Å; W697-F700 AromaticContact CZ3-CE1 3.96Å; W697-F700 HydrophobicContact CZ3-CE1 3.96Å; W697-F700 PolarHBondContact O-N 2.94Å; V698-F700 VanDerWaalsContact C-N 3.31Å; V698-F700 PolarHBondContact O-N 2.83Å; F700-S702 VanDerWaalsContact C-N 3.3Å; F700-S702 PolarHBondContact O-N 2.92Å; F700-L703 PolarHBondContact O-N 3.08Å; F700-E704 HydrophobicContact CD2-CG 4.34Å; F700-E704 HydrophobicContact CE1-CG 4.26Å; F700-E704 HydrophobicContact CE2-CG 3.83Å; F700-E704 HydrophobicContact CZ-CG 3.79Å; F700-E704 PolarHBondContact O-N 2.89Å
701	M	93.5	Very high	93.2	Very high	1 Å²	1	73.6 Å²	73.6	1%	0.005	36%	0.36	C	S	.	.	H	α-helix	trans	-64.2	-33.8	-179.9	-81.9	-63.8	-63.4	0	0	112.9	Y583 I684 W697 V698 L703 E704 R707 K708 V711	Y583-M701 HydrophobicContact CD1-CB 3.75Å; Y583-M701 HydrophobicContact CD1-CG 4.41Å; Y583-M701 HydrophobicContact CE1-CB 4.2Å; Y583-M701 HydrophobicContact CE1-CG 4.46Å; Y583-M701 HydrophobicContact CG-CB 4.43Å; I684-M701 HydrophobicContact CG2-CE 4.47Å; I684-M701 HydrophobicContact CG2-SD 4.39Å; W697-M701 HydrophobicContact CD2-CG 3.84Å; W697-M701 HydrophobicContact CE3-CG 4.18Å; W697-M701 HydrophobicContact CH2-CG 3.68Å; W697-M701 HydrophobicContact CH2-SD 3.51Å; W697-M701 VanDerWaalsContact CH2-SD 3.51Å; W697-M701 HydrophobicContact CZ2-CE 4.41Å; W697-M701 HydrophobicContact CZ2-CG 3.26Å; W697-M701 HydrophobicContact CZ2-SD 3.47Å; W697-M701 WeakPolarHBondContact CZ2-SD 3.13Å; W697-M701 HydrophobicContact CZ3-CG 4.11Å; W697-M701 HydrophobicContact CZ3-SD 4.27Å; W697-M701 WeakPolarHBondContact O-CB 3.41Å; W697-M701 PolarHBondContact O-N 2.89Å; V698-M701 PolarHBondContact O-N 2.95Å; M701-L703 PolarHBondContact O-N 3.44Å; M701-E704 PolarHBondContact O-N 3.13Å; M701-R707 HydrophobicContact CE-CB 3.98Å; M701-R707 HydrophobicContact SD-CB 4.01Å; M701-K708 WeakPolarHBondContact O-CG 3.34Å; M701-V711 HydrophobicContact CE-CG2 4.15Å
702	S	91.4	Very high	93.5	Very high	52 Å²	52	69.8 Å²	69.8	36%	0.364	35%	0.346	S	S	.	.	H	α-helix	trans	-64.9	-28.5	179.3	-173.7	0	0	0	0	112.7	V698 F700 K708	V698-S702 WeakPolarHBondContact O-CB 3.46Å; V698-S702 PolarHBondContact O-N 2.7Å; F700-S702 VanDerWaalsContact C-N 3.3Å; F700-S702 PolarHBondContact O-N 2.92Å; S702-K708 PolarHBondContact O-NZ 3.29Å
703	L	91.6	Very high	94	Very high	145 Å²	145	60.3 Å²	60.3	76%	0.759	30%	0.303	S	S	*	.	H	α-helix	trans	-87.1	-27.1	179	-64.9	170.8	0	0	0	112.6	D699 F700 M701 T705	D699-L703 WeakPolarHBondContact O-CG 3.46Å; F700-L703 PolarHBondContact O-N 3.08Å; M701-L703 PolarHBondContact O-N 3.44Å; L703-T705 PolarHBondContact O-N 3.13Å
704	E	94.2	Very high	94.3	Very high	77 Å²	77	57.1 Å²	57.1	36%	0.36	29%	0.286	S	S	.	.			trans	-86.3	91.5	-175	-78.7	-64	160.4	0	0	113.3	F700 M701 T706 R707 K708	F700-E704 HydrophobicContact CD2-CG 4.34Å; F700-E704 HydrophobicContact CE1-CG 4.26Å; F700-E704 HydrophobicContact CE2-CG 3.83Å; F700-E704 HydrophobicContact CZ-CG 3.79Å; F700-E704 PolarHBondContact O-N 2.89Å; M701-E704 PolarHBondContact O-N 3.13Å; E704-T706 PolarHBondContact O-N 3.3Å; E704-R707 HydrophobicContact CB-CB 4.22Å; E704-R707 HydrophobicContact CB-CG 4.24Å; E704-R707 PolarHBondContact O-N 3.02Å; E704-K708 PolarHBondContact O-N 3.35Å
705	T	93.1	Very high	94.8	Very high	86 Å²	86	51.7 Å²	51.7	53%	0.528	26%	0.261	S	S	.	.	H	α-helix	trans	-58.2	-49.2	-175.9	55	0	0	0	0	114	L703 R707 K708 E709	L703-T705 PolarHBondContact O-N 3.13Å; T705-R707 VanDerWaalsContact C-N 3.28Å; T705-R707 PolarHBondContact O-N 2.97Å; T705-K708 WeakPolarHBondContact O-CB 3.48Å; T705-K708 PolarHBondContact O-N 3.31Å; T705-E709 PolarHBondContact O-N 3.2Å
706	T	94.6	Very high	95.1	Very high	84 Å²	84	44.7 Å²	44.7	52%	0.515	23%	0.23	S	C	.	.	H	α-helix	trans	-63.8	-35.6	-175.7	-57	0	0	0	0	111.6	E704 E709 I710	E704-T706 PolarHBondContact O-N 3.3Å; T706-E709 PolarHBondContact O-N 3.14Å; T706-I710 HydrophobicContact CG2-CD1 4.26Å; T706-I710 WeakPolarHBondContact O-CG1 3.39Å; T706-I710 PolarHBondContact O-N 3.45Å; T706-I710 VanDerWaalsContact O-N 3.12Å
707	R	95.5	Very high	95.3	Very high	77 Å²	77	38.5 Å²	38.5	29%	0.291	20%	0.203	S	C	.	.	H	α-helix	trans	-70	-40.8	179.1	-64.8	-178.5	-175.8	-88.7	-0.3	110.8	I684 M701 E704 T705 E709 I710 V711	I684-R707 HydrophobicContact CD1-CB 4.13Å; I684-R707 HydrophobicContact CD1-CG 4.23Å; I684-R707 HydrophobicContact CG1-CG 4.41Å; M701-R707 HydrophobicContact CE-CB 3.98Å; M701-R707 HydrophobicContact SD-CB 4.01Å; E704-R707 HydrophobicContact CB-CB 4.22Å; E704-R707 HydrophobicContact CB-CG 4.24Å; E704-R707 PolarHBondContact O-N 3.02Å; T705-R707 VanDerWaalsContact C-N 3.28Å; T705-R707 PolarHBondContact O-N 2.97Å; R707-E709 VanDerWaalsContact C-N 3.34Å; R707-E709 PolarHBondContact O-N 3.08Å; R707-I710 PolarHBondContact O-N 3.19Å; R707-V711 WeakPolarHBondContact O-CG2 3.26Å; R707-V711 PolarHBondContact O-N 3.37Å
708	K	95.9	Very high	95.4	Very high	17 Å²	17	38.1 Å²	38.1	7%	0.074	20%	0.202	C	C	.	.	H	α-helix	trans	-58	-45.6	172.7	-70.5	-168.3	-62	170.3	0	111.6	Y583 Y584 E588 M701 S702 E704 T705 I710 V711 M712	Y583-K708 WeakPolarHBondContact O-CD 3.38Å; Y584-K708 HydrophobicContact CD1-CD 4.22Å; Y584-K708 HydrophobicContact CE1-CB 3.83Å; Y584-K708 HydrophobicContact CE1-CD 4.3Å; Y584-K708 HydrophobicContact CE1-CG 4.22Å; Y584-K708 PolarHBondContact OH-O 3.2Å; E588-K708 IonicContact OE1-NZ 3.94Å; E588-K708 PolarHBondContact OE1-NZ 3.3Å; E588-K708 IonicContact OE2-NZ 2.82Å; E588-K708 PolarHBondContact OE2-NZ 3.4Å; M701-K708 WeakPolarHBondContact O-CG 3.34Å; S702-K708 PolarHBondContact O-NZ 3.29Å; E704-K708 PolarHBondContact O-N 3.35Å; T705-K708 WeakPolarHBondContact O-CB 3.48Å; T705-K708 PolarHBondContact O-N 3.31Å; K708-I710 VanDerWaalsContact C-N 3.34Å; K708-I710 PolarHBondContact O-N 2.87Å; K708-V711 PolarHBondContact O-N 3.22Å; K708-M712 WeakPolarHBondContact O-CB 3.38Å; K708-M712 PolarHBondContact O-N 3.12Å
709	E	96.7	Very high	95.6	Very high	54 Å²	54	36.9 Å²	36.9	25%	0.252	20%	0.195	S	C	.	.	H	α-helix	trans	-61.6	-39.7	177.4	-70.1	179	170.2	0	0	112.7	H660 I664 T705 T706 R707 M712 A713	H660-E709 IonicContact CD2-OE1 3.11Å; H660-E709 IonicContact CE1-OE1 2.67Å; H660-E709 IonicContact NE2-OE1 3.21Å; H660-E709 PolarHBondContact NE2-OE1 2.88Å; I664-E709 VanDerWaalsContact CD1-CD 3.42Å; I664-E709 HydrophobicContact CD1-CG 3.99Å; I664-E709 WeakPolarHBondContact CD1-OE1 3.41Å; T705-E709 PolarHBondContact O-N 3.2Å; T706-E709 PolarHBondContact O-N 3.14Å; R707-E709 VanDerWaalsContact C-N 3.34Å; R707-E709 PolarHBondContact O-N 3.08Å; E709-M712 PolarHBondContact O-N 3.45Å; E709-A713 WeakPolarHBondContact O-CB 3.11Å; E709-A713 PolarHBondContact O-N 3.11Å
710	I	96.8	Very high	95.8	Very high	20 Å²	20	33.7 Å²	33.7	10%	0.103	18%	0.178	C	C	.	.	H	α-helix	trans	-65.5	-43.9	175.7	-66.6	165.7	0	0	0	110.9	M680 F681 I684 T706 R707 K708 M712 A713 M714	M680-I710 HydrophobicContact CB-CD1 4.24Å; M680-I710 HydrophobicContact CB-CG2 4.48Å; M680-I710 HydrophobicContact SD-CD1 4.36Å; F681-I710 HydrophobicContact CB-CG2 4.21Å; I684-I710 HydrophobicContact CD1-CB 3.97Å; I684-I710 HydrophobicContact CD1-CD1 4.17Å; I684-I710 HydrophobicContact CD1-CG2 3.8Å; T706-I710 HydrophobicContact CG2-CD1 4.26Å; T706-I710 WeakPolarHBondContact O-CG1 3.39Å; T706-I710 PolarHBondContact O-N 3.45Å; T706-I710 VanDerWaalsContact O-N 3.12Å; R707-I710 PolarHBondContact O-N 3.19Å; K708-I710 VanDerWaalsContact C-N 3.34Å; K708-I710 PolarHBondContact O-N 2.87Å; I710-M712 VanDerWaalsContact C-N 3.35Å; I710-A713 PolarHBondContact O-N 3.32Å; I710-M714 VanDerWaalsContact O-CG 3.27Å; I710-M714 WeakPolarHBondContact O-CG 3.12Å; I710-M714 PolarHBondContact O-N 2.9Å
711	V	97.1	Very high	96	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.006	17%	0.172	C	C	.	.	H	α-helix	trans	-64.6	-41.4	177.4	176.2	0	0	0	0	110.5	Y584 F681 I684 M701 R707 K708 M714 M715 F791	Y584-V711 WeakPolarHBondContact OH-CB 3.49Å; Y584-V711 WeakPolarHBondContact OH-CG1 3.32Å; F681-V711 HydrophobicContact CD2-CG2 4.19Å; F681-V711 HydrophobicContact CE2-CG1 4.46Å; F681-V711 HydrophobicContact CE2-CG2 4.08Å; I684-V711 HydrophobicContact CG2-CG2 4.26Å; M701-V711 HydrophobicContact CE-CG2 4.15Å; R707-V711 WeakPolarHBondContact O-CG2 3.26Å; R707-V711 PolarHBondContact O-N 3.37Å; K708-V711 PolarHBondContact O-N 3.22Å; V711-M714 PolarHBondContact O-N 3.45Å; V711-M715 VanDerWaalsContact O-CB 3.23Å; V711-M715 WeakPolarHBondContact O-CB 3.43Å; V711-M715 PolarHBondContact O-N 3.37Å; V711-F791 HydrophobicContact CG1-CE1 4.46Å
712	M	97.7	Very high	96.1	Very high	3 Å²	3	32.2 Å²	32.2	2%	0.015	17%	0.172	C	C	.	.	H	α-helix	trans	-59.4	-48.2	174.8	176.3	177.8	77.9	0	0	111.8	Y584 M592 L661 I664 A665 K708 E709 I710 M714 M715 M716	Y584-M712 PolarHBondContact OH-N 3.46Å; M592-M712 HydrophobicContact CG-CG 3.79Å; M592-M712 HydrophobicContact CG-SD 3.6Å; M592-M712 VanDerWaalsContact CG-SD 3.6Å; M592-M712 HydrophobicContact SD-CB 4.12Å; M592-M712 HydrophobicContact SD-CG 3.61Å; M592-M712 HydrophobicContact SD-SD 3.93Å; L661-M712 HydrophobicContact CB-CE 4.37Å; L661-M712 HydrophobicContact CB-SD 4.4Å; L661-M712 HydrophobicContact CD2-CE 3.9Å; L661-M712 HydrophobicContact CD2-SD 4.18Å; L661-M712 WeakPolarHBondContact O-CE 3.47Å; I664-M712 HydrophobicContact CB-CE 3.76Å; I664-M712 HydrophobicContact CG2-CE 3.53Å; A665-M712 HydrophobicContact CB-CE 4.28Å; A665-M712 HydrophobicContact CB-CG 4.48Å; A665-M712 HydrophobicContact CB-SD 4.35Å; K708-M712 WeakPolarHBondContact O-CB 3.38Å; K708-M712 PolarHBondContact O-N 3.12Å; E709-M712 PolarHBondContact O-N 3.45Å; I710-M712 VanDerWaalsContact C-N 3.35Å; M712-M714 PolarHBondContact O-N 3.29Å; M712-M715 PolarHBondContact O-N 3.36Å; M712-M716 PolarHBondContact O-N 2.91Å
713	A	97.2	Very high	96.3	Very high	9 Å²	9	30.7 Å²	30.7	7%	0.074	16%	0.163	C	C	.	.	H	α-helix	trans	-58.2	-47	176.9	0	0	0	0	0	111.8	A668 E709 I710 M715 M716 T717	A668-A713 HydrophobicContact CB-CB 3.57Å; E709-A713 WeakPolarHBondContact O-CB 3.11Å; E709-A713 PolarHBondContact O-N 3.11Å; I710-A713 PolarHBondContact O-N 3.32Å; A713-M715 VanDerWaalsContact C-N 3.32Å; A713-M715 PolarHBondContact O-N 3.22Å; A713-M716 PolarHBondContact O-N 3.37Å; A713-T717 PolarHBondContact O-N 3.47Å; A713-T717 VanDerWaalsContact O-N 3.13Å; A713-T717 PolarHBondContact O-OG1 2.8Å
714	M	97.3	Very high	96.5	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.005	13%	0.13	C	C	.	.	H	α-helix	trans	-66	-36.1	177.3	-65.6	-64.4	-57.3	0	0	112.5	Y674 K677 R678 F681 I710 V711 M712 A718 V784 F788	Y674-M714 HydrophobicContact CD2-CE 3.86Å; Y674-M714 HydrophobicContact CD2-SD 3.95Å; Y674-M714 HydrophobicContact CE2-CE 3.44Å; Y674-M714 VanDerWaalsContact CE2-CE 3.44Å; Y674-M714 HydrophobicContact CE2-SD 4.17Å; K677-M714 HydrophobicContact CB-SD 4.26Å; R678-M714 HydrophobicContact CB-CE 4.04Å; R678-M714 HydrophobicContact CB-SD 4.35Å; F681-M714 HydrophobicContact CB-CE 4.29Å; F681-M714 HydrophobicContact CB-CG 3.7Å; F681-M714 HydrophobicContact CB-SD 4.19Å; F681-M714 HydrophobicContact CD1-CB 4.49Å; F681-M714 HydrophobicContact CD1-CE 3.89Å; F681-M714 HydrophobicContact CD1-CG 4.19Å; F681-M714 HydrophobicContact CD2-CB 4.29Å; F681-M714 HydrophobicContact CD2-CG 4.03Å; F681-M714 HydrophobicContact CG-CB 4.26Å; F681-M714 HydrophobicContact CG-CE 4.27Å; F681-M714 HydrophobicContact CG-CG 3.71Å; I710-M714 VanDerWaalsContact O-CG 3.27Å; I710-M714 WeakPolarHBondContact O-CG 3.12Å; I710-M714 PolarHBondContact O-N 2.9Å; V711-M714 PolarHBondContact O-N 3.45Å; M712-M714 PolarHBondContact O-N 3.29Å; M714-A718 WeakPolarHBondContact O-CB 3.4Å; M714-A718 PolarHBondContact O-N 2.89Å; M714-V784 HydrophobicContact CE-CB 4.48Å; M714-V784 HydrophobicContact CE-CG2 3.97Å; M714-F788 HydrophobicContact CB-CE2 4.12Å; M714-F788 HydrophobicContact CB-CZ 3.98Å
715	M	97.6	Very high	96.7	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-66.8	-39.9	176.7	-173.4	170.5	57.2	0	0	110.6	M571 L574 L575 L580 M592 V711 M712 A713 A718 C719 F788	M571-M715 HydrophobicContact CE-CE 4.03Å; M571-M715 HydrophobicContact CE-CG 4.02Å; M571-M715 HydrophobicContact SD-CE 3.33Å; M571-M715 WeakPolarHBondContact SD-CE 3.42Å; M571-M715 HydrophobicContact SD-CG 3.9Å; M571-M715 HydrophobicContact SD-SD 3.79Å; L574-M715 HydrophobicContact CB-CG 4.45Å; L574-M715 HydrophobicContact CB-SD 4.1Å; L574-M715 HydrophobicContact CD1-CG 3.68Å; L574-M715 HydrophobicContact CD1-SD 4.4Å; L575-M715 HydrophobicContact CD2-CE 4.03Å; L575-M715 HydrophobicContact CD2-SD 4.32Å; L575-M715 HydrophobicContact CG-CE 4.46Å; L580-M715 HydrophobicContact CB-SD 4.5Å; L580-M715 HydrophobicContact CD1-SD 3.71Å; M592-M715 HydrophobicContact CE-CE 4.23Å; M592-M715 HydrophobicContact SD-CE 3.33Å; M592-M715 WeakPolarHBondContact SD-CE 3.31Å; V711-M715 VanDerWaalsContact O-CB 3.23Å; V711-M715 WeakPolarHBondContact O-CB 3.43Å; V711-M715 PolarHBondContact O-N 3.37Å; M712-M715 PolarHBondContact O-N 3.36Å; A713-M715 VanDerWaalsContact C-N 3.32Å; A713-M715 PolarHBondContact O-N 3.22Å; M715-A718 CarbonylContact O-C 3.6Å; M715-A718 PolarHBondContact O-N 3.02Å; M715-C719 PolarHBondContact O-N 3.39Å; M715-C719 PolarHBondContact O-SG 3.13Å; M715-F788 HydrophobicContact CB-CZ 4.06Å
716	M	97.8	Very high	96.8	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-61.8	-48.9	175.4	-172	58.9	77.8	0	0	111.4	V567 M571 A595 A665 T669 M712 A713 A718 C719 D720	V567-M716 HydrophobicContact CG1-SD 4.25Å; M571-M716 HydrophobicContact CE-CB 4.34Å; M571-M716 HydrophobicContact CE-CE 3.75Å; M571-M716 HydrophobicContact CE-SD 3.97Å; A595-M716 HydrophobicContact CB-CE 3.77Å; A665-M716 HydrophobicContact CB-CE 3.84Å; A665-M716 WeakPolarHBondContact O-CG 3.46Å; T669-M716 HydrophobicContact CG2-CG 3.53Å; T669-M716 HydrophobicContact CG2-SD 4.41Å; M712-M716 PolarHBondContact O-N 2.91Å; A713-M716 PolarHBondContact O-N 3.37Å; M716-A718 VanDerWaalsContact C-N 3.26Å; M716-A718 PolarHBondContact O-N 3.23Å; M716-C719 WeakPolarHBondContact O-CB 3.48Å; M716-C719 PolarHBondContact O-N 2.93Å; M716-D720 PolarHBondContact O-N 3.47Å
717	T	96.7	Very high	96.9	Very high	2 Å²	2	16.5 Å²	16.5	1%	0.012	9%	0.088	C	C	.	.	H	α-helix	trans	-59.5	-37.1	174.1	-46.3	0	0	0	0	112.1	A668 L671 Y674 A713 C719 L721	A668-T717 PolarHBondContact O-OG1 3.22Å; L671-T717 HydrophobicContact CD2-CG2 3.85Å; Y674-T717 HydrophobicContact CD2-CG2 3.83Å; Y674-T717 HydrophobicContact CE2-CG2 4.36Å; Y674-T717 HydrophobicContact CG-CG2 4.1Å; A713-T717 PolarHBondContact O-N 3.47Å; A713-T717 VanDerWaalsContact O-N 3.13Å; A713-T717 PolarHBondContact O-OG1 2.8Å; T717-C719 VanDerWaalsContact C-N 3.31Å; T717-C719 PolarHBondContact O-N 3.04Å; T717-L721 HydrophobicContact CG2-CD1 4.21Å; T717-L721 WeakPolarHBondContact O-CG 3.31Å; T717-L721 PolarHBondContact O-N 3.13Å; T717-L721 VanDerWaalsContact O-N 3.11Å
718	A	97.2	Very high	96.9	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.008	8%	0.083	C	C	.	.	H	α-helix	trans	-69.3	-27.6	175.8	0	0	0	0	0	113.1	M714 M715 M716 S722 V784 Y785 F788	M714-A718 WeakPolarHBondContact O-CB 3.4Å; M714-A718 PolarHBondContact O-N 2.89Å; M715-A718 CarbonylContact O-C 3.6Å; M715-A718 PolarHBondContact O-N 3.02Å; M716-A718 VanDerWaalsContact C-N 3.26Å; M716-A718 PolarHBondContact O-N 3.23Å; A718-S722 PolarHBondContact O-N 3.13Å; A718-V784 HydrophobicContact CB-CG2 3.95Å; A718-Y785 HydrophobicContact CB-CE1 4.05Å; A718-Y785 PolarHBondContact O-OH 2.93Å; A718-F788 HydrophobicContact CB-CD2 4.12Å; A718-F788 HydrophobicContact CB-CE2 3.78Å
719	C	98.3	Very high	96.8	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-76.2	-45	174.2	-64.9	0	0	0	0	111.4	V567 T570 M571 L574 M715 M716 T717 L721 S722	V567-C719 HydrophobicContact CG1-CB 3.82Å; T570-C719 HydrophobicContact CG2-CB 4.31Å; M571-C719 WeakPolarHBondContact CA-SG 3.16Å; M571-C719 PolarHBondContact N-SG 3.42Å; M571-C719 VanDerWaalsContact N-SG 3.42Å; L574-C719 VanDerWaalsContact CD1-SG 3.57Å; M715-C719 PolarHBondContact O-N 3.39Å; M715-C719 PolarHBondContact O-SG 3.13Å; M716-C719 WeakPolarHBondContact O-CB 3.48Å; M716-C719 PolarHBondContact O-N 2.93Å; T717-C719 VanDerWaalsContact C-N 3.31Å; T717-C719 PolarHBondContact O-N 3.04Å; C719-L721 VanDerWaalsContact C-N 3.34Å; C719-L721 PolarHBondContact O-N 3.47Å; C719-S722 WeakPolarHBondContact O-CB 3.4Å; C719-S722 PolarHBondContact O-N 3.23Å; C719-S722 VanDerWaalsContact O-N 3.08Å; C719-S722 PolarHBondContact O-OG 3.19Å
720	D	98.2	Very high	96.8	Very high	22 Å²	22	18.8 Å²	18.8	12%	0.118	10%	0.101	C	C	.	.	H	α-helix	trans	-55	-49.1	176.5	176.3	12.4	0	0	0	111.1	H563 M716 S722	H563-D720 IonicContact CE1-OD1 3.09Å; H563-D720 PolarHBondContact CE1-OD1 3.47Å; H563-D720 IonicContact NE2-OD1 3.77Å; M716-D720 PolarHBondContact O-N 3.47Å; D720-S722 PolarHBondContact O-N 3.43Å
721	L	96.6	Very high	96.7	Very high	22 Å²	22	18 Å²	18	12%	0.115	10%	0.097	C	C	.	.	G	3₁₀ helix	trans	-80.4	4.4	179.4	-57.5	-176.3	0	0	0	114.6	L671 T717 C719 A723 I724 F776 V780 Y785	L671-L721 HydrophobicContact CD2-CD1 4.31Å; T717-L721 HydrophobicContact CG2-CD1 4.21Å; T717-L721 WeakPolarHBondContact O-CG 3.31Å; T717-L721 PolarHBondContact O-N 3.13Å; T717-L721 VanDerWaalsContact O-N 3.11Å; C719-L721 VanDerWaalsContact C-N 3.34Å; C719-L721 PolarHBondContact O-N 3.47Å; L721-A723 PolarHBondContact O-N 3.06Å; L721-A723 VanDerWaalsContact O-N 3.08Å; L721-I724 WeakPolarHBondContact O-CG2 3.43Å; L721-I724 PolarHBondContact O-N 2.98Å; L721-F776 HydrophobicContact CD1-CZ 4.3Å; L721-F776 HydrophobicContact CD2-CZ 3.92Å; L721-V780 HydrophobicContact CD1-CG1 3.71Å; L721-Y785 PolarHBondContact O-OH 3.18Å
722	S	97.1	Very high	96.5	Very high	3 Å²	3	19.1 Å²	19.1	2%	0.021	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-62.9	-21.7	-168.7	66.7	0	0	0	0	115.1	T570 A718 C719 D720 I724 T725 Y785	T570-S722 PolarHBondContact OG1-OG 2.92Å; T570-S722 VanDerWaalsContact OG1-OG 3.13Å; A718-S722 PolarHBondContact O-N 3.13Å; C719-S722 WeakPolarHBondContact O-CB 3.4Å; C719-S722 PolarHBondContact O-N 3.23Å; C719-S722 VanDerWaalsContact O-N 3.08Å; C719-S722 PolarHBondContact O-OG 3.19Å; D720-S722 PolarHBondContact O-N 3.43Å; S722-I724 PolarHBondContact O-N 2.91Å; S722-I724 VanDerWaalsContact O-N 3.14Å; S722-T725 WeakPolarHBondContact O-CB 3Å; S722-T725 PolarHBondContact O-N 3.45Å; S722-T725 PolarHBondContact O-OG1 3.3Å; S722-Y785 WeakPolarHBondContact CA-OH 3.45Å; S722-Y785 PolarHBondContact N-OH 3.46Å
723	A	95.8	Very high	96.4	Very high	21 Å²	21	24.5 Å²	24.5	17%	0.174	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-56.9	-29.2	177.1	0	0	0	0	0	113	L721 T725 K726 V734	L721-A723 PolarHBondContact O-N 3.06Å; L721-A723 VanDerWaalsContact O-N 3.08Å; A723-T725 PolarHBondContact O-N 3.45Å; A723-K726 WeakPolarHBondContact O-CG 3.47Å; A723-K726 PolarHBondContact O-N 3.43Å; A723-V734 HydrophobicContact CB-CG1 3.83Å
724	I	96.1	Very high	96.3	Very high	11 Å²	11	25.1 Å²	25.1	6%	0.056	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-70.6	-15.7	178	-158.5	55.1	0	0	0	113.5	L721 S722 Q731 I777 C781 Y785 I802 N805	L721-I724 WeakPolarHBondContact O-CG2 3.43Å; L721-I724 PolarHBondContact O-N 2.98Å; S722-I724 PolarHBondContact O-N 2.91Å; S722-I724 VanDerWaalsContact O-N 3.14Å; I724-Q731 HydrophobicContact CD1-CG 3.89Å; I724-Q731 VanDerWaalsContact CD1-NE2 3.29Å; I724-I777 HydrophobicContact CD1-CD1 3.96Å; I724-I777 HydrophobicContact CD1-CG1 3.88Å; I724-I777 HydrophobicContact CG1-CD1 4.25Å; I724-I777 HydrophobicContact CG1-CG1 3.77Å; I724-C781 HydrophobicContact CG2-CB 4.24Å; I724-Y785 HydrophobicContact CG2-CE2 4.29Å; I724-I802 HydrophobicContact CG2-CD1 4.18Å; I724-I802 HydrophobicContact CG2-CG1 4.13Å; I724-N805 PolarHBondContact O-ND2 3.45Å
725	T	96.6	Very high	96.2	Very high	11 Å²	11	25.3 Å²	25.3	7%	0.067	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-92.8	-11.7	-178.1	74.8	0	0	0	0	113	S722 A723 Y785 M798 I802	S722-T725 WeakPolarHBondContact O-CB 3Å; S722-T725 PolarHBondContact O-N 3.45Å; S722-T725 PolarHBondContact O-OG1 3.3Å; A723-T725 PolarHBondContact O-N 3.45Å; T725-Y785 HydrophobicContact CG2-CD1 4.34Å; T725-Y785 HydrophobicContact CG2-CD2 4.44Å; T725-Y785 HydrophobicContact CG2-CE1 3.83Å; T725-Y785 HydrophobicContact CG2-CE2 3.88Å; T725-M798 HydrophobicContact CG2-CB 4.25Å; T725-M798 HydrophobicContact CG2-CE 3.85Å; T725-I802 HydrophobicContact CG2-CD1 3.7Å; T725-I802 HydrophobicContact CG2-CG1 3.69Å
726	K	96	Very high	96	Very high	6 Å²	6	30 Å²	30	3%	0.026	16%	0.156	C	C	.	.	S	Bend	trans	-71.7	160.1	-176.9	-54.2	-61.4	178.7	171.3	0	110.9	F506 A723 V730 N805	F506-K726 WeakPolarHBondContact O-CD 3.44Å; F506-K726 PolarHBondContact O-NZ 3.21Å; A723-K726 WeakPolarHBondContact O-CG 3.47Å; A723-K726 PolarHBondContact O-N 3.43Å; K726-V730 HydrophobicContact CB-CB 3.99Å; K726-V730 HydrophobicContact CB-CG1 3.97Å; K726-V730 HydrophobicContact CG-CG1 4.38Å; K726-N805 PolarHBondContact O-ND2 3.43Å
727	P	96.2	Very high	95.9	Very high	65 Å²	65	32.2 Å²	32.2	42%	0.422	17%	0.172	S	C	.	.			trans	-53.4	151.8	175.5	-26.1	35.2	0	0	0	112.7	R507 E729 V730 Q731	R507-P727 HydrophobicContact CB-CG 4.34Å; P727-E729 VanDerWaalsContact C-N 3.26Å; P727-E729 PolarHBondContact O-N 2.78Å; P727-E729 VanDerWaalsContact O-N 3.12Å; P727-V730 WeakPolarHBondContact O-CA 3.42Å; P727-V730 WeakPolarHBondContact O-CB 3.29Å; P727-V730 PolarHBondContact O-N 2.81Å; P727-Q731 PolarHBondContact O-N 3.43Å
728	W	96.1	Very high	95.8	Very high	52 Å²	52	33.6 Å²	33.6	20%	0.197	18%	0.18	C	C	.	.	H	α-helix	trans	-50.1	-40.9	-174.2	178.3	-108.1	0	0	0	114.7	V730 Q731 S732 E808 W809 K812	W728-V730 PolarHBondContact O-N 2.92Å; W728-Q731 PolarHBondContact O-N 3.06Å; W728-S732 VanDerWaalsContact O-CB 3.26Å; W728-S732 WeakPolarHBondContact O-CB 3.47Å; W728-S732 PolarHBondContact O-N 3.39Å; W728-S732 PolarHBondContact O-OG 3.13Å; W728-E808 HydrophobicContact CD2-CB 3.77Å; W728-E808 HydrophobicContact CD2-CG 3.92Å; W728-E808 HydrophobicContact CE3-CB 3.41Å; W728-E808 VanDerWaalsContact CE3-CB 3.41Å; W728-E808 HydrophobicContact CE3-CG 3.88Å; W728-E808 HydrophobicContact CG-CG 4.3Å; W728-E808 HydrophobicContact CH2-CB 3.71Å; W728-E808 HydrophobicContact CZ2-CB 4.05Å; W728-E808 HydrophobicContact CZ3-CB 3.36Å; W728-E808 HydrophobicContact CZ3-CG 4.34Å; W728-W809 AromaticContact CH2-CD2 3.74Å; W728-W809 HydrophobicContact CH2-CD2 3.74Å; W728-W809 AromaticContact CH2-CE2 3.67Å; W728-W809 HydrophobicContact CH2-CE3 4.09Å; W728-W809 HydrophobicContact CH2-CG 4.13Å; W728-W809 HydrophobicContact CH2-CH2 4.35Å; W728-W809 AromaticContact CH2-CZ2 3.98Å; W728-W809 HydrophobicContact CH2-CZ2 3.98Å; W728-W809 HydrophobicContact CH2-CZ3 4.4Å; W728-W809 AromaticContact CH2-NE1 3.97Å; W728-W809 AromaticContact CZ3-CD1 3.7Å; W728-W809 AromaticContact CZ3-CD2 3.95Å; W728-W809 HydrophobicContact CZ3-CD2 3.95Å; W728-W809 AromaticContact CZ3-CE2 3.65Å; W728-W809 AromaticContact CZ3-CG 3.97Å; W728-W809 HydrophobicContact CZ3-CG 3.97Å; W728-W809 HydrophobicContact CZ3-CZ2 4.21Å; W728-W809 AromaticContact CZ3-NE1 3.45Å; W728-K812 HydrophobicContact CH2-CD 4.08Å; W728-K812 HydrophobicContact CZ2-CD 3.97Å; W728-K812 VanDerWaalsContact CZ2-CE 3.44Å
729	E	94.4	Very high	95.7	Very high	130 Å²	130	33.8 Å²	33.8	61%	0.607	18%	0.182	S	C	*	.	H	α-helix	trans	-61	-28.3	178.5	-60.6	-53.7	141.5	0	0	113.5	P727	P727-E729 VanDerWaalsContact C-N 3.26Å; P727-E729 PolarHBondContact O-N 2.78Å; P727-E729 VanDerWaalsContact O-N 3.12Å
730	V	95.1	Very high	95.6	Very high	15 Å²	15	34.8 Å²	34.8	9%	0.091	19%	0.191	C	C	.	.	H	α-helix	trans	-87	-52.2	175.7	-177.5	0	0	0	0	109.8	S509 F511 K726 P727 W728 S732 K733 V734	S509-V730 WeakPolarHBondContact OG-CG2 3.41Å; F511-V730 HydrophobicContact CE2-CB 4.31Å; F511-V730 HydrophobicContact CE2-CG1 3.94Å; F511-V730 HydrophobicContact CE2-CG2 4.45Å; F511-V730 HydrophobicContact CZ-CG1 4.25Å; K726-V730 HydrophobicContact CB-CB 3.99Å; K726-V730 HydrophobicContact CB-CG1 3.97Å; K726-V730 HydrophobicContact CG-CG1 4.38Å; P727-V730 WeakPolarHBondContact O-CA 3.42Å; P727-V730 WeakPolarHBondContact O-CB 3.29Å; P727-V730 PolarHBondContact O-N 2.81Å; W728-V730 PolarHBondContact O-N 2.92Å; V730-S732 VanDerWaalsContact C-N 3.31Å; V730-S732 PolarHBondContact O-N 3.39Å; V730-K733 PolarHBondContact O-N 2.99Å; V730-V734 HydrophobicContact CG1-CG2 4.28Å; V730-V734 WeakPolarHBondContact O-CG2 3.44Å; V730-V734 PolarHBondContact O-N 3.07Å
731	Q	95.5	Very high	95.5	Very high	4 Å²	4	34.1 Å²	34.1	2%	0.019	19%	0.187	C	C	.	.	H	α-helix	trans	-58.8	-42.3	-174.7	-173.4	-75.3	-31.1	0	0	112	I724 P727 W728 K733 V734 A735	I724-Q731 HydrophobicContact CD1-CG 3.89Å; I724-Q731 VanDerWaalsContact CD1-NE2 3.29Å; P727-Q731 PolarHBondContact O-N 3.43Å; W728-Q731 PolarHBondContact O-N 3.06Å; Q731-K733 VanDerWaalsContact C-N 3.33Å; Q731-K733 PolarHBondContact O-N 3.14Å; Q731-V734 PolarHBondContact O-N 2.97Å; Q731-A735 WeakPolarHBondContact O-CB 3.25Å; Q731-A735 PolarHBondContact O-N 2.97Å
732	S	93.2	Very high	95.5	Very high	23 Å²	23	35.5 Å²	35.5	16%	0.161	19%	0.192	C	C	.	.	H	α-helix	trans	-62.6	-38.5	-178.9	58.3	0	0	0	0	112.6	W728 V730 L736	W728-S732 VanDerWaalsContact O-CB 3.26Å; W728-S732 WeakPolarHBondContact O-CB 3.47Å; W728-S732 PolarHBondContact O-N 3.39Å; W728-S732 PolarHBondContact O-OG 3.13Å; V730-S732 VanDerWaalsContact C-N 3.31Å; V730-S732 PolarHBondContact O-N 3.39Å; S732-L736 WeakPolarHBondContact O-CG 3.48Å; S732-L736 PolarHBondContact O-N 3.4Å
733	K	95.1	Very high	95.4	Very high	116 Å²	116	37 Å²	37	50%	0.504	20%	0.197	S	C	.	.	H	α-helix	trans	-70.1	-45	175.6	-68	176.6	-177.3	171.3	0	111.5	F511 V730 Q731 A735 L736 S737	F511-K733 HydrophobicContact CD2-CD 4.2Å; F511-K733 HydrophobicContact CE2-CB 3.96Å; F511-K733 HydrophobicContact CE2-CD 3.61Å; F511-K733 HydrophobicContact CE2-CG 4.39Å; F511-K733 HydrophobicContact CZ-CB 3.88Å; F511-K733 HydrophobicContact CZ-CD 4.22Å; V730-K733 PolarHBondContact O-N 2.99Å; Q731-K733 VanDerWaalsContact C-N 3.33Å; Q731-K733 PolarHBondContact O-N 3.14Å; K733-A735 VanDerWaalsContact C-N 3.33Å; K733-A735 PolarHBondContact O-N 3Å; K733-L736 WeakPolarHBondContact O-CB 3.5Å; K733-L736 PolarHBondContact O-N 3.27Å; K733-S737 PolarHBondContact O-N 2.96Å; K733-S737 VanDerWaalsContact O-N 3.09Å; K733-S737 PolarHBondContact O-OG 2.74Å
734	V	95.3	Very high	95.4	Very high	23 Å²	23	40.1 Å²	40.1	14%	0.139	21%	0.208	C	C	.	.	H	α-helix	trans	-61.5	-42.9	178.2	175.3	0	0	0	0	111.3	F511 Y558 A723 V730 Q731 L736 S737 V738	F511-V734 HydrophobicContact CZ-CG2 4.1Å; Y558-V734 HydrophobicContact CD2-CG1 3.98Å; Y558-V734 HydrophobicContact CE2-CG1 3.46Å; Y558-V734 VanDerWaalsContact CE2-CG1 3.46Å; A723-V734 HydrophobicContact CB-CG1 3.83Å; V730-V734 HydrophobicContact CG1-CG2 4.28Å; V730-V734 WeakPolarHBondContact O-CG2 3.44Å; V730-V734 PolarHBondContact O-N 3.07Å; Q731-V734 PolarHBondContact O-N 2.97Å; V734-L736 PolarHBondContact O-N 2.85Å; V734-S737 PolarHBondContact O-N 3.37Å; V734-S737 VanDerWaalsContact O-N 3.09Å; V734-V738 HydrophobicContact CG1-CG2 4.25Å; V734-V738 WeakPolarHBondContact O-CG2 3.4Å; V734-V738 PolarHBondContact O-N 2.7Å
735	A	94.6	Very high	95.4	Very high	4 Å²	4	39.8 Å²	39.8	3%	0.033	21%	0.206	C	C	.	.	H	α-helix	trans	-59.6	-34.8	177.4	0	0	0	0	0	112.8	Q731 K733 A739 W809	Q731-A735 WeakPolarHBondContact O-CB 3.25Å; Q731-A735 PolarHBondContact O-N 2.97Å; K733-A735 VanDerWaalsContact C-N 3.33Å; K733-A735 PolarHBondContact O-N 3Å; A735-A739 VanDerWaalsContact O-CB 3.29Å; A735-A739 WeakPolarHBondContact O-CB 3.42Å; A735-A739 PolarHBondContact O-N 3.2Å; A735-W809 HydrophobicContact CB-CH2 4.14Å; A735-W809 HydrophobicContact CB-CZ2 3.65Å
736	L	94.2	Very high	95.4	Very high	98 Å²	98	39.3 Å²	39.3	51%	0.513	20%	0.203	S	C	.	.	H	α-helix	trans	-70.6	-40	174.3	-70	171.6	0	0	0	112.1	S732 K733 V734 A739 A740 L769	S732-L736 WeakPolarHBondContact O-CG 3.48Å; S732-L736 PolarHBondContact O-N 3.4Å; K733-L736 WeakPolarHBondContact O-CB 3.5Å; K733-L736 PolarHBondContact O-N 3.27Å; V734-L736 PolarHBondContact O-N 2.85Å; L736-A739 PolarHBondContact O-N 2.9Å; L736-A740 WeakPolarHBondContact O-CB 3.4Å; L736-A740 PolarHBondContact O-N 2.88Å; L736-L769 HydrophobicContact CD2-CD2 4.19Å
737	S	95.3	Very high	95.3	Very high	48 Å²	48	41.1 Å²	41.1	34%	0.336	21%	0.213	S	C	.	.	H	α-helix	trans	-62.1	-45	174.9	-61	0	0	0	0	111.9	K733 V734 A740 E741	K733-S737 PolarHBondContact O-N 2.96Å; K733-S737 VanDerWaalsContact O-N 3.09Å; K733-S737 PolarHBondContact O-OG 2.74Å; V734-S737 PolarHBondContact O-N 3.37Å; V734-S737 VanDerWaalsContact O-N 3.09Å; S737-A740 PolarHBondContact O-N 3.19Å; S737-E741 PolarHBondContact O-N 2.9Å; S737-E741 VanDerWaalsContact O-N 3.09Å
738	V	95.5	Very high	95.2	Very high	30 Å²	30	41.5 Å²	41.5	18%	0.182	21%	0.212	C	C	.	.	H	α-helix	trans	-62.3	-45	175.9	174.2	0	0	0	0	110.9	Y558 V734 A740 E741 F742	Y558-V738 HydrophobicContact CD1-CG2 3.73Å; Y558-V738 HydrophobicContact CD2-CG2 3.41Å; Y558-V738 VanDerWaalsContact CD2-CG2 3.41Å; Y558-V738 HydrophobicContact CE1-CG2 3.86Å; Y558-V738 HydrophobicContact CE2-CG2 3.54Å; Y558-V738 HydrophobicContact CG-CG2 3.5Å; Y558-V738 VanDerWaalsContact CG-CG2 3.5Å; V734-V738 HydrophobicContact CG1-CG2 4.25Å; V734-V738 WeakPolarHBondContact O-CG2 3.4Å; V734-V738 PolarHBondContact O-N 2.7Å; V738-A740 VanDerWaalsContact C-N 3.33Å; V738-A740 PolarHBondContact O-N 3.33Å; V738-E741 PolarHBondContact O-N 3.06Å; V738-F742 HydrophobicContact CG1-CD2 3.7Å; V738-F742 HydrophobicContact CG1-CE2 3.49Å; V738-F742 VanDerWaalsContact CG1-CE2 3.49Å; V738-F742 VanDerWaalsContact O-CD2 3.25Å; V738-F742 WeakPolarHBondContact O-CD2 3.47Å; V738-F742 PolarHBondContact O-N 3.05Å
739	A	94.5	Very high	95.2	Very high	5 Å²	5	39.4 Å²	39.4	4%	0.041	20%	0.204	C	C	.	.	H	α-helix	trans	-62.8	-40.3	177.4	0	0	0	0	0	112	A735 L736 E741 F742 W743 L769	A735-A739 VanDerWaalsContact O-CB 3.29Å; A735-A739 WeakPolarHBondContact O-CB 3.42Å; A735-A739 PolarHBondContact O-N 3.2Å; L736-A739 PolarHBondContact O-N 2.9Å; A739-E741 PolarHBondContact O-N 2.89Å; A739-F742 PolarHBondContact O-N 3.42Å; A739-W743 HydrophobicContact CB-CH2 4Å; A739-W743 HydrophobicContact CB-CZ2 3.78Å; A739-W743 HydrophobicContact CB-CZ3 4.48Å; A739-W743 PolarHBondContact O-N 3.22Å; A739-L769 HydrophobicContact CB-CD1 4.06Å; A739-L769 HydrophobicContact CB-CD2 4Å
740	A	95.4	Very high	95.2	Very high	22 Å²	22	36.5 Å²	36.5	18%	0.182	19%	0.187	C	C	.	.	H	α-helix	trans	-60.4	-43.7	176.5	0	0	0	0	0	112	L736 S737 V738 W743 E744	L736-A740 WeakPolarHBondContact O-CB 3.4Å; L736-A740 PolarHBondContact O-N 2.88Å; S737-A740 PolarHBondContact O-N 3.19Å; V738-A740 VanDerWaalsContact C-N 3.33Å; V738-A740 PolarHBondContact O-N 3.33Å; A740-W743 PolarHBondContact O-N 3.18Å; A740-E744 WeakPolarHBondContact O-CG 3.43Å; A740-E744 PolarHBondContact O-N 3.48Å
741	E	96.6	Very high	95.2	Very high	8 Å²	8	41.1 Å²	41.1	4%	0.037	22%	0.216	C	C	.	.	H	α-helix	trans	-64.1	-42.4	175.9	-160.3	173.8	-153.5	0	0	112.2	I556 T557 Y558 H559 G605 S737 V738 A739 W743 E744 Q745	I556-E741 WeakPolarHBondContact CD1-OE1 3.3Å; T557-E741 VanDerWaalsContact OG1-CB 3.26Å; T557-E741 WeakPolarHBondContact OG1-CB 3.5Å; T557-E741 WeakPolarHBondContact OG1-CG 3.36Å; Y558-E741 WeakPolarHBondContact CB-OE2 3.35Å; H559-E741 IonicContact CE1-OE2 3.82Å; H559-E741 PolarHBondContact CE1-OE2 2.86Å; H559-E741 IonicContact CG-OE1 3.2Å; H559-E741 IonicContact CG-OE2 2.84Å; H559-E741 IonicContact ND1-OE1 3.47Å; H559-E741 PolarHBondContact ND1-OE1 3.48Å; H559-E741 IonicContact ND1-OE2 2.65Å; H559-E741 PolarHBondContact ND1-OE2 3.39Å; G605-E741 VanDerWaalsContact CA-OE1 3.3Å; G605-E741 WeakPolarHBondContact CA-OE1 3.42Å; S737-E741 PolarHBondContact O-N 2.9Å; S737-E741 VanDerWaalsContact O-N 3.09Å; V738-E741 PolarHBondContact O-N 3.06Å; A739-E741 PolarHBondContact O-N 2.89Å; E741-W743 VanDerWaalsContact C-N 3.29Å; E741-W743 PolarHBondContact O-N 3.46Å; E741-E744 PolarHBondContact O-N 3.28Å; E741-Q745 PolarHBondContact O-N 3.25Å
742	F	95.9	Very high	95.1	Very high	51 Å²	51	45.2 Å²	45.2	22%	0.224	24%	0.241	C	C	.	.	H	α-helix	trans	-62.3	-35.7	173.7	-82.4	-59.2	0	0	0	112.8	V738 A739 G746 M760 M761	V738-F742 HydrophobicContact CG1-CD2 3.7Å; V738-F742 HydrophobicContact CG1-CE2 3.49Å; V738-F742 VanDerWaalsContact CG1-CE2 3.49Å; V738-F742 VanDerWaalsContact O-CD2 3.25Å; V738-F742 WeakPolarHBondContact O-CD2 3.47Å; V738-F742 PolarHBondContact O-N 3.05Å; A739-F742 PolarHBondContact O-N 3.42Å; F742-G746 PolarHBondContact O-N 3.18Å; F742-M760 HydrophobicContact CD1-CE 4.49Å; F742-M760 HydrophobicContact CD2-CE 3.76Å; F742-M760 HydrophobicContact CE1-CE 4.2Å; F742-M760 HydrophobicContact CE2-CE 3.41Å; F742-M760 VanDerWaalsContact CE2-CE 3.41Å; F742-M760 HydrophobicContact CG-CE 4.3Å; F742-M760 HydrophobicContact CZ-CE 3.66Å; F742-M761 HydrophobicContact CB-CG 4.11Å; F742-M761 HydrophobicContact CD1-CE 3.66Å; F742-M761 HydrophobicContact CD1-CG 4Å; F742-M761 HydrophobicContact CE1-CE 3.89Å; F742-M761 HydrophobicContact CG-CG 4.44Å; F742-M761 WeakPolarHBondContact O-CB 3.42Å
743	W	96.1	Very high	95.1	Very high	34 Å²	34	45.9 Å²	45.9	13%	0.129	24%	0.242	C	C	.	.	H	α-helix	trans	-70.3	-39.7	175	-61.2	-25.1	0	0	0	112.1	A739 A740 E741 Q745 G746 D747 R763 A766	A739-W743 HydrophobicContact CB-CH2 4Å; A739-W743 HydrophobicContact CB-CZ2 3.78Å; A739-W743 HydrophobicContact CB-CZ3 4.48Å; A739-W743 PolarHBondContact O-N 3.22Å; A740-W743 PolarHBondContact O-N 3.18Å; E741-W743 VanDerWaalsContact C-N 3.29Å; E741-W743 PolarHBondContact O-N 3.46Å; W743-Q745 VanDerWaalsContact C-N 3.33Å; W743-Q745 PolarHBondContact O-N 3.05Å; W743-G746 PolarHBondContact O-N 2.81Å; W743-D747 WeakPolarHBondContact O-CB 3.41Å; W743-D747 PolarHBondContact O-N 2.88Å; W743-R763 HydrophobicContact CB-CB 4.07Å; W743-R763 HydrophobicContact CB-CG 4.32Å; W743-R763 HydrophobicContact CD2-CB 4.17Å; W743-R763 HydrophobicContact CD2-CG 3.9Å; W743-R763 HydrophobicContact CE3-CG 3.85Å; W743-R763 HydrophobicContact CG-CB 3.91Å; W743-R763 HydrophobicContact CG-CG 4.11Å; W743-A766 HydrophobicContact CH2-CB 3.63Å; W743-A766 HydrophobicContact CZ2-CB 3.43Å; W743-A766 VanDerWaalsContact CZ2-CB 3.43Å
744	E	95.8	Very high	95	Very high	87 Å²	87	48.9 Å²	48.9	41%	0.407	26%	0.258	S	S	.	.	H	α-helix	trans	-59.1	-44.7	172.6	-73.4	167.8	-173.5	0	0	111	A740 E741 D747 L748	A740-E744 WeakPolarHBondContact O-CG 3.43Å; A740-E744 PolarHBondContact O-N 3.48Å; E741-E744 PolarHBondContact O-N 3.28Å; E744-D747 PolarHBondContact O-N 3.1Å; E744-L748 WeakPolarHBondContact O-CG 3.49Å; E744-L748 PolarHBondContact O-N 3.4Å
745	Q	96.1	Very high	94.9	Very high	4 Å²	4	51.7 Å²	51.7	2%	0.019	27%	0.27	C	S	.	.	H	α-helix	trans	-61.7	-45.1	171.7	179.4	178.5	-31.4	0	0	111.9	T606 N607 Y610 E741 W743 D747 L748 E749	T606-Q745 VanDerWaalsContact CA-OE1 3.3Å; T606-Q745 HydrophobicContact CG2-CB 4.46Å; T606-Q745 HydrophobicContact CG2-CG 4.21Å; N607-Q745 VanDerWaalsContact CG-NE2 3.31Å; N607-Q745 PolarHBondContact ND2-NE2 3.5Å; N607-Q745 PolarHBondContact OD1-NE2 3.44Å; N607-Q745 VanDerWaalsContact OD1-NE2 3.08Å; Y610-Q745 HydrophobicContact CD2-CG 4.42Å; E741-Q745 PolarHBondContact O-N 3.25Å; W743-Q745 VanDerWaalsContact C-N 3.33Å; W743-Q745 PolarHBondContact O-N 3.05Å; Q745-D747 VanDerWaalsContact C-N 3.27Å; Q745-D747 PolarHBondContact O-N 3.49Å; Q745-L748 WeakPolarHBondContact O-CA 3.33Å; Q745-L748 WeakPolarHBondContact O-CB 3.33Å; Q745-L748 PolarHBondContact O-N 3.31Å; Q745-L748 VanDerWaalsContact O-N 3.11Å; Q745-E749 HydrophobicContact CG-CG 4.48Å; Q745-E749 PolarHBondContact NE2-OE1 3.37Å; Q745-E749 PolarHBondContact O-N 3.2Å
746	G	96	Very high	94.7	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-60.5	-36.5	178.9	0	0	0	0	0	113.1	F742 W743 E749 R750	F742-G746 PolarHBondContact O-N 3.18Å; W743-G746 PolarHBondContact O-N 2.81Å; G746-E749 PolarHBondContact O-N 2.83Å; G746-R750 WeakPolarHBondContact O-CB 3.23Å; G746-R750 PolarHBondContact O-N 3.06Å
747	D	95.4	Very high	94.6	Very high	45 Å²	45	54.8 Å²	54.8	24%	0.241	28%	0.282	C	S	.	.	H	α-helix	trans	-69.2	-36	175.2	-66.3	-26.8	0	0	0	111.4	W743 E744 Q745 R750 T751 R763	W743-D747 WeakPolarHBondContact O-CB 3.41Å; W743-D747 PolarHBondContact O-N 2.88Å; E744-D747 PolarHBondContact O-N 3.1Å; Q745-D747 VanDerWaalsContact C-N 3.27Å; Q745-D747 PolarHBondContact O-N 3.49Å; D747-R750 PolarHBondContact O-N 2.89Å; D747-R750 IonicContact OD1-CZ 3.48Å; D747-R750 IonicContact OD1-NE 2.7Å; D747-R750 IonicContact OD1-NH2 2.71Å; D747-R750 PolarHBondContact OD1-NH2 3.21Å; D747-T751 WeakPolarHBondContact O-CB 3.27Å; D747-T751 PolarHBondContact O-N 2.91Å; D747-T751 PolarHBondContact O-OG1 3.43Å; D747-R763 IonicContact OD2-CZ 3.7Å; D747-R763 IonicContact OD2-NE 2.65Å; D747-R763 PolarHBondContact OD2-NE 2.85Å; D747-R763 IonicContact OD2-NH2 2.62Å; D747-R763 PolarHBondContact OD2-NH2 3.15Å
748	L	94.2	Very high	94.5	Very high	73 Å²	73	57.2 Å²	57.2	38%	0.382	29%	0.29	S	S	.	.	H	α-helix	trans	-65.4	-43.5	170.1	-71.2	172.7	0	0	0	112.4	T606 Y610 E744 Q745 R750 T751 V752	T606-L748 HydrophobicContact CG2-CD1 4.14Å; Y610-L748 HydrophobicContact CE2-CB 4.31Å; E744-L748 WeakPolarHBondContact O-CG 3.49Å; E744-L748 PolarHBondContact O-N 3.4Å; Q745-L748 WeakPolarHBondContact O-CA 3.33Å; Q745-L748 WeakPolarHBondContact O-CB 3.33Å; Q745-L748 PolarHBondContact O-N 3.31Å; Q745-L748 VanDerWaalsContact O-N 3.11Å; L748-R750 VanDerWaalsContact C-N 3.28Å; L748-R750 PolarHBondContact O-N 2.85Å; L748-T751 PolarHBondContact O-N 3.21Å; L748-V752 HydrophobicContact CD2-CG2 4.48Å; L748-V752 WeakPolarHBondContact O-CB 3.33Å; L748-V752 PolarHBondContact O-N 3.46Å
749	E	94.5	Very high	94.2	Very high	8 Å²	8	58.6 Å²	58.6	4%	0.037	30%	0.3	C	S	.	.	H	α-helix	trans	-60.6	-40.2	176.1	-72.5	-171.1	-164.2	0	0	111.4	Y610 K613 Q745 G746 L753 E754 Q755	Y610-E749 HydrophobicContact CD2-CG 3.56Å; Y610-E749 HydrophobicContact CE2-CG 3.77Å; K613-E749 IonicContact NZ-OE2 2.88Å; Q745-E749 HydrophobicContact CG-CG 4.48Å; Q745-E749 PolarHBondContact NE2-OE1 3.37Å; Q745-E749 PolarHBondContact O-N 3.2Å; G746-E749 PolarHBondContact O-N 2.83Å; E749-L753 HydrophobicContact CG-CD1 4.2Å; E749-L753 CarbonylContact O-C 3.28Å; E749-L753 WeakPolarHBondContact O-CA 3.36Å; E749-L753 VanDerWaalsContact O-CB 3.31Å; E749-L753 WeakPolarHBondContact O-CB 3.42Å; E749-L753 PolarHBondContact O-N 3.28Å; E749-L753 VanDerWaalsContact O-N 3.16Å; E749-E754 PolarHBondContact O-N 2.79Å; E749-Q755 PolarHBondContact O-N 3.45Å
750	R	94.7	Very high	94	Very high	69 Å²	69	62.3 Å²	62.3	26%	0.26	32%	0.317	S	S	.	.	H	α-helix	trans	-66.4	-41.7	177.4	-158.1	-170	-35.5	-116.7	6.8	112.8	G746 D747 L748 E754 Q755 D762	G746-R750 WeakPolarHBondContact O-CB 3.23Å; G746-R750 PolarHBondContact O-N 3.06Å; D747-R750 PolarHBondContact O-N 2.89Å; D747-R750 IonicContact OD1-CZ 3.48Å; D747-R750 IonicContact OD1-NE 2.7Å; D747-R750 IonicContact OD1-NH2 2.71Å; D747-R750 PolarHBondContact OD1-NH2 3.21Å; L748-R750 VanDerWaalsContact C-N 3.28Å; L748-R750 PolarHBondContact O-N 2.85Å; R750-E754 WeakPolarHBondContact O-CA 3.39Å; R750-Q755 VanDerWaalsContact CA-O 3.3Å; R750-Q755 WeakPolarHBondContact CA-O 3.47Å; R750-D762 IonicContact CZ-OD1 3.51Å; R750-D762 IonicContact NH1-OD1 2.95Å; R750-D762 IonicContact NH2-OD1 3.98Å; R750-D762 PolarHBondContact NH2-OD1 3.42Å
751	T	95	Very high	93.8	Very high	111 Å²	111	61.9 Å²	61.9	68%	0.681	31%	0.312	S	S	*	.	H	α-helix	trans	-86.4	-40.6	-171.9	-51.9	0	0	0	0	112.6	D747 L748	D747-T751 WeakPolarHBondContact O-CB 3.27Å; D747-T751 PolarHBondContact O-N 2.91Å; D747-T751 PolarHBondContact O-OG1 3.43Å; L748-T751 PolarHBondContact O-N 3.21Å
752	V	94.2	Very high	93.6	Very high	91 Å²	91	62.5 Å²	62.5	55%	0.552	32%	0.315	S	S	*	.	H	α-helix	trans	-95.2	-37.8	-173.2	-177.8	0	0	0	0	111.9	L748	L748-V752 HydrophobicContact CD2-CG2 4.48Å; L748-V752 WeakPolarHBondContact O-CB 3.33Å; L748-V752 PolarHBondContact O-N 3.46Å
753	L	92.6	Very high	93.5	Very high	37 Å²	37	65.2 Å²	65.2	19%	0.194	32%	0.324	C	S	.	.	S	Bend	trans	-99.5	-5.3	-178	-51.6	178.6	0	0	0	113	Y610 K613 E749 Q755	Y610-L753 HydrophobicContact CD2-CD1 4.1Å; Y610-L753 HydrophobicContact CE2-CD1 3.89Å; Y610-L753 HydrophobicContact CE2-CG 4.32Å; K613-L753 HydrophobicContact CB-CD1 3.78Å; K613-L753 HydrophobicContact CD-CD1 4.01Å; E749-L753 HydrophobicContact CG-CD1 4.2Å; E749-L753 CarbonylContact O-C 3.28Å; E749-L753 WeakPolarHBondContact O-CA 3.36Å; E749-L753 VanDerWaalsContact O-CB 3.31Å; E749-L753 WeakPolarHBondContact O-CB 3.42Å; E749-L753 PolarHBondContact O-N 3.28Å; E749-L753 VanDerWaalsContact O-N 3.16Å; L753-Q755 HydrophobicContact CB-CB 4.46Å; L753-Q755 HydrophobicContact CB-CG 4.31Å; L753-Q755 PolarHBondContact O-N 3.12Å; L753-Q755 VanDerWaalsContact O-N 3.15Å
754	E	93.8	Very high	93.2	Very high	178 Å²	178	70 Å²	70	83%	0.832	35%	0.352	S	S	*	.			trans	53.4	31.5	-176	-58.1	-177.8	176	0	0	113.1	E749 R750	E749-E754 PolarHBondContact O-N 2.79Å; R750-E754 WeakPolarHBondContact O-CA 3.39Å
755	Q	92.1	Very high	92.9	Very high	83 Å²	83	69.7 Å²	69.7	39%	0.388	35%	0.35	S	S	.	.			trans	-106.3	146.3	-179.1	-74.7	175	20	0	0	111.3	E749 R750 L753 P757	E749-Q755 PolarHBondContact O-N 3.45Å; R750-Q755 VanDerWaalsContact CA-O 3.3Å; R750-Q755 WeakPolarHBondContact CA-O 3.47Å; L753-Q755 HydrophobicContact CB-CB 4.46Å; L753-Q755 HydrophobicContact CB-CG 4.31Å; L753-Q755 PolarHBondContact O-N 3.12Å; L753-Q755 VanDerWaalsContact O-N 3.15Å; Q755-P757 WeakPolarHBondContact O-CD 3.22Å
756	Q	91.1	Very high	92.6	Very high	153 Å²	153	71.2 Å²	71.2	72%	0.715	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-76.6	120.6	169.4	-70.8	-62	-23.5	0	0	109.6
757	P	92.6	Very high	92.3	Very high	14 Å²	14	73.5 Å²	73.5	9%	0.091	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-67.8	156.9	178.5	28.6	-34.3	0	0	0	111	Q755 M761 D762	Q755-P757 WeakPolarHBondContact O-CD 3.22Å; P757-M761 HydrophobicContact CB-CB 4.04Å; P757-D762 HydrophobicContact CG-CB 4.45Å
758	I	92.1	Very high	92.1	Very high	99 Å²	99	74.2 Å²	74.2	51%	0.508	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-65.5	156.4	172.9	59.9	169.7	0	0	0	110.8	M760 M761 D762	I758-M760 HydrophobicContact CD1-CB 4.21Å; I758-M760 HydrophobicContact CG1-CB 4.38Å; I758-M760 PolarHBondContact O-N 2.68Å; I758-M761 HydrophobicContact CD1-SD 4.37Å; I758-M761 HydrophobicContact CG1-CB 4.37Å; I758-M761 HydrophobicContact CG1-CG 4.18Å; I758-M761 HydrophobicContact CG1-SD 4.01Å; I758-M761 PolarHBondContact O-N 2.96Å; I758-D762 PolarHBondContact O-N 2.98Å
759	P	89.3	Confident	92	Very high	58 Å²	58	71.8 Å²	71.8	38%	0.377	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-51.7	-33	-176.9	-31.4	37.2	0	0	0	115.6	M761 D762 K765	P759-M761 PolarHBondContact O-N 2.61Å; P759-D762 PolarHBondContact O-N 2.81Å; P759-K765 HydrophobicContact CB-CD 3.74Å; P759-K765 HydrophobicContact CG-CD 4.3Å
760	M	89.8	Confident	92	Very high	84 Å²	84	72.2 Å²	72.2	41%	0.414	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-63.3	-29.2	177.7	-178.5	173.7	170.1	0	0	113.4	F742 I758 L772	F742-M760 HydrophobicContact CD1-CE 4.49Å; F742-M760 HydrophobicContact CD2-CE 3.76Å; F742-M760 HydrophobicContact CE1-CE 4.2Å; F742-M760 HydrophobicContact CE2-CE 3.41Å; F742-M760 VanDerWaalsContact CE2-CE 3.41Å; F742-M760 HydrophobicContact CG-CE 4.3Å; F742-M760 HydrophobicContact CZ-CE 3.66Å; I758-M760 HydrophobicContact CD1-CB 4.21Å; I758-M760 HydrophobicContact CG1-CB 4.38Å; I758-M760 PolarHBondContact O-N 2.68Å; M760-L772 HydrophobicContact CB-CD1 4.16Å; M760-L772 HydrophobicContact CG-CD1 4.39Å
761	M	92.6	Very high	91.9	Very high	12 Å²	12	74.6 Å²	74.6	6%	0.059	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-103.5	3	-179	-66.6	169.4	178.4	0	0	112.1	N607 F742 P757 I758 P759	N607-M761 WeakPolarHBondContact ND2-CE 3.39Å; F742-M761 HydrophobicContact CB-CG 4.11Å; F742-M761 HydrophobicContact CD1-CE 3.66Å; F742-M761 HydrophobicContact CD1-CG 4Å; F742-M761 HydrophobicContact CE1-CE 3.89Å; F742-M761 HydrophobicContact CG-CG 4.44Å; F742-M761 WeakPolarHBondContact O-CB 3.42Å; P757-M761 HydrophobicContact CB-CB 4.04Å; I758-M761 HydrophobicContact CD1-SD 4.37Å; I758-M761 HydrophobicContact CG1-CB 4.37Å; I758-M761 HydrophobicContact CG1-CG 4.18Å; I758-M761 HydrophobicContact CG1-SD 4.01Å; I758-M761 PolarHBondContact O-N 2.96Å; P759-M761 PolarHBondContact O-N 2.61Å
762	D	92.1	Very high	91.8	Very high	21 Å²	21	72.4 Å²	72.4	11%	0.112	37%	0.37	C	S	.	.			trans	-95.6	112.2	178.3	-172	11.1	0	0	0	111.2	R750 P757 I758 P759 N764 K765	R750-D762 IonicContact CZ-OD1 3.51Å; R750-D762 IonicContact NH1-OD1 2.95Å; R750-D762 IonicContact NH2-OD1 3.98Å; R750-D762 PolarHBondContact NH2-OD1 3.42Å; P757-D762 HydrophobicContact CG-CB 4.45Å; I758-D762 PolarHBondContact O-N 2.98Å; P759-D762 PolarHBondContact O-N 2.81Å; D762-N764 PolarHBondContact O-N 3.19Å; D762-N764 VanDerWaalsContact O-N 3.13Å; D762-N764 PolarHBondContact OD1-N 3.38Å; D762-N764 PolarHBondContact OD1-ND2 3.43Å; D762-K765 HydrophobicContact CB-CG 4.46Å; D762-K765 PolarHBondContact O-N 3.35Å
763	R	92.6	Very high	91.8	Very high	108 Å²	108	69.3 Å²	69.3	41%	0.408	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-57.8	-28.2	179.2	-161.8	-176.1	-56.6	-110.5	-0.9	112.9	W743 D747 K765 A766	W743-R763 HydrophobicContact CB-CB 4.07Å; W743-R763 HydrophobicContact CB-CG 4.32Å; W743-R763 HydrophobicContact CD2-CB 4.17Å; W743-R763 HydrophobicContact CD2-CG 3.9Å; W743-R763 HydrophobicContact CE3-CG 3.85Å; W743-R763 HydrophobicContact CG-CB 3.91Å; W743-R763 HydrophobicContact CG-CG 4.11Å; D747-R763 IonicContact OD2-CZ 3.7Å; D747-R763 IonicContact OD2-NE 2.65Å; D747-R763 PolarHBondContact OD2-NE 2.85Å; D747-R763 IonicContact OD2-NH2 2.62Å; D747-R763 PolarHBondContact OD2-NH2 3.15Å; R763-K765 PolarHBondContact O-N 3.27Å; R763-A766 WeakPolarHBondContact O-CB 3.22Å; R763-A766 PolarHBondContact O-N 2.93Å
764	N	90.3	Very high	92	Very high	134 Å²	134	68 Å²	68	72%	0.717	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-69.4	-16.6	177.5	-61.9	-47.5	0	0	0	113.1	D762	D762-N764 PolarHBondContact O-N 3.19Å; D762-N764 VanDerWaalsContact O-N 3.13Å; D762-N764 PolarHBondContact OD1-N 3.38Å; D762-N764 PolarHBondContact OD1-ND2 3.43Å
765	K	90.3	Very high	92	Very high	82 Å²	82	61.5 Å²	61.5	36%	0.357	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-104.3	19.4	177.6	-63.3	-170.3	176.4	-171.6	0	112.9	P759 D762 R763 A767 E768	P759-K765 HydrophobicContact CB-CD 3.74Å; P759-K765 HydrophobicContact CG-CD 4.3Å; D762-K765 HydrophobicContact CB-CG 4.46Å; D762-K765 PolarHBondContact O-N 3.35Å; R763-K765 PolarHBondContact O-N 3.27Å; K765-A767 PolarHBondContact O-N 3.12Å; K765-E768 WeakPolarHBondContact O-CB 3.5Å; K765-E768 PolarHBondContact O-N 2.97Å
766	A	89.3	Confident	92.1	Very high	36 Å²	36	60.7 Å²	60.7	30%	0.298	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-53.4	-31.2	-179.7	0	0	0	0	0	113.9	W743 R763 E768 L769	W743-A766 HydrophobicContact CH2-CB 3.63Å; W743-A766 HydrophobicContact CZ2-CB 3.43Å; W743-A766 VanDerWaalsContact CZ2-CB 3.43Å; R763-A766 WeakPolarHBondContact O-CB 3.22Å; R763-A766 PolarHBondContact O-N 2.93Å; A766-E768 PolarHBondContact O-N 2.97Å; A766-L769 WeakPolarHBondContact O-CB 3.47Å; A766-L769 PolarHBondContact O-N 2.99Å; A766-L769 VanDerWaalsContact O-N 3.1Å
767	A	89.1	Confident	92.3	Very high	47 Å²	47	53.4 Å²	53.4	39%	0.388	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-67	-18.8	178.3	0	0	0	0	0	113.8	K765 L769 P770 Y816	K765-A767 PolarHBondContact O-N 3.12Å; A767-L769 VanDerWaalsContact C-N 3.31Å; A767-P770 WeakPolarHBondContact O-CD 3.4Å; A767-Y816 HydrophobicContact CB-CD2 4.01Å; A767-Y816 HydrophobicContact CB-CE1 4.26Å; A767-Y816 HydrophobicContact CB-CE2 3.37Å; A767-Y816 VanDerWaalsContact CB-CZ 3.49Å; A767-Y816 WeakPolarHBondContact O-CD1 3.26Å
768	E	91.2	Very high	92.4	Very high	61 Å²	61	56 Å²	56	29%	0.285	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-81.5	-6.5	174	-61.9	-178.4	-156.4	0	0	113.2	K765 A766 P770 K771 L772 Y816	K765-E768 WeakPolarHBondContact O-CB 3.5Å; K765-E768 PolarHBondContact O-N 2.97Å; A766-E768 PolarHBondContact O-N 2.97Å; E768-P770 VanDerWaalsContact C-CD 3.43Å; E768-K771 WeakPolarHBondContact O-CB 3.31Å; E768-K771 PolarHBondContact O-N 3.5Å; E768-L772 PolarHBondContact O-N 2.93Å; E768-Y816 HydrophobicContact CG-CE1 4.22Å
769	L	92.6	Very high	92.4	Very high	22 Å²	22	57.6 Å²	57.6	12%	0.115	30%	0.302	C	S	.	.	H	α-helix	trans	-50.4	-43.6	-178	179.6	64.8	0	0	0	114	L736 A739 A766 A767 K771 L772 Q773	L736-L769 HydrophobicContact CD2-CD2 4.19Å; A739-L769 HydrophobicContact CB-CD1 4.06Å; A739-L769 HydrophobicContact CB-CD2 4Å; A766-L769 WeakPolarHBondContact O-CB 3.47Å; A766-L769 PolarHBondContact O-N 2.99Å; A766-L769 VanDerWaalsContact O-N 3.1Å; A767-L769 VanDerWaalsContact C-N 3.31Å; L769-K771 VanDerWaalsContact C-N 3.29Å; L769-K771 PolarHBondContact O-N 3.08Å; L769-L772 PolarHBondContact O-N 3.3Å; L769-Q773 HydrophobicContact CD1-CG 3.99Å; L769-Q773 HydrophobicContact CG-CG 4.22Å; L769-Q773 WeakPolarHBondContact O-CG 3.42Å; L769-Q773 PolarHBondContact O-N 3.45Å
770	P	94.5	Very high	92.5	Very high	17 Å²	17	55.4 Å²	55.4	11%	0.11	29%	0.287	C	S	.	.	H	α-helix	trans	-56.9	-40.2	177.6	-26.8	36.4	0	0	0	113.6	A767 E768 Q773 C774 W809 K812 K813	A767-P770 WeakPolarHBondContact O-CD 3.4Å; E768-P770 VanDerWaalsContact C-CD 3.43Å; P770-Q773 PolarHBondContact O-N 3.11Å; P770-C774 PolarHBondContact O-N 3.32Å; P770-C774 PolarHBondContact O-SG 2.9Å; P770-C774 VanDerWaalsContact O-SG 3.39Å; P770-W809 HydrophobicContact CB-CE3 3.84Å; P770-W809 HydrophobicContact CB-CZ3 4.31Å; P770-W809 HydrophobicContact CG-CE3 4.13Å; P770-W809 HydrophobicContact CG-CZ3 4.11Å; P770-K812 HydrophobicContact CB-CB 4.03Å; P770-K812 HydrophobicContact CG-CB 4.02Å; P770-K813 HydrophobicContact CB-CB 3.99Å
771	K	93.6	Very high	92.7	Very high	118 Å²	118	51.4 Å²	51.4	51%	0.513	27%	0.268	S	S	.	.	H	α-helix	trans	-66.2	-43.1	178.4	-177.2	-176.2	175.6	-179.9	0	111.2	E768 L769 C774 G775 K813	E768-K771 WeakPolarHBondContact O-CB 3.31Å; E768-K771 PolarHBondContact O-N 3.5Å; L769-K771 VanDerWaalsContact C-N 3.29Å; L769-K771 PolarHBondContact O-N 3.08Å; K771-C774 PolarHBondContact O-N 2.97Å; K771-G775 PolarHBondContact O-N 2.95Å; K771-G775 VanDerWaalsContact O-N 3.13Å; K771-K813 HydrophobicContact CB-CD 4.29Å; K771-K813 HydrophobicContact CB-CG 4.16Å; K771-K813 HydrophobicContact CG-CD 4.38Å
772	L	93.1	Very high	92.8	Very high	65 Å²	65	52.4 Å²	52.4	34%	0.34	27%	0.274	S	S	.	.	H	α-helix	trans	-64.4	-42.4	178	-63.8	175.5	0	0	0	111.4	M760 E768 L769 G775 F776	M760-L772 HydrophobicContact CB-CD1 4.16Å; M760-L772 HydrophobicContact CG-CD1 4.39Å; E768-L772 PolarHBondContact O-N 2.93Å; L769-L772 PolarHBondContact O-N 3.3Å; L772-G775 PolarHBondContact O-N 3.46Å; L772-F776 PolarHBondContact O-N 3.45Å
773	Q	93.9	Very high	92.9	Very high	26 Å²	26	53.5 Å²	53.5	12%	0.121	28%	0.278	C	S	.	.	H	α-helix	trans	-62.5	-44.9	176.2	-73.4	-66	-18.4	0	0	112.1	L769 P770 G775 F776 I777 W809	L769-Q773 HydrophobicContact CD1-CG 3.99Å; L769-Q773 HydrophobicContact CG-CG 4.22Å; L769-Q773 WeakPolarHBondContact O-CG 3.42Å; L769-Q773 PolarHBondContact O-N 3.45Å; P770-Q773 PolarHBondContact O-N 3.11Å; Q773-G775 VanDerWaalsContact C-N 3.3Å; Q773-G775 PolarHBondContact O-N 3.35Å; Q773-F776 PolarHBondContact O-N 3.42Å; Q773-I777 VanDerWaalsContact O-CG1 3.31Å; Q773-I777 WeakPolarHBondContact O-CG1 3.41Å; Q773-I777 PolarHBondContact O-N 3.43Å; Q773-W809 HydrophobicContact CB-CD2 3.96Å; Q773-W809 HydrophobicContact CB-CE3 4.4Å; Q773-W809 HydrophobicContact CB-CG 4.09Å; Q773-W809 HydrophobicContact CG-CD2 4.35Å; Q773-W809 HydrophobicContact CG-CZ2 4.28Å
774	C	95.4	Very high	93.1	Very high	11 Å²	11	48.3 Å²	48.3	7%	0.074	26%	0.259	C	S	.	.	H	α-helix	trans	-56.7	-44.6	173.2	-72.4	0	0	0	0	112	P770 K771 I777 D778	P770-C774 PolarHBondContact O-N 3.32Å; P770-C774 PolarHBondContact O-SG 2.9Å; P770-C774 VanDerWaalsContact O-SG 3.39Å; K771-C774 PolarHBondContact O-N 2.97Å; C774-I777 PolarHBondContact O-N 3Å; C774-D778 WeakPolarHBondContact O-CB 3.43Å; C774-D778 VanDerWaalsContact O-CG 3.28Å; C774-D778 PolarHBondContact O-N 3.48Å
775	G	94.4	Very high	93.4	Very high	40 Å²	40	42 Å²	42	41%	0.412	23%	0.225	S	C	.	.	H	α-helix	trans	-62.2	-42.2	177.4	0	0	0	0	0	113	K771 L772 Q773 D778 F779	K771-G775 PolarHBondContact O-N 2.95Å; K771-G775 VanDerWaalsContact O-N 3.13Å; L772-G775 PolarHBondContact O-N 3.46Å; Q773-G775 VanDerWaalsContact C-N 3.3Å; Q773-G775 PolarHBondContact O-N 3.35Å; G775-D778 PolarHBondContact O-N 3.32Å; G775-F779 VanDerWaalsContact O-CB 3.24Å; G775-F779 WeakPolarHBondContact O-CB 3.41Å; G775-F779 PolarHBondContact O-N 2.9Å
776	F	93.9	Very high	93.7	Very high	66 Å²	66	44 Å²	44	29%	0.289	23%	0.233	S	C	.	.	H	α-helix	trans	-64.8	-44.9	176.9	177.5	-109.3	0	0	0	112.5	L721 L772 Q773 D778 V780 C781	L721-F776 HydrophobicContact CD1-CZ 4.3Å; L721-F776 HydrophobicContact CD2-CZ 3.92Å; L772-F776 PolarHBondContact O-N 3.45Å; Q773-F776 PolarHBondContact O-N 3.42Å; F776-D778 VanDerWaalsContact C-N 3.34Å; F776-D778 PolarHBondContact O-N 3.36Å; F776-V780 HydrophobicContact CD2-CB 4Å; F776-V780 HydrophobicContact CD2-CG2 3.73Å; F776-V780 HydrophobicContact CE2-CB 3.76Å; F776-V780 HydrophobicContact CE2-CG1 3.95Å; F776-V780 HydrophobicContact CE2-CG2 3.76Å; F776-V780 HydrophobicContact CZ-CB 4.36Å; F776-V780 HydrophobicContact CZ-CG1 4.35Å; F776-V780 WeakPolarHBondContact O-CB 2.92Å; F776-V780 PolarHBondContact O-N 3.32Å; F776-C781 WeakPolarHBondContact CE1-SG 3.24Å; F776-C781 PolarHBondContact O-N 3.43Å
777	I	95.6	Very high	94.1	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.222	C	C	.	.	I	π-helix	trans	-58.7	-47.1	175.8	-69.9	166.8	0	0	0	110.5	I724 Q773 C774 C781 T782 I802 R806	I724-I777 HydrophobicContact CD1-CD1 3.96Å; I724-I777 HydrophobicContact CD1-CG1 3.88Å; I724-I777 HydrophobicContact CG1-CD1 4.25Å; I724-I777 HydrophobicContact CG1-CG1 3.77Å; Q773-I777 VanDerWaalsContact O-CG1 3.31Å; Q773-I777 WeakPolarHBondContact O-CG1 3.41Å; Q773-I777 PolarHBondContact O-N 3.43Å; C774-I777 PolarHBondContact O-N 3Å; I777-C781 PolarHBondContact O-N 2.94Å; I777-T782 WeakPolarHBondContact O-CB 3.39Å; I777-T782 PolarHBondContact O-N 2.84Å; I777-T782 PolarHBondContact O-OG1 2.75Å; I777-I802 HydrophobicContact CG2-CG2 3.48Å; I777-I802 VanDerWaalsContact CG2-CG2 3.48Å; I777-R806 HydrophobicContact CD1-CB 4.36Å; I777-R806 HydrophobicContact CG2-CB 4.07Å; I777-R806 HydrophobicContact CG2-CG 4.18Å
778	D	94.9	Very high	94.4	Very high	68 Å²	68	40.6 Å²	40.6	36%	0.364	20%	0.204	S	C	.	.	I	π-helix	trans	-69.3	-42.3	-176.3	-73.4	-10.5	0	0	0	112.3	C774 G775 F776 R806	C774-D778 WeakPolarHBondContact O-CB 3.43Å; C774-D778 VanDerWaalsContact O-CG 3.28Å; C774-D778 PolarHBondContact O-N 3.48Å; G775-D778 PolarHBondContact O-N 3.32Å; F776-D778 VanDerWaalsContact C-N 3.34Å; F776-D778 PolarHBondContact O-N 3.36Å; D778-R806 WeakPolarHBondContact OD1-CD 3.33Å; D778-R806 IonicContact OD1-CZ 3.07Å; D778-R806 IonicContact OD1-NE 3.61Å; D778-R806 PolarHBondContact OD1-NE 3Å; D778-R806 IonicContact OD1-NH2 2.72Å; D778-R806 PolarHBondContact OD1-NH2 3.07Å; D778-R806 IonicContact OD2-CZ 3.16Å; D778-R806 IonicContact OD2-NE 2.65Å; D778-R806 PolarHBondContact OD2-NE 2.98Å; D778-R806 IonicContact OD2-NH2 2.95Å; D778-R806 PolarHBondContact OD2-NH2 2.97Å
779	F	92.1	Very high	94.7	Very high	134 Å²	134	38.4 Å²	38.4	59%	0.588	20%	0.195	S	C	*	.	I	π-helix	trans	-86.2	-37.1	-171.4	-169.9	-106.1	0	0	0	114.1	F675 G775	F675-F779 HydrophobicContact CE1-CD1 4.29Å; F675-F779 AromaticContact CE1-CE1 3.73Å; F675-F779 HydrophobicContact CE1-CE1 3.73Å; F675-F779 HydrophobicContact CE1-CZ 4.34Å; F675-F779 HydrophobicContact CZ-CD1 4.15Å; F675-F779 AromaticContact CZ-CE1 3.68Å; F675-F779 HydrophobicContact CZ-CE1 3.68Å; G775-F779 VanDerWaalsContact O-CB 3.24Å; G775-F779 WeakPolarHBondContact O-CB 3.41Å; G775-F779 PolarHBondContact O-N 2.9Å
780	V	90.6	Very high	94.8	Very high	11 Å²	11	41.5 Å²	41.5	7%	0.067	21%	0.205	C	C	.	.	I	π-helix	trans	-105.4	-56.5	-172.9	-173.8	0	0	0	0	111	L671 Y674 F675 L721 F776	L671-V780 HydrophobicContact CD2-CG1 4.34Å; Y674-V780 HydrophobicContact CE1-CG1 4.21Å; Y674-V780 PolarHBondContact OH-O 2.83Å; F675-V780 HydrophobicContact CZ-CG2 4.28Å; L721-V780 HydrophobicContact CD1-CG1 3.71Å; F776-V780 HydrophobicContact CD2-CB 4Å; F776-V780 HydrophobicContact CD2-CG2 3.73Å; F776-V780 HydrophobicContact CE2-CB 3.76Å; F776-V780 HydrophobicContact CE2-CG1 3.95Å; F776-V780 HydrophobicContact CE2-CG2 3.76Å; F776-V780 HydrophobicContact CZ-CB 4.36Å; F776-V780 HydrophobicContact CZ-CG1 4.35Å; F776-V780 WeakPolarHBondContact O-CB 2.92Å; F776-V780 PolarHBondContact O-N 3.32Å
781	C	94.9	Very high	94.9	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.202	C	C	.	.	I	π-helix	trans	-76	-46.9	-167.6	-55.8	0	0	0	0	112.6	I724 F776 I777 F783 V784 Y785 I802	I724-C781 HydrophobicContact CG2-CB 4.24Å; F776-C781 WeakPolarHBondContact CE1-SG 3.24Å; F776-C781 PolarHBondContact O-N 3.43Å; I777-C781 PolarHBondContact O-N 2.94Å; C781-F783 VanDerWaalsContact C-N 3.25Å; C781-F783 PolarHBondContact O-N 3.38Å; C781-F783 VanDerWaalsContact O-N 3.15Å; C781-V784 VanDerWaalsContact O-CG1 3.22Å; C781-V784 WeakPolarHBondContact O-CG1 3.46Å; C781-V784 PolarHBondContact O-N 2.65Å; C781-Y785 HydrophobicContact CB-CD2 4.35Å; C781-Y785 HydrophobicContact CB-CE2 4.32Å; C781-Y785 WeakPolarHBondContact O-CD2 3.07Å; C781-Y785 PolarHBondContact O-N 2.98Å; C781-I802 HydrophobicContact CB-CD1 4.33Å
782	T	94.3	Very high	94.9	Very high	33 Å²	33	35.5 Å²	35.5	20%	0.202	18%	0.177	C	C	.	.	H	α-helix	trans	-57.2	-38.8	-171.5	-62.8	0	0	0	0	112.4	I777 K786	I777-T782 WeakPolarHBondContact O-CB 3.39Å; I777-T782 PolarHBondContact O-N 2.84Å; I777-T782 PolarHBondContact O-OG1 2.75Å; T782-K786 WeakPolarHBondContact O-CB 3.24Å; T782-K786 PolarHBondContact O-N 3.09Å
783	F	95.4	Very high	95	Very high	44 Å²	44	36.9 Å²	36.9	19%	0.193	19%	0.19	C	C	.	.	H	α-helix	trans	-59.8	-54.9	178.7	179.2	-85.6	0	0	0	111.7	R678 Q682 C781 Y785 K786 E787	R678-F783 HydrophobicContact CB-CD1 4.09Å; R678-F783 HydrophobicContact CB-CE1 3.52Å; R678-F783 HydrophobicContact CB-CZ 4.1Å; R678-F783 HydrophobicContact CG-CE1 4.03Å; R678-F783 HydrophobicContact CG-CZ 4.2Å; Q682-F783 HydrophobicContact CB-CZ 4.23Å; C781-F783 VanDerWaalsContact C-N 3.25Å; C781-F783 PolarHBondContact O-N 3.38Å; C781-F783 VanDerWaalsContact O-N 3.15Å; F783-Y785 PolarHBondContact O-N 3.34Å; F783-K786 PolarHBondContact O-N 3Å; F783-E787 HydrophobicContact CD1-CG 4.35Å; F783-E787 HydrophobicContact CE1-CG 3.92Å; F783-E787 HydrophobicContact CE2-CG 4.18Å; F783-E787 HydrophobicContact CZ-CG 3.86Å; F783-E787 WeakPolarHBondContact O-CG 3.08Å; F783-E787 PolarHBondContact O-N 2.75Å
784	V	95.4	Very high	95.1	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-64.8	-45.2	-171.5	61	0	0	0	0	111.3	Y674 M714 A718 C781 E787 F788	Y674-V784 HydrophobicContact CE2-CB 4.17Å; Y674-V784 HydrophobicContact CE2-CG2 4.47Å; M714-V784 HydrophobicContact CE-CB 4.48Å; M714-V784 HydrophobicContact CE-CG2 3.97Å; A718-V784 HydrophobicContact CB-CG2 3.95Å; C781-V784 VanDerWaalsContact O-CG1 3.22Å; C781-V784 WeakPolarHBondContact O-CG1 3.46Å; C781-V784 PolarHBondContact O-N 2.65Å; V784-E787 PolarHBondContact O-N 2.8Å; V784-F788 HydrophobicContact CG2-CD2 3.6Å; V784-F788 HydrophobicContact CG2-CE2 3.53Å; V784-F788 WeakPolarHBondContact O-CB 3.37Å; V784-F788 VanDerWaalsContact O-CD2 3.22Å; V784-F788 WeakPolarHBondContact O-CD2 3.2Å; V784-F788 PolarHBondContact O-N 2.91Å
785	Y	97.1	Very high	95.2	Very high	1 Å²	1	38.6 Å²	38.6	0%	0.004	20%	0.197	C	C	.	.	H	α-helix	trans	-74.9	-29.4	-179.1	-63.6	-74.3	0	0	0	113.6	A718 L721 S722 I724 T725 C781 F783 S789 M798 I802	A718-Y785 HydrophobicContact CB-CE1 4.05Å; A718-Y785 PolarHBondContact O-OH 2.93Å; L721-Y785 PolarHBondContact O-OH 3.18Å; S722-Y785 WeakPolarHBondContact CA-OH 3.45Å; S722-Y785 PolarHBondContact N-OH 3.46Å; I724-Y785 HydrophobicContact CG2-CE2 4.29Å; T725-Y785 HydrophobicContact CG2-CD1 4.34Å; T725-Y785 HydrophobicContact CG2-CD2 4.44Å; T725-Y785 HydrophobicContact CG2-CE1 3.83Å; T725-Y785 HydrophobicContact CG2-CE2 3.88Å; C781-Y785 HydrophobicContact CB-CD2 4.35Å; C781-Y785 HydrophobicContact CB-CE2 4.32Å; C781-Y785 WeakPolarHBondContact O-CD2 3.07Å; C781-Y785 PolarHBondContact O-N 2.98Å; F783-Y785 PolarHBondContact O-N 3.34Å; Y785-S789 WeakPolarHBondContact O-CB 3.5Å; Y785-S789 PolarHBondContact O-N 3.39Å; Y785-S789 PolarHBondContact O-OG 3.4Å; Y785-M798 HydrophobicContact CD1-CB 4.2Å; Y785-M798 HydrophobicContact CD1-CE 4.28Å; Y785-M798 HydrophobicContact CD1-SD 4.5Å; Y785-M798 HydrophobicContact CE1-CE 3.54Å; Y785-M798 HydrophobicContact CE1-SD 4.25Å; Y785-I802 HydrophobicContact CD1-CD1 4.38Å; Y785-I802 HydrophobicContact CD2-CD1 2.96Å; Y785-I802 HydrophobicContact CD2-CG1 4.42Å; Y785-I802 HydrophobicContact CE2-CD1 3.45Å; Y785-I802 VanDerWaalsContact CE2-CD1 3.45Å; Y785-I802 HydrophobicContact CG-CD1 3.47Å; Y785-I802 VanDerWaalsContact CG-CD1 3.47Å
786	K	96.7	Very high	95.3	Very high	123 Å²	123	39.9 Å²	39.9	54%	0.535	19%	0.192	S	C	.	.	H	α-helix	trans	-66	-42.7	171.2	-177	-179.2	-179.9	-178.4	0	111.6	T782 F783 S789 R790 L799	T782-K786 WeakPolarHBondContact O-CB 3.24Å; T782-K786 PolarHBondContact O-N 3.09Å; F783-K786 PolarHBondContact O-N 3Å; K786-S789 PolarHBondContact O-OG 2.79Å; K786-R790 VanDerWaalsContact O-CB 3.29Å; K786-R790 WeakPolarHBondContact O-CB 3.35Å; K786-R790 PolarHBondContact O-N 3.42Å; K786-L799 HydrophobicContact CB-CD1 4.45Å
787	E	96.6	Very high	95.4	Very high	11 Å²	11	40.3 Å²	40.3	5%	0.051	20%	0.201	C	C	.	.	H	α-helix	trans	-69.8	-37.9	176.8	-67.7	-59.3	158.3	0	0	111.6	F681 Q682 F783 V784 R790 F791	F681-E787 HydrophobicContact CD1-CB 4.11Å; F681-E787 HydrophobicContact CE1-CB 3.66Å; Q682-E787 PolarHBondContact NE2-OE1 3.49Å; F783-E787 HydrophobicContact CD1-CG 4.35Å; F783-E787 HydrophobicContact CE1-CG 3.92Å; F783-E787 HydrophobicContact CE2-CG 4.18Å; F783-E787 HydrophobicContact CZ-CG 3.86Å; F783-E787 WeakPolarHBondContact O-CG 3.08Å; F783-E787 PolarHBondContact O-N 2.75Å; V784-E787 PolarHBondContact O-N 2.8Å; E787-R790 PolarHBondContact O-N 2.89Å; E787-R790 IonicContact OE1-CZ 2.62Å; E787-R790 IonicContact OE1-NE 3.17Å; E787-R790 IonicContact OE1-NH2 2.87Å; E787-R790 IonicContact OE2-CZ 3.55Å; E787-R790 IonicContact OE2-NE 2.74Å; E787-R790 PolarHBondContact OE2-NE 3.06Å; E787-R790 IonicContact OE2-NH2 3.91Å; E787-R790 PolarHBondContact OE2-NH2 3.26Å; E787-F791 VanDerWaalsContact O-CB 3.29Å; E787-F791 WeakPolarHBondContact O-CB 3.15Å; E787-F791 PolarHBondContact O-N 3.34Å
788	F	96.9	Very high	95.4	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.009	20%	0.202	C	C	.	.	H	α-helix	trans	-65.9	-41.1	173	-88.1	-65.8	0	0	0	113.4	L580 F681 M714 M715 A718 V784 R790 F791 H792 I795	L580-F788 HydrophobicContact CD1-CE1 4.38Å; F681-F788 HydrophobicContact CE1-CD2 4.34Å; F681-F788 HydrophobicContact CE1-CE2 4.26Å; F681-F788 HydrophobicContact CE1-CG 4.5Å; F681-F788 HydrophobicContact CE1-CZ 4.37Å; F681-F788 HydrophobicContact CE2-CE1 4.2Å; F681-F788 HydrophobicContact CE2-CZ 4.28Å; F681-F788 AromaticContact CZ-CD1 3.89Å; F681-F788 HydrophobicContact CZ-CD1 3.89Å; F681-F788 HydrophobicContact CZ-CD2 4.32Å; F681-F788 AromaticContact CZ-CE1 3.68Å; F681-F788 HydrophobicContact CZ-CE1 3.68Å; F681-F788 HydrophobicContact CZ-CE2 4.12Å; F681-F788 HydrophobicContact CZ-CG 4.19Å; F681-F788 AromaticContact CZ-CZ 3.79Å; F681-F788 HydrophobicContact CZ-CZ 3.79Å; M714-F788 HydrophobicContact CB-CE2 4.12Å; M714-F788 HydrophobicContact CB-CZ 3.98Å; M715-F788 HydrophobicContact CB-CZ 4.06Å; A718-F788 HydrophobicContact CB-CD2 4.12Å; A718-F788 HydrophobicContact CB-CE2 3.78Å; V784-F788 HydrophobicContact CG2-CD2 3.6Å; V784-F788 HydrophobicContact CG2-CE2 3.53Å; V784-F788 WeakPolarHBondContact O-CB 3.37Å; V784-F788 VanDerWaalsContact O-CD2 3.22Å; V784-F788 WeakPolarHBondContact O-CD2 3.2Å; V784-F788 PolarHBondContact O-N 2.91Å; F788-R790 VanDerWaalsContact C-N 3.33Å; F788-F791 PolarHBondContact O-N 3.41Å; F788-H792 PolarHBondContact O-N 3.48Å; F788-I795 HydrophobicContact CB-CD1 4.05Å; F788-I795 HydrophobicContact CB-CG2 4.09Å; F788-I795 HydrophobicContact CD1-CD1 3.98Å; F788-I795 HydrophobicContact CG-CD1 4.36Å
789	S	95.9	Very high	95.6	Very high	14 Å²	14	37.9 Å²	37.9	10%	0.098	19%	0.188	C	C	.	.	H	α-helix	trans	-68.7	-34.6	176.5	78.9	0	0	0	0	112	Y785 K786 F791 H792 Q796 L799	Y785-S789 WeakPolarHBondContact O-CB 3.5Å; Y785-S789 PolarHBondContact O-N 3.39Å; Y785-S789 PolarHBondContact O-OG 3.4Å; K786-S789 PolarHBondContact O-OG 2.79Å; S789-F791 VanDerWaalsContact C-N 3.32Å; S789-H792 CarbonylContact O-C 3.34Å; S789-Q796 PolarHBondContact OG-OE1 3.14Å; S789-L799 VanDerWaalsContact OG-CD2 3.31Å; S789-L799 WeakPolarHBondContact OG-CD2 3.2Å
790	R	95.9	Very high	95.8	Very high	87 Å²	87	34.8 Å²	34.8	33%	0.328	18%	0.178	S	C	.	.	H	α-helix	trans	-64.3	-39.4	170.6	-171.9	167.6	72.8	130.3	6	111.1	V685 D686 K689 K786 E787 F788	V685-R790 HydrophobicContact CG1-CB 4.37Å; V685-R790 HydrophobicContact CG1-CG 4.16Å; D686-R790 IonicContact OD1-CZ 3.44Å; D686-R790 IonicContact OD1-NH1 2.67Å; D686-R790 PolarHBondContact OD1-NH1 3.46Å; D686-R790 IonicContact OD1-NH2 3.55Å; D686-R790 PolarHBondContact OD1-NH2 3.31Å; K689-R790 WeakPolarHBondContact CE-O 3.47Å; K689-R790 PolarHBondContact NZ-O 3.07Å; K786-R790 VanDerWaalsContact O-CB 3.29Å; K786-R790 WeakPolarHBondContact O-CB 3.35Å; K786-R790 PolarHBondContact O-N 3.42Å; E787-R790 PolarHBondContact O-N 2.89Å; E787-R790 IonicContact OE1-CZ 2.62Å; E787-R790 IonicContact OE1-NE 3.17Å; E787-R790 IonicContact OE1-NH2 2.87Å; E787-R790 IonicContact OE2-CZ 3.55Å; E787-R790 IonicContact OE2-NE 2.74Å; E787-R790 PolarHBondContact OE2-NE 3.06Å; E787-R790 IonicContact OE2-NH2 3.91Å; E787-R790 PolarHBondContact OE2-NH2 3.26Å; F788-R790 VanDerWaalsContact C-N 3.33Å
791	F	95.3	Very high	96	Very high	10 Å²	10	35 Å²	35	4%	0.044	18%	0.182	C	C	.	.	H	α-helix	trans	-69.8	-49.1	178	-171.3	-138.3	0	0	0	111.9	L580 Y583 V685 S688 W697 V711 E787 F788 S789	L580-F791 HydrophobicContact CD2-CD1 4.31Å; L580-F791 HydrophobicContact CD2-CE1 3.99Å; Y583-F791 HydrophobicContact CE2-CE1 4.09Å; Y583-F791 AromaticContact CE2-CZ 3.92Å; Y583-F791 HydrophobicContact CE2-CZ 3.92Å; V685-F791 HydrophobicContact CG1-CB 4.08Å; V685-F791 HydrophobicContact CG2-CB 3.94Å; V685-F791 HydrophobicContact CG2-CD2 4.28Å; V685-F791 HydrophobicContact CG2-CG 4.13Å; S688-F791 WeakPolarHBondContact OG-CD2 3.43Å; W697-F791 AromaticContact CZ2-CE2 3.82Å; W697-F791 HydrophobicContact CZ2-CE2 3.82Å; W697-F791 HydrophobicContact CZ2-CZ 4.17Å; W697-F791 AromaticContact NE1-CE2 3.77Å; V711-F791 HydrophobicContact CG1-CE1 4.46Å; E787-F791 VanDerWaalsContact O-CB 3.29Å; E787-F791 WeakPolarHBondContact O-CB 3.15Å; E787-F791 PolarHBondContact O-N 3.34Å; F788-F791 PolarHBondContact O-N 3.41Å; S789-F791 VanDerWaalsContact C-N 3.32Å
792	H	95.1	Very high	96.1	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.182	C	C	.	.			trans	-132.3	115.5	-179.1	-74.9	64	0	0	0	111.2	G578 L580 R582 Y583 F788 S789 Q794 I795	G578-H792 PolarHBondContact O-CD2 2.83Å; L580-H792 VanDerWaalsContact CD2-CE1 3.46Å; L580-H792 WeakPolarHBondContact CD2-CE1 3.19Å; R582-H792 PolarHBondContact NE-NE2 3.3Å; R582-H792 PolarHBondContact NH2-CD2 3.2Å; R582-H792 PolarHBondContact NH2-NE2 3.38Å; Y583-H792 AromaticContact CE2-CE1 3.45Å; Y583-H792 VanDerWaalsContact CE2-CE1 3.45Å; Y583-H792 WeakPolarHBondContact CE2-CE1 3.46Å; Y583-H792 AromaticContact CE2-NE2 3.52Å; Y583-H792 AromaticContact CZ-CE1 3.71Å; Y583-H792 AromaticContact CZ-NE2 3.71Å; Y583-H792 PolarHBondContact OH-CE1 3.23Å; Y583-H792 PolarHBondContact OH-NE2 3.46Å; Y583-H792 VanDerWaalsContact OH-NE2 3.12Å; F788-H792 PolarHBondContact O-N 3.48Å; S789-H792 CarbonylContact O-C 3.34Å; H792-Q794 PolarHBondContact O-N 2.98Å; H792-Q794 VanDerWaalsContact O-N 3.12Å; H792-I795 HydrophobicContact CB-CD1 3.9Å; H792-I795 HydrophobicContact CB-CG1 4.18Å; H792-I795 PolarHBondContact O-N 2.99Å; H792-I795 VanDerWaalsContact O-N 3.14Å
793	P	94.6	Very high	96.2	Very high	93 Å²	93	37.3 Å²	37.3	60%	0.604	19%	0.192	S	C	*	.	G	3₁₀ helix	trans	-59	-26.4	-179.3	-25.7	34.6	0	0	0	114.5	I795 Q796	P793-I795 PolarHBondContact O-N 3.43Å; P793-Q796 WeakPolarHBondContact O-CB 3.39Å; P793-Q796 PolarHBondContact O-N 3.04Å
794	Q	96.3	Very high	96.3	Very high	72 Å²	72	40 Å²	40	34%	0.336	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-66.4	-16.3	-179.3	-60.8	88	-13.4	0	0	113.2	H792 P797	H792-Q794 PolarHBondContact O-N 2.98Å; H792-Q794 VanDerWaalsContact O-N 3.12Å; Q794-P797 VanDerWaalsContact O-CD 3.3Å; Q794-P797 WeakPolarHBondContact O-CD 3.39Å
795	I	96.5	Very high	96.4	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-90.1	-6.1	177.8	-53.7	172.5	0	0	0	111.3	L574 L580 F788 H792 P793 P797 M798	L574-I795 HydrophobicContact CD2-CD1 3.77Å; L574-I795 HydrophobicContact CD2-CG1 3.93Å; L574-I795 HydrophobicContact CD2-CG2 4.29Å; L580-I795 HydrophobicContact CD1-CD1 4.08Å; F788-I795 HydrophobicContact CB-CD1 4.05Å; F788-I795 HydrophobicContact CB-CG2 4.09Å; F788-I795 HydrophobicContact CD1-CD1 3.98Å; F788-I795 HydrophobicContact CG-CD1 4.36Å; H792-I795 HydrophobicContact CB-CD1 3.9Å; H792-I795 HydrophobicContact CB-CG1 4.18Å; H792-I795 PolarHBondContact O-N 2.99Å; H792-I795 VanDerWaalsContact O-N 3.14Å; P793-I795 PolarHBondContact O-N 3.43Å; I795-P797 VanDerWaalsContact C-N 3.28Å; I795-P797 VanDerWaalsContact O-N 3.16Å; I795-M798 HydrophobicContact CG2-CB 4.21Å; I795-M798 HydrophobicContact CG2-CG 4.29Å; I795-M798 HydrophobicContact CG2-SD 3.92Å; I795-M798 WeakPolarHBondContact O-CB 3.47Å; I795-M798 PolarHBondContact O-N 3.41Å
796	Q	96.8	Very high	96.4	Very high	68 Å²	68	44.9 Å²	44.9	32%	0.318	23%	0.228	S	C	.	.	H	α-helix	trans	-49.6	-39.2	177	-173.8	62	38.9	0	0	114.2	S789 P793 M798 L799 D800	S789-Q796 PolarHBondContact OG-OE1 3.14Å; P793-Q796 WeakPolarHBondContact O-CB 3.39Å; P793-Q796 PolarHBondContact O-N 3.04Å; Q796-M798 PolarHBondContact O-N 3.19Å; Q796-L799 WeakPolarHBondContact O-CB 3.33Å; Q796-L799 PolarHBondContact O-N 2.87Å; Q796-D800 PolarHBondContact NE2-OD1 3.47Å; Q796-D800 PolarHBondContact O-N 3.3Å
797	P	96.5	Very high	96.4	Very high	74 Å²	74	46 Å²	46	48%	0.481	23%	0.233	S	C	.	.	H	α-helix	trans	-57.5	-32.6	176.9	-26.7	36.7	0	0	0	114.4	Q794 I795 G801	Q794-P797 VanDerWaalsContact O-CD 3.3Å; Q794-P797 WeakPolarHBondContact O-CD 3.39Å; I795-P797 VanDerWaalsContact C-N 3.28Å; I795-P797 VanDerWaalsContact O-N 3.16Å; P797-G801 PolarHBondContact O-N 2.9Å
798	M	96.8	Very high	96.4	Very high	2 Å²	2	49.7 Å²	49.7	1%	0.01	25%	0.25	C	S	.	.	H	α-helix	trans	-69.1	-39.8	176.2	-65.2	-174.5	80.7	0	0	111.5	F506 T570 L574 T725 Y785 I795 Q796 G801 I802	F506-M798 HydrophobicContact CB-CG 4.16Å; F506-M798 HydrophobicContact CD1-CE 4.32Å; F506-M798 HydrophobicContact CD1-CG 3.64Å; F506-M798 HydrophobicContact CD1-SD 3.44Å; F506-M798 WeakPolarHBondContact CD1-SD 3.46Å; F506-M798 HydrophobicContact CD2-CG 4.39Å; F506-M798 HydrophobicContact CE1-CG 4.08Å; F506-M798 HydrophobicContact CE1-SD 3.46Å; F506-M798 WeakPolarHBondContact CE1-SD 3.44Å; F506-M798 HydrophobicContact CG-CG 3.82Å; F506-M798 HydrophobicContact CG-SD 4.24Å; F506-M798 HydrophobicContact CZ-SD 4.27Å; T570-M798 HydrophobicContact CG2-CE 4.03Å; L574-M798 HydrophobicContact CD2-SD 4.07Å; T725-M798 HydrophobicContact CG2-CB 4.25Å; T725-M798 HydrophobicContact CG2-CE 3.85Å; Y785-M798 HydrophobicContact CD1-CB 4.2Å; Y785-M798 HydrophobicContact CD1-CE 4.28Å; Y785-M798 HydrophobicContact CD1-SD 4.5Å; Y785-M798 HydrophobicContact CE1-CE 3.54Å; Y785-M798 HydrophobicContact CE1-SD 4.25Å; I795-M798 HydrophobicContact CG2-CB 4.21Å; I795-M798 HydrophobicContact CG2-CG 4.29Å; I795-M798 HydrophobicContact CG2-SD 3.92Å; I795-M798 WeakPolarHBondContact O-CB 3.47Å; I795-M798 PolarHBondContact O-N 3.41Å; Q796-M798 PolarHBondContact O-N 3.19Å; M798-G801 PolarHBondContact O-N 3.38Å; M798-I802 WeakPolarHBondContact O-CG1 3.45Å; M798-I802 PolarHBondContact O-N 3.48Å; M798-I802 VanDerWaalsContact O-N 3.14Å
799	L	97.1	Very high	96.4	Very high	15 Å²	15	50.2 Å²	50.2	8%	0.079	25%	0.252	C	S	.	.	H	α-helix	trans	-65.5	-43.4	175.5	178.8	62.1	0	0	0	111.1	K786 S789 Q796 G801 I802 L803	K786-L799 HydrophobicContact CB-CD1 4.45Å; S789-L799 VanDerWaalsContact OG-CD2 3.31Å; S789-L799 WeakPolarHBondContact OG-CD2 3.2Å; Q796-L799 WeakPolarHBondContact O-CB 3.33Å; Q796-L799 PolarHBondContact O-N 2.87Å; L799-G801 VanDerWaalsContact C-N 3.3Å; L799-G801 PolarHBondContact O-N 3.02Å; L799-I802 WeakPolarHBondContact O-CB 3.49Å; L799-I802 PolarHBondContact O-N 3.07Å; L799-L803 HydrophobicContact CD1-CG 4.42Å; L799-L803 HydrophobicContact CG-CD1 4.26Å; L799-L803 WeakPolarHBondContact O-CG 3.41Å; L799-L803 PolarHBondContact O-N 3.29Å
800	D	97.1	Very high	96.4	Very high	70 Å²	70	51.7 Å²	51.7	37%	0.374	26%	0.259	S	S	.	.	H	α-helix	trans	-61.7	-40.2	177.1	-64.4	-20.6	0	0	0	111.2	Q796 I802 L803 N804	Q796-D800 PolarHBondContact NE2-OD1 3.47Å; Q796-D800 PolarHBondContact O-N 3.3Å; D800-I802 VanDerWaalsContact C-N 3.35Å; D800-I802 PolarHBondContact O-N 3.43Å; D800-L803 PolarHBondContact O-N 3.02Å; D800-N804 WeakPolarHBondContact O-CB 3.22Å; D800-N804 VanDerWaalsContact O-CG 3.27Å; D800-N804 PolarHBondContact O-N 3.18Å; D800-N804 PolarHBondContact O-ND2 2.96Å
801	G	96	Very high	96.4	Very high	14 Å²	14	49.9 Å²	49.9	14%	0.144	26%	0.262	C	S	.	.	H	α-helix	trans	-56.8	-45.4	173.1	0	0	0	0	0	112.7	P797 M798 L799 N804 N805	P797-G801 PolarHBondContact O-N 2.9Å; M798-G801 PolarHBondContact O-N 3.38Å; L799-G801 VanDerWaalsContact C-N 3.3Å; L799-G801 PolarHBondContact O-N 3.02Å; G801-N804 PolarHBondContact O-N 3.27Å; G801-N805 WeakPolarHBondContact O-CB 3.46Å; G801-N805 VanDerWaalsContact O-CG 3.31Å; G801-N805 PolarHBondContact O-N 3.3Å; G801-N805 PolarHBondContact O-ND2 3.19Å
802	I	96.1	Very high	96.3	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-63.5	-46	176.5	-68.1	174.8	0	0	0	111.9	I724 T725 I777 C781 Y785 M798 L799 D800 N804 N805 R806	I724-I802 HydrophobicContact CG2-CD1 4.18Å; I724-I802 HydrophobicContact CG2-CG1 4.13Å; T725-I802 HydrophobicContact CG2-CD1 3.7Å; T725-I802 HydrophobicContact CG2-CG1 3.69Å; I777-I802 HydrophobicContact CG2-CG2 3.48Å; I777-I802 VanDerWaalsContact CG2-CG2 3.48Å; C781-I802 HydrophobicContact CB-CD1 4.33Å; Y785-I802 HydrophobicContact CD1-CD1 4.38Å; Y785-I802 HydrophobicContact CD2-CD1 2.96Å; Y785-I802 HydrophobicContact CD2-CG1 4.42Å; Y785-I802 HydrophobicContact CE2-CD1 3.45Å; Y785-I802 VanDerWaalsContact CE2-CD1 3.45Å; Y785-I802 HydrophobicContact CG-CD1 3.47Å; Y785-I802 VanDerWaalsContact CG-CD1 3.47Å; M798-I802 WeakPolarHBondContact O-CG1 3.45Å; M798-I802 PolarHBondContact O-N 3.48Å; M798-I802 VanDerWaalsContact O-N 3.14Å; L799-I802 WeakPolarHBondContact O-CB 3.49Å; L799-I802 PolarHBondContact O-N 3.07Å; D800-I802 VanDerWaalsContact C-N 3.35Å; D800-I802 PolarHBondContact O-N 3.43Å; I802-N804 VanDerWaalsContact C-N 3.28Å; I802-N804 PolarHBondContact O-N 3.41Å; I802-N805 PolarHBondContact O-N 3Å; I802-R806 WeakPolarHBondContact O-CB 3.41Å; I802-R806 PolarHBondContact O-N 3.1Å
803	L	96.6	Very high	96.3	Very high	82 Å²	82	56.1 Å²	56.1	43%	0.429	29%	0.289	S	S	.	.	H	α-helix	trans	-63.2	-37.9	-179.1	-67.6	175.5	0	0	0	111.3	L799 D800 K807	L799-L803 HydrophobicContact CD1-CG 4.42Å; L799-L803 HydrophobicContact CG-CD1 4.26Å; L799-L803 WeakPolarHBondContact O-CG 3.41Å; L799-L803 PolarHBondContact O-N 3.29Å; D800-L803 PolarHBondContact O-N 3.02Å; L803-K807 PolarHBondContact O-N 3.16Å; L803-K807 VanDerWaalsContact O-N 3.16Å
804	N	97.1	Very high	96.3	Very high	102 Å²	102	56.9 Å²	56.9	55%	0.545	29%	0.285	S	S	.	.	H	α-helix	trans	-65.3	-49.2	173.3	-71.4	-25.5	0	0	0	111.5	D800 G801 I802 R806 K807 E808	D800-N804 WeakPolarHBondContact O-CB 3.22Å; D800-N804 VanDerWaalsContact O-CG 3.27Å; D800-N804 PolarHBondContact O-N 3.18Å; D800-N804 PolarHBondContact O-ND2 2.96Å; G801-N804 PolarHBondContact O-N 3.27Å; I802-N804 VanDerWaalsContact C-N 3.28Å; I802-N804 PolarHBondContact O-N 3.41Å; N804-R806 VanDerWaalsContact C-N 3.3Å; N804-R806 PolarHBondContact O-N 3.04Å; N804-K807 WeakPolarHBondContact O-CB 3.5Å; N804-K807 PolarHBondContact O-N 3.42Å; N804-E808 PolarHBondContact O-N 3.48Å; N804-E808 VanDerWaalsContact O-N 3.11Å
805	N	97.3	Very high	96.1	Very high	4 Å²	4	58.2 Å²	58.2	2%	0.021	29%	0.291	C	S	.	.	H	α-helix	trans	-62.3	-37.5	178.5	-72.2	-23.9	0	0	0	112.3	I724 K726 G801 I802 K807 E808 W809	I724-N805 PolarHBondContact O-ND2 3.45Å; K726-N805 PolarHBondContact O-ND2 3.43Å; G801-N805 WeakPolarHBondContact O-CB 3.46Å; G801-N805 VanDerWaalsContact O-CG 3.31Å; G801-N805 PolarHBondContact O-N 3.3Å; G801-N805 PolarHBondContact O-ND2 3.19Å; I802-N805 PolarHBondContact O-N 3Å; N805-K807 VanDerWaalsContact C-N 3.3Å; N805-K807 PolarHBondContact O-N 2.81Å; N805-E808 PolarHBondContact O-N 2.66Å; N805-W809 PolarHBondContact O-N 3.27Å
806	R	97.3	Very high	95.8	Very high	98 Å²	98	61.3 Å²	61.3	37%	0.37	30%	0.303	S	S	.	.	H	α-helix	trans	-58.7	-42.4	173.2	-172.5	-164.7	-177.4	-106.4	-2.5	111.5	I777 D778 I802 N804 W809 N810	I777-R806 HydrophobicContact CD1-CB 4.36Å; I777-R806 HydrophobicContact CG2-CB 4.07Å; I777-R806 HydrophobicContact CG2-CG 4.18Å; D778-R806 WeakPolarHBondContact OD1-CD 3.33Å; D778-R806 IonicContact OD1-CZ 3.07Å; D778-R806 IonicContact OD1-NE 3.61Å; D778-R806 PolarHBondContact OD1-NE 3Å; D778-R806 IonicContact OD1-NH2 2.72Å; D778-R806 PolarHBondContact OD1-NH2 3.07Å; D778-R806 IonicContact OD2-CZ 3.16Å; D778-R806 IonicContact OD2-NE 2.65Å; D778-R806 PolarHBondContact OD2-NE 2.98Å; D778-R806 IonicContact OD2-NH2 2.95Å; D778-R806 PolarHBondContact OD2-NH2 2.97Å; I802-R806 WeakPolarHBondContact O-CB 3.41Å; I802-R806 PolarHBondContact O-N 3.1Å; N804-R806 VanDerWaalsContact C-N 3.3Å; N804-R806 PolarHBondContact O-N 3.04Å; R806-W809 PolarHBondContact O-N 2.87Å; R806-N810 VanDerWaalsContact O-CB 3.31Å; R806-N810 WeakPolarHBondContact O-CB 3.44Å; R806-N810 PolarHBondContact O-N 3.4Å
807	K	97.1	Very high	95.5	Very high	148 Å²	148	62 Å²	62	64%	0.643	31%	0.307	S	S	*	.	H	α-helix	trans	-62.9	-45.7	178.2	-175.9	-174	173.9	-170.5	0	111.1	L803 N804 N805 N810 A811	L803-K807 PolarHBondContact O-N 3.16Å; L803-K807 VanDerWaalsContact O-N 3.16Å; N804-K807 WeakPolarHBondContact O-CB 3.5Å; N804-K807 PolarHBondContact O-N 3.42Å; N805-K807 VanDerWaalsContact C-N 3.3Å; N805-K807 PolarHBondContact O-N 2.81Å; K807-N810 PolarHBondContact O-N 2.78Å; K807-A811 PolarHBondContact O-N 3.26Å
808	E	96.6	Very high	95.2	Very high	88 Å²	88	61.6 Å²	61.6	41%	0.411	31%	0.309	S	S	.	.	H	α-helix	trans	-63.5	-44.5	177.3	-66	-60.8	154.4	0	0	112.2	W728 N804 N805 N810 A811 K812	W728-E808 HydrophobicContact CD2-CB 3.77Å; W728-E808 HydrophobicContact CD2-CG 3.92Å; W728-E808 HydrophobicContact CE3-CB 3.41Å; W728-E808 VanDerWaalsContact CE3-CB 3.41Å; W728-E808 HydrophobicContact CE3-CG 3.88Å; W728-E808 HydrophobicContact CG-CG 4.3Å; W728-E808 HydrophobicContact CH2-CB 3.71Å; W728-E808 HydrophobicContact CZ2-CB 4.05Å; W728-E808 HydrophobicContact CZ3-CB 3.36Å; W728-E808 HydrophobicContact CZ3-CG 4.34Å; N804-E808 PolarHBondContact O-N 3.48Å; N804-E808 VanDerWaalsContact O-N 3.11Å; N805-E808 PolarHBondContact O-N 2.66Å; E808-N810 VanDerWaalsContact C-N 3.34Å; E808-N810 PolarHBondContact O-N 3.16Å; E808-A811 PolarHBondContact O-N 3.28Å; E808-K812 PolarHBondContact O-N 3.34Å; E808-K812 VanDerWaalsContact O-N 3.08Å
809	W	96.9	Very high	94.9	Very high	12 Å²	12	66.9 Å²	66.9	5%	0.045	33%	0.332	C	S	.	.	H	α-helix	trans	-63.2	-38.8	174.3	-78.4	117.7	0	0	0	112.8	W728 A735 P770 Q773 N805 R806 K812 K813	W728-W809 AromaticContact CH2-CD2 3.74Å; W728-W809 HydrophobicContact CH2-CD2 3.74Å; W728-W809 AromaticContact CH2-CE2 3.67Å; W728-W809 HydrophobicContact CH2-CE3 4.09Å; W728-W809 HydrophobicContact CH2-CG 4.13Å; W728-W809 HydrophobicContact CH2-CH2 4.35Å; W728-W809 AromaticContact CH2-CZ2 3.98Å; W728-W809 HydrophobicContact CH2-CZ2 3.98Å; W728-W809 HydrophobicContact CH2-CZ3 4.4Å; W728-W809 AromaticContact CH2-NE1 3.97Å; W728-W809 AromaticContact CZ3-CD1 3.7Å; W728-W809 AromaticContact CZ3-CD2 3.95Å; W728-W809 HydrophobicContact CZ3-CD2 3.95Å; W728-W809 AromaticContact CZ3-CE2 3.65Å; W728-W809 AromaticContact CZ3-CG 3.97Å; W728-W809 HydrophobicContact CZ3-CG 3.97Å; W728-W809 HydrophobicContact CZ3-CZ2 4.21Å; W728-W809 AromaticContact CZ3-NE1 3.45Å; A735-W809 HydrophobicContact CB-CH2 4.14Å; A735-W809 HydrophobicContact CB-CZ2 3.65Å; P770-W809 HydrophobicContact CB-CE3 3.84Å; P770-W809 HydrophobicContact CB-CZ3 4.31Å; P770-W809 HydrophobicContact CG-CE3 4.13Å; P770-W809 HydrophobicContact CG-CZ3 4.11Å; Q773-W809 HydrophobicContact CB-CD2 3.96Å; Q773-W809 HydrophobicContact CB-CE3 4.4Å; Q773-W809 HydrophobicContact CB-CG 4.09Å; Q773-W809 HydrophobicContact CG-CD2 4.35Å; Q773-W809 HydrophobicContact CG-CZ2 4.28Å; N805-W809 PolarHBondContact O-N 3.27Å; R806-W809 PolarHBondContact O-N 2.87Å; W809-K812 HydrophobicContact CE3-CD 4.13Å; W809-K812 HydrophobicContact CZ3-CD 4.08Å; W809-K812 PolarHBondContact O-N 3.49Å; W809-K813 WeakPolarHBondContact O-CB 3.38Å; W809-K813 PolarHBondContact O-N 3.12Å
810	N	95.9	Very high	94.5	Very high	45 Å²	45	69.2 Å²	69.2	24%	0.241	34%	0.344	C	S	.	.	H	α-helix	trans	-66.3	-38.9	176.9	-170.6	70.4	0	0	0	111.7	R806 K807 E808 K812 K813 E814	R806-N810 VanDerWaalsContact O-CB 3.31Å; R806-N810 WeakPolarHBondContact O-CB 3.44Å; R806-N810 PolarHBondContact O-N 3.4Å; K807-N810 PolarHBondContact O-N 2.78Å; E808-N810 VanDerWaalsContact C-N 3.34Å; E808-N810 PolarHBondContact O-N 3.16Å; N810-K812 PolarHBondContact O-N 3.14Å; N810-K813 WeakPolarHBondContact O-CB 3.04Å; N810-K813 PolarHBondContact O-N 3.45Å; N810-E814 PolarHBondContact ND2-OE1 3.4Å; N810-E814 WeakPolarHBondContact O-CG 3.36Å; N810-E814 PolarHBondContact O-N 3.39Å
811	A	95.6	Very high	94.1	Very high	49 Å²	49	72 Å²	72	41%	0.405	35%	0.353	S	S	.	.	H	α-helix	trans	-60.5	-44.1	173.6	0	0	0	0	0	111.7	K807 E808 K813 E814 E815	K807-A811 PolarHBondContact O-N 3.26Å; E808-A811 PolarHBondContact O-N 3.28Å; A811-K813 VanDerWaalsContact C-N 3.34Å; A811-K813 PolarHBondContact O-N 2.86Å; A811-E814 PolarHBondContact O-N 3.26Å; A811-E815 PolarHBondContact O-N 3.42Å
812	K	94	Very high	93.7	Very high	90 Å²	90	73.8 Å²	73.8	39%	0.391	37%	0.366	S	S	.	.	H	α-helix	trans	-63.6	-37.3	174.3	-76.8	-174.8	171.9	-71.4	0	113.2	W728 P770 E808 W809 N810 Y816	W728-K812 HydrophobicContact CH2-CD 4.08Å; W728-K812 HydrophobicContact CZ2-CD 3.97Å; W728-K812 VanDerWaalsContact CZ2-CE 3.44Å; P770-K812 HydrophobicContact CB-CB 4.03Å; P770-K812 HydrophobicContact CG-CB 4.02Å; E808-K812 PolarHBondContact O-N 3.34Å; E808-K812 VanDerWaalsContact O-N 3.08Å; W809-K812 HydrophobicContact CE3-CD 4.13Å; W809-K812 HydrophobicContact CZ3-CD 4.08Å; W809-K812 PolarHBondContact O-N 3.49Å; N810-K812 PolarHBondContact O-N 3.14Å; K812-Y816 PolarHBondContact O-N 3.28Å; K812-Y816 VanDerWaalsContact O-N 3.13Å
813	K	93.9	Very high	93.2	Very high	51 Å²	51	78.7 Å²	78.7	22%	0.222	39%	0.392	C	S	.	.	H	α-helix	trans	-63	-49	175	177.2	-163	161	-160.6	0	110.7	P770 K771 W809 N810 A811 E815 Y816 E817	P770-K813 HydrophobicContact CB-CB 3.99Å; K771-K813 HydrophobicContact CB-CD 4.29Å; K771-K813 HydrophobicContact CB-CG 4.16Å; K771-K813 HydrophobicContact CG-CD 4.38Å; W809-K813 WeakPolarHBondContact O-CB 3.38Å; W809-K813 PolarHBondContact O-N 3.12Å; N810-K813 WeakPolarHBondContact O-CB 3.04Å; N810-K813 PolarHBondContact O-N 3.45Å; A811-K813 VanDerWaalsContact C-N 3.34Å; A811-K813 PolarHBondContact O-N 2.86Å; K813-E815 VanDerWaalsContact C-N 3.33Å; K813-E815 PolarHBondContact O-N 3.34Å; K813-Y816 PolarHBondContact O-N 3.06Å; K813-E817 WeakPolarHBondContact CE-OE1 3.33Å; K813-E817 IonicContact NZ-OE1 2.81Å; K813-E817 WeakPolarHBondContact O-CG 3.47Å; K813-E817 PolarHBondContact O-N 3.08Å
814	E	93.9	Very high	92.7	Very high	109 Å²	109	81 Å²	81	51%	0.509	40%	0.4	S	S	.	.	H	α-helix	trans	-62.4	-39.8	179	-73.2	173.6	-175	0	0	111.8	N810 A811 Y816 E817 A818	N810-E814 PolarHBondContact ND2-OE1 3.4Å; N810-E814 WeakPolarHBondContact O-CG 3.36Å; N810-E814 PolarHBondContact O-N 3.39Å; A811-E814 PolarHBondContact O-N 3.26Å; E814-Y816 VanDerWaalsContact C-N 3.32Å; E814-Y816 PolarHBondContact O-N 2.99Å; E814-E817 PolarHBondContact O-N 3.43Å; E814-A818 WeakPolarHBondContact O-CB 3.41Å; E814-A818 PolarHBondContact O-N 3.25Å
815	E	92.8	Very high	92.2	Very high	100 Å²	100	81.6 Å²	81.6	47%	0.467	40%	0.4	S	S	.	.	H	α-helix	trans	-58.8	-43.4	173.7	-169.8	-164.4	153.7	0	0	111.7	A811 K813 K819	A811-E815 PolarHBondContact O-N 3.42Å; K813-E815 VanDerWaalsContact C-N 3.33Å; K813-E815 PolarHBondContact O-N 3.34Å; E815-K819 WeakPolarHBondContact O-CG 3.2Å; E815-K819 PolarHBondContact O-N 2.88Å; E815-K819 VanDerWaalsContact O-N 3.13Å; E815-K819 WeakPolarHBondContact OE1-CE 3.49Å; E815-K819 IonicContact OE1-NZ 3.54Å; E815-K819 PolarHBondContact OE1-NZ 2.78Å
816	Y	90.8	Very high	91.5	Very high	67 Å²	67	86.4 Å²	86.4	26%	0.263	42%	0.422	S	S	.	.	H	α-helix	trans	-69.3	-43	178.4	177.5	-117	0	0	0	112.6	A767 E768 K812 K813 E814 A818 K819 L820	A767-Y816 HydrophobicContact CB-CD2 4.01Å; A767-Y816 HydrophobicContact CB-CE1 4.26Å; A767-Y816 HydrophobicContact CB-CE2 3.37Å; A767-Y816 VanDerWaalsContact CB-CZ 3.49Å; A767-Y816 WeakPolarHBondContact O-CD1 3.26Å; E768-Y816 HydrophobicContact CG-CE1 4.22Å; K812-Y816 PolarHBondContact O-N 3.28Å; K812-Y816 VanDerWaalsContact O-N 3.13Å; K813-Y816 PolarHBondContact O-N 3.06Å; E814-Y816 VanDerWaalsContact C-N 3.32Å; E814-Y816 PolarHBondContact O-N 2.99Å; Y816-A818 VanDerWaalsContact C-N 3.31Å; Y816-A818 PolarHBondContact O-N 3.14Å; Y816-K819 PolarHBondContact O-N 2.78Å; Y816-L820 HydrophobicContact CD1-CD1 3.99Å; Y816-L820 HydrophobicContact CD2-CG 4.48Å; Y816-L820 HydrophobicContact CE1-CD1 3.39Å; Y816-L820 HydrophobicContact CE1-CG 4.12Å; Y816-L820 HydrophobicContact CE2-CD1 4.15Å; Y816-L820 HydrophobicContact CE2-CD2 4.35Å; Y816-L820 HydrophobicContact CE2-CG 3.96Å; Y816-L820 VanDerWaalsContact CZ-CD1 3.49Å; Y816-L820 PolarHBondContact O-N 2.96Å
817	E	90.6	Very high	90.9	Very high	83 Å²	83	87.9 Å²	87.9	39%	0.388	43%	0.431	S	S	.	.	H	α-helix	trans	-62.2	-38.7	176.7	-73.5	178.5	170.3	0	0	111.6	K813 E814 L820 K821	K813-E817 WeakPolarHBondContact CE-OE1 3.33Å; K813-E817 IonicContact NZ-OE1 2.81Å; K813-E817 WeakPolarHBondContact O-CG 3.47Å; K813-E817 PolarHBondContact O-N 3.08Å; E814-E817 PolarHBondContact O-N 3.43Å; E817-L820 PolarHBondContact O-N 3.31Å; E817-K821 WeakPolarHBondContact O-CB 3.5Å; E817-K821 PolarHBondContact O-N 3.18Å
818	A	90.6	Very high	90.1	Very high	64 Å²	64	83.3 Å²	83.3	53%	0.529	42%	0.421	S	S	.	.	H	α-helix	trans	-63.6	-42.2	173.6	0	0	0	0	0	112.4	E814 Y816 K821 A822	E814-A818 WeakPolarHBondContact O-CB 3.41Å; E814-A818 PolarHBondContact O-N 3.25Å; Y816-A818 VanDerWaalsContact C-N 3.31Å; Y816-A818 PolarHBondContact O-N 3.14Å; A818-K821 PolarHBondContact O-N 3.12Å; A818-A822 PolarHBondContact O-N 3.19Å
819	K	89.8	Confident	89.3	Confident	113 Å²	113	82 Å²	82	49%	0.491	43%	0.425	S	S	.	.	H	α-helix	trans	-62.9	-44.1	175.2	-74.9	175.1	-173.5	169.9	0	112	E815 Y816 A822 I823	E815-K819 WeakPolarHBondContact O-CG 3.2Å; E815-K819 PolarHBondContact O-N 2.88Å; E815-K819 VanDerWaalsContact O-N 3.13Å; E815-K819 WeakPolarHBondContact OE1-CE 3.49Å; E815-K819 IonicContact OE1-NZ 3.54Å; E815-K819 PolarHBondContact OE1-NZ 2.78Å; Y816-K819 PolarHBondContact O-N 2.78Å; K819-A822 PolarHBondContact O-N 2.95Å; K819-I823 VanDerWaalsContact O-CG1 3.31Å; K819-I823 WeakPolarHBondContact O-CG1 3.39Å; K819-I823 PolarHBondContact O-N 3.37Å; K819-I823 VanDerWaalsContact O-N 3.1Å
820	L	87.8	Confident	88.6	Confident	64 Å²	64	87.1 Å²	87.1	34%	0.335	45%	0.448	S	S	.	.	H	α-helix	trans	-61	-47.3	176.6	-81.3	175.3	0	0	0	111.6	Y816 E817 A822 I823 E824	Y816-L820 HydrophobicContact CD1-CD1 3.99Å; Y816-L820 HydrophobicContact CD2-CG 4.48Å; Y816-L820 HydrophobicContact CE1-CD1 3.39Å; Y816-L820 HydrophobicContact CE1-CG 4.12Å; Y816-L820 HydrophobicContact CE2-CD1 4.15Å; Y816-L820 HydrophobicContact CE2-CD2 4.35Å; Y816-L820 HydrophobicContact CE2-CG 3.96Å; Y816-L820 VanDerWaalsContact CZ-CD1 3.49Å; Y816-L820 PolarHBondContact O-N 2.96Å; E817-L820 PolarHBondContact O-N 3.31Å; L820-A822 VanDerWaalsContact C-N 3.31Å; L820-A822 PolarHBondContact O-N 3.01Å; L820-I823 PolarHBondContact O-N 3.19Å; L820-I823 VanDerWaalsContact O-N 3.12Å; L820-E824 WeakPolarHBondContact O-CG 3.5Å; L820-E824 PolarHBondContact O-N 2.95Å
821	K	88.8	Confident	87.8	Confident	128 Å²	128	90 Å²	90	56%	0.557	46%	0.46	S	S	*	.	H	α-helix	trans	-59.8	-41.6	179	-169	-179.7	178.9	-171.1	0	112	E817 A818 I823 E824 E825	E817-K821 WeakPolarHBondContact O-CB 3.5Å; E817-K821 PolarHBondContact O-N 3.18Å; A818-K821 PolarHBondContact O-N 3.12Å; K821-I823 PolarHBondContact O-N 2.91Å; K821-E824 PolarHBondContact O-N 3.26Å; K821-E825 VanDerWaalsContact CE-OE1 3.24Å; K821-E825 WeakPolarHBondContact CE-OE1 3.42Å; K821-E825 WeakPolarHBondContact O-CB 3.45Å; K821-E825 VanDerWaalsContact O-CG 3.31Å; K821-E825 WeakPolarHBondContact O-CG 3.47Å; K821-E825 PolarHBondContact O-N 3.44Å
822	A	88.6	Confident	87	Confident	52 Å²	52	90.5 Å²	90.5	43%	0.43	46%	0.464	S	S	.	.	H	α-helix	trans	-63	-39.7	175.6	0	0	0	0	0	112.6	A818 K819 L820 E825 E826	A818-A822 PolarHBondContact O-N 3.19Å; K819-A822 PolarHBondContact O-N 2.95Å; L820-A822 VanDerWaalsContact C-N 3.31Å; L820-A822 PolarHBondContact O-N 3.01Å; A822-E825 PolarHBondContact O-N 3.21Å; A822-E826 WeakPolarHBondContact O-CB 3.3Å; A822-E826 PolarHBondContact O-N 2.86Å
823	I	85.9	Confident	86.1	Confident	103 Å²	103	88.7 Å²	88.7	53%	0.528	47%	0.466	S	S	.	.	H	α-helix	trans	-66.6	-41.1	176	-67.5	165.8	0	0	0	111	K819 L820 K821 E826 K827	K819-I823 VanDerWaalsContact O-CG1 3.31Å; K819-I823 WeakPolarHBondContact O-CG1 3.39Å; K819-I823 PolarHBondContact O-N 3.37Å; K819-I823 VanDerWaalsContact O-N 3.1Å; L820-I823 PolarHBondContact O-N 3.19Å; L820-I823 VanDerWaalsContact O-N 3.12Å; K821-I823 PolarHBondContact O-N 2.91Å; I823-E826 PolarHBondContact O-N 2.86Å; I823-K827 VanDerWaalsContact O-CB 3.32Å; I823-K827 WeakPolarHBondContact O-CB 3.46Å; I823-K827 PolarHBondContact O-N 3.44Å
824	E	85.2	Confident	85.2	Confident	131 Å²	131	92.9 Å²	92.9	61%	0.612	49%	0.486	S	S	*	.	H	α-helix	trans	-64.4	-42.9	176.3	-73.6	-178.5	170	0	0	111.8	L820 K821 K827 A828	L820-E824 WeakPolarHBondContact O-CG 3.5Å; L820-E824 PolarHBondContact O-N 2.95Å; K821-E824 PolarHBondContact O-N 3.26Å; E824-K827 PolarHBondContact O-N 2.65Å; E824-A828 VanDerWaalsContact O-CB 3.3Å; E824-A828 WeakPolarHBondContact O-CB 3.15Å; E824-A828 PolarHBondContact O-N 2.74Å
825	E	86.8	Confident	84.2	Confident	114 Å²	114	90.5 Å²	90.5	53%	0.533	49%	0.485	S	S	.	.	H	α-helix	trans	-62.9	-41.5	174.6	-73.4	173.2	-176.5	0	0	111.5	K821 A822 A829	K821-E825 VanDerWaalsContact CE-OE1 3.24Å; K821-E825 WeakPolarHBondContact CE-OE1 3.42Å; K821-E825 WeakPolarHBondContact O-CB 3.45Å; K821-E825 VanDerWaalsContact O-CG 3.31Å; K821-E825 WeakPolarHBondContact O-CG 3.47Å; K821-E825 PolarHBondContact O-N 3.44Å; A822-E825 PolarHBondContact O-N 3.21Å; E825-A829 VanDerWaalsContact O-CB 3.3Å; E825-A829 WeakPolarHBondContact O-CB 3.29Å; E825-A829 PolarHBondContact O-N 2.99Å
826	E	83.6	Confident	83.2	Confident	106 Å²	106	88.7 Å²	88.7	50%	0.495	49%	0.487	S	S	.	.	H	α-helix	trans	-66.1	-39.9	175.3	-166.3	-170.1	159.4	0	0	112	A822 I823 A829 K830	A822-E826 WeakPolarHBondContact O-CB 3.3Å; A822-E826 PolarHBondContact O-N 2.86Å; I823-E826 PolarHBondContact O-N 2.86Å; E826-A829 PolarHBondContact O-N 3.33Å; E826-K830 WeakPolarHBondContact O-CG 3.41Å; E826-K830 PolarHBondContact O-N 2.95Å; E826-K830 WeakPolarHBondContact OE1-CE 3.35Å; E826-K830 IonicContact OE1-NZ 3.38Å; E826-K830 PolarHBondContact OE1-NZ 3.3Å
827	K	83.4	Confident	82.2	Confident	128 Å²	128	92.9 Å²	92.9	56%	0.557	51%	0.507	S	S	*	.	H	α-helix	trans	-66.4	-46.3	176.8	-172.6	179.3	175.1	-173	0	111.1	I823 E824 A829 K830 E831	I823-K827 VanDerWaalsContact O-CB 3.32Å; I823-K827 WeakPolarHBondContact O-CB 3.46Å; I823-K827 PolarHBondContact O-N 3.44Å; E824-K827 PolarHBondContact O-N 2.65Å; K827-A829 VanDerWaalsContact C-N 3.3Å; K827-A829 PolarHBondContact O-N 2.98Å; K827-K830 PolarHBondContact O-N 2.99Å; K827-E831 WeakPolarHBondContact CE-OE1 3.31Å; K827-E831 WeakPolarHBondContact O-CB 3.35Å; K827-E831 WeakPolarHBondContact O-CG 3.49Å; K827-E831 PolarHBondContact O-N 3.06Å
828	A	81.2	Confident	80.9	Confident	52 Å²	52	91.9 Å²	91.9	43%	0.43	51%	0.513	S	S	.	.	H	α-helix	trans	-60.6	-39.3	174.8	0	0	0	0	0	111.6	E824 E831 A832	E824-A828 VanDerWaalsContact O-CB 3.3Å; E824-A828 WeakPolarHBondContact O-CB 3.15Å; E824-A828 PolarHBondContact O-N 2.74Å; A828-E831 PolarHBondContact O-N 3.38Å; A828-A832 VanDerWaalsContact O-CB 3.25Å; A828-A832 WeakPolarHBondContact O-CB 3.29Å; A828-A832 PolarHBondContact O-N 2.62Å
829	A	80.4	Confident	79.5	Confident	61 Å²	61	92.3 Å²	92.3	50%	0.504	52%	0.517	S	S	.	.	H	α-helix	trans	-65.6	-40.1	174.5	0	0	0	0	0	112.6	E825 E826 K827 A833	E825-A829 VanDerWaalsContact O-CB 3.3Å; E825-A829 WeakPolarHBondContact O-CB 3.29Å; E825-A829 PolarHBondContact O-N 2.99Å; E826-A829 PolarHBondContact O-N 3.33Å; K827-A829 VanDerWaalsContact C-N 3.3Å; K827-A829 PolarHBondContact O-N 2.98Å; A829-A833 VanDerWaalsContact O-CB 3.3Å; A829-A833 WeakPolarHBondContact O-CB 3.46Å; A829-A833 PolarHBondContact O-N 3.21Å
830	K	80.4	Confident	78.1	Confident	120 Å²	120	90.6 Å²	90.6	52%	0.522	52%	0.523	S	S	.	.	H	α-helix	trans	-66.9	-41.6	174.6	-77.4	176	-174.3	164.4	0	112.3	E826 K827 A833 Q834	E826-K830 WeakPolarHBondContact O-CG 3.41Å; E826-K830 PolarHBondContact O-N 2.95Å; E826-K830 WeakPolarHBondContact OE1-CE 3.35Å; E826-K830 IonicContact OE1-NZ 3.38Å; E826-K830 PolarHBondContact OE1-NZ 3.3Å; K827-K830 PolarHBondContact O-N 2.99Å; K830-A833 PolarHBondContact O-N 3.4Å; K830-Q834 WeakPolarHBondContact O-CB 3.49Å; K830-Q834 WeakPolarHBondContact O-CG 3.43Å; K830-Q834 PolarHBondContact O-N 2.93Å
831	E	80.9	Confident	76.6	Confident	104 Å²	104	94.1 Å²	94.1	49%	0.486	54%	0.543	S	S	.	.	H	α-helix	trans	-65.6	-42.4	176	-73.9	174.8	-178.3	0	0	111.1	K827 A828 A833 Q834 A835	K827-E831 WeakPolarHBondContact CE-OE1 3.31Å; K827-E831 WeakPolarHBondContact O-CB 3.35Å; K827-E831 WeakPolarHBondContact O-CG 3.49Å; K827-E831 PolarHBondContact O-N 3.06Å; A828-E831 PolarHBondContact O-N 3.38Å; E831-A833 PolarHBondContact O-N 3.25Å; E831-Q834 PolarHBondContact O-N 3.15Å; E831-A835 WeakPolarHBondContact O-CB 3.31Å; E831-A835 PolarHBondContact O-N 2.62Å
832	A	77.3	Confident	74.8	Confident	61 Å²	61	94 Å²	94	50%	0.504	55%	0.548	S	S	.	.	H	α-helix	trans	-63.1	-40.4	173.2	0	0	0	0	0	112.2	A828 A835 A836	A828-A832 VanDerWaalsContact O-CB 3.25Å; A828-A832 WeakPolarHBondContact O-CB 3.29Å; A828-A832 PolarHBondContact O-N 2.62Å; A832-A835 PolarHBondContact O-N 3.47Å; A832-A836 WeakPolarHBondContact O-CB 3.33Å; A832-A836 PolarHBondContact O-N 2.87Å
833	A	76	Confident	73	Confident	52 Å²	52	97.4 Å²	97.4	43%	0.43	57%	0.566	S	S	.	*	H	α-helix	trans	-68.6	-35.5	175.7	0	0	0	0	0	112.8	A829 K830 E831 K837	A829-A833 VanDerWaalsContact O-CB 3.3Å; A829-A833 WeakPolarHBondContact O-CB 3.46Å; A829-A833 PolarHBondContact O-N 3.21Å; K830-A833 PolarHBondContact O-N 3.4Å; E831-A833 PolarHBondContact O-N 3.25Å; A833-K837 WeakPolarHBondContact O-CB 3.43Å; A833-K837 WeakPolarHBondContact O-CG 3.47Å; A833-K837 PolarHBondContact O-N 2.71Å
834	Q	75.1	Confident	71.2	Confident	138 Å²	138	97.3 Å²	97.3	65%	0.645	58%	0.575	S	S	*	*	H	α-helix	trans	-69.3	-41.8	172.5	-80.4	-179.4	-9.6	0	0	111.8	K830 E831 A836 K837 A838	K830-Q834 WeakPolarHBondContact O-CB 3.49Å; K830-Q834 WeakPolarHBondContact O-CG 3.43Å; K830-Q834 PolarHBondContact O-N 2.93Å; E831-Q834 PolarHBondContact O-N 3.15Å; Q834-A836 VanDerWaalsContact C-N 3.35Å; Q834-K837 PolarHBondContact O-N 3.36Å; Q834-A838 WeakPolarHBondContact O-CB 3.41Å; Q834-A838 PolarHBondContact O-N 3.18Å
835	A	72.1	Confident	69.1	Low	59 Å²	59	94.9 Å²	94.9	49%	0.488	58%	0.584	S	S	.	*	H	α-helix	trans	-62.7	-40.6	174	0	0	0	0	0	111.7	E831 A832 A838 A839	E831-A835 WeakPolarHBondContact O-CB 3.31Å; E831-A835 PolarHBondContact O-N 2.62Å; A832-A835 PolarHBondContact O-N 3.47Å; A835-A838 PolarHBondContact O-N 2.83Å; A835-A839 WeakPolarHBondContact O-CB 2.94Å; A835-A839 PolarHBondContact O-N 3.04Å
836	A	72.8	Confident	66.9	Low	62 Å²	62	93.4 Å²	93.4	51%	0.512	60%	0.6	S	S	.	*	H	α-helix	trans	-65.3	-39	174.1	0	0	0	0	0	112.5	A832 Q834 A839 A840	A832-A836 WeakPolarHBondContact O-CB 3.33Å; A832-A836 PolarHBondContact O-N 2.87Å; Q834-A836 VanDerWaalsContact C-N 3.35Å; A836-A839 PolarHBondContact O-N 3.45Å; A836-A840 WeakPolarHBondContact O-CB 3.47Å; A836-A840 PolarHBondContact O-N 3.5Å
837	K	69.3	Low	64.8	Low	155 Å²	155	92 Å²	92	67%	0.674	61%	0.613	S	S	*	*	H	α-helix	trans	-67.4	-37.2	172.5	-80.5	-178.4	177.2	-179.9	0	112.7	A833 Q834 A840 N841	A833-K837 WeakPolarHBondContact O-CB 3.43Å; A833-K837 WeakPolarHBondContact O-CG 3.47Å; A833-K837 PolarHBondContact O-N 2.71Å; Q834-K837 PolarHBondContact O-N 3.36Å; K837-A840 PolarHBondContact O-N 3.44Å; K837-N841 PolarHBondContact O-N 3.16Å; K837-N841 VanDerWaalsContact O-N 3.1Å
838	A	63.4	Low	62.5	Low	63 Å²	63	91.3 Å²	91.3	52%	0.521	63%	0.625	S	S	.	*	H	α-helix	trans	-67.2	-37.4	175	0	0	0	0	0	111.9	Q834 A835 N841	Q834-A838 WeakPolarHBondContact O-CB 3.41Å; Q834-A838 PolarHBondContact O-N 3.18Å; A835-A838 PolarHBondContact O-N 2.83Å; A838-N841 PolarHBondContact O-N 2.75Å
839	A	60.3	Low	61	Low	72 Å²	72	98.4 Å²	98.4	60%	0.595	65%	0.646	S	S	*	*	H	α-helix	trans	-68.3	-36.2	173.1	0	0	0	0	0	112.7	A835 A836 N842	A835-A839 WeakPolarHBondContact O-CB 2.94Å; A835-A839 PolarHBondContact O-N 3.04Å; A836-A839 PolarHBondContact O-N 3.45Å; A839-N842 PolarHBondContact O-N 3.29Å
840	A	60.5	Low	59	Low	77 Å²	77	102.2 Å²	102.2	64%	0.636	66%	0.663	S	S	*	*	H	α-helix	trans	-71.2	-27.2	176.6	0	0	0	0	0	113.6	A836 K837 N842	A836-A840 WeakPolarHBondContact O-CB 3.47Å; A836-A840 PolarHBondContact O-N 3.5Å; K837-A840 PolarHBondContact O-N 3.44Å; A840-N842 VanDerWaalsContact C-N 3.34Å
841	N	56.6	Low	56.9	Low	139 Å²	139	102.2 Å²	102.2	74%	0.743	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.1	3.1	178.2	-80.6	-8.5	0	0	0	114.3	K837 A838 P843	K837-N841 PolarHBondContact O-N 3.16Å; K837-N841 VanDerWaalsContact O-N 3.1Å; A838-N841 PolarHBondContact O-N 2.75Å; N841-P843 WeakPolarHBondContact O-CD 3.41Å
842	N	50.6	Low	54.6	Low	125 Å²	125	102.7 Å²	102.7	67%	0.668	69%	0.692	S	S	*	*			trans	-121.5	75.8	177.7	-123.4	3	0	0	0	111.6	A839 A840 S844	A839-N842 PolarHBondContact O-N 3.29Å; A840-N842 VanDerWaalsContact C-N 3.34Å; N842-S844 VanDerWaalsContact C-N 3.27Å; N842-S844 PolarHBondContact O-N 2.97Å
843	P	50.3	Low	52.8	Low	124 Å²	124	106.4 Å²	106.4	81%	0.805	71%	0.708	S	S	*	*			trans	-82.9	71.4	173.8	35.4	-32.2	0	0	0	109.8	N841	N841-P843 WeakPolarHBondContact O-CD 3.41Å
844	S	49.7	Very low	50.8	Low	101 Å²	101	113.6 Å²	113.6	71%	0.706	75%	0.753	S	S	*	*			trans	-152.9	103.7	165.5	64	0	0	0	0	111.3	N842	N842-S844 VanDerWaalsContact C-N 3.27Å; N842-S844 PolarHBondContact O-N 2.97Å
845	G	40.2	Very low	49.6	Very low	79 Å²	79	112.4 Å²	112.4	81%	0.814	76%	0.758	S	S	*	*			trans	-164.9	48.5	175.8	0	0	0	0	0	112.6	G847	G845-G847 PolarHBondContact O-N 3.34Å
846	G	40.5	Very low	48.4	Very low	84 Å²	84	115.2 Å²	115.2	87%	0.866	77%	0.773	S	S	*	*			trans	-68.7	112.7	161	0	0	0	0	0	110
847	G	40.5	Very low	47	Very low	75 Å²	75	118.2 Å²	118.2	77%	0.773	79%	0.787	S	S	*	*			trans	52.2	121	148.8	0	0	0	0	0	120.6	G845	G845-G847 PolarHBondContact O-N 3.34Å
848	S	35.3	Very low	45.7	Very low	114 Å²	114	116 Å²	116	80%	0.797	79%	0.794	S	S	*	*				-167.9	133.4	114.9	-170.3	0	0	0	0	111.2
849	K	49	Very low	44.6	Very low	201 Å²	201	119.3 Å²	119.3	87%	0.874	81%	0.811	S	S	*	*			trans	-82.1	129.2	165.5	-74.5	176.6	173.8	177.5	0	108.2
850	T	38.9	Very low	43.6	Very low	142 Å²	142	122.5 Å²	122.5	87%	0.871	83%	0.825	S	S	*	*			trans	-151.3	138.4	149.4	12.2	0	0	0	0	112.3
851	C	35.2	Very low	42.4	Very low	119 Å²	119	125.7 Å²	125.7	80%	0.804	84%	0.839	S	S	*	*			trans	-64.7	150.2	-178.4	-165.9	0	0	0	0	113.6
852	S	32.9	Very low	41.3	Very low	115 Å²	115	124.7 Å²	124.7	80%	0.804	85%	0.846	S	S	*	*				-175.8	124.2	124	30.1	0	0	0	0	111.8
853	V	39	Very low	40.5	Very low	139 Å²	139	124.7 Å²	124.7	84%	0.842	86%	0.861	S	S	*	*			trans	-110	122.7	151	172.2	0	0	0	0	105.6
854	C	34.6	Very low	39.6	Very low	203 Å²	203	124.7 Å²	124.7	100%	1.372	87%	0.866	S	S	*	*			trans	-170	0	139.7	-97	0	0	0	0	107.2

Retrieved 854 of 854 residues in 613.3 ms (Link to these results)

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