A0A087YFK3_POEFO Loading...

Dynein regulatory complex protein 1

Component of the nexin-dynein regulatory complex (N-DRC) a key regulator of ciliary/flagellar motility which maintains the alignment and integrity of the distal axoneme and regulates microtubule sliding in motile axonemes. Plays a critical role in the assembly of N-DRC and also stabilizes the assembly of multiple inner dynein arms and radial spokes. Coassembles with CCDC65/DRC2 to form a central scaffold needed for assembly of the N-DRC and its attachment to the outer doublet microtubules.

AlphaFold DB , UniProt , Accession A0A087YFK3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 667 aa.

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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	E	41.3	Very low	66.1	Low	250 Å²	250	118.7 Å²	118.7	100%	1.168	58%	0.576	S	S	*	*				0	115.4	0	-75.1	170.6	158.8	0	0	107.2
2	E	39.7	Very low	67.7	Low	186 Å²	186	113.7 Å²	113.7	87%	0.869	55%	0.551	S	S	*	*			trans	-59.5	140.3	-160.5	-71.6	157.5	144.6	0	0	111.9	K4	E2-K4 VanDerWaalsContact C-N 3.26Å; E2-K4 PolarHBondContact O-N 3.04Å
3	S	53.6	Low	68.9	Low	119 Å²	119	105.9 Å²	105.9	83%	0.832	52%	0.515	S	S	*	.			trans	-55.4	91.9	166.8	50.7	0	0	0	0	108.8	S5	S3-S5 PolarHBondContact O-N 3.47Å
4	K	60	Low	70.1	Confident	105 Å²	105	105.4 Å²	105.4	46%	0.457	51%	0.511	S	S	.	.			trans	-48.1	129	163.7	-73.2	-173.8	176.4	-171.9	0	106.8	E2 K6 E8 Q9 E12	E2-K4 VanDerWaalsContact C-N 3.26Å; E2-K4 PolarHBondContact O-N 3.04Å; K4-K6 PolarHBondContact O-N 3.16Å; K4-E8 HydrophobicContact CB-CB 4.36Å; K4-Q9 HydrophobicContact CB-CG 3.88Å; K4-Q9 HydrophobicContact CD-CG 4.4Å; K4-E12 IonicContact NZ-OE1 2.57Å; K4-E12 PolarHBondContact NZ-OE1 3.05Å; K4-E12 IonicContact NZ-OE2 2.87Å; K4-E12 PolarHBondContact NZ-OE2 3.36Å
5	S	70.1	Confident	71.4	Confident	56 Å²	56	106.3 Å²	106.3	39%	0.392	52%	0.515	S	S	.	.			trans	-49.7	141.8	176.1	171.4	0	0	0	0	109.3	S3 E7 E8 Q9	S3-S5 PolarHBondContact O-N 3.47Å; S5-E7 PolarHBondContact O-N 3.47Å; S5-E7 VanDerWaalsContact O-N 3.07Å; S5-E7 PolarHBondContact OG-N 3.09Å; S5-E8 WeakPolarHBondContact O-CA 3.39Å; S5-E8 VanDerWaalsContact O-CB 3.28Å; S5-E8 WeakPolarHBondContact O-CB 3.32Å; S5-E8 PolarHBondContact O-N 3.28Å; S5-Q9 PolarHBondContact O-N 3.1Å
6	K	71.2	Confident	72.3	Confident	101 Å²	101	106.1 Å²	106.1	44%	0.439	51%	0.507	S	S	.	.	H	α-helix	trans	-47.2	-39.6	175	-70.2	-176	173.7	-167.9	0	111.1	K4 E8 Q9 E10 E168	K4-K6 PolarHBondContact O-N 3.16Å; K6-E8 PolarHBondContact O-N 3.06Å; K6-Q9 PolarHBondContact O-N 3.37Å; K6-E10 WeakPolarHBondContact O-CG 3.42Å; K6-E10 PolarHBondContact O-N 3.34Å; K6-E168 VanDerWaalsContact CE-CD 3.42Å; K6-E168 WeakPolarHBondContact CE-OE1 3.38Å; K6-E168 WeakPolarHBondContact CE-OE2 3.33Å; K6-E168 IonicContact NZ-OE1 3.6Å; K6-E168 IonicContact NZ-OE2 3.11Å; K6-E168 PolarHBondContact NZ-OE2 3.22Å
7	E	74.9	Confident	73.2	Confident	130 Å²	130	101.5 Å²	101.5	61%	0.607	49%	0.485	S	S	*	.	H	α-helix	trans	-64.9	-34.4	178.1	-60.1	176	167.4	0	0	113.7	S5 Q9 R11	S5-E7 PolarHBondContact O-N 3.47Å; S5-E7 VanDerWaalsContact O-N 3.07Å; S5-E7 PolarHBondContact OG-N 3.09Å; E7-Q9 VanDerWaalsContact C-N 3.35Å; E7-R11 WeakPolarHBondContact O-CB 3.09Å; E7-R11 WeakPolarHBondContact O-CG 3.46Å; E7-R11 PolarHBondContact O-N 3.28Å; E7-R11 VanDerWaalsContact O-N 3.09Å; E7-R11 PolarHBondContact O-NE 3.13Å
8	E	79.8	Confident	74.1	Confident	77 Å²	77	102.6 Å²	102.6	36%	0.36	49%	0.487	S	S	.	.	H	α-helix	trans	-67.3	-40.3	176.6	-163.2	96.9	-118.4	0	0	110.6	K4 S5 K6 R11 E12	K4-E8 HydrophobicContact CB-CB 4.36Å; S5-E8 WeakPolarHBondContact O-CA 3.39Å; S5-E8 VanDerWaalsContact O-CB 3.28Å; S5-E8 WeakPolarHBondContact O-CB 3.32Å; S5-E8 PolarHBondContact O-N 3.28Å; K6-E8 PolarHBondContact O-N 3.06Å; E8-R11 PolarHBondContact O-N 2.65Å; E8-R11 IonicContact OE1-CZ 3.92Å; E8-R11 IonicContact OE1-NH1 3.87Å; E8-R11 PolarHBondContact OE1-NH1 2.93Å; E8-R11 IonicContact OE1-NH2 3.27Å; E8-R11 PolarHBondContact OE1-NH2 3.49Å; E8-R11 VanDerWaalsContact OE1-NH2 3.13Å; E8-R11 IonicContact OE2-NH2 2.75Å; E8-E12 WeakPolarHBondContact O-CG 3.42Å; E8-E12 PolarHBondContact O-N 2.83Å
9	Q	73.4	Confident	75	Confident	52 Å²	52	102.7 Å²	102.7	24%	0.243	49%	0.491	C	S	.	.	H	α-helix	trans	-75.3	-36.3	-178.5	-66.4	-177.5	-21.9	0	0	112.4	K4 S5 K6 E7 E12 S13	K4-Q9 HydrophobicContact CB-CG 3.88Å; K4-Q9 HydrophobicContact CD-CG 4.4Å; S5-Q9 PolarHBondContact O-N 3.1Å; K6-Q9 PolarHBondContact O-N 3.37Å; E7-Q9 VanDerWaalsContact C-N 3.35Å; Q9-E12 PolarHBondContact O-N 3.46Å; Q9-S13 PolarHBondContact O-N 2.92Å
10	E	79.1	Confident	75.6	Confident	116 Å²	116	100.8 Å²	100.8	54%	0.542	48%	0.483	S	S	.	.	H	α-helix	trans	-61.7	-45	170.9	-74.9	172.2	-176.4	0	0	110.6	K6 E12 S13 E14	K6-E10 WeakPolarHBondContact O-CG 3.42Å; K6-E10 PolarHBondContact O-N 3.34Å; E10-E12 PolarHBondContact O-N 2.96Å; E10-S13 PolarHBondContact O-N 2.97Å; E10-E14 WeakPolarHBondContact O-CG 3.46Å; E10-E14 PolarHBondContact O-N 3Å
11	R	84.6	Confident	76.3	Confident	114 Å²	114	99.9 Å²	99.9	43%	0.43	48%	0.478	S	S	.	.	H	α-helix	trans	-59.1	-43.9	174.1	-80.4	-173.4	-78.5	109.7	-9.2	112.9	E7 E8 E14 Q15	E7-R11 WeakPolarHBondContact O-CB 3.09Å; E7-R11 WeakPolarHBondContact O-CG 3.46Å; E7-R11 PolarHBondContact O-N 3.28Å; E7-R11 VanDerWaalsContact O-N 3.09Å; E7-R11 PolarHBondContact O-NE 3.13Å; E8-R11 PolarHBondContact O-N 2.65Å; E8-R11 IonicContact OE1-CZ 3.92Å; E8-R11 IonicContact OE1-NH1 3.87Å; E8-R11 PolarHBondContact OE1-NH1 2.93Å; E8-R11 IonicContact OE1-NH2 3.27Å; E8-R11 PolarHBondContact OE1-NH2 3.49Å; E8-R11 VanDerWaalsContact OE1-NH2 3.13Å; E8-R11 IonicContact OE2-NH2 2.75Å; R11-E14 PolarHBondContact O-N 3.49Å; R11-Q15 WeakPolarHBondContact O-CB 3.3Å; R11-Q15 VanDerWaalsContact O-CG 3.28Å; R11-Q15 WeakPolarHBondContact O-CG 3.46Å; R11-Q15 PolarHBondContact O-N 2.95Å
12	E	84.4	Confident	78.5	Confident	58 Å²	58	94.7 Å²	94.7	27%	0.271	45%	0.452	S	S	.	.	H	α-helix	trans	-63.4	-40.9	176.8	-75.7	178.8	-173.8	0	0	112.2	K4 E8 Q9 E10 Q15 R16	K4-E12 IonicContact NZ-OE1 2.57Å; K4-E12 PolarHBondContact NZ-OE1 3.05Å; K4-E12 IonicContact NZ-OE2 2.87Å; K4-E12 PolarHBondContact NZ-OE2 3.36Å; E8-E12 WeakPolarHBondContact O-CG 3.42Å; E8-E12 PolarHBondContact O-N 2.83Å; Q9-E12 PolarHBondContact O-N 3.46Å; E10-E12 PolarHBondContact O-N 2.96Å; E12-Q15 PolarHBondContact O-N 3.17Å; E12-R16 WeakPolarHBondContact O-CG 3.42Å; E12-R16 PolarHBondContact O-N 3.01Å; E12-R16 VanDerWaalsContact O-N 3.07Å
13	S	83.9	Confident	80.8	Confident	13 Å²	13	89.9 Å²	89.9	9%	0.091	43%	0.432	C	S	.	.	H	α-helix	trans	-64.5	-46.6	176.4	-175.7	0	0	0	0	111.4	Q9 E10 Q15 R16 I17 E157	Q9-S13 PolarHBondContact O-N 2.92Å; E10-S13 PolarHBondContact O-N 2.97Å; S13-Q15 VanDerWaalsContact C-N 3.33Å; S13-Q15 PolarHBondContact O-N 2.69Å; S13-R16 PolarHBondContact O-N 2.92Å; S13-I17 WeakPolarHBondContact O-CG1 3.45Å; S13-I17 PolarHBondContact O-N 3.37Å; S13-E157 WeakPolarHBondContact CB-OE2 3.5Å; S13-E157 PolarHBondContact OG-OE2 3.11Å
14	E	86.1	Confident	82.3	Confident	98 Å²	98	85.2 Å²	85.2	46%	0.458	40%	0.398	S	S	.	.	H	α-helix	trans	-59.5	-42.2	176	-76.9	-172	-166	0	0	112.8	E10 R11 I17 K18	E10-E14 WeakPolarHBondContact O-CG 3.46Å; E10-E14 PolarHBondContact O-N 3Å; R11-E14 PolarHBondContact O-N 3.49Å; E14-I17 PolarHBondContact O-N 3.32Å; E14-K18 WeakPolarHBondContact O-CB 3.34Å; E14-K18 VanDerWaalsContact O-CG 3.26Å; E14-K18 WeakPolarHBondContact O-CG 3.49Å; E14-K18 PolarHBondContact O-N 3.38Å; E14-K18 IonicContact OE2-NZ 2.73Å; E14-K18 PolarHBondContact OE2-NZ 2.96Å; E14-K18 VanDerWaalsContact OE2-NZ 3.11Å
15	Q	88.7	Confident	83.6	Confident	120 Å²	120	82.6 Å²	82.6	56%	0.561	39%	0.393	S	S	*	.	H	α-helix	trans	-64.3	-41.6	178.2	-75.8	177.9	4.3	0	0	111.5	R11 E12 S13 K18 L19	R11-Q15 WeakPolarHBondContact O-CB 3.3Å; R11-Q15 VanDerWaalsContact O-CG 3.28Å; R11-Q15 WeakPolarHBondContact O-CG 3.46Å; R11-Q15 PolarHBondContact O-N 2.95Å; E12-Q15 PolarHBondContact O-N 3.17Å; S13-Q15 VanDerWaalsContact C-N 3.33Å; S13-Q15 PolarHBondContact O-N 2.69Å; Q15-K18 PolarHBondContact O-N 3.04Å; Q15-L19 WeakPolarHBondContact O-CB 3.49Å; Q15-L19 PolarHBondContact O-N 3.43Å
16	R	85.6	Confident	84.5	Confident	102 Å²	102	82.6 Å²	82.6	39%	0.385	39%	0.39	S	S	.	.	H	α-helix	trans	-60.8	-46	174.6	-76	-168.9	-72.4	-101.2	0.3	111.7	E12 S13 L19 L20 E157	E12-R16 WeakPolarHBondContact O-CG 3.42Å; E12-R16 PolarHBondContact O-N 3.01Å; E12-R16 VanDerWaalsContact O-N 3.07Å; S13-R16 PolarHBondContact O-N 2.92Å; R16-L19 PolarHBondContact O-N 3.17Å; R16-L20 WeakPolarHBondContact O-CB 3.4Å; R16-L20 PolarHBondContact O-N 3.14Å; R16-E157 IonicContact NE-OE1 3.52Å
17	I	89	Confident	85.1	Confident	28 Å²	28	81.8 Å²	81.8	14%	0.144	39%	0.39	C	S	.	.	H	α-helix	trans	-62	-45.1	177.6	-69.7	161.7	0	0	0	110.9	S13 E14 L19 L20 Q21 Y154	S13-I17 WeakPolarHBondContact O-CG1 3.45Å; S13-I17 PolarHBondContact O-N 3.37Å; E14-I17 PolarHBondContact O-N 3.32Å; I17-L19 PolarHBondContact O-N 2.78Å; I17-L20 PolarHBondContact O-N 3.12Å; I17-Q21 HydrophobicContact CG2-CG 4.38Å; I17-Q21 WeakPolarHBondContact O-CB 3.42Å; I17-Q21 VanDerWaalsContact O-CG 3.31Å; I17-Q21 WeakPolarHBondContact O-CG 3.4Å; I17-Q21 PolarHBondContact O-N 3.02Å; I17-Y154 HydrophobicContact CD1-CD1 4.13Å; I17-Y154 HydrophobicContact CD1-CE1 3.89Å; I17-Y154 HydrophobicContact CG1-CD1 4.47Å; I17-Y154 HydrophobicContact CG1-CE1 4.11Å; I17-Y154 HydrophobicContact CG2-CE1 3.63Å
18	K	89.4	Confident	85.7	Confident	121 Å²	121	76.7 Å²	76.7	53%	0.526	37%	0.368	S	S	.	.	H	α-helix	trans	-62.5	-42	178.8	-75.7	167.4	-178.2	158.9	0	112.2	E14 Q15 Q21 K22	E14-K18 WeakPolarHBondContact O-CB 3.34Å; E14-K18 VanDerWaalsContact O-CG 3.26Å; E14-K18 WeakPolarHBondContact O-CG 3.49Å; E14-K18 PolarHBondContact O-N 3.38Å; E14-K18 IonicContact OE2-NZ 2.73Å; E14-K18 PolarHBondContact OE2-NZ 2.96Å; E14-K18 VanDerWaalsContact OE2-NZ 3.11Å; Q15-K18 PolarHBondContact O-N 3.04Å; K18-Q21 PolarHBondContact O-N 3.39Å; K18-K22 PolarHBondContact O-N 3.32Å
19	L	90.4	Very high	86.1	Confident	105 Å²	105	76.1 Å²	76.1	55%	0.55	37%	0.369	S	S	.	.	H	α-helix	trans	-61.6	-49.2	174.5	-98.2	151.4	0	0	0	111.4	Q15 R16 I17 Q21 K22 D23	Q15-L19 WeakPolarHBondContact O-CB 3.49Å; Q15-L19 PolarHBondContact O-N 3.43Å; R16-L19 PolarHBondContact O-N 3.17Å; I17-L19 PolarHBondContact O-N 2.78Å; L19-Q21 PolarHBondContact O-N 2.83Å; L19-K22 WeakPolarHBondContact O-CB 3.41Å; L19-K22 PolarHBondContact O-N 2.96Å; L19-K22 VanDerWaalsContact O-N 3.14Å; L19-D23 PolarHBondContact O-N 2.81Å
20	L	87.8	Confident	86.9	Confident	64 Å²	64	78.4 Å²	78.4	34%	0.335	38%	0.383	S	S	.	.	H	α-helix	trans	-61.8	-40.6	178	-83.4	158	0	0	0	112.8	R16 I17 K22 D23 L24 V153	R16-L20 WeakPolarHBondContact O-CB 3.4Å; R16-L20 PolarHBondContact O-N 3.14Å; I17-L20 PolarHBondContact O-N 3.12Å; L20-K22 VanDerWaalsContact C-N 3.32Å; L20-K22 PolarHBondContact O-N 2.94Å; L20-D23 PolarHBondContact O-N 2.98Å; L20-L24 WeakPolarHBondContact O-CB 3.44Å; L20-L24 WeakPolarHBondContact O-CD1 3.27Å; L20-L24 VanDerWaalsContact O-CG 3.28Å; L20-L24 WeakPolarHBondContact O-CG 3.36Å; L20-L24 PolarHBondContact O-N 3.03Å; L20-V153 HydrophobicContact CD1-CG1 3.86Å; L20-V153 HydrophobicContact CD1-CG2 4.12Å
21	Q	88.6	Confident	87.1	Confident	82 Å²	82	73.6 Å²	73.6	38%	0.383	36%	0.362	S	S	.	.	H	α-helix	trans	-59.2	-45.1	173.6	-78.6	177.6	-2.3	0	0	111.4	I17 K18 L19 S25 M150 Y154	I17-Q21 HydrophobicContact CG2-CG 4.38Å; I17-Q21 WeakPolarHBondContact O-CB 3.42Å; I17-Q21 VanDerWaalsContact O-CG 3.31Å; I17-Q21 WeakPolarHBondContact O-CG 3.4Å; I17-Q21 PolarHBondContact O-N 3.02Å; K18-Q21 PolarHBondContact O-N 3.39Å; L19-Q21 PolarHBondContact O-N 2.83Å; Q21-S25 VanDerWaalsContact O-CB 3.26Å; Q21-S25 WeakPolarHBondContact O-CB 3.28Å; Q21-S25 PolarHBondContact O-N 3.29Å; Q21-S25 PolarHBondContact O-OG 2.94Å; Q21-M150 HydrophobicContact CB-CE 4.19Å; Q21-M150 HydrophobicContact CG-CE 3.43Å; Q21-M150 VanDerWaalsContact CG-CE 3.43Å; Q21-M150 HydrophobicContact CG-SD 4.04Å; Q21-Y154 PolarHBondContact NE2-OH 2.65Å
22	K	88.9	Confident	87.2	Confident	141 Å²	141	72.9 Å²	72.9	61%	0.613	36%	0.364	S	S	*	.	H	α-helix	trans	-61.2	-53.4	177.5	-171	-179.4	178.2	-177.6	0	110.5	K18 L19 L20 L24 S25 T26	K18-K22 PolarHBondContact O-N 3.32Å; L19-K22 WeakPolarHBondContact O-CB 3.41Å; L19-K22 PolarHBondContact O-N 2.96Å; L19-K22 VanDerWaalsContact O-N 3.14Å; L20-K22 VanDerWaalsContact C-N 3.32Å; L20-K22 PolarHBondContact O-N 2.94Å; K22-L24 PolarHBondContact O-N 3.46Å; K22-S25 PolarHBondContact O-N 2.95Å; K22-S25 PolarHBondContact O-OG 3.48Å; K22-T26 WeakPolarHBondContact O-CG2 3.19Å; K22-T26 PolarHBondContact O-N 3.32Å
23	D	87.2	Confident	87.5	Confident	85 Å²	85	75.2 Å²	75.2	46%	0.455	38%	0.377	S	S	.	.	H	α-helix	trans	-60	-44.9	-177.3	-67.9	-13.1	0	0	0	111.9	L19 L20 S25 T26 I27	L19-D23 PolarHBondContact O-N 2.81Å; L20-D23 PolarHBondContact O-N 2.98Å; D23-S25 PolarHBondContact O-N 3.45Å; D23-T26 PolarHBondContact O-N 3.05Å; D23-T26 PolarHBondContact O-OG1 3.33Å; D23-I27 PolarHBondContact O-N 3.33Å
24	L	85.7	Confident	87.7	Confident	21 Å²	21	77.6 Å²	77.6	11%	0.11	40%	0.397	C	S	.	.	H	α-helix	trans	-66.3	-38.8	177.3	-70.4	167.1	0	0	0	112.5	L20 K22 T26 I27 Q146 L149 M150	L20-L24 WeakPolarHBondContact O-CB 3.44Å; L20-L24 WeakPolarHBondContact O-CD1 3.27Å; L20-L24 VanDerWaalsContact O-CG 3.28Å; L20-L24 WeakPolarHBondContact O-CG 3.36Å; L20-L24 PolarHBondContact O-N 3.03Å; K22-L24 PolarHBondContact O-N 3.46Å; L24-T26 VanDerWaalsContact C-N 3.28Å; L24-T26 PolarHBondContact O-N 3.02Å; L24-I27 HydrophobicContact CD2-CD1 4.5Å; L24-I27 PolarHBondContact O-N 2.89Å; L24-Q146 HydrophobicContact CB-CG 3.88Å; L24-Q146 HydrophobicContact CD1-CG 4.39Å; L24-L149 HydrophobicContact CD1-CB 4.41Å; L24-L149 HydrophobicContact CD2-CD1 4.04Å; L24-M150 HydrophobicContact CD1-CE 3.64Å
25	S	88	Confident	87.5	Confident	51 Å²	51	74.6 Å²	74.6	36%	0.357	39%	0.386	S	S	.	.	H	α-helix	trans	-63.2	-36.3	174.6	73.1	0	0	0	0	112	Q21 K22 D23 I27 V28 T29	Q21-S25 VanDerWaalsContact O-CB 3.26Å; Q21-S25 WeakPolarHBondContact O-CB 3.28Å; Q21-S25 PolarHBondContact O-N 3.29Å; Q21-S25 PolarHBondContact O-OG 2.94Å; K22-S25 PolarHBondContact O-N 2.95Å; K22-S25 PolarHBondContact O-OG 3.48Å; D23-S25 PolarHBondContact O-N 3.45Å; S25-I27 VanDerWaalsContact C-N 3.26Å; S25-I27 PolarHBondContact O-N 3.36Å; S25-V28 PolarHBondContact O-N 3.17Å; S25-T29 PolarHBondContact O-N 3.09Å; S25-T29 PolarHBondContact O-OG1 2.97Å
26	T	88.6	Confident	87.5	Confident	55 Å²	55	73.2 Å²	73.2	34%	0.337	38%	0.383	S	S	.	.	H	α-helix	trans	-61.9	-36.9	179.1	69.6	0	0	0	0	112.1	K22 D23 L24 T29 N30	K22-T26 WeakPolarHBondContact O-CG2 3.19Å; K22-T26 PolarHBondContact O-N 3.32Å; D23-T26 PolarHBondContact O-N 3.05Å; D23-T26 PolarHBondContact O-OG1 3.33Å; L24-T26 VanDerWaalsContact C-N 3.28Å; L24-T26 PolarHBondContact O-N 3.02Å; T26-T29 WeakPolarHBondContact CA-OG1 3.49Å; T26-T29 PolarHBondContact O-N 3.46Å; T26-T29 PolarHBondContact O-OG1 3.34Å; T26-N30 WeakPolarHBondContact O-CB 3.35Å; T26-N30 PolarHBondContact O-N 3.01Å; T26-N30 PolarHBondContact O-ND2 3.25Å; T26-N30 PolarHBondContact O-OD1 2.68Å
27	I	83.9	Confident	87.7	Confident	85 Å²	85	71.4 Å²	71.4	44%	0.436	39%	0.39	S	S	.	.	H	α-helix	trans	-62.4	-48.1	179.5	-64.4	169	0	0	0	109.9	D23 L24 S25 N30 T31	D23-I27 PolarHBondContact O-N 3.33Å; L24-I27 HydrophobicContact CD2-CD1 4.5Å; L24-I27 PolarHBondContact O-N 2.89Å; S25-I27 VanDerWaalsContact C-N 3.26Å; S25-I27 PolarHBondContact O-N 3.36Å; I27-N30 PolarHBondContact O-N 3.11Å; I27-T31 VanDerWaalsContact O-CG2 3.31Å; I27-T31 WeakPolarHBondContact O-CG2 3.31Å; I27-T31 PolarHBondContact O-N 3.41Å
28	V	86.9	Confident	87.6	Confident	22 Å²	22	72.7 Å²	72.7	13%	0.133	40%	0.395	C	S	.	.	H	α-helix	trans	-66.1	-42.2	178.5	176.4	0	0	0	0	111.6	S25 N30 T31 Q32 M143	S25-V28 PolarHBondContact O-N 3.17Å; V28-N30 VanDerWaalsContact C-N 3.29Å; V28-N30 PolarHBondContact O-N 2.92Å; V28-T31 PolarHBondContact O-N 3.2Å; V28-T31 PolarHBondContact O-OG1 3.02Å; V28-Q32 PolarHBondContact O-N 3.19Å; V28-M143 HydrophobicContact CG1-CG 4.24Å; V28-M143 HydrophobicContact CG2-CG 4.07Å
29	T	88.8	Confident	87.3	Confident	65 Å²	65	70 Å²	70	40%	0.399	39%	0.385	S	S	.	.	H	α-helix	trans	-63.1	-35.9	176.3	43.9	0	0	0	0	112.6	S25 T26 T31 Q32 I33	S25-T29 PolarHBondContact O-N 3.09Å; S25-T29 PolarHBondContact O-OG1 2.97Å; T26-T29 WeakPolarHBondContact CA-OG1 3.49Å; T26-T29 PolarHBondContact O-N 3.46Å; T26-T29 PolarHBondContact O-OG1 3.34Å; T29-T31 VanDerWaalsContact C-N 3.3Å; T29-T31 PolarHBondContact O-N 2.87Å; T29-Q32 PolarHBondContact O-N 3.05Å; T29-I33 VanDerWaalsContact O-CG1 3.26Å; T29-I33 WeakPolarHBondContact O-CG1 3.47Å; T29-I33 PolarHBondContact O-N 3.43Å
30	N	88.8	Confident	87.4	Confident	100 Å²	100	69 Å²	69	54%	0.535	38%	0.383	S	S	.	.	H	α-helix	trans	-64.6	-35.1	178.1	-73.4	-18.1	0	0	0	112.1	T26 I27 V28 A34	T26-N30 WeakPolarHBondContact O-CB 3.35Å; T26-N30 PolarHBondContact O-N 3.01Å; T26-N30 PolarHBondContact O-ND2 3.25Å; T26-N30 PolarHBondContact O-OD1 2.68Å; I27-N30 PolarHBondContact O-N 3.11Å; V28-N30 VanDerWaalsContact C-N 3.29Å; V28-N30 PolarHBondContact O-N 2.92Å; N30-A34 PolarHBondContact O-N 3.02Å
31	T	84.9	Confident	87.5	Confident	15 Å²	15	71 Å²	71	9%	0.092	39%	0.393	C	S	.	.	H	α-helix	trans	-69.2	-41.6	176.2	72.9	0	0	0	0	111.3	I27 V28 T29 A34 C35 M139	I27-T31 VanDerWaalsContact O-CG2 3.31Å; I27-T31 WeakPolarHBondContact O-CG2 3.31Å; I27-T31 PolarHBondContact O-N 3.41Å; V28-T31 PolarHBondContact O-N 3.2Å; V28-T31 PolarHBondContact O-OG1 3.02Å; T29-T31 VanDerWaalsContact C-N 3.3Å; T29-T31 PolarHBondContact O-N 2.87Å; T31-A34 PolarHBondContact O-N 3.44Å; T31-C35 PolarHBondContact O-N 2.94Å; T31-C35 PolarHBondContact O-SG 2.88Å; T31-C35 VanDerWaalsContact O-SG 3.42Å; T31-M139 WeakPolarHBondContact OG1-CE 3.36Å
32	Q	86.3	Confident	87.4	Confident	100 Å²	100	70 Å²	70	47%	0.467	39%	0.388	S	S	.	.	H	α-helix	trans	-63.5	-45.8	178.9	-169.5	169.2	1.1	0	0	111.6	V28 T29 A34 C35 D36 M139	V28-Q32 PolarHBondContact O-N 3.19Å; T29-Q32 PolarHBondContact O-N 3.05Å; Q32-A34 VanDerWaalsContact C-N 3.29Å; Q32-A34 PolarHBondContact O-N 3.38Å; Q32-C35 WeakPolarHBondContact O-CB 3.32Å; Q32-C35 PolarHBondContact O-N 3.5Å; Q32-C35 VanDerWaalsContact O-N 3.17Å; Q32-D36 PolarHBondContact O-N 3.35Å; Q32-M139 HydrophobicContact CB-CE 4.19Å
33	I	89.8	Confident	87.3	Confident	107 Å²	107	71.2 Å²	71.2	55%	0.549	39%	0.389	S	S	.	.	H	α-helix	trans	-58.6	-41.6	175.7	-67.1	164.4	0	0	0	111.2	T29 D36 A37	T29-I33 VanDerWaalsContact O-CG1 3.26Å; T29-I33 WeakPolarHBondContact O-CG1 3.47Å; T29-I33 PolarHBondContact O-N 3.43Å; I33-D36 PolarHBondContact O-N 3.11Å; I33-A37 WeakPolarHBondContact O-CB 3.45Å; I33-A37 PolarHBondContact O-N 3.48Å
34	A	87.7	Confident	87.5	Confident	62 Å²	62	70.4 Å²	70.4	51%	0.512	39%	0.387	S	S	.	.	H	α-helix	trans	-65.2	-41.4	177.5	0	0	0	0	0	112.3	N30 T31 Q32 K38	N30-A34 PolarHBondContact O-N 3.02Å; T31-A34 PolarHBondContact O-N 3.44Å; Q32-A34 VanDerWaalsContact C-N 3.29Å; Q32-A34 PolarHBondContact O-N 3.38Å; A34-K38 PolarHBondContact O-N 3.2Å; A34-K38 VanDerWaalsContact O-N 3.12Å
35	C	83.5	Confident	87.6	Confident	35 Å²	35	74.1 Å²	74.1	24%	0.236	41%	0.407	C	S	.	.	H	α-helix	trans	-62.3	-44.1	174	-72.7	0	0	0	0	111.7	T31 Q32 K38 M39	T31-C35 PolarHBondContact O-N 2.94Å; T31-C35 PolarHBondContact O-SG 2.88Å; T31-C35 VanDerWaalsContact O-SG 3.42Å; Q32-C35 WeakPolarHBondContact O-CB 3.32Å; Q32-C35 PolarHBondContact O-N 3.5Å; Q32-C35 VanDerWaalsContact O-N 3.17Å; C35-K38 WeakPolarHBondContact O-CB 3.4Å; C35-K38 PolarHBondContact O-N 3.36Å; C35-M39 WeakPolarHBondContact O-CG 3.47Å; C35-M39 PolarHBondContact O-N 3.21Å
36	D	87.6	Confident	87.5	Confident	92 Å²	92	78.5 Å²	78.5	49%	0.492	42%	0.415	S	S	.	.	H	α-helix	trans	-63.1	-44.5	178.8	-72.6	-22	0	0	0	111.7	Q32 I33 K38 M39 V40	Q32-D36 PolarHBondContact O-N 3.35Å; I33-D36 PolarHBondContact O-N 3.11Å; D36-K38 VanDerWaalsContact C-N 3.31Å; D36-K38 PolarHBondContact O-N 2.91Å; D36-M39 PolarHBondContact O-N 3Å; D36-V40 WeakPolarHBondContact O-CG2 3.49Å; D36-V40 PolarHBondContact O-N 2.95Å
37	A	90.2	Very high	87.5	Confident	64 Å²	64	77.4 Å²	77.4	53%	0.529	42%	0.415	S	S	.	.	H	α-helix	trans	-59	-42.2	175.8	0	0	0	0	0	112	I33 V40 L41	I33-A37 WeakPolarHBondContact O-CB 3.45Å; I33-A37 PolarHBondContact O-N 3.48Å; A37-V40 PolarHBondContact O-N 3.15Å; A37-L41 PolarHBondContact O-N 3.01Å; A37-L41 VanDerWaalsContact O-N 3.08Å
38	K	87.1	Confident	87.8	Confident	55 Å²	55	80 Å²	80	24%	0.239	42%	0.423	C	S	.	.	H	α-helix	trans	-64.9	-42.2	176.1	-178.7	-170.5	164.9	-159.4	0	112	A34 C35 D36 V40 L41 Q42 E135	A34-K38 PolarHBondContact O-N 3.2Å; A34-K38 VanDerWaalsContact O-N 3.12Å; C35-K38 WeakPolarHBondContact O-CB 3.4Å; C35-K38 PolarHBondContact O-N 3.36Å; D36-K38 VanDerWaalsContact C-N 3.31Å; D36-K38 PolarHBondContact O-N 2.91Å; K38-V40 VanDerWaalsContact C-N 3.35Å; K38-V40 PolarHBondContact O-N 2.93Å; K38-L41 WeakPolarHBondContact O-CB 3.26Å; K38-L41 PolarHBondContact O-N 3.44Å; K38-Q42 PolarHBondContact O-N 3.05Å; K38-E135 IonicContact NZ-OE1 3.79Å; K38-E135 PolarHBondContact NZ-OE1 2.93Å; K38-E135 IonicContact NZ-OE2 2.89Å; K38-E135 PolarHBondContact NZ-OE2 3.35Å
39	M	83.2	Confident	87.9	Confident	65 Å²	65	81 Å²	81	32%	0.32	43%	0.433	S	S	.	.	H	α-helix	trans	-62.7	-41.3	177.6	-77.3	-68	-72	0	0	111.9	C35 D36 Q42 R43	C35-M39 WeakPolarHBondContact O-CG 3.47Å; C35-M39 PolarHBondContact O-N 3.21Å; D36-M39 PolarHBondContact O-N 3Å; M39-Q42 PolarHBondContact O-N 2.94Å; M39-R43 WeakPolarHBondContact O-CG 3.46Å; M39-R43 PolarHBondContact O-N 3.24Å
40	V	91.3	Very high	87.8	Confident	83 Å²	83	83.3 Å²	83.3	50%	0.503	44%	0.44	S	S	.	.	H	α-helix	trans	-60	-47.9	173.4	172.2	0	0	0	0	110.3	D36 A37 K38 Q42 R43 T44	D36-V40 WeakPolarHBondContact O-CG2 3.49Å; D36-V40 PolarHBondContact O-N 2.95Å; A37-V40 PolarHBondContact O-N 3.15Å; K38-V40 VanDerWaalsContact C-N 3.35Å; K38-V40 PolarHBondContact O-N 2.93Å; V40-Q42 VanDerWaalsContact C-N 3.35Å; V40-Q42 PolarHBondContact O-N 3.2Å; V40-R43 PolarHBondContact O-N 2.84Å; V40-T44 WeakPolarHBondContact O-CG2 3.39Å; V40-T44 PolarHBondContact O-N 2.67Å
41	L	90.3	Very high	88	Confident	105 Å²	105	81.5 Å²	81.5	55%	0.55	44%	0.439	S	S	.	.	H	α-helix	trans	-57.4	-46.1	177.6	-174.6	68.7	0	0	0	111.8	A37 K38 R43 T44 L45	A37-L41 PolarHBondContact O-N 3.01Å; A37-L41 VanDerWaalsContact O-N 3.08Å; K38-L41 WeakPolarHBondContact O-CB 3.26Å; K38-L41 PolarHBondContact O-N 3.44Å; L41-R43 PolarHBondContact O-N 3.49Å; L41-T44 PolarHBondContact O-N 3.38Å; L41-T44 PolarHBondContact O-OG1 2.95Å; L41-L45 HydrophobicContact CG-CD1 4.43Å; L41-L45 WeakPolarHBondContact O-CG 3.33Å; L41-L45 PolarHBondContact O-N 3.27Å; L41-L45 VanDerWaalsContact O-N 3.07Å
42	Q	86.2	Confident	88.2	Confident	62 Å²	62	88.5 Å²	88.5	29%	0.29	47%	0.468	S	S	.	.	H	α-helix	trans	-61.3	-42.3	177.6	-74.7	-175.7	-4.8	0	0	112.8	K38 M39 V40 T44 L45 R46	K38-Q42 PolarHBondContact O-N 3.05Å; M39-Q42 PolarHBondContact O-N 2.94Å; V40-Q42 VanDerWaalsContact C-N 3.35Å; V40-Q42 PolarHBondContact O-N 3.2Å; Q42-T44 VanDerWaalsContact C-N 3.33Å; Q42-T44 PolarHBondContact O-N 3.41Å; Q42-L45 PolarHBondContact O-N 2.75Å; Q42-R46 WeakPolarHBondContact O-CB 3.48Å; Q42-R46 PolarHBondContact O-N 3.19Å
43	R	87.4	Confident	88.4	Confident	167 Å²	167	87.3 Å²	87.3	63%	0.63	46%	0.459	S	S	*	.	H	α-helix	trans	-60.2	-42.4	175.7	-73.2	174.1	-179.4	149.8	0.6	111.6	M39 V40 L41 R46 G47	M39-R43 WeakPolarHBondContact O-CG 3.46Å; M39-R43 PolarHBondContact O-N 3.24Å; V40-R43 PolarHBondContact O-N 2.84Å; L41-R43 PolarHBondContact O-N 3.49Å; R43-R46 PolarHBondContact O-N 2.94Å; R43-G47 PolarHBondContact O-N 2.93Å
44	T	91.1	Very high	88.5	Confident	67 Å²	67	84.9 Å²	84.9	41%	0.411	46%	0.455	S	S	.	.	H	α-helix	trans	-64.7	-40.9	177.9	66.1	0	0	0	0	112.4	V40 L41 Q42 G47 K48	V40-T44 WeakPolarHBondContact O-CG2 3.39Å; V40-T44 PolarHBondContact O-N 2.67Å; L41-T44 PolarHBondContact O-N 3.38Å; L41-T44 PolarHBondContact O-OG1 2.95Å; Q42-T44 VanDerWaalsContact C-N 3.33Å; Q42-T44 PolarHBondContact O-N 3.41Å; T44-G47 PolarHBondContact O-N 3.46Å; T44-K48 WeakPolarHBondContact O-CG 3.39Å; T44-K48 PolarHBondContact O-N 3.35Å
45	L	87.9	Confident	88.7	Confident	100 Å²	100	84 Å²	84	52%	0.524	45%	0.448	S	S	.	.	H	α-helix	trans	-66.3	-40.6	176.7	-68.7	174.6	0	0	0	111.7	L41 Q42 K48 A49	L41-L45 HydrophobicContact CG-CD1 4.43Å; L41-L45 WeakPolarHBondContact O-CG 3.33Å; L41-L45 PolarHBondContact O-N 3.27Å; L41-L45 VanDerWaalsContact O-N 3.07Å; Q42-L45 PolarHBondContact O-N 2.75Å; L45-K48 PolarHBondContact O-N 3.01Å; L45-A49 PolarHBondContact O-N 3.42Å
46	R	85.6	Confident	89.1	Confident	142 Å²	142	84.8 Å²	84.8	54%	0.536	45%	0.449	S	S	.	.	H	α-helix	trans	-62.6	-42.9	175.4	-164.1	178.3	-163.1	178.6	5.1	111.6	Q42 R43 K48 A49 Q50	Q42-R46 WeakPolarHBondContact O-CB 3.48Å; Q42-R46 PolarHBondContact O-N 3.19Å; R43-R46 PolarHBondContact O-N 2.94Å; R46-K48 PolarHBondContact O-N 2.93Å; R46-A49 PolarHBondContact O-N 3.3Å; R46-Q50 WeakPolarHBondContact O-CG 3.31Å; R46-Q50 PolarHBondContact O-N 2.96Å
47	G	88.8	Confident	89.3	Confident	32 Å²	32	84.3 Å²	84.3	33%	0.33	45%	0.446	S	S	.	.	H	α-helix	trans	-59.6	-43.8	174.4	0	0	0	0	0	112.5	R43 T44 A49 Q50 A51	R43-G47 PolarHBondContact O-N 2.93Å; T44-G47 PolarHBondContact O-N 3.46Å; G47-A49 VanDerWaalsContact C-N 3.34Å; G47-A49 PolarHBondContact O-N 3.06Å; G47-Q50 PolarHBondContact O-N 2.61Å; G47-A51 WeakPolarHBondContact O-CB 3.3Å; G47-A51 PolarHBondContact O-N 2.67Å
48	K	90.9	Very high	89.4	Confident	139 Å²	139	87.1 Å²	87.1	60%	0.604	45%	0.448	S	S	*	.	H	α-helix	trans	-60.9	-40.2	174.3	-71.7	177.3	-179.4	179.3	0	112.5	T44 L45 R46 K52	T44-K48 WeakPolarHBondContact O-CG 3.39Å; T44-K48 PolarHBondContact O-N 3.35Å; L45-K48 PolarHBondContact O-N 3.01Å; R46-K48 PolarHBondContact O-N 2.93Å; K48-K52 WeakPolarHBondContact O-CG 3.46Å; K48-K52 PolarHBondContact O-N 2.97Å; K48-K52 VanDerWaalsContact O-N 3.14Å
49	A	87.6	Confident	89.7	Confident	43 Å²	43	89.5 Å²	89.5	36%	0.355	46%	0.463	S	S	.	.	H	α-helix	trans	-69	-40.2	177.8	0	0	0	0	0	112.4	L45 R46 G47 K52 R53	L45-A49 PolarHBondContact O-N 3.42Å; R46-A49 PolarHBondContact O-N 3.3Å; G47-A49 VanDerWaalsContact C-N 3.34Å; G47-A49 PolarHBondContact O-N 3.06Å; A49-K52 PolarHBondContact O-N 2.87Å; A49-R53 PolarHBondContact O-N 3.34Å; A49-R53 VanDerWaalsContact O-N 3.12Å
50	Q	88.6	Confident	90	Very high	115 Å²	115	87.7 Å²	87.7	54%	0.537	46%	0.455	S	S	.	.	H	α-helix	trans	-61.8	-44.7	174	-75.9	175.3	-29.1	0	0	111.6	R46 G47 K52 R53 A54	R46-Q50 WeakPolarHBondContact O-CG 3.31Å; R46-Q50 PolarHBondContact O-N 2.96Å; G47-Q50 PolarHBondContact O-N 2.61Å; Q50-K52 VanDerWaalsContact C-N 3.33Å; Q50-K52 PolarHBondContact O-N 3.39Å; Q50-R53 PolarHBondContact O-N 2.85Å; Q50-A54 PolarHBondContact O-N 2.9Å
51	A	92.3	Very high	90	Very high	61 Å²	61	89.4 Å²	89.4	50%	0.504	46%	0.461	S	S	.	.	H	α-helix	trans	-59.9	-41.3	176.4	0	0	0	0	0	112.4	G47 A54 A55	G47-A51 WeakPolarHBondContact O-CB 3.3Å; G47-A51 PolarHBondContact O-N 2.67Å; A51-A54 PolarHBondContact O-N 3.41Å; A51-A55 PolarHBondContact O-N 3.42Å
52	K	89.8	Confident	90.1	Very high	162 Å²	162	88.3 Å²	88.3	70%	0.704	46%	0.455	S	S	*	.	H	α-helix	trans	-61.9	-43.3	175	-74.3	-178.1	179.3	-170.6	0	112.8	K48 A49 Q50 A55 M56	K48-K52 WeakPolarHBondContact O-CG 3.46Å; K48-K52 PolarHBondContact O-N 2.97Å; K48-K52 VanDerWaalsContact O-N 3.14Å; A49-K52 PolarHBondContact O-N 2.87Å; Q50-K52 VanDerWaalsContact C-N 3.33Å; Q50-K52 PolarHBondContact O-N 3.39Å; K52-A55 PolarHBondContact O-N 3.2Å; K52-M56 PolarHBondContact O-N 2.88Å; K52-M56 VanDerWaalsContact O-N 3.08Å
53	R	89.5	Confident	90.3	Very high	75 Å²	75	86.9 Å²	86.9	28%	0.283	45%	0.451	S	S	.	.	H	α-helix	trans	-65.3	-41.3	177.5	-69.8	178.5	-172.7	165.7	1.1	111.7	A49 Q50 M56 L57 A117	A49-R53 PolarHBondContact O-N 3.34Å; A49-R53 VanDerWaalsContact O-N 3.12Å; Q50-R53 PolarHBondContact O-N 2.85Å; R53-M56 PolarHBondContact O-N 3.02Å; R53-L57 WeakPolarHBondContact O-CG 3.45Å; R53-L57 PolarHBondContact O-N 3.4Å; R53-L57 VanDerWaalsContact O-N 3.07Å; R53-A117 PolarHBondContact NH2-O 3.43Å; R53-A117 VanDerWaalsContact NH2-O 3.07Å
54	A	91.3	Very high	90.3	Very high	57 Å²	57	79.7 Å²	79.7	47%	0.471	43%	0.426	S	S	.	.	H	α-helix	trans	-60.6	-47.8	176.2	0	0	0	0	0	111.7	Q50 A51 M56 L57 E58	Q50-A54 PolarHBondContact O-N 2.9Å; A51-A54 PolarHBondContact O-N 3.41Å; A54-M56 VanDerWaalsContact C-N 3.31Å; A54-M56 PolarHBondContact O-N 3.48Å; A54-L57 PolarHBondContact O-N 3.08Å; A54-E58 WeakPolarHBondContact O-CB 3.42Å; A54-E58 PolarHBondContact O-N 3.49Å
55	A	93.5	Very high	90.3	Very high	43 Å²	43	81.2 Å²	81.2	36%	0.355	43%	0.429	S	S	.	.	H	α-helix	trans	-61.7	-37.5	177.5	0	0	0	0	0	112.9	A51 K52 E58 N59	A51-A55 PolarHBondContact O-N 3.42Å; K52-A55 PolarHBondContact O-N 3.2Å; A55-E58 PolarHBondContact O-N 3.48Å; A55-N59 WeakPolarHBondContact O-CB 3.35Å; A55-N59 VanDerWaalsContact O-CG 3.23Å; A55-N59 PolarHBondContact O-N 3.18Å; A55-N59 PolarHBondContact O-ND2 3.03Å
56	M	91.1	Very high	90.4	Very high	52 Å²	52	82.3 Å²	82.3	26%	0.256	43%	0.431	S	S	.	.	H	α-helix	trans	-64.7	-43.8	176.2	-177.9	-175.2	167.4	0	0	112.3	K52 R53 A54 N59 D60 I110 E113	K52-M56 PolarHBondContact O-N 2.88Å; K52-M56 VanDerWaalsContact O-N 3.08Å; R53-M56 PolarHBondContact O-N 3.02Å; A54-M56 VanDerWaalsContact C-N 3.31Å; A54-M56 PolarHBondContact O-N 3.48Å; M56-N59 PolarHBondContact O-N 2.96Å; M56-D60 PolarHBondContact O-N 3.07Å; M56-I110 HydrophobicContact CE-CB 4.02Å; M56-I110 HydrophobicContact CE-CG1 3.7Å; M56-I110 HydrophobicContact CE-CG2 3.87Å; M56-E113 HydrophobicContact CE-CB 3.99Å; M56-E113 HydrophobicContact CE-CG 4.43Å; M56-E113 WeakPolarHBondContact CE-OE2 3.28Å
57	L	90.9	Very high	90.5	Very high	82 Å²	82	78 Å²	78	43%	0.429	42%	0.417	S	S	.	.	H	α-helix	trans	-66.8	-38	176.7	-71.3	173.3	0	0	0	112.3	R53 A54 D60 L61 I110 L114	R53-L57 WeakPolarHBondContact O-CG 3.45Å; R53-L57 PolarHBondContact O-N 3.4Å; R53-L57 VanDerWaalsContact O-N 3.07Å; A54-L57 PolarHBondContact O-N 3.08Å; L57-D60 PolarHBondContact O-N 3.37Å; L57-L61 WeakPolarHBondContact O-CB 3.35Å; L57-L61 PolarHBondContact O-N 3.34Å; L57-I110 HydrophobicContact CD2-CG2 4.31Å; L57-L114 HydrophobicContact CD2-CD1 4.12Å
58	E	93.6	Very high	90.3	Very high	122 Å²	122	78.3 Å²	78.3	57%	0.57	41%	0.414	S	S	*	.	H	α-helix	trans	-63.6	-44.1	175.3	-173.5	174.3	-171.8	0	0	111.4	A54 A55 D60 L61 I62	A54-E58 WeakPolarHBondContact O-CB 3.42Å; A54-E58 PolarHBondContact O-N 3.49Å; A55-E58 PolarHBondContact O-N 3.48Å; E58-D60 PolarHBondContact O-N 3.41Å; E58-L61 WeakPolarHBondContact O-CB 3.16Å; E58-L61 PolarHBondContact O-N 3.39Å; E58-I62 HydrophobicContact CG-CD1 4.17Å; E58-I62 VanDerWaalsContact O-CG1 3.28Å; E58-I62 WeakPolarHBondContact O-CG1 3.37Å; E58-I62 PolarHBondContact O-N 2.89Å
59	N	92	Very high	90.2	Very high	106 Å²	106	74.3 Å²	74.3	57%	0.567	40%	0.399	S	S	*	.	H	α-helix	trans	-63.1	-39.2	175.3	-72	-28.3	0	0	0	112.6	A55 M56 I62 S63	A55-N59 WeakPolarHBondContact O-CB 3.35Å; A55-N59 VanDerWaalsContact O-CG 3.23Å; A55-N59 PolarHBondContact O-N 3.18Å; A55-N59 PolarHBondContact O-ND2 3.03Å; M56-N59 PolarHBondContact O-N 2.96Å; N59-I62 PolarHBondContact O-N 3.25Å; N59-S63 WeakPolarHBondContact O-CB 3.44Å; N59-S63 PolarHBondContact O-N 3.14Å
60	D	90.9	Very high	90.2	Very high	27 Å²	27	75 Å²	75	14%	0.144	40%	0.395	C	S	.	.	H	α-helix	trans	-63.7	-45.5	173.9	-179.2	54.3	0	0	0	111.6	M56 L57 E58 I62 S63 S64 I110	M56-D60 PolarHBondContact O-N 3.07Å; L57-D60 PolarHBondContact O-N 3.37Å; E58-D60 PolarHBondContact O-N 3.41Å; D60-I62 VanDerWaalsContact C-N 3.32Å; D60-I62 PolarHBondContact O-N 2.96Å; D60-S63 PolarHBondContact O-N 3.46Å; D60-S63 PolarHBondContact O-OG 3.31Å; D60-S64 WeakPolarHBondContact O-CB 3.47Å; D60-S64 PolarHBondContact O-N 2.91Å; D60-I110 HydrophobicContact CB-CD1 3.35Å; D60-I110 WeakPolarHBondContact OD1-CD1 3.38Å
61	L	90.6	Very high	90	Very high	119 Å²	119	69.8 Å²	69.8	62%	0.623	37%	0.37	S	S	*	.	H	α-helix	trans	-57	-47.6	177.2	-176.2	67.9	0	0	0	110.8	L57 E58 Q65	L57-L61 WeakPolarHBondContact O-CB 3.35Å; L57-L61 PolarHBondContact O-N 3.34Å; E58-L61 WeakPolarHBondContact O-CB 3.16Å; E58-L61 PolarHBondContact O-N 3.39Å; L61-Q65 WeakPolarHBondContact O-CB 3.42Å; L61-Q65 PolarHBondContact O-N 3.49Å
62	I	92.6	Very high	89.6	Confident	82 Å²	82	70.7 Å²	70.7	42%	0.421	37%	0.366	S	S	.	.	H	α-helix	trans	-60.4	-51.3	176.8	-65.8	164.1	0	0	0	110.3	E58 N59 D60 S64 Q65 E66	E58-I62 HydrophobicContact CG-CD1 4.17Å; E58-I62 VanDerWaalsContact O-CG1 3.28Å; E58-I62 WeakPolarHBondContact O-CG1 3.37Å; E58-I62 PolarHBondContact O-N 2.89Å; N59-I62 PolarHBondContact O-N 3.25Å; D60-I62 VanDerWaalsContact C-N 3.32Å; D60-I62 PolarHBondContact O-N 2.96Å; I62-S64 PolarHBondContact O-N 2.99Å; I62-Q65 PolarHBondContact O-N 2.93Å; I62-E66 WeakPolarHBondContact O-CG 3.49Å; I62-E66 PolarHBondContact O-N 2.95Å
63	S	89.9	Confident	89.3	Confident	32 Å²	32	68.9 Å²	68.9	22%	0.224	36%	0.355	C	S	.	.	H	α-helix	trans	-66.9	-35.4	-177.2	84.9	0	0	0	0	113.3	N59 D60 K67	N59-S63 WeakPolarHBondContact O-CB 3.44Å; N59-S63 PolarHBondContact O-N 3.14Å; D60-S63 PolarHBondContact O-N 3.46Å; D60-S63 PolarHBondContact O-OG 3.31Å; S63-K67 WeakPolarHBondContact O-CB 3.23Å; S63-K67 WeakPolarHBondContact O-CD 3.44Å; S63-K67 WeakPolarHBondContact O-CG 3.21Å; S63-K67 PolarHBondContact O-N 3.35Å; S63-K67 VanDerWaalsContact O-N 3.11Å
64	S	87.1	Confident	88.7	Confident	15 Å²	15	69.5 Å²	69.5	11%	0.105	36%	0.358	C	S	.	.	H	α-helix	trans	-70.7	-37.9	176.3	-179.5	0	0	0	0	110.5	D60 I62 S68	D60-S64 WeakPolarHBondContact O-CB 3.47Å; D60-S64 PolarHBondContact O-N 2.91Å; I62-S64 PolarHBondContact O-N 2.99Å; S64-S68 VanDerWaalsContact O-CB 3.31Å; S64-S68 WeakPolarHBondContact O-CB 3.46Å; S64-S68 PolarHBondContact O-N 3.02Å; S64-S68 PolarHBondContact O-OG 3.48Å
65	Q	90.9	Very high	87.8	Confident	100 Å²	100	70.6 Å²	70.6	47%	0.467	35%	0.353	S	S	.	.	H	α-helix	trans	-65.1	-48.8	175	-173.1	63.7	29.3	0	0	110.6	L61 I62 K67 S68 D69	L61-Q65 WeakPolarHBondContact O-CB 3.42Å; L61-Q65 PolarHBondContact O-N 3.49Å; I62-Q65 PolarHBondContact O-N 2.93Å; Q65-K67 VanDerWaalsContact C-N 3.33Å; Q65-K67 PolarHBondContact O-N 3.44Å; Q65-S68 WeakPolarHBondContact O-CB 3.46Å; Q65-S68 PolarHBondContact O-N 3.25Å; Q65-D69 PolarHBondContact NE2-OD1 3.16Å; Q65-D69 VanDerWaalsContact O-CG 3.3Å; Q65-D69 PolarHBondContact O-N 2.74Å
66	E	91.3	Very high	86.8	Confident	122 Å²	122	75.1 Å²	75.1	57%	0.57	37%	0.365	S	S	*	.	H	α-helix	trans	-57	-44.4	177.5	-73.7	175.1	171.3	0	0	112.5	I62 S68 E70	I62-E66 WeakPolarHBondContact O-CG 3.49Å; I62-E66 PolarHBondContact O-N 2.95Å; E66-S68 VanDerWaalsContact C-N 3.34Å; E66-E70 WeakPolarHBondContact O-CB 3.38Å; E66-E70 PolarHBondContact O-N 3.41Å
67	K	87.6	Confident	85.9	Confident	52 Å²	52	78 Å²	78	23%	0.226	38%	0.378	C	S	.	.	H	α-helix	trans	-66.9	-34.4	176.2	-69.8	165.5	-173.1	158.2	0	112.1	S63 Q65 I71 I103 D106	S63-K67 WeakPolarHBondContact O-CB 3.23Å; S63-K67 WeakPolarHBondContact O-CD 3.44Å; S63-K67 WeakPolarHBondContact O-CG 3.21Å; S63-K67 PolarHBondContact O-N 3.35Å; S63-K67 VanDerWaalsContact O-N 3.11Å; Q65-K67 VanDerWaalsContact C-N 3.33Å; Q65-K67 PolarHBondContact O-N 3.44Å; K67-I71 WeakPolarHBondContact O-CG1 3.48Å; K67-I71 PolarHBondContact O-N 3.46Å; K67-I71 VanDerWaalsContact O-N 3.14Å; K67-I103 HydrophobicContact CB-CD1 3.85Å; K67-I103 HydrophobicContact CB-CG1 3.99Å; K67-I103 HydrophobicContact CD-CG1 3.89Å; K67-D106 IonicContact NZ-OD2 3.18Å; K67-D106 PolarHBondContact NZ-OD2 3.19Å
68	S	83.7	Confident	84.8	Confident	39 Å²	39	77.9 Å²	77.9	27%	0.273	38%	0.377	S	S	.	.	H	α-helix	trans	-72	-42.2	177.2	-59.3	0	0	0	0	111.7	S64 Q65 E66 E70 I71 L72	S64-S68 VanDerWaalsContact O-CB 3.31Å; S64-S68 WeakPolarHBondContact O-CB 3.46Å; S64-S68 PolarHBondContact O-N 3.02Å; S64-S68 PolarHBondContact O-OG 3.48Å; Q65-S68 WeakPolarHBondContact O-CB 3.46Å; Q65-S68 PolarHBondContact O-N 3.25Å; E66-S68 VanDerWaalsContact C-N 3.34Å; S68-E70 VanDerWaalsContact C-N 3.26Å; S68-E70 PolarHBondContact O-N 2.96Å; S68-I71 WeakPolarHBondContact O-CB 3.47Å; S68-I71 PolarHBondContact O-N 3.41Å; S68-I71 VanDerWaalsContact O-N 3.12Å; S68-L72 WeakPolarHBondContact O-CG 3.34Å; S68-L72 PolarHBondContact O-N 3.38Å
69	D	88.6	Confident	83.5	Confident	54 Å²	54	79 Å²	79	29%	0.289	38%	0.381	S	S	.	.	H	α-helix	trans	-62.2	-36.4	173.9	-67.7	-15.1	0	0	0	111	Q65 L72 R73	Q65-D69 PolarHBondContact NE2-OD1 3.16Å; Q65-D69 VanDerWaalsContact O-CG 3.3Å; Q65-D69 PolarHBondContact O-N 2.74Å; D69-L72 PolarHBondContact O-N 3.3Å; D69-R73 WeakPolarHBondContact O-CB 3.48Å; D69-R73 WeakPolarHBondContact O-CG 3.48Å; D69-R73 PolarHBondContact O-N 2.99Å
70	E	87.6	Confident	82.2	Confident	57 Å²	57	80 Å²	80	27%	0.266	39%	0.385	S	S	.	.	H	α-helix	trans	-65	-38.2	173.5	-175	61.5	-167.9	0	0	112.7	E66 S68 R73 R74 L99	E66-E70 WeakPolarHBondContact O-CB 3.38Å; E66-E70 PolarHBondContact O-N 3.41Å; S68-E70 VanDerWaalsContact C-N 3.26Å; S68-E70 PolarHBondContact O-N 2.96Å; E70-R73 IonicContact OE2-CZ 3.52Å; E70-R73 IonicContact OE2-NE 3.17Å; E70-R73 PolarHBondContact OE2-NE 3.47Å; E70-R73 VanDerWaalsContact OE2-NE 3.17Å; E70-R73 IonicContact OE2-NH2 2.96Å; E70-R73 PolarHBondContact OE2-NH2 3.17Å; E70-R74 WeakPolarHBondContact O-CB 3.42Å; E70-R74 VanDerWaalsContact O-CG 3.3Å; E70-R74 WeakPolarHBondContact O-CG 3.34Å; E70-R74 PolarHBondContact O-N 3Å; E70-R74 VanDerWaalsContact O-N 3.1Å; E70-R74 IonicContact OE1-CZ 3.83Å; E70-R74 IonicContact OE1-NE 2.69Å; E70-R74 PolarHBondContact OE1-NE 3.09Å; E70-R74 IonicContact OE1-NH2 3.62Å; E70-R74 PolarHBondContact OE1-NH2 3.4Å; E70-L99 HydrophobicContact CG-CD1 4.3Å
71	I	84.4	Confident	81	Confident	6 Å²	6	84 Å²	84	3%	0.031	41%	0.406	C	S	.	.	H	α-helix	trans	-63.4	-46.7	172.9	-68	163.2	0	0	0	110	K67 S68 R74 Q75 Q96 L99 Y100 I103	K67-I71 WeakPolarHBondContact O-CG1 3.48Å; K67-I71 PolarHBondContact O-N 3.46Å; K67-I71 VanDerWaalsContact O-N 3.14Å; S68-I71 WeakPolarHBondContact O-CB 3.47Å; S68-I71 PolarHBondContact O-N 3.41Å; S68-I71 VanDerWaalsContact O-N 3.12Å; I71-R74 PolarHBondContact O-N 3.46Å; I71-Q75 HydrophobicContact CG2-CG 4.47Å; I71-Q75 WeakPolarHBondContact O-CG 3.33Å; I71-Q75 PolarHBondContact O-N 3.25Å; I71-Q96 HydrophobicContact CG2-CG 4.01Å; I71-L99 HydrophobicContact CD1-CB 3.96Å; I71-L99 HydrophobicContact CG1-CB 3.98Å; I71-L99 HydrophobicContact CG1-CD1 3.68Å; I71-Y100 HydrophobicContact CD1-CD1 3.93Å; I71-Y100 HydrophobicContact CD1-CE1 3.67Å; I71-Y100 HydrophobicContact CD1-CE2 4.41Å; I71-Y100 HydrophobicContact CD1-CG 4.39Å; I71-I103 HydrophobicContact CD1-CD1 4.16Å
72	L	83.9	Confident	79.3	Confident	80 Å²	80	85.7 Å²	85.7	42%	0.419	41%	0.411	S	S	.	.	H	α-helix	trans	-61.4	-48.8	178.7	-70.2	172.8	0	0	0	111.2	S68 D69 R74 Q75 F76	S68-L72 WeakPolarHBondContact O-CG 3.34Å; S68-L72 PolarHBondContact O-N 3.38Å; D69-L72 PolarHBondContact O-N 3.3Å; L72-R74 VanDerWaalsContact C-N 3.32Å; L72-R74 PolarHBondContact O-N 2.87Å; L72-Q75 WeakPolarHBondContact O-CB 3.41Å; L72-Q75 PolarHBondContact O-N 2.88Å; L72-Q75 VanDerWaalsContact O-N 3.13Å; L72-F76 HydrophobicContact CB-CE2 4.46Å; L72-F76 WeakPolarHBondContact O-CD2 3.17Å; L72-F76 PolarHBondContact O-N 2.88Å
73	R	84.5	Confident	77.4	Confident	125 Å²	125	92 Å²	92	47%	0.472	44%	0.435	S	S	.	.	H	α-helix	trans	-53.8	-47.4	176.5	-77.5	-172.3	-69.7	-103.9	1	111.8	D69 E70 Q75 F76 E77	D69-R73 WeakPolarHBondContact O-CB 3.48Å; D69-R73 WeakPolarHBondContact O-CG 3.48Å; D69-R73 PolarHBondContact O-N 2.99Å; E70-R73 IonicContact OE2-CZ 3.52Å; E70-R73 IonicContact OE2-NE 3.17Å; E70-R73 PolarHBondContact OE2-NE 3.47Å; E70-R73 VanDerWaalsContact OE2-NE 3.17Å; E70-R73 IonicContact OE2-NH2 2.96Å; E70-R73 PolarHBondContact OE2-NH2 3.17Å; R73-Q75 PolarHBondContact O-N 3.41Å; R73-F76 PolarHBondContact O-N 2.85Å; R73-E77 WeakPolarHBondContact O-CG 3.42Å; R73-E77 PolarHBondContact O-N 3.05Å
74	R	76.5	Confident	75.5	Confident	88 Å²	88	93.3 Å²	93.3	33%	0.332	45%	0.454	S	S	.	.	H	α-helix	trans	-66.9	-35.9	178.6	-71.1	177.9	-172.4	177.1	5.6	113.1	E70 I71 L72 E77 N78	E70-R74 WeakPolarHBondContact O-CB 3.42Å; E70-R74 VanDerWaalsContact O-CG 3.3Å; E70-R74 WeakPolarHBondContact O-CG 3.34Å; E70-R74 PolarHBondContact O-N 3Å; E70-R74 VanDerWaalsContact O-N 3.1Å; E70-R74 IonicContact OE1-CZ 3.83Å; E70-R74 IonicContact OE1-NE 2.69Å; E70-R74 PolarHBondContact OE1-NE 3.09Å; E70-R74 IonicContact OE1-NH2 3.62Å; E70-R74 PolarHBondContact OE1-NH2 3.4Å; I71-R74 PolarHBondContact O-N 3.46Å; L72-R74 VanDerWaalsContact C-N 3.32Å; L72-R74 PolarHBondContact O-N 2.87Å; R74-E77 PolarHBondContact O-N 3.49Å; R74-N78 WeakPolarHBondContact O-CB 3.12Å; R74-N78 PolarHBondContact O-N 3.39Å; R74-N78 PolarHBondContact O-ND2 2.9Å; R74-N78 VanDerWaalsContact O-ND2 3.17Å
75	Q	73.3	Confident	74.1	Confident	80 Å²	80	97.3 Å²	97.3	37%	0.374	48%	0.478	S	S	.	.	H	α-helix	trans	-63.4	-43.9	173.3	-75.4	179.3	-7	0	0	111.5	I71 L72 R73 N78 F79	I71-Q75 HydrophobicContact CG2-CG 4.47Å; I71-Q75 WeakPolarHBondContact O-CG 3.33Å; I71-Q75 PolarHBondContact O-N 3.25Å; L72-Q75 WeakPolarHBondContact O-CB 3.41Å; L72-Q75 PolarHBondContact O-N 2.88Å; L72-Q75 VanDerWaalsContact O-N 3.13Å; R73-Q75 PolarHBondContact O-N 3.41Å; Q75-N78 PolarHBondContact O-N 3.15Å; Q75-F79 PolarHBondContact O-N 2.95Å
76	F	72.9	Confident	72.8	Confident	137 Å²	137	97 Å²	97	60%	0.601	49%	0.486	S	S	*	.	H	α-helix	trans	-63.5	-43.7	175.2	-77.3	-67.6	0	0	0	112.3	L72 R73 N78 F79 I80	L72-F76 HydrophobicContact CB-CE2 4.46Å; L72-F76 WeakPolarHBondContact O-CD2 3.17Å; L72-F76 PolarHBondContact O-N 2.88Å; R73-F76 PolarHBondContact O-N 2.85Å; F76-N78 PolarHBondContact O-N 3.09Å; F76-F79 PolarHBondContact O-N 3.11Å; F76-I80 WeakPolarHBondContact O-CG1 3.41Å; F76-I80 PolarHBondContact O-N 3.3Å; F76-I80 VanDerWaalsContact O-N 3.09Å
77	E	72.1	Confident	71.5	Confident	114 Å²	114	97.1 Å²	97.1	53%	0.533	49%	0.487	S	S	.	.	H	α-helix	trans	-62	-41.7	176.8	-75.3	175.5	177.3	0	0	112.6	R73 R74 F79 I80 N81	R73-E77 WeakPolarHBondContact O-CG 3.42Å; R73-E77 PolarHBondContact O-N 3.05Å; R74-E77 PolarHBondContact O-N 3.49Å; E77-F79 VanDerWaalsContact C-N 3.32Å; E77-F79 PolarHBondContact O-N 3.42Å; E77-I80 PolarHBondContact O-N 3.33Å; E77-N81 WeakPolarHBondContact O-CB 3.42Å; E77-N81 VanDerWaalsContact O-CG 3.3Å; E77-N81 PolarHBondContact O-N 3.36Å; E77-N81 PolarHBondContact O-ND2 2.91Å; E77-N81 VanDerWaalsContact O-ND2 3.16Å
78	N	67.8	Low	70.7	Confident	78 Å²	78	98.7 Å²	98.7	42%	0.417	50%	0.498	S	S	.	.	H	α-helix	trans	-64.9	-35.9	175.5	-70.3	-23.6	0	0	0	112.3	R74 Q75 F76	R74-N78 WeakPolarHBondContact O-CB 3.12Å; R74-N78 PolarHBondContact O-N 3.39Å; R74-N78 PolarHBondContact O-ND2 2.9Å; R74-N78 VanDerWaalsContact O-ND2 3.17Å; Q75-N78 PolarHBondContact O-N 3.15Å; F76-N78 PolarHBondContact O-N 3.09Å
79	F	65.3	Low	70.1	Confident	146 Å²	146	102.9 Å²	102.9	64%	0.64	52%	0.517	S	S	*	.	H	α-helix	trans	-69.6	-32.8	177.8	-173.4	-93.9	0	0	0	112.7	Q75 F76 E77 Q82	Q75-F79 PolarHBondContact O-N 2.95Å; F76-F79 PolarHBondContact O-N 3.11Å; E77-F79 VanDerWaalsContact C-N 3.32Å; E77-F79 PolarHBondContact O-N 3.42Å; F79-Q82 WeakPolarHBondContact O-CG 3.43Å; F79-Q82 PolarHBondContact O-NE2 3.14Å
80	I	65.8	Low	69.6	Low	127 Å²	127	105.6 Å²	105.6	65%	0.651	53%	0.528	S	S	*	.	H	α-helix	trans	-78.6	-37.6	179	-66.7	167.3	0	0	0	111.2	F76 E77 Q82	F76-I80 WeakPolarHBondContact O-CG1 3.41Å; F76-I80 PolarHBondContact O-N 3.3Å; F76-I80 VanDerWaalsContact O-N 3.09Å; E77-I80 PolarHBondContact O-N 3.33Å; I80-Q82 VanDerWaalsContact C-N 3.26Å; I80-Q82 PolarHBondContact O-N 3.41Å
81	N	63.7	Low	69.2	Low	111 Å²	111	108.5 Å²	108.5	59%	0.594	54%	0.539	S	S	*	.			trans	-83.6	42.5	-174.8	-67.8	-29.8	0	0	0	114.2	E77 K83	E77-N81 WeakPolarHBondContact O-CB 3.42Å; E77-N81 VanDerWaalsContact O-CG 3.3Å; E77-N81 PolarHBondContact O-N 3.36Å; E77-N81 PolarHBondContact O-ND2 2.91Å; E77-N81 VanDerWaalsContact O-ND2 3.16Å; N81-K83 PolarHBondContact O-N 3.21Å
82	Q	56.6	Low	68.9	Low	155 Å²	155	109.3 Å²	109.3	72%	0.724	55%	0.547	S	S	*	.			trans	-54.9	16.1	-174.4	-83.2	176.7	19.8	0	0	118.2	F79 I80	F79-Q82 WeakPolarHBondContact O-CG 3.43Å; F79-Q82 PolarHBondContact O-NE2 3.14Å; I80-Q82 VanDerWaalsContact C-N 3.26Å; I80-Q82 PolarHBondContact O-N 3.41Å
83	K	52	Low	68.7	Low	213 Å²	213	110.4 Å²	110.4	93%	0.926	55%	0.552	S	S	*	*			trans	-123.8	82.1	168.2	-67.5	-176.7	179.8	178.8	0	110	N81	N81-K83 PolarHBondContact O-N 3.21Å
84	G	50	Low	68.7	Low	61 Å²	61	110.5 Å²	110.5	63%	0.629	56%	0.556	S	S	*	*			trans	-151	138.9	178.1	0	0	0	0	0	112.5
85	V	56.7	Low	69.1	Low	98 Å²	98	111.9 Å²	111.9	59%	0.594	57%	0.565	S	S	*	*			trans	-62.8	149.2	-174.6	177	0	0	0	0	111.3	E87 D88	V85-E87 HydrophobicContact CG1-CB 4.42Å; V85-E87 PolarHBondContact O-N 3.12Å; V85-D88 PolarHBondContact O-N 3.36Å
86	S	64	Low	69.6	Low	93 Å²	93	110.1 Å²	110.1	65%	0.65	56%	0.556	S	S	*	*	H	α-helix	trans	-45.9	-32.2	178	-176.7	0	0	0	0	114.4	Q90	S86-Q90 PolarHBondContact O-N 3.19Å
87	E	65.4	Low	70.3	Confident	126 Å²	126	110.1 Å²	110.1	59%	0.589	56%	0.558	S	S	*	*	H	α-helix	trans	-69.3	-34.3	177.3	-73.5	-172.3	152.7	0	0	114.4	V85 Q90 K91	V85-E87 HydrophobicContact CG1-CB 4.42Å; V85-E87 PolarHBondContact O-N 3.12Å; E87-Q90 PolarHBondContact O-N 3.02Å; E87-K91 WeakPolarHBondContact O-CG 3.38Å; E87-K91 PolarHBondContact O-N 3.37Å
88	D	70.6	Confident	71.1	Confident	85 Å²	85	110.1 Å²	110.1	46%	0.455	56%	0.558	S	S	.	*	H	α-helix	trans	-74.7	-35.4	-178	-68.2	-31.8	0	0	0	111.4	V85 K91 A92	V85-D88 PolarHBondContact O-N 3.36Å; D88-K91 PolarHBondContact O-N 2.86Å; D88-K91 IonicContact OD1-NZ 2.78Å; D88-A92 PolarHBondContact O-N 3.48Å
89	L	71.5	Confident	72	Confident	127 Å²	127	108 Å²	108	67%	0.665	55%	0.547	S	S	*	.	H	α-helix	trans	-64.5	-41.5	172.1	-163.2	111.7	0	0	0	111.5	A92 L93	L89-A92 PolarHBondContact O-N 2.85Å; L89-L93 WeakPolarHBondContact O-CB 3.22Å; L89-L93 PolarHBondContact O-N 3.2Å
90	Q	77	Confident	73.1	Confident	111 Å²	111	106 Å²	106	52%	0.519	54%	0.536	S	S	.	.	H	α-helix	trans	-64	-39.5	174.2	-80.9	-169.9	-9.7	0	0	112.6	S86 E87 L93 K94	S86-Q90 PolarHBondContact O-N 3.19Å; E87-Q90 PolarHBondContact O-N 3.02Å; Q90-L93 PolarHBondContact O-N 2.97Å; Q90-K94 WeakPolarHBondContact O-CG 3.48Å; Q90-K94 PolarHBondContact O-N 2.89Å
91	K	79.7	Confident	74.4	Confident	118 Å²	118	102.5 Å²	102.5	51%	0.513	52%	0.522	S	S	.	.	H	α-helix	trans	-63.9	-40.4	174.7	-75	171.6	-171.4	161.3	0	111.6	E87 D88 K95	E87-K91 WeakPolarHBondContact O-CG 3.38Å; E87-K91 PolarHBondContact O-N 3.37Å; D88-K91 PolarHBondContact O-N 2.86Å; D88-K91 IonicContact OD1-NZ 2.78Å; K91-K95 WeakPolarHBondContact O-CG 3.49Å; K91-K95 PolarHBondContact O-N 2.85Å; K91-K95 VanDerWaalsContact O-N 3.11Å
92	A	77.1	Confident	75.7	Confident	22 Å²	22	100 Å²	100	18%	0.182	51%	0.511	C	S	.	.	H	α-helix	trans	-65.7	-42.5	176.3	0	0	0	0	0	112.3	D88 L89 K95 Q96	D88-A92 PolarHBondContact O-N 3.48Å; L89-A92 PolarHBondContact O-N 2.85Å; A92-K95 PolarHBondContact O-N 3.45Å; A92-Q96 PolarHBondContact O-N 3.15Å
93	L	80.5	Confident	77.4	Confident	103 Å²	103	93.3 Å²	93.3	54%	0.539	48%	0.48	S	S	.	.	H	α-helix	trans	-62.5	-43.6	176.1	-171.5	76.2	0	0	0	112	L89 Q90 K95 Q96 Q97	L89-L93 WeakPolarHBondContact O-CB 3.22Å; L89-L93 PolarHBondContact O-N 3.2Å; Q90-L93 PolarHBondContact O-N 2.97Å; L93-K95 PolarHBondContact O-N 3.14Å; L93-Q96 WeakPolarHBondContact O-CB 3.38Å; L93-Q96 PolarHBondContact O-N 3.44Å; L93-Q97 WeakPolarHBondContact O-CB 3.35Å; L93-Q97 PolarHBondContact O-N 3.48Å
94	K	85.4	Confident	79.2	Confident	128 Å²	128	87.1 Å²	87.1	56%	0.557	46%	0.456	S	S	*	.	H	α-helix	trans	-59.5	-46.8	175.5	-77.2	178	179.6	178.1	0	111.6	Q90 Q96 Q97 E98	Q90-K94 WeakPolarHBondContact O-CG 3.48Å; Q90-K94 PolarHBondContact O-N 2.89Å; K94-Q96 VanDerWaalsContact C-N 3.3Å; K94-Q96 PolarHBondContact O-N 3.44Å; K94-Q97 WeakPolarHBondContact O-CB 3.4Å; K94-Q97 PolarHBondContact O-N 2.82Å; K94-E98 WeakPolarHBondContact O-CG 3.37Å; K94-E98 PolarHBondContact O-N 3.21Å
95	K	83	Confident	81.3	Confident	117 Å²	117	88.6 Å²	88.6	51%	0.509	45%	0.45	S	S	.	.	H	α-helix	trans	-61.6	-36.2	175.2	-73.3	178.2	178.6	-178.4	0	112.8	K91 A92 L93 E98 L99	K91-K95 WeakPolarHBondContact O-CG 3.49Å; K91-K95 PolarHBondContact O-N 2.85Å; K91-K95 VanDerWaalsContact O-N 3.11Å; A92-K95 PolarHBondContact O-N 3.45Å; L93-K95 PolarHBondContact O-N 3.14Å; K95-E98 WeakPolarHBondContact O-CB 3.32Å; K95-E98 PolarHBondContact O-N 3.08Å; K95-L99 WeakPolarHBondContact O-CG 3.32Å; K95-L99 PolarHBondContact O-N 3.24Å
96	Q	84.4	Confident	82.9	Confident	42 Å²	42	86.6 Å²	86.6	20%	0.196	44%	0.436	C	S	.	.	H	α-helix	trans	-67.8	-42.2	175.4	-169.1	-173.6	-11.8	0	0	111.4	I71 A92 L93 K94 E98 L99 Y100	I71-Q96 HydrophobicContact CG2-CG 4.01Å; A92-Q96 PolarHBondContact O-N 3.15Å; L93-Q96 WeakPolarHBondContact O-CB 3.38Å; L93-Q96 PolarHBondContact O-N 3.44Å; K94-Q96 VanDerWaalsContact C-N 3.3Å; K94-Q96 PolarHBondContact O-N 3.44Å; Q96-E98 VanDerWaalsContact C-N 3.28Å; Q96-E98 PolarHBondContact O-N 3.43Å; Q96-L99 PolarHBondContact O-N 2.99Å; Q96-Y100 HydrophobicContact CG-CD2 4.06Å; Q96-Y100 HydrophobicContact CG-CE2 3.66Å; Q96-Y100 VanDerWaalsContact O-CD2 3.26Å; Q96-Y100 WeakPolarHBondContact O-CD2 3.32Å; Q96-Y100 PolarHBondContact O-N 3.4Å
97	Q	87.6	Confident	84.2	Confident	137 Å²	137	86.6 Å²	86.6	64%	0.64	42%	0.424	S	S	*	.	H	α-helix	trans	-63.1	-35.2	175.1	-165.2	174.4	0.4	0	0	111.8	L93 K94 S101	L93-Q97 WeakPolarHBondContact O-CB 3.35Å; L93-Q97 PolarHBondContact O-N 3.48Å; K94-Q97 WeakPolarHBondContact O-CB 3.4Å; K94-Q97 PolarHBondContact O-N 2.82Å; Q97-S101 WeakPolarHBondContact O-CB 3.5Å; Q97-S101 PolarHBondContact O-N 2.97Å; Q97-S101 PolarHBondContact O-OG 3.22Å
98	E	89.3	Confident	85.6	Confident	114 Å²	114	86.2 Å²	86.2	53%	0.533	42%	0.42	S	S	.	.	H	α-helix	trans	-65.6	-41.9	171.4	-71.9	164.8	-170.7	0	0	112.5	K94 K95 Q96 S101 T102	K94-E98 WeakPolarHBondContact O-CG 3.37Å; K94-E98 PolarHBondContact O-N 3.21Å; K95-E98 WeakPolarHBondContact O-CB 3.32Å; K95-E98 PolarHBondContact O-N 3.08Å; Q96-E98 VanDerWaalsContact C-N 3.28Å; Q96-E98 PolarHBondContact O-N 3.43Å; E98-S101 WeakPolarHBondContact CA-OG 3.25Å; E98-S101 PolarHBondContact O-N 3.29Å; E98-S101 PolarHBondContact O-OG 2.88Å; E98-T102 WeakPolarHBondContact O-CB 3.43Å; E98-T102 PolarHBondContact O-N 3.14Å; E98-T102 PolarHBondContact O-OG1 3.37Å
99	L	87.6	Confident	86.7	Confident	33 Å²	33	84.4 Å²	84.4	17%	0.173	42%	0.418	C	S	.	.	H	α-helix	trans	-65.4	-42.9	176.4	-71.7	177.5	0	0	0	112.1	E70 I71 K95 Q96 T102 I103	E70-L99 HydrophobicContact CG-CD1 4.3Å; I71-L99 HydrophobicContact CD1-CB 3.96Å; I71-L99 HydrophobicContact CG1-CB 3.98Å; I71-L99 HydrophobicContact CG1-CD1 3.68Å; K95-L99 WeakPolarHBondContact O-CG 3.32Å; K95-L99 PolarHBondContact O-N 3.24Å; Q96-L99 PolarHBondContact O-N 2.99Å; L99-T102 WeakPolarHBondContact O-CB 3.44Å; L99-T102 PolarHBondContact O-N 3.42Å; L99-I103 WeakPolarHBondContact O-CG1 2.91Å; L99-I103 PolarHBondContact O-N 3.5Å
100	Y	87.4	Confident	87.8	Confident	106 Å²	106	79.5 Å²	79.5	42%	0.416	39%	0.392	S	S	.	.	H	α-helix	trans	-65.4	-39.7	174.7	-73.6	-58	0	0	0	112.7	I71 Q96 T102 I103 I104	I71-Y100 HydrophobicContact CD1-CD1 3.93Å; I71-Y100 HydrophobicContact CD1-CE1 3.67Å; I71-Y100 HydrophobicContact CD1-CE2 4.41Å; I71-Y100 HydrophobicContact CD1-CG 4.39Å; Q96-Y100 HydrophobicContact CG-CD2 4.06Å; Q96-Y100 HydrophobicContact CG-CE2 3.66Å; Q96-Y100 VanDerWaalsContact O-CD2 3.26Å; Q96-Y100 WeakPolarHBondContact O-CD2 3.32Å; Q96-Y100 PolarHBondContact O-N 3.4Å; Y100-T102 VanDerWaalsContact C-N 3.26Å; Y100-T102 PolarHBondContact O-N 3.48Å; Y100-I103 PolarHBondContact O-N 2.92Å; Y100-I104 WeakPolarHBondContact O-CB 3.45Å; Y100-I104 WeakPolarHBondContact O-CD1 3.47Å; Y100-I104 VanDerWaalsContact O-CG1 3.23Å; Y100-I104 WeakPolarHBondContact O-CG1 3.4Å; Y100-I104 PolarHBondContact O-N 2.89Å
101	S	92.6	Very high	88.6	Confident	52 Å²	52	78.5 Å²	78.5	36%	0.364	39%	0.389	S	S	.	.	H	α-helix	trans	-64	-36.3	176.3	72.9	0	0	0	0	111.3	Q97 E98 I104 N105	Q97-S101 WeakPolarHBondContact O-CB 3.5Å; Q97-S101 PolarHBondContact O-N 2.97Å; Q97-S101 PolarHBondContact O-OG 3.22Å; E98-S101 WeakPolarHBondContact CA-OG 3.25Å; E98-S101 PolarHBondContact O-N 3.29Å; E98-S101 PolarHBondContact O-OG 2.88Å; S101-I104 PolarHBondContact O-N 3.43Å; S101-N105 WeakPolarHBondContact O-CB 3.2Å; S101-N105 PolarHBondContact O-N 3.39Å; S101-N105 PolarHBondContact O-ND2 3.45Å
102	T	91.8	Very high	89.3	Confident	58 Å²	58	77.2 Å²	77.2	36%	0.356	39%	0.388	S	S	.	.	H	α-helix	trans	-62.3	-51.6	173.9	-49.6	0	0	0	0	111.1	E98 L99 Y100 I104 N105 D106	E98-T102 WeakPolarHBondContact O-CB 3.43Å; E98-T102 PolarHBondContact O-N 3.14Å; E98-T102 PolarHBondContact O-OG1 3.37Å; L99-T102 WeakPolarHBondContact O-CB 3.44Å; L99-T102 PolarHBondContact O-N 3.42Å; Y100-T102 VanDerWaalsContact C-N 3.26Å; Y100-T102 PolarHBondContact O-N 3.48Å; T102-I104 VanDerWaalsContact C-N 3.32Å; T102-I104 PolarHBondContact O-N 2.87Å; T102-N105 PolarHBondContact O-N 3.43Å; T102-N105 VanDerWaalsContact O-N 3.16Å; T102-D106 VanDerWaalsContact O-CG 3.25Å; T102-D106 PolarHBondContact O-N 2.91Å
103	I	91.4	Very high	90.1	Very high	15 Å²	15	81.4 Å²	81.4	8%	0.077	40%	0.403	C	S	.	.	H	α-helix	trans	-58.2	-43.2	177	-65.7	168.3	0	0	0	111.4	K67 I71 L99 Y100 N105 D106 K107	K67-I103 HydrophobicContact CB-CD1 3.85Å; K67-I103 HydrophobicContact CB-CG1 3.99Å; K67-I103 HydrophobicContact CD-CG1 3.89Å; I71-I103 HydrophobicContact CD1-CD1 4.16Å; L99-I103 WeakPolarHBondContact O-CG1 2.91Å; L99-I103 PolarHBondContact O-N 3.5Å; Y100-I103 PolarHBondContact O-N 2.92Å; I103-N105 VanDerWaalsContact C-N 3.34Å; I103-N105 PolarHBondContact O-N 3.29Å; I103-D106 PolarHBondContact O-N 3.23Å; I103-K107 HydrophobicContact CG2-CD 4.06Å; I103-K107 HydrophobicContact CG2-CG 4.44Å; I103-K107 WeakPolarHBondContact O-CB 3.47Å; I103-K107 WeakPolarHBondContact O-CG 3.26Å; I103-K107 PolarHBondContact O-N 3.26Å
104	I	91.2	Very high	90.7	Very high	84 Å²	84	79.1 Å²	79.1	43%	0.431	39%	0.392	S	S	.	.	H	α-helix	trans	-64.1	-40.9	179.1	-70.3	166	0	0	0	111	Y100 S101 T102 K108	Y100-I104 WeakPolarHBondContact O-CB 3.45Å; Y100-I104 WeakPolarHBondContact O-CD1 3.47Å; Y100-I104 VanDerWaalsContact O-CG1 3.23Å; Y100-I104 WeakPolarHBondContact O-CG1 3.4Å; Y100-I104 PolarHBondContact O-N 2.89Å; S101-I104 PolarHBondContact O-N 3.43Å; T102-I104 VanDerWaalsContact C-N 3.32Å; T102-I104 PolarHBondContact O-N 2.87Å; I104-K108 HydrophobicContact CG2-CD 3.97Å; I104-K108 HydrophobicContact CG2-CG 4.43Å; I104-K108 WeakPolarHBondContact O-CB 3.3Å; I104-K108 WeakPolarHBondContact O-CG 3.46Å; I104-K108 PolarHBondContact O-N 2.72Å
105	N	92.9	Very high	91.1	Very high	92 Å²	92	77.3 Å²	77.3	49%	0.492	39%	0.387	S	S	.	.	H	α-helix	trans	-68.5	-41.7	179.3	-70.5	-21.3	0	0	0	111.7	S101 T102 I103 K108 A109	S101-N105 WeakPolarHBondContact O-CB 3.2Å; S101-N105 PolarHBondContact O-N 3.39Å; S101-N105 PolarHBondContact O-ND2 3.45Å; T102-N105 PolarHBondContact O-N 3.43Å; T102-N105 VanDerWaalsContact O-N 3.16Å; I103-N105 VanDerWaalsContact C-N 3.34Å; I103-N105 PolarHBondContact O-N 3.29Å; N105-K108 PolarHBondContact O-N 3.38Å; N105-A109 WeakPolarHBondContact O-CB 3.38Å; N105-A109 PolarHBondContact O-N 3.07Å
106	D	89.9	Confident	91.5	Very high	55 Å²	55	78.2 Å²	78.2	29%	0.294	39%	0.393	S	S	.	.	H	α-helix	trans	-61.7	-47.7	175.5	-64.2	-23.8	0	0	0	110.7	K67 T102 I103 K108 A109 I110	K67-D106 IonicContact NZ-OD2 3.18Å; K67-D106 PolarHBondContact NZ-OD2 3.19Å; T102-D106 VanDerWaalsContact O-CG 3.25Å; T102-D106 PolarHBondContact O-N 2.91Å; I103-D106 PolarHBondContact O-N 3.23Å; D106-K108 PolarHBondContact O-N 3.03Å; D106-A109 WeakPolarHBondContact O-CB 3.35Å; D106-A109 PolarHBondContact O-N 3.09Å; D106-A109 VanDerWaalsContact O-N 3.14Å; D106-I110 WeakPolarHBondContact O-CG1 3.45Å; D106-I110 PolarHBondContact O-N 2.8Å
107	K	92.8	Very high	91.8	Very high	94 Å²	94	77.6 Å²	77.6	41%	0.409	40%	0.395	S	S	.	.	H	α-helix	trans	-60.7	-42	175.2	-72.6	-176.3	178.8	-171.8	0	112.4	I103 A109 I110 I111	I103-K107 HydrophobicContact CG2-CD 4.06Å; I103-K107 HydrophobicContact CG2-CG 4.44Å; I103-K107 WeakPolarHBondContact O-CB 3.47Å; I103-K107 WeakPolarHBondContact O-CG 3.26Å; I103-K107 PolarHBondContact O-N 3.26Å; K107-A109 VanDerWaalsContact C-N 3.34Å; K107-A109 PolarHBondContact O-N 3.27Å; K107-I110 PolarHBondContact O-N 3.25Å; K107-I111 WeakPolarHBondContact O-CB 3.49Å; K107-I111 WeakPolarHBondContact O-CD1 3.5Å; K107-I111 WeakPolarHBondContact O-CG1 3.31Å; K107-I111 PolarHBondContact O-N 2.89Å
108	K	95	Very high	91.9	Very high	117 Å²	117	75.6 Å²	75.6	51%	0.509	39%	0.389	S	S	.	.	H	α-helix	trans	-62.4	-39.7	174.7	-78.5	173.3	-179.8	175.7	0	112.1	I104 N105 D106 I111 N112	I104-K108 HydrophobicContact CG2-CD 3.97Å; I104-K108 HydrophobicContact CG2-CG 4.43Å; I104-K108 WeakPolarHBondContact O-CB 3.3Å; I104-K108 WeakPolarHBondContact O-CG 3.46Å; I104-K108 PolarHBondContact O-N 2.72Å; N105-K108 PolarHBondContact O-N 3.38Å; D106-K108 PolarHBondContact O-N 3.03Å; K108-I111 PolarHBondContact O-N 3.45Å; K108-N112 VanDerWaalsContact O-CG 3.28Å; K108-N112 PolarHBondContact O-N 3.44Å; K108-N112 PolarHBondContact O-ND2 3.21Å
109	A	93.8	Very high	92.1	Very high	48 Å²	48	76.8 Å²	76.8	40%	0.397	39%	0.392	S	S	.	.	H	α-helix	trans	-63.1	-46.4	176.8	0	0	0	0	0	111	N105 D106 K107 N112 E113	N105-A109 WeakPolarHBondContact O-CB 3.38Å; N105-A109 PolarHBondContact O-N 3.07Å; D106-A109 WeakPolarHBondContact O-CB 3.35Å; D106-A109 PolarHBondContact O-N 3.09Å; D106-A109 VanDerWaalsContact O-N 3.14Å; K107-A109 VanDerWaalsContact C-N 3.34Å; K107-A109 PolarHBondContact O-N 3.27Å; A109-N112 WeakPolarHBondContact O-CB 3.4Å; A109-N112 PolarHBondContact O-N 3.02Å; A109-E113 PolarHBondContact O-N 3.31Å
110	I	94.1	Very high	92.3	Very high	24 Å²	24	80.3 Å²	80.3	12%	0.123	41%	0.411	C	S	.	.	H	α-helix	trans	-63.3	-44	177.2	-65.3	167.8	0	0	0	111.4	M56 L57 D60 D106 K107 N112 E113 L114	M56-I110 HydrophobicContact CE-CB 4.02Å; M56-I110 HydrophobicContact CE-CG1 3.7Å; M56-I110 HydrophobicContact CE-CG2 3.87Å; L57-I110 HydrophobicContact CD2-CG2 4.31Å; D60-I110 HydrophobicContact CB-CD1 3.35Å; D60-I110 WeakPolarHBondContact OD1-CD1 3.38Å; D106-I110 WeakPolarHBondContact O-CG1 3.45Å; D106-I110 PolarHBondContact O-N 2.8Å; K107-I110 PolarHBondContact O-N 3.25Å; I110-N112 VanDerWaalsContact C-N 3.27Å; I110-N112 PolarHBondContact O-N 3.03Å; I110-E113 PolarHBondContact O-N 2.71Å; I110-L114 HydrophobicContact CG2-CD1 3.84Å; I110-L114 HydrophobicContact CG2-CG 4.22Å; I110-L114 WeakPolarHBondContact O-CB 3.43Å; I110-L114 VanDerWaalsContact O-CG 3.3Å; I110-L114 WeakPolarHBondContact O-CG 3.41Å; I110-L114 PolarHBondContact O-N 3.24Å
111	I	93.4	Very high	92.3	Very high	90 Å²	90	78.3 Å²	78.3	46%	0.462	41%	0.405	S	S	.	.	H	α-helix	trans	-57	-44.3	175.2	-72.1	163.5	0	0	0	110.2	K107 K108 L114 L115	K107-I111 WeakPolarHBondContact O-CB 3.49Å; K107-I111 WeakPolarHBondContact O-CD1 3.5Å; K107-I111 WeakPolarHBondContact O-CG1 3.31Å; K107-I111 PolarHBondContact O-N 2.89Å; K108-I111 PolarHBondContact O-N 3.45Å; I111-L114 PolarHBondContact O-N 2.95Å; I111-L115 HydrophobicContact CG2-CD1 3.79Å; I111-L115 HydrophobicContact CG2-CG 4.27Å; I111-L115 WeakPolarHBondContact O-CB 3.32Å; I111-L115 WeakPolarHBondContact O-CG 3.4Å; I111-L115 PolarHBondContact O-N 3.36Å
112	N	95	Very high	92.2	Very high	91 Å²	91	79.9 Å²	79.9	49%	0.487	41%	0.409	S	S	.	.	H	α-helix	trans	-64.4	-42	177.8	-72.7	-30.3	0	0	0	112.5	K108 A109 I110 L115 Q116	K108-N112 VanDerWaalsContact O-CG 3.28Å; K108-N112 PolarHBondContact O-N 3.44Å; K108-N112 PolarHBondContact O-ND2 3.21Å; A109-N112 WeakPolarHBondContact O-CB 3.4Å; A109-N112 PolarHBondContact O-N 3.02Å; I110-N112 VanDerWaalsContact C-N 3.27Å; I110-N112 PolarHBondContact O-N 3.03Å; N112-L115 PolarHBondContact O-N 3.41Å; N112-Q116 WeakPolarHBondContact O-CG 3.24Å; N112-Q116 PolarHBondContact O-N 3.07Å
113	E	93.6	Very high	92.2	Very high	109 Å²	109	82.6 Å²	82.6	51%	0.509	42%	0.422	S	S	.	.	H	α-helix	trans	-63.6	-42.4	175.3	-75.3	-173.3	-164.6	0	0	112.1	M56 A109 I110 Q116 A117	M56-E113 HydrophobicContact CE-CB 3.99Å; M56-E113 HydrophobicContact CE-CG 4.43Å; M56-E113 WeakPolarHBondContact CE-OE2 3.28Å; A109-E113 PolarHBondContact O-N 3.31Å; I110-E113 PolarHBondContact O-N 2.71Å; E113-Q116 PolarHBondContact O-N 3.21Å; E113-A117 VanDerWaalsContact O-CB 3.24Å; E113-A117 WeakPolarHBondContact O-CB 3.39Å; E113-A117 PolarHBondContact O-N 2.84Å
114	L	91.8	Very high	92.1	Very high	56 Å²	56	86.1 Å²	86.1	29%	0.293	44%	0.441	S	S	.	.	H	α-helix	trans	-64.9	-41.5	175.7	-69.5	173.7	0	0	0	111.8	L57 I110 I111 A117 L118	L57-L114 HydrophobicContact CD2-CD1 4.12Å; I110-L114 HydrophobicContact CG2-CD1 3.84Å; I110-L114 HydrophobicContact CG2-CG 4.22Å; I110-L114 WeakPolarHBondContact O-CB 3.43Å; I110-L114 VanDerWaalsContact O-CG 3.3Å; I110-L114 WeakPolarHBondContact O-CG 3.41Å; I110-L114 PolarHBondContact O-N 3.24Å; I111-L114 PolarHBondContact O-N 2.95Å; L114-A117 PolarHBondContact O-N 3.37Å; L114-L118 VanDerWaalsContact O-CB 3.3Å; L114-L118 WeakPolarHBondContact O-CB 3.14Å; L114-L118 PolarHBondContact O-N 2.85Å
115	L	93.8	Very high	91.8	Very high	89 Å²	89	88.8 Å²	88.8	47%	0.466	45%	0.446	S	S	.	.	H	α-helix	trans	-64.2	-41.2	175.9	-74.8	172.1	0	0	0	111.9	I111 N112 L118 K119	I111-L115 HydrophobicContact CG2-CD1 3.79Å; I111-L115 HydrophobicContact CG2-CG 4.27Å; I111-L115 WeakPolarHBondContact O-CB 3.32Å; I111-L115 WeakPolarHBondContact O-CG 3.4Å; I111-L115 PolarHBondContact O-N 3.36Å; N112-L115 PolarHBondContact O-N 3.41Å; L115-L118 PolarHBondContact O-N 3.4Å; L115-K119 WeakPolarHBondContact O-CG 3.45Å; L115-K119 PolarHBondContact O-N 2.93Å
116	Q	92.5	Very high	91.8	Very high	136 Å²	136	86.2 Å²	86.2	64%	0.636	44%	0.438	S	S	*	.	H	α-helix	trans	-65.6	-43.6	173.6	-74.4	-179.8	14.7	0	0	111.5	N112 E113 L118 K119 L120	N112-Q116 WeakPolarHBondContact O-CG 3.24Å; N112-Q116 PolarHBondContact O-N 3.07Å; E113-Q116 PolarHBondContact O-N 3.21Å; Q116-L118 PolarHBondContact O-N 3.39Å; Q116-K119 PolarHBondContact O-N 3.08Å; Q116-L120 WeakPolarHBondContact O-CB 3.3Å; Q116-L120 PolarHBondContact O-N 3.04Å
117	A	89.8	Confident	91.9	Very high	29 Å²	29	85.4 Å²	85.4	24%	0.24	44%	0.436	C	S	.	.	H	α-helix	trans	-64.4	-30.8	177.6	0	0	0	0	0	112.5	R53 E113 L114 Q121	R53-A117 PolarHBondContact NH2-O 3.43Å; R53-A117 VanDerWaalsContact NH2-O 3.07Å; E113-A117 VanDerWaalsContact O-CB 3.24Å; E113-A117 WeakPolarHBondContact O-CB 3.39Å; E113-A117 PolarHBondContact O-N 2.84Å; L114-A117 PolarHBondContact O-N 3.37Å; A117-Q121 VanDerWaalsContact O-CB 3.3Å; A117-Q121 WeakPolarHBondContact O-CB 3.38Å; A117-Q121 PolarHBondContact O-N 3.33Å; A117-Q121 VanDerWaalsContact O-N 3.08Å
118	L	90.9	Very high	91.7	Very high	95 Å²	95	82.6 Å²	82.6	50%	0.497	43%	0.427	S	S	.	.	H	α-helix	trans	-70.4	-51.1	174.2	-169.7	138.6	0	0	0	110.8	L114 L115 Q116 L120 Q121 D122	L114-L118 VanDerWaalsContact O-CB 3.3Å; L114-L118 WeakPolarHBondContact O-CB 3.14Å; L114-L118 PolarHBondContact O-N 2.85Å; L115-L118 PolarHBondContact O-N 3.4Å; Q116-L118 PolarHBondContact O-N 3.39Å; L118-L120 VanDerWaalsContact C-N 3.32Å; L118-L120 PolarHBondContact O-N 3.5Å; L118-Q121 CarbonylContact O-C 3.6Å; L118-Q121 WeakPolarHBondContact O-CA 3.3Å; L118-Q121 WeakPolarHBondContact O-CB 3.38Å; L118-Q121 PolarHBondContact O-N 2.94Å; L118-D122 WeakPolarHBondContact CD2-OD2 3.47Å; L118-D122 PolarHBondContact O-N 2.97Å
119	K	93.7	Very high	91.4	Very high	139 Å²	139	81.6 Å²	81.6	60%	0.604	43%	0.427	S	S	*	.	H	α-helix	trans	-54.6	-46.8	174.5	-72.2	177	-179	-178.8	0	112.4	L115 Q116 Q121 D122 D123	L115-K119 WeakPolarHBondContact O-CG 3.45Å; L115-K119 PolarHBondContact O-N 2.93Å; Q116-K119 PolarHBondContact O-N 3.08Å; K119-Q121 VanDerWaalsContact C-N 3.27Å; K119-Q121 PolarHBondContact O-N 3.26Å; K119-D122 PolarHBondContact O-N 3.41Å; K119-D122 VanDerWaalsContact O-N 3.14Å; K119-D123 PolarHBondContact O-N 2.93Å
120	L	90.5	Very high	91.4	Very high	108 Å²	108	87 Å²	87	57%	0.565	44%	0.437	S	S	*	.	H	α-helix	trans	-66.9	-30.7	179.9	-160.9	141.2	0	0	0	111.9	Q116 L118 N124	Q116-L120 WeakPolarHBondContact O-CB 3.3Å; Q116-L120 PolarHBondContact O-N 3.04Å; L118-L120 VanDerWaalsContact C-N 3.32Å; L118-L120 PolarHBondContact O-N 3.5Å; L120-N124 WeakPolarHBondContact CD2-ND2 3.42Å; L120-N124 VanDerWaalsContact O-CB 3.25Å; L120-N124 WeakPolarHBondContact O-CB 3.24Å; L120-N124 PolarHBondContact O-N 3.39Å; L120-N124 PolarHBondContact O-ND2 3.15Å; L120-N124 VanDerWaalsContact O-ND2 3.08Å
121	Q	88.7	Confident	91.2	Very high	63 Å²	63	90.9 Å²	90.9	29%	0.294	45%	0.453	S	S	.	.	H	α-helix	trans	-70.8	-38.7	171.9	-175.1	-176.8	-38.1	0	0	111.8	A117 L118 K119 N124 Y125	A117-Q121 VanDerWaalsContact O-CB 3.3Å; A117-Q121 WeakPolarHBondContact O-CB 3.38Å; A117-Q121 PolarHBondContact O-N 3.33Å; A117-Q121 VanDerWaalsContact O-N 3.08Å; L118-Q121 CarbonylContact O-C 3.6Å; L118-Q121 WeakPolarHBondContact O-CA 3.3Å; L118-Q121 WeakPolarHBondContact O-CB 3.38Å; L118-Q121 PolarHBondContact O-N 2.94Å; K119-Q121 VanDerWaalsContact C-N 3.27Å; K119-Q121 PolarHBondContact O-N 3.26Å; Q121-N124 PolarHBondContact O-N 2.99Å; Q121-Y125 VanDerWaalsContact O-CB 3.29Å; Q121-Y125 WeakPolarHBondContact O-CB 3.39Å; Q121-Y125 PolarHBondContact O-N 3.06Å
122	D	89.6	Confident	90.9	Very high	85 Å²	85	89 Å²	89	46%	0.455	44%	0.444	S	S	.	.	H	α-helix	trans	-66.1	-43.9	177.2	-65.9	-22.7	0	0	0	111.3	L118 K119 Y125 A126	L118-D122 WeakPolarHBondContact CD2-OD2 3.47Å; L118-D122 PolarHBondContact O-N 2.97Å; K119-D122 PolarHBondContact O-N 3.41Å; K119-D122 VanDerWaalsContact O-N 3.14Å; D122-Y125 WeakPolarHBondContact O-CB 3.48Å; D122-Y125 PolarHBondContact O-N 3.23Å; D122-A126 PolarHBondContact O-N 3.15Å
123	D	91.7	Very high	90.7	Very high	115 Å²	115	87.1 Å²	87.1	62%	0.615	44%	0.441	S	S	*	.	H	α-helix	trans	-61.7	-44.8	174.1	-73	-26	0	0	0	111.6	K119 Y125 A126 S127	K119-D123 PolarHBondContact O-N 2.93Å; D123-Y125 VanDerWaalsContact C-N 3.33Å; D123-Y125 PolarHBondContact O-N 3.35Å; D123-A126 PolarHBondContact O-N 2.82Å; D123-S127 WeakPolarHBondContact O-CB 3.47Å; D123-S127 PolarHBondContact O-N 2.92Å
124	N	88.6	Confident	90.5	Very high	89 Å²	89	87.6 Å²	87.6	48%	0.476	44%	0.443	S	S	.	.	H	α-helix	trans	-62.7	-40.4	174.5	-78.1	-26.1	0	0	0	111.4	L120 Q121 S127 T128	L120-N124 WeakPolarHBondContact CD2-ND2 3.42Å; L120-N124 VanDerWaalsContact O-CB 3.25Å; L120-N124 WeakPolarHBondContact O-CB 3.24Å; L120-N124 PolarHBondContact O-N 3.39Å; L120-N124 PolarHBondContact O-ND2 3.15Å; L120-N124 VanDerWaalsContact O-ND2 3.08Å; Q121-N124 PolarHBondContact O-N 2.99Å; N124-S127 PolarHBondContact O-N 3.36Å; N124-T128 WeakPolarHBondContact O-CG2 3.24Å; N124-T128 PolarHBondContact O-N 2.92Å; N124-T128 PolarHBondContact O-OG1 3.12Å
125	Y	86.7	Confident	90.3	Very high	140 Å²	140	88.2 Å²	88.2	55%	0.549	45%	0.445	S	S	.	.	H	α-helix	trans	-62.6	-48.3	177.5	-179.9	-106.5	0	0	0	110.8	Q121 D122 D123 S127 T128 L129	Q121-Y125 VanDerWaalsContact O-CB 3.29Å; Q121-Y125 WeakPolarHBondContact O-CB 3.39Å; Q121-Y125 PolarHBondContact O-N 3.06Å; D122-Y125 WeakPolarHBondContact O-CB 3.48Å; D122-Y125 PolarHBondContact O-N 3.23Å; D123-Y125 VanDerWaalsContact C-N 3.33Å; D123-Y125 PolarHBondContact O-N 3.35Å; Y125-S127 VanDerWaalsContact C-N 3.3Å; Y125-S127 PolarHBondContact O-N 3.43Å; Y125-T128 WeakPolarHBondContact CA-OG1 3.34Å; Y125-T128 PolarHBondContact O-N 3.2Å; Y125-T128 VanDerWaalsContact O-N 3.17Å; Y125-T128 PolarHBondContact O-OG1 2.89Å; Y125-L129 HydrophobicContact CE1-CD1 4.41Å; Y125-L129 HydrophobicContact CE2-CD1 4.48Å; Y125-L129 WeakPolarHBondContact O-CB 3.41Å; Y125-L129 PolarHBondContact O-N 2.91Å
126	A	92.9	Very high	90.1	Very high	38 Å²	38	87.9 Å²	87.9	31%	0.314	45%	0.446	S	S	.	.	H	α-helix	trans	-60.6	-38.8	175.9	0	0	0	0	0	112.4	D122 D123 R130	D122-A126 PolarHBondContact O-N 3.15Å; D123-A126 PolarHBondContact O-N 2.82Å; A126-R130 PolarHBondContact O-N 3.44Å; A126-R130 VanDerWaalsContact O-N 3.16Å; A126-R130 PolarHBondContact O-NE 3.45Å
127	S	92.2	Very high	90	Very high	38 Å²	38	86.3 Å²	86.3	27%	0.266	44%	0.442	S	S	.	.	H	α-helix	trans	-66	-43.6	173.9	-174.3	0	0	0	0	112.1	D123 N124 Y125 R130 K131	D123-S127 WeakPolarHBondContact O-CB 3.47Å; D123-S127 PolarHBondContact O-N 2.92Å; N124-S127 PolarHBondContact O-N 3.36Å; Y125-S127 VanDerWaalsContact C-N 3.3Å; Y125-S127 PolarHBondContact O-N 3.43Å; S127-R130 PolarHBondContact O-N 3.27Å; S127-K131 WeakPolarHBondContact O-CG 3.32Å; S127-K131 PolarHBondContact O-N 2.93Å
128	T	88.4	Confident	90	Very high	36 Å²	36	88.1 Å²	88.1	22%	0.221	45%	0.45	C	S	.	.	H	α-helix	trans	-65	-38.8	176.5	53.1	0	0	0	0	112.2	N124 Y125 R130 K131 N132	N124-T128 WeakPolarHBondContact O-CG2 3.24Å; N124-T128 PolarHBondContact O-N 2.92Å; N124-T128 PolarHBondContact O-OG1 3.12Å; Y125-T128 WeakPolarHBondContact CA-OG1 3.34Å; Y125-T128 PolarHBondContact O-N 3.2Å; Y125-T128 VanDerWaalsContact O-N 3.17Å; Y125-T128 PolarHBondContact O-OG1 2.89Å; T128-R130 VanDerWaalsContact C-N 3.33Å; T128-R130 PolarHBondContact O-N 2.83Å; T128-K131 PolarHBondContact O-N 2.86Å; T128-N132 WeakPolarHBondContact O-CB 3.3Å; T128-N132 PolarHBondContact O-N 3.11Å; T128-N132 PolarHBondContact O-OD1 3.39Å
129	L	88.2	Confident	89.8	Confident	95 Å²	95	86 Å²	86	50%	0.497	44%	0.438	S	S	.	.	H	α-helix	trans	-62.3	-43.2	177.6	-152.2	84.3	0	0	0	111	Y125 N132 A133	Y125-L129 HydrophobicContact CE1-CD1 4.41Å; Y125-L129 HydrophobicContact CE2-CD1 4.48Å; Y125-L129 WeakPolarHBondContact O-CB 3.41Å; Y125-L129 PolarHBondContact O-N 2.91Å; L129-N132 PolarHBondContact O-N 3.37Å; L129-A133 PolarHBondContact O-N 3.25Å
130	R	93.3	Very high	89.7	Confident	161 Å²	161	83 Å²	83	61%	0.608	43%	0.428	S	S	*	.	H	α-helix	trans	-61.1	-49.2	174.1	-83.1	-178.3	-95.7	152.9	-10.1	112.3	A126 S127 T128 N132 A133 E134	A126-R130 PolarHBondContact O-N 3.44Å; A126-R130 VanDerWaalsContact O-N 3.16Å; A126-R130 PolarHBondContact O-NE 3.45Å; S127-R130 PolarHBondContact O-N 3.27Å; T128-R130 VanDerWaalsContact C-N 3.33Å; T128-R130 PolarHBondContact O-N 2.83Å; R130-N132 VanDerWaalsContact C-N 3.31Å; R130-N132 PolarHBondContact O-N 2.87Å; R130-A133 WeakPolarHBondContact O-CB 3.48Å; R130-A133 PolarHBondContact O-N 3.47Å; R130-A133 VanDerWaalsContact O-N 3.17Å; R130-E134 WeakPolarHBondContact O-CG 3.46Å; R130-E134 PolarHBondContact O-N 2.74Å
131	K	89.8	Confident	89.6	Confident	106 Å²	106	79.9 Å²	79.9	46%	0.461	42%	0.418	S	S	.	.	H	α-helix	trans	-60.8	-39.7	177	-71.5	176.4	-178.9	176.5	0	112.3	S127 T128 A133 E134 E135	S127-K131 WeakPolarHBondContact O-CG 3.32Å; S127-K131 PolarHBondContact O-N 2.93Å; T128-K131 PolarHBondContact O-N 2.86Å; K131-A133 VanDerWaalsContact C-N 3.35Å; K131-E134 PolarHBondContact O-N 3.37Å; K131-E135 WeakPolarHBondContact O-CB 3.14Å; K131-E135 WeakPolarHBondContact O-CG 3.43Å; K131-E135 PolarHBondContact O-N 2.84Å
132	N	87.7	Confident	89.6	Confident	51 Å²	51	82.1 Å²	82.1	27%	0.273	42%	0.424	S	S	.	.	H	α-helix	trans	-66.6	-38.8	177.4	-68.3	-0.5	0	0	0	111	T128 L129 R130 E135 V136	T128-N132 WeakPolarHBondContact O-CB 3.3Å; T128-N132 PolarHBondContact O-N 3.11Å; T128-N132 PolarHBondContact O-OD1 3.39Å; L129-N132 PolarHBondContact O-N 3.37Å; R130-N132 VanDerWaalsContact C-N 3.31Å; R130-N132 PolarHBondContact O-N 2.87Å; N132-E135 PolarHBondContact O-N 3.01Å; N132-V136 VanDerWaalsContact O-CG2 3.31Å; N132-V136 WeakPolarHBondContact O-CG2 3.31Å; N132-V136 PolarHBondContact O-N 2.97Å
133	A	90.4	Very high	89.6	Confident	51 Å²	51	82.3 Å²	82.3	42%	0.421	42%	0.423	S	S	.	.	H	α-helix	trans	-63.3	-43.2	174	0	0	0	0	0	111.8	L129 R130 K131 E135 V136 N137	L129-A133 PolarHBondContact O-N 3.25Å; R130-A133 WeakPolarHBondContact O-CB 3.48Å; R130-A133 PolarHBondContact O-N 3.47Å; R130-A133 VanDerWaalsContact O-N 3.17Å; K131-A133 VanDerWaalsContact C-N 3.35Å; A133-E135 PolarHBondContact O-N 3.25Å; A133-V136 PolarHBondContact O-N 3.38Å; A133-N137 WeakPolarHBondContact O-CB 3.4Å; A133-N137 PolarHBondContact O-N 3.08Å; A133-N137 PolarHBondContact O-ND2 2.73Å
134	E	90.4	Very high	89.6	Confident	120 Å²	120	81.2 Å²	81.2	56%	0.561	41%	0.414	S	S	*	.	H	α-helix	trans	-60.2	-43.6	173.8	-70	164.6	-169.2	0	0	111.9	R130 K131 N137 V138	R130-E134 WeakPolarHBondContact O-CG 3.46Å; R130-E134 PolarHBondContact O-N 2.74Å; K131-E134 PolarHBondContact O-N 3.37Å; E134-N137 WeakPolarHBondContact O-CB 3.48Å; E134-N137 PolarHBondContact O-N 3.5Å; E134-V138 WeakPolarHBondContact O-CG2 3.42Å; E134-V138 PolarHBondContact O-N 3.45Å
135	E	86.9	Confident	89.7	Confident	68 Å²	68	82.5 Å²	82.5	32%	0.318	42%	0.417	S	S	.	.	H	α-helix	trans	-64.9	-41.5	177.7	-75.8	171.2	178.6	0	0	112.6	K38 K131 N132 A133 N137 V138 M139	K38-E135 IonicContact NZ-OE1 3.79Å; K38-E135 PolarHBondContact NZ-OE1 2.93Å; K38-E135 IonicContact NZ-OE2 2.89Å; K38-E135 PolarHBondContact NZ-OE2 3.35Å; K131-E135 WeakPolarHBondContact O-CB 3.14Å; K131-E135 WeakPolarHBondContact O-CG 3.43Å; K131-E135 PolarHBondContact O-N 2.84Å; N132-E135 PolarHBondContact O-N 3.01Å; A133-E135 PolarHBondContact O-N 3.25Å; E135-N137 VanDerWaalsContact C-N 3.34Å; E135-V138 PolarHBondContact O-N 3.45Å; E135-M139 PolarHBondContact O-N 3.48Å
136	V	88.8	Confident	89.8	Confident	82 Å²	82	78.2 Å²	78.2	50%	0.497	40%	0.402	S	S	.	.	H	α-helix	trans	-61.7	-43.6	172.8	169.4	0	0	0	0	110.5	N132 A133 V138 M139 I140	N132-V136 VanDerWaalsContact O-CG2 3.31Å; N132-V136 WeakPolarHBondContact O-CG2 3.31Å; N132-V136 PolarHBondContact O-N 2.97Å; A133-V136 PolarHBondContact O-N 3.38Å; V136-V138 VanDerWaalsContact C-N 3.33Å; V136-V138 PolarHBondContact O-N 2.98Å; V136-M139 WeakPolarHBondContact O-CB 3.07Å; V136-M139 PolarHBondContact O-N 3.21Å; V136-M139 VanDerWaalsContact O-N 3.16Å; V136-I140 HydrophobicContact CG1-CD1 3.78Å; V136-I140 HydrophobicContact CG1-CG1 4.36Å; V136-I140 VanDerWaalsContact O-CG1 3.29Å; V136-I140 WeakPolarHBondContact O-CG1 3.29Å; V136-I140 PolarHBondContact O-N 3.24Å
137	N	90.4	Very high	89.7	Confident	103 Å²	103	81.6 Å²	81.6	55%	0.551	41%	0.414	S	S	*	.	H	α-helix	trans	-61.8	-40.2	176.5	-70	-24	0	0	0	112.1	A133 E134 E135 I140 A141	A133-N137 WeakPolarHBondContact O-CB 3.4Å; A133-N137 PolarHBondContact O-N 3.08Å; A133-N137 PolarHBondContact O-ND2 2.73Å; E134-N137 WeakPolarHBondContact O-CB 3.48Å; E134-N137 PolarHBondContact O-N 3.5Å; E135-N137 VanDerWaalsContact C-N 3.34Å; N137-I140 PolarHBondContact O-N 2.94Å; N137-A141 WeakPolarHBondContact O-CB 3.39Å; N137-A141 PolarHBondContact O-N 2.96Å
138	V	89.2	Confident	89.7	Confident	68 Å²	68	85.9 Å²	85.9	41%	0.412	43%	0.428	S	S	.	.	H	α-helix	trans	-65.4	-39.3	174.7	171.9	0	0	0	0	111.4	E134 E135 V136 A141 R142	E134-V138 WeakPolarHBondContact O-CG2 3.42Å; E134-V138 PolarHBondContact O-N 3.45Å; E135-V138 PolarHBondContact O-N 3.45Å; V136-V138 VanDerWaalsContact C-N 3.33Å; V136-V138 PolarHBondContact O-N 2.98Å; V138-A141 PolarHBondContact O-N 3.37Å; V138-R142 WeakPolarHBondContact O-CG 3.44Å; V138-R142 PolarHBondContact O-N 3.08Å
139	M	88.4	Confident	89.8	Confident	50 Å²	50	88.5 Å²	88.5	25%	0.246	44%	0.44	C	S	.	.	H	α-helix	trans	-64.1	-44.6	175.3	-175.8	174.8	-78	0	0	111.4	T31 Q32 E135 V136 R142 M143	T31-M139 WeakPolarHBondContact OG1-CE 3.36Å; Q32-M139 HydrophobicContact CB-CE 4.19Å; E135-M139 PolarHBondContact O-N 3.48Å; V136-M139 WeakPolarHBondContact O-CB 3.07Å; V136-M139 PolarHBondContact O-N 3.21Å; V136-M139 VanDerWaalsContact O-N 3.16Å; M139-R142 PolarHBondContact O-N 2.78Å; M139-M143 HydrophobicContact CG-SD 4.09Å; M139-M143 WeakPolarHBondContact O-CG 3.46Å; M139-M143 PolarHBondContact O-N 3.14Å
140	I	89.8	Confident	89.9	Confident	77 Å²	77	85.1 Å²	85.1	40%	0.395	42%	0.422	S	S	.	.	H	α-helix	trans	-58.5	-50.3	174.9	-68.4	166	0	0	0	110.1	V136 N137 R142 M143 E144	V136-I140 HydrophobicContact CG1-CD1 3.78Å; V136-I140 HydrophobicContact CG1-CG1 4.36Å; V136-I140 VanDerWaalsContact O-CG1 3.29Å; V136-I140 WeakPolarHBondContact O-CG1 3.29Å; V136-I140 PolarHBondContact O-N 3.24Å; N137-I140 PolarHBondContact O-N 2.94Å; I140-R142 VanDerWaalsContact C-N 3.31Å; I140-R142 PolarHBondContact O-N 3.48Å; I140-M143 PolarHBondContact O-N 2.9Å; I140-M143 VanDerWaalsContact O-N 3.16Å; I140-E144 HydrophobicContact CG2-CG 4.38Å; I140-E144 WeakPolarHBondContact O-CG 3.47Å; I140-E144 PolarHBondContact O-N 3.37Å
141	A	90.2	Very high	89.7	Confident	42 Å²	42	80 Å²	80	35%	0.347	41%	0.408	S	S	.	.	H	α-helix	trans	-57.5	-42.7	179	0	0	0	0	0	112.3	N137 V138 E144 E145	N137-A141 WeakPolarHBondContact O-CB 3.39Å; N137-A141 PolarHBondContact O-N 2.96Å; V138-A141 PolarHBondContact O-N 3.37Å; A141-E144 PolarHBondContact O-N 3.04Å; A141-E145 WeakPolarHBondContact O-CB 3.48Å; A141-E145 WeakPolarHBondContact O-CG 3.4Å; A141-E145 PolarHBondContact O-N 3.06Å
142	R	88.5	Confident	89.9	Confident	110 Å²	110	80.8 Å²	80.8	42%	0.415	41%	0.412	S	S	.	.	H	α-helix	trans	-66.6	-40.5	176.7	-74.4	174.2	173.6	163.9	-3.4	112.8	V138 M139 I140 E145 Q146	V138-R142 WeakPolarHBondContact O-CG 3.44Å; V138-R142 PolarHBondContact O-N 3.08Å; M139-R142 PolarHBondContact O-N 2.78Å; I140-R142 VanDerWaalsContact C-N 3.31Å; I140-R142 PolarHBondContact O-N 3.48Å; R142-E145 PolarHBondContact O-N 3.19Å; R142-Q146 PolarHBondContact O-N 3.44Å
143	M	90	Very high	90	Very high	89 Å²	89	79.5 Å²	79.5	44%	0.438	41%	0.406	S	S	.	.	H	α-helix	trans	-65.8	-40.1	175.4	-72.4	175.5	67.3	0	0	111.5	V28 M139 I140 Q146 I147	V28-M143 HydrophobicContact CG1-CG 4.24Å; V28-M143 HydrophobicContact CG2-CG 4.07Å; M139-M143 HydrophobicContact CG-SD 4.09Å; M139-M143 WeakPolarHBondContact O-CG 3.46Å; M139-M143 PolarHBondContact O-N 3.14Å; I140-M143 PolarHBondContact O-N 2.9Å; I140-M143 VanDerWaalsContact O-N 3.16Å; M143-Q146 WeakPolarHBondContact O-CB 3.36Å; M143-Q146 PolarHBondContact O-N 3.35Å; M143-I147 WeakPolarHBondContact O-CG1 3.33Å; M143-I147 PolarHBondContact O-N 2.83Å
144	E	91.3	Very high	89.8	Confident	92 Å²	92	81.5 Å²	81.5	43%	0.43	40%	0.403	S	S	.	.	H	α-helix	trans	-63.3	-42.7	173.3	-73.8	-177.8	-170.1	0	0	112.2	I140 A141 I147 K148	I140-E144 HydrophobicContact CG2-CG 4.38Å; I140-E144 WeakPolarHBondContact O-CG 3.47Å; I140-E144 PolarHBondContact O-N 3.37Å; A141-E144 PolarHBondContact O-N 3.04Å; E144-I147 PolarHBondContact O-N 3.32Å; E144-K148 WeakPolarHBondContact O-CB 3.29Å; E144-K148 VanDerWaalsContact O-CG 3.22Å; E144-K148 WeakPolarHBondContact O-CG 3.4Å; E144-K148 PolarHBondContact O-N 3.04Å; E144-K148 IonicContact OE2-NZ 2.65Å; E144-K148 PolarHBondContact OE2-NZ 3.39Å
145	E	90.1	Very high	89.9	Confident	115 Å²	115	84 Å²	84	54%	0.537	41%	0.407	S	S	.	.	H	α-helix	trans	-61	-42.9	174	-77.8	175.6	179.7	0	0	111.6	A141 R142 I147 K148 L149	A141-E145 WeakPolarHBondContact O-CB 3.48Å; A141-E145 WeakPolarHBondContact O-CG 3.4Å; A141-E145 PolarHBondContact O-N 3.06Å; R142-E145 PolarHBondContact O-N 3.19Å; E145-I147 PolarHBondContact O-N 2.94Å; E145-K148 PolarHBondContact O-N 2.94Å; E145-L149 WeakPolarHBondContact O-CB 3.47Å; E145-L149 WeakPolarHBondContact O-CG 3.48Å; E145-L149 PolarHBondContact O-N 3.33Å
146	Q	89.7	Confident	90.1	Very high	50 Å²	50	85 Å²	85	23%	0.234	41%	0.412	C	S	.	.	H	α-helix	trans	-57.6	-47	173	167.1	173.2	6.9	0	0	111.5	L24 R142 M143 L149 M150	L24-Q146 HydrophobicContact CB-CG 3.88Å; L24-Q146 HydrophobicContact CD1-CG 4.39Å; R142-Q146 PolarHBondContact O-N 3.44Å; M143-Q146 WeakPolarHBondContact O-CB 3.36Å; M143-Q146 PolarHBondContact O-N 3.35Å; Q146-L149 PolarHBondContact O-N 3.34Å; Q146-M150 WeakPolarHBondContact O-CB 3.37Å; Q146-M150 PolarHBondContact O-N 2.89Å
147	I	89.6	Confident	90	Very high	109 Å²	109	82 Å²	82	56%	0.559	39%	0.392	S	S	*	.	H	α-helix	trans	-64.2	-43.2	178.5	-68.2	165.8	0	0	0	110.6	M143 E144 E145 M150 T151	M143-I147 WeakPolarHBondContact O-CG1 3.33Å; M143-I147 PolarHBondContact O-N 2.83Å; E144-I147 PolarHBondContact O-N 3.32Å; E145-I147 PolarHBondContact O-N 2.94Å; I147-M150 PolarHBondContact O-N 2.92Å; I147-T151 VanDerWaalsContact O-CB 3.27Å; I147-T151 WeakPolarHBondContact O-CB 3.32Å; I147-T151 PolarHBondContact O-N 3.3Å; I147-T151 PolarHBondContact O-OG1 3.27Å
148	K	93.1	Very high	89.8	Confident	129 Å²	129	81.9 Å²	81.9	56%	0.561	39%	0.391	S	S	*	.	H	α-helix	trans	-61.6	-47.3	177.8	-74.7	164.7	-175	159.5	0	111.3	E144 E145 T151 K152	E144-K148 WeakPolarHBondContact O-CB 3.29Å; E144-K148 VanDerWaalsContact O-CG 3.22Å; E144-K148 WeakPolarHBondContact O-CG 3.4Å; E144-K148 PolarHBondContact O-N 3.04Å; E144-K148 IonicContact OE2-NZ 2.65Å; E144-K148 PolarHBondContact OE2-NZ 3.39Å; E145-K148 PolarHBondContact O-N 2.94Å; K148-T151 PolarHBondContact O-N 3.45Å; K148-K152 WeakPolarHBondContact O-CB 3.3Å; K148-K152 PolarHBondContact O-N 2.95Å
149	L	91.1	Very high	89.9	Confident	90 Å²	90	81 Å²	81	47%	0.471	39%	0.391	S	S	.	.	H	α-helix	trans	-62.3	-47.8	177.2	-81.2	158.9	0	0	0	111.4	L24 E145 Q146 T151 K152 V153	L24-L149 HydrophobicContact CD1-CB 4.41Å; L24-L149 HydrophobicContact CD2-CD1 4.04Å; E145-L149 WeakPolarHBondContact O-CB 3.47Å; E145-L149 WeakPolarHBondContact O-CG 3.48Å; E145-L149 PolarHBondContact O-N 3.33Å; Q146-L149 PolarHBondContact O-N 3.34Å; L149-T151 VanDerWaalsContact C-N 3.34Å; L149-T151 PolarHBondContact O-N 2.98Å; L149-K152 WeakPolarHBondContact O-CB 3.25Å; L149-K152 PolarHBondContact O-N 3.46Å; L149-V153 WeakPolarHBondContact O-CG2 3.35Å; L149-V153 PolarHBondContact O-N 3.08Å
150	M	88.3	Confident	89.9	Confident	24 Å²	24	82.6 Å²	82.6	12%	0.118	40%	0.398	C	S	.	.	H	α-helix	trans	-59.8	-45.6	178	-171.4	61	62.2	0	0	111.6	Q21 L24 Q146 I147 K152 V153 Y154	Q21-M150 HydrophobicContact CB-CE 4.19Å; Q21-M150 HydrophobicContact CG-CE 3.43Å; Q21-M150 VanDerWaalsContact CG-CE 3.43Å; Q21-M150 HydrophobicContact CG-SD 4.04Å; L24-M150 HydrophobicContact CD1-CE 3.64Å; Q146-M150 WeakPolarHBondContact O-CB 3.37Å; Q146-M150 PolarHBondContact O-N 2.89Å; I147-M150 PolarHBondContact O-N 2.92Å; M150-K152 VanDerWaalsContact C-N 3.31Å; M150-K152 PolarHBondContact O-N 3.31Å; M150-V153 PolarHBondContact O-N 3.34Å; M150-Y154 HydrophobicContact CG-CD2 3.79Å; M150-Y154 HydrophobicContact CG-CE2 3.29Å; M150-Y154 WeakPolarHBondContact O-CD2 3.3Å; M150-Y154 PolarHBondContact O-N 3.17Å; M150-Y154 HydrophobicContact SD-CD2 4.2Å; M150-Y154 HydrophobicContact SD-CE2 3.53Å; M150-Y154 VanDerWaalsContact SD-CE2 3.53Å
151	T	90.9	Very high	89.7	Confident	53 Å²	53	81.8 Å²	81.8	33%	0.325	39%	0.394	S	S	.	.	H	α-helix	trans	-61.5	-40.2	176.9	-57.4	0	0	0	0	111.5	I147 K148 L149 R155	I147-T151 VanDerWaalsContact O-CB 3.27Å; I147-T151 WeakPolarHBondContact O-CB 3.32Å; I147-T151 PolarHBondContact O-N 3.3Å; I147-T151 PolarHBondContact O-OG1 3.27Å; K148-T151 PolarHBondContact O-N 3.45Å; L149-T151 VanDerWaalsContact C-N 3.34Å; L149-T151 PolarHBondContact O-N 2.98Å; T151-R155 WeakPolarHBondContact O-CB 3.32Å; T151-R155 VanDerWaalsContact O-CG 3.28Å; T151-R155 WeakPolarHBondContact O-CG 3.15Å; T151-R155 PolarHBondContact O-N 3.01Å
152	K	93.6	Very high	89.5	Confident	123 Å²	123	84.8 Å²	84.8	54%	0.535	40%	0.401	S	S	.	.	H	α-helix	trans	-63.5	-48.1	177.4	-177.1	178.9	172.2	-177.5	0	111.3	K148 L149 M150 Y154 R155 E156	K148-K152 WeakPolarHBondContact O-CB 3.3Å; K148-K152 PolarHBondContact O-N 2.95Å; L149-K152 WeakPolarHBondContact O-CB 3.25Å; L149-K152 PolarHBondContact O-N 3.46Å; M150-K152 VanDerWaalsContact C-N 3.31Å; M150-K152 PolarHBondContact O-N 3.31Å; K152-Y154 PolarHBondContact O-N 3.11Å; K152-R155 PolarHBondContact O-N 2.98Å; K152-E156 WeakPolarHBondContact CE-OE1 3.23Å; K152-E156 WeakPolarHBondContact CG-OE1 3.42Å; K152-E156 IonicContact NZ-OE1 3.04Å; K152-E156 WeakPolarHBondContact O-CG 3.31Å; K152-E156 PolarHBondContact O-N 3.48Å
153	V	89.3	Confident	89.7	Confident	25 Å²	25	82 Å²	82	15%	0.152	40%	0.399	C	S	.	.	H	α-helix	trans	-61.3	-45.7	178.2	173.8	0	0	0	0	111	L20 L149 M150 R155 E156 E157	L20-V153 HydrophobicContact CD1-CG1 3.86Å; L20-V153 HydrophobicContact CD1-CG2 4.12Å; L149-V153 WeakPolarHBondContact O-CG2 3.35Å; L149-V153 PolarHBondContact O-N 3.08Å; M150-V153 PolarHBondContact O-N 3.34Å; V153-R155 VanDerWaalsContact C-N 3.32Å; V153-R155 PolarHBondContact O-N 2.94Å; V153-E156 PolarHBondContact O-N 2.82Å; V153-E157 HydrophobicContact CG1-CG 4.3Å; V153-E157 WeakPolarHBondContact O-CG 3.3Å; V153-E157 PolarHBondContact O-N 3.1Å
154	Y	86.8	Confident	89.4	Confident	92 Å²	92	81.3 Å²	81.3	36%	0.361	39%	0.391	S	S	.	.	H	α-helix	trans	-60.5	-41.2	176.9	-73.4	-50.6	0	0	0	112.7	I17 Q21 M150 K152 E156 E157 L158	I17-Y154 HydrophobicContact CD1-CD1 4.13Å; I17-Y154 HydrophobicContact CD1-CE1 3.89Å; I17-Y154 HydrophobicContact CG1-CD1 4.47Å; I17-Y154 HydrophobicContact CG1-CE1 4.11Å; I17-Y154 HydrophobicContact CG2-CE1 3.63Å; Q21-Y154 PolarHBondContact NE2-OH 2.65Å; M150-Y154 HydrophobicContact CG-CD2 3.79Å; M150-Y154 HydrophobicContact CG-CE2 3.29Å; M150-Y154 WeakPolarHBondContact O-CD2 3.3Å; M150-Y154 PolarHBondContact O-N 3.17Å; M150-Y154 HydrophobicContact SD-CD2 4.2Å; M150-Y154 HydrophobicContact SD-CE2 3.53Å; M150-Y154 VanDerWaalsContact SD-CE2 3.53Å; K152-Y154 PolarHBondContact O-N 3.11Å; Y154-E156 VanDerWaalsContact C-N 3.33Å; Y154-E156 PolarHBondContact O-N 3.29Å; Y154-E157 PolarHBondContact O-N 3.4Å; Y154-L158 WeakPolarHBondContact O-CB 3.41Å; Y154-L158 VanDerWaalsContact O-CG 3.25Å; Y154-L158 WeakPolarHBondContact O-CG 3.32Å; Y154-L158 PolarHBondContact O-N 3.42Å
155	R	92.9	Very high	89	Confident	173 Å²	173	81 Å²	81	65%	0.653	39%	0.389	S	S	*	.	H	α-helix	trans	-63.5	-40.1	175.8	-74.8	175.2	-177.7	167.2	2.5	112	T151 K152 V153 A159	T151-R155 WeakPolarHBondContact O-CB 3.32Å; T151-R155 VanDerWaalsContact O-CG 3.28Å; T151-R155 WeakPolarHBondContact O-CG 3.15Å; T151-R155 PolarHBondContact O-N 3.01Å; K152-R155 PolarHBondContact O-N 2.98Å; V153-R155 VanDerWaalsContact C-N 3.32Å; V153-R155 PolarHBondContact O-N 2.94Å; R155-A159 WeakPolarHBondContact O-CB 3.2Å; R155-A159 PolarHBondContact O-N 3.04Å
156	E	90.7	Very high	89.1	Confident	89 Å²	89	83 Å²	83	42%	0.416	39%	0.392	S	S	.	.	H	α-helix	trans	-66.9	-44	177.8	-73.3	170.4	-178.4	0	0	111.8	K152 V153 Y154 A159 Q160	K152-E156 WeakPolarHBondContact CE-OE1 3.23Å; K152-E156 WeakPolarHBondContact CG-OE1 3.42Å; K152-E156 IonicContact NZ-OE1 3.04Å; K152-E156 WeakPolarHBondContact O-CG 3.31Å; K152-E156 PolarHBondContact O-N 3.48Å; V153-E156 PolarHBondContact O-N 2.82Å; Y154-E156 VanDerWaalsContact C-N 3.33Å; Y154-E156 PolarHBondContact O-N 3.29Å; E156-A159 PolarHBondContact O-N 3.33Å; E156-Q160 VanDerWaalsContact O-CG 3.3Å; E156-Q160 WeakPolarHBondContact O-CG 3.15Å; E156-Q160 PolarHBondContact O-N 3.38Å
157	E	85.3	Confident	89.3	Confident	18 Å²	18	85.9 Å²	85.9	8%	0.084	41%	0.406	C	S	.	.	H	α-helix	trans	-63.6	-43	175.7	-68.2	-69.8	151.8	0	0	111.3	S13 R16 V153 Y154 A159 Q160 I161	S13-E157 WeakPolarHBondContact CB-OE2 3.5Å; S13-E157 PolarHBondContact OG-OE2 3.11Å; R16-E157 IonicContact NE-OE1 3.52Å; V153-E157 HydrophobicContact CG1-CG 4.3Å; V153-E157 WeakPolarHBondContact O-CG 3.3Å; V153-E157 PolarHBondContact O-N 3.1Å; Y154-E157 PolarHBondContact O-N 3.4Å; E157-A159 PolarHBondContact O-N 2.93Å; E157-Q160 PolarHBondContact O-N 3.2Å; E157-I161 VanDerWaalsContact O-CG1 3.29Å; E157-I161 WeakPolarHBondContact O-CG1 3.26Å; E157-I161 PolarHBondContact O-N 3.23Å
158	L	87.5	Confident	89.2	Confident	101 Å²	101	84.2 Å²	84.2	53%	0.529	40%	0.395	S	S	.	.	H	α-helix	trans	-60.4	-46	174.1	-74.3	171	0	0	0	111.9	Y154 Q160 I161 E162	Y154-L158 WeakPolarHBondContact O-CB 3.41Å; Y154-L158 VanDerWaalsContact O-CG 3.25Å; Y154-L158 WeakPolarHBondContact O-CG 3.32Å; Y154-L158 PolarHBondContact O-N 3.42Å; L158-Q160 VanDerWaalsContact C-N 3.3Å; L158-Q160 PolarHBondContact O-N 3.4Å; L158-I161 PolarHBondContact O-N 3.28Å; L158-E162 WeakPolarHBondContact O-CG 3.2Å; L158-E162 PolarHBondContact O-N 3.04Å
159	A	91	Very high	89.1	Confident	50 Å²	50	82.7 Å²	82.7	41%	0.413	39%	0.392	S	S	.	.	H	α-helix	trans	-62.1	-37.7	177.8	0	0	0	0	0	112.2	R155 E156 E157 S163	R155-A159 WeakPolarHBondContact O-CB 3.2Å; R155-A159 PolarHBondContact O-N 3.04Å; E156-A159 PolarHBondContact O-N 3.33Å; E157-A159 PolarHBondContact O-N 2.93Å; A159-S163 VanDerWaalsContact O-CB 3.31Å; A159-S163 WeakPolarHBondContact O-CB 3.5Å; A159-S163 PolarHBondContact O-N 3.17Å
160	Q	87.6	Confident	89.3	Confident	84 Å²	84	81.6 Å²	81.6	39%	0.393	39%	0.392	S	S	.	.	H	α-helix	trans	-65.7	-42.3	174.9	-72.6	175.7	40.2	0	0	112.1	E156 E157 L158 S163 R164	E156-Q160 VanDerWaalsContact O-CG 3.3Å; E156-Q160 WeakPolarHBondContact O-CG 3.15Å; E156-Q160 PolarHBondContact O-N 3.38Å; E157-Q160 PolarHBondContact O-N 3.2Å; L158-Q160 VanDerWaalsContact C-N 3.3Å; L158-Q160 PolarHBondContact O-N 3.4Å; Q160-S163 PolarHBondContact O-N 2.97Å; Q160-R164 PolarHBondContact O-N 3.12Å; Q160-R164 VanDerWaalsContact O-N 3.09Å
161	I	85.9	Confident	89.6	Confident	59 Å²	59	84.8 Å²	84.8	30%	0.303	41%	0.409	S	S	.	.	H	α-helix	trans	-62.4	-48.4	176.4	-69.7	166	0	0	0	110.3	E157 L158 S163 R164 H165	E157-I161 VanDerWaalsContact O-CG1 3.29Å; E157-I161 WeakPolarHBondContact O-CG1 3.26Å; E157-I161 PolarHBondContact O-N 3.23Å; L158-I161 PolarHBondContact O-N 3.28Å; I161-S163 PolarHBondContact O-N 3.4Å; I161-R164 PolarHBondContact O-N 3.34Å; I161-H165 WeakPolarHBondContact CG2-CE1 3.45Å; I161-H165 WeakPolarHBondContact CG2-ND1 3.45Å; I161-H165 PolarHBondContact O-N 2.87Å; I161-H165 PolarHBondContact O-ND1 3.39Å; I161-H165 VanDerWaalsContact O-ND1 3.1Å
162	E	87.1	Confident	89.7	Confident	105 Å²	105	87 Å²	87	49%	0.491	42%	0.418	S	S	.	.	H	α-helix	trans	-63.1	-39.5	178.3	-72.9	178.7	-178.5	0	0	113.1	L158 H165 R166	L158-E162 WeakPolarHBondContact O-CG 3.2Å; L158-E162 PolarHBondContact O-N 3.04Å; E162-H165 PolarHBondContact O-N 2.57Å; E162-R166 WeakPolarHBondContact O-CB 3.26Å; E162-R166 WeakPolarHBondContact O-CG 3.47Å; E162-R166 PolarHBondContact O-N 2.84Å; E162-R166 PolarHBondContact O-NE 2.89Å; E162-R166 IonicContact OE2-NH2 3.07Å
163	S	91.3	Very high	89.8	Confident	53 Å²	53	85.5 Å²	85.5	37%	0.371	42%	0.415	S	S	.	.	H	α-helix	trans	-62.2	-44.9	176.7	-176.4	0	0	0	0	111	A159 Q160 I161 R166 Q167	A159-S163 VanDerWaalsContact O-CB 3.31Å; A159-S163 WeakPolarHBondContact O-CB 3.5Å; A159-S163 PolarHBondContact O-N 3.17Å; Q160-S163 PolarHBondContact O-N 2.97Å; I161-S163 PolarHBondContact O-N 3.4Å; S163-R166 WeakPolarHBondContact O-CB 3.35Å; S163-R166 PolarHBondContact O-N 2.99Å; S163-Q167 WeakPolarHBondContact O-CG 3.33Å; S163-Q167 PolarHBondContact O-N 2.74Å
164	R	83.9	Confident	90.1	Very high	74 Å²	74	87.3 Å²	87.3	28%	0.279	43%	0.427	S	S	.	.	H	α-helix	trans	-64.5	-44.8	175.9	-81.5	-169.8	-104.2	134.1	1.7	112.5	Q160 I161 R166 Q167 E168	Q160-R164 PolarHBondContact O-N 3.12Å; Q160-R164 VanDerWaalsContact O-N 3.09Å; I161-R164 PolarHBondContact O-N 3.34Å; R164-R166 VanDerWaalsContact C-N 3.29Å; R164-R166 PolarHBondContact O-N 3.27Å; R164-Q167 CarbonylContact O-C 3.6Å; R164-Q167 WeakPolarHBondContact O-CA 3.34Å; R164-Q167 WeakPolarHBondContact O-CB 3.42Å; R164-Q167 PolarHBondContact O-N 3.19Å; R164-E168 PolarHBondContact O-N 3.26Å
165	H	84.3	Confident	90.6	Very high	84 Å²	84	88 Å²	88	39%	0.389	43%	0.431	S	S	.	.	H	α-helix	trans	-59.8	-40.5	175.2	-75.2	128.1	0	0	0	112.2	I161 E162 Q167 E168 I169	I161-H165 WeakPolarHBondContact CG2-CE1 3.45Å; I161-H165 WeakPolarHBondContact CG2-ND1 3.45Å; I161-H165 PolarHBondContact O-N 2.87Å; I161-H165 PolarHBondContact O-ND1 3.39Å; I161-H165 VanDerWaalsContact O-ND1 3.1Å; E162-H165 PolarHBondContact O-N 2.57Å; H165-Q167 VanDerWaalsContact C-N 3.31Å; H165-Q167 PolarHBondContact O-N 3.15Å; H165-E168 IonicContact CD2-OE2 2.76Å; H165-E168 PolarHBondContact O-N 3.46Å; H165-I169 WeakPolarHBondContact O-CB 3.46Å; H165-I169 VanDerWaalsContact O-CG1 3.28Å; H165-I169 WeakPolarHBondContact O-CG1 3.49Å; H165-I169 PolarHBondContact O-N 3.17Å
166	R	92.3	Very high	90.6	Very high	158 Å²	158	84.1 Å²	84.1	60%	0.596	42%	0.423	S	S	*	.	H	α-helix	trans	-60.9	-40.5	173.2	-79.5	-177.8	-89.4	-168.1	-11.5	112.1	E162 S163 R164 S170	E162-R166 WeakPolarHBondContact O-CB 3.26Å; E162-R166 WeakPolarHBondContact O-CG 3.47Å; E162-R166 PolarHBondContact O-N 2.84Å; E162-R166 PolarHBondContact O-NE 2.89Å; E162-R166 IonicContact OE2-NH2 3.07Å; S163-R166 WeakPolarHBondContact O-CB 3.35Å; S163-R166 PolarHBondContact O-N 2.99Å; R164-R166 VanDerWaalsContact C-N 3.29Å; R164-R166 PolarHBondContact O-N 3.27Å; R166-S170 WeakPolarHBondContact O-CB 3.2Å; R166-S170 PolarHBondContact O-N 3.17Å
167	Q	92.7	Very high	90.9	Very high	111 Å²	111	86.4 Å²	86.4	52%	0.519	43%	0.432	S	S	.	.	H	α-helix	trans	-65	-44.5	174.8	-69.8	170.8	-2.4	0	0	111.9	S163 R164 H165 S170 I171	S163-Q167 WeakPolarHBondContact O-CG 3.33Å; S163-Q167 PolarHBondContact O-N 2.74Å; R164-Q167 CarbonylContact O-C 3.6Å; R164-Q167 WeakPolarHBondContact O-CA 3.34Å; R164-Q167 WeakPolarHBondContact O-CB 3.42Å; R164-Q167 PolarHBondContact O-N 3.19Å; H165-Q167 VanDerWaalsContact C-N 3.31Å; H165-Q167 PolarHBondContact O-N 3.15Å; Q167-S170 WeakPolarHBondContact O-CB 3.39Å; Q167-S170 PolarHBondContact O-N 3.32Å; Q167-I171 VanDerWaalsContact O-CG1 3.28Å; Q167-I171 WeakPolarHBondContact O-CG1 3.41Å; Q167-I171 PolarHBondContact O-N 3.31Å
168	E	88.3	Confident	91.4	Very high	73 Å²	73	90.9 Å²	90.9	34%	0.341	45%	0.453	S	S	.	.	H	α-helix	trans	-60.2	-46.6	175.9	-75.8	-175.5	166.3	0	0	112.1	K6 R164 H165 S170 I171 L172	K6-E168 VanDerWaalsContact CE-CD 3.42Å; K6-E168 WeakPolarHBondContact CE-OE1 3.38Å; K6-E168 WeakPolarHBondContact CE-OE2 3.33Å; K6-E168 IonicContact NZ-OE1 3.6Å; K6-E168 IonicContact NZ-OE2 3.11Å; K6-E168 PolarHBondContact NZ-OE2 3.22Å; R164-E168 PolarHBondContact O-N 3.26Å; H165-E168 IonicContact CD2-OE2 2.76Å; H165-E168 PolarHBondContact O-N 3.46Å; E168-S170 VanDerWaalsContact C-N 3.29Å; E168-S170 PolarHBondContact O-N 2.84Å; E168-I171 PolarHBondContact O-N 2.92Å; E168-L172 WeakPolarHBondContact O-CG 3.22Å; E168-L172 PolarHBondContact O-N 3Å
169	I	90.4	Very high	91.9	Very high	98 Å²	98	90.4 Å²	90.4	50%	0.503	45%	0.448	S	S	.	.	H	α-helix	trans	-60	-43.5	175.7	-68.5	166.4	0	0	0	110	H165 I171 L172 L173	H165-I169 WeakPolarHBondContact O-CB 3.46Å; H165-I169 VanDerWaalsContact O-CG1 3.28Å; H165-I169 WeakPolarHBondContact O-CG1 3.49Å; H165-I169 PolarHBondContact O-N 3.17Å; I169-I171 VanDerWaalsContact C-N 3.34Å; I169-I171 PolarHBondContact O-N 3.42Å; I169-L172 PolarHBondContact O-N 3.32Å; I169-L173 HydrophobicContact CG2-CD1 3.75Å; I169-L173 HydrophobicContact CG2-CG 4.21Å; I169-L173 WeakPolarHBondContact O-CB 3.27Å; I169-L173 VanDerWaalsContact O-CG 3.24Å; I169-L173 WeakPolarHBondContact O-CG 3.26Å; I169-L173 PolarHBondContact O-N 3.24Å
170	S	94.9	Very high	92.1	Very high	66 Å²	66	92.8 Å²	92.8	46%	0.462	45%	0.453	S	S	.	.	H	α-helix	trans	-59.5	-44.7	176.3	-173.7	0	0	0	0	111.7	R166 Q167 E168 L173 T174	R166-S170 WeakPolarHBondContact O-CB 3.2Å; R166-S170 PolarHBondContact O-N 3.17Å; Q167-S170 WeakPolarHBondContact O-CB 3.39Å; Q167-S170 PolarHBondContact O-N 3.32Å; E168-S170 VanDerWaalsContact C-N 3.29Å; E168-S170 PolarHBondContact O-N 2.84Å; S170-L173 PolarHBondContact O-N 2.81Å; S170-T174 WeakPolarHBondContact O-CG2 3.49Å; S170-T174 PolarHBondContact O-N 3.37Å; S170-T174 PolarHBondContact O-OG1 3.24Å; S170-T174 VanDerWaalsContact O-OG1 3.1Å
171	I	94.4	Very high	92.5	Very high	92 Å²	92	92.7 Å²	92.7	47%	0.472	46%	0.456	S	S	.	.	H	α-helix	trans	-65.6	-43	179.8	-68.5	163.5	0	0	0	110.9	Q167 E168 I169 T174 K175	Q167-I171 VanDerWaalsContact O-CG1 3.28Å; Q167-I171 WeakPolarHBondContact O-CG1 3.41Å; Q167-I171 PolarHBondContact O-N 3.31Å; E168-I171 PolarHBondContact O-N 2.92Å; I169-I171 VanDerWaalsContact C-N 3.34Å; I169-I171 PolarHBondContact O-N 3.42Å; I171-T174 WeakPolarHBondContact CA-OG1 3.38Å; I171-T174 PolarHBondContact O-N 3.45Å; I171-T174 PolarHBondContact O-OG1 3.16Å; I171-K175 HydrophobicContact CG2-CD 4.36Å; I171-K175 WeakPolarHBondContact O-CG 3.43Å; I171-K175 PolarHBondContact O-N 2.89Å
172	L	94.3	Very high	93.1	Very high	98 Å²	98	96 Å²	96	51%	0.513	46%	0.464	S	S	.	.	H	α-helix	trans	-63	-48	176.2	-71.8	172.8	0	0	0	111	E168 I169 T174 K175 D176	E168-L172 WeakPolarHBondContact O-CG 3.22Å; E168-L172 PolarHBondContact O-N 3Å; I169-L172 PolarHBondContact O-N 3.32Å; L172-T174 VanDerWaalsContact C-N 3.29Å; L172-T174 PolarHBondContact O-N 3Å; L172-K175 WeakPolarHBondContact O-CB 3.39Å; L172-K175 PolarHBondContact O-N 2.86Å; L172-K175 VanDerWaalsContact O-N 3.08Å; L172-D176 PolarHBondContact O-N 3.05Å
173	L	94.2	Very high	93.6	Very high	93 Å²	93	97 Å²	97	49%	0.487	47%	0.469	S	S	.	.	H	α-helix	trans	-60.4	-37.4	177.2	-73.3	172.8	0	0	0	112.7	I169 S170 K177	I169-L173 HydrophobicContact CG2-CD1 3.75Å; I169-L173 HydrophobicContact CG2-CG 4.21Å; I169-L173 WeakPolarHBondContact O-CB 3.27Å; I169-L173 VanDerWaalsContact O-CG 3.24Å; I169-L173 WeakPolarHBondContact O-CG 3.26Å; I169-L173 PolarHBondContact O-N 3.24Å; S170-L173 PolarHBondContact O-N 2.81Å; L173-K177 WeakPolarHBondContact O-CB 3.42Å; L173-K177 VanDerWaalsContact O-CG 3.22Å; L173-K177 WeakPolarHBondContact O-CG 3.34Å; L173-K177 PolarHBondContact O-N 2.82Å
174	T	96	Very high	93.8	Very high	63 Å²	63	98.1 Å²	98.1	39%	0.387	47%	0.471	S	S	.	.	H	α-helix	trans	-67.2	-40.4	174.8	48.1	0	0	0	0	111.7	S170 I171 L172 K177 E178	S170-T174 WeakPolarHBondContact O-CG2 3.49Å; S170-T174 PolarHBondContact O-N 3.37Å; S170-T174 PolarHBondContact O-OG1 3.24Å; S170-T174 VanDerWaalsContact O-OG1 3.1Å; I171-T174 WeakPolarHBondContact CA-OG1 3.38Å; I171-T174 PolarHBondContact O-N 3.45Å; I171-T174 PolarHBondContact O-OG1 3.16Å; L172-T174 VanDerWaalsContact C-N 3.29Å; L172-T174 PolarHBondContact O-N 3Å; T174-K177 PolarHBondContact O-N 2.93Å; T174-E178 WeakPolarHBondContact O-CB 3.12Å; T174-E178 VanDerWaalsContact O-CG 3.28Å; T174-E178 WeakPolarHBondContact O-CG 3.01Å; T174-E178 PolarHBondContact O-N 2.94Å
175	K	96.8	Very high	94.4	Very high	106 Å²	106	101 Å²	101	46%	0.461	49%	0.485	S	S	.	.	H	α-helix	trans	-63.3	-47.1	176.6	-74.3	176	179.2	-176.7	0	111.7	I171 L172 K177 E178 E179	I171-K175 HydrophobicContact CG2-CD 4.36Å; I171-K175 WeakPolarHBondContact O-CG 3.43Å; I171-K175 PolarHBondContact O-N 2.89Å; L172-K175 WeakPolarHBondContact O-CB 3.39Å; L172-K175 PolarHBondContact O-N 2.86Å; L172-K175 VanDerWaalsContact O-N 3.08Å; K175-K177 VanDerWaalsContact C-N 3.31Å; K175-K177 PolarHBondContact O-N 3.44Å; K175-E178 PolarHBondContact O-N 2.93Å; K175-E179 WeakPolarHBondContact O-CG 3.45Å; K175-E179 PolarHBondContact O-N 3.15Å
176	D	93.8	Very high	95.1	Very high	91 Å²	91	103.3 Å²	103.3	49%	0.487	49%	0.494	S	S	.	.	H	α-helix	trans	-62.8	-39.4	179.5	-65.2	-8.5	0	0	0	111.3	L172 E179 L180	L172-D176 PolarHBondContact O-N 3.05Å; D176-E179 PolarHBondContact O-N 3.19Å; D176-L180 WeakPolarHBondContact O-CB 3.41Å; D176-L180 PolarHBondContact O-N 2.84Å
177	K	96.2	Very high	95.2	Very high	137 Å²	137	100.8 Å²	100.8	60%	0.596	49%	0.492	S	S	*	.	H	α-helix	trans	-63.6	-45.9	173.6	-76.8	174.8	-179	-178.9	0	112	L173 T174 K175 E179 L180 D181	L173-K177 WeakPolarHBondContact O-CB 3.42Å; L173-K177 VanDerWaalsContact O-CG 3.22Å; L173-K177 WeakPolarHBondContact O-CG 3.34Å; L173-K177 PolarHBondContact O-N 2.82Å; T174-K177 PolarHBondContact O-N 2.93Å; K175-K177 VanDerWaalsContact C-N 3.31Å; K175-K177 PolarHBondContact O-N 3.44Å; K177-E179 VanDerWaalsContact C-N 3.29Å; K177-E179 PolarHBondContact O-N 3.36Å; K177-L180 PolarHBondContact O-N 3.32Å; K177-D181 WeakPolarHBondContact O-CB 3.26Å; K177-D181 PolarHBondContact O-N 3.34Å
178	E	96.8	Very high	95.3	Very high	113 Å²	113	104.1 Å²	104.1	53%	0.528	50%	0.5	S	S	.	.	H	α-helix	trans	-64.2	-34.5	177.2	-74.3	171.9	-171.5	0	0	112.1	T174 K175 R182	T174-E178 WeakPolarHBondContact O-CB 3.12Å; T174-E178 VanDerWaalsContact O-CG 3.28Å; T174-E178 WeakPolarHBondContact O-CG 3.01Å; T174-E178 PolarHBondContact O-N 2.94Å; K175-E178 PolarHBondContact O-N 2.93Å; E178-R182 WeakPolarHBondContact O-CB 3.22Å; E178-R182 VanDerWaalsContact O-CG 3.23Å; E178-R182 WeakPolarHBondContact O-CG 3.38Å; E178-R182 PolarHBondContact O-N 3.02Å; E178-R182 PolarHBondContact O-NE 3.11Å
179	E	97.8	Very high	95.8	Very high	91 Å²	91	105.5 Å²	105.5	43%	0.425	51%	0.509	S	S	.	.	H	α-helix	trans	-64.5	-50.4	172.8	-78.7	179	-175	0	0	111.6	K175 D176 K177 D181 R182 E183	K175-E179 WeakPolarHBondContact O-CG 3.45Å; K175-E179 PolarHBondContact O-N 3.15Å; D176-E179 PolarHBondContact O-N 3.19Å; K177-E179 VanDerWaalsContact C-N 3.29Å; K177-E179 PolarHBondContact O-N 3.36Å; E179-D181 PolarHBondContact O-N 3.44Å; E179-R182 WeakPolarHBondContact O-CB 3.47Å; E179-R182 PolarHBondContact O-N 3.01Å; E179-R182 VanDerWaalsContact O-N 3.14Å; E179-R182 IonicContact OE1-NH2 3.37Å; E179-E183 PolarHBondContact O-N 3.17Å
180	L	95.4	Very high	96.1	Very high	100 Å²	100	105.2 Å²	105.2	52%	0.524	51%	0.506	S	S	.	.	H	α-helix	trans	-61	-43.6	177.6	-177.6	134	0	0	0	111.8	D176 K177 R182 E183 L184	D176-L180 WeakPolarHBondContact O-CB 3.41Å; D176-L180 PolarHBondContact O-N 2.84Å; K177-L180 PolarHBondContact O-N 3.32Å; L180-R182 VanDerWaalsContact C-N 3.3Å; L180-R182 PolarHBondContact O-N 2.98Å; L180-E183 PolarHBondContact O-N 2.76Å; L180-L184 HydrophobicContact CD2-CD1 3.56Å; L180-L184 HydrophobicContact CD2-CG 4.36Å; L180-L184 HydrophobicContact CG-CD1 4.22Å; L180-L184 WeakPolarHBondContact O-CB 3.31Å; L180-L184 WeakPolarHBondContact O-CG 3.18Å; L180-L184 PolarHBondContact O-N 3.47Å
181	D	96.7	Very high	96.1	Very high	82 Å²	82	106 Å²	106	44%	0.439	50%	0.502	S	S	.	.	H	α-helix	trans	-63	-37.2	175.9	-76.2	-15.9	0	0	0	111.8	K177 E179 K185	K177-D181 WeakPolarHBondContact O-CB 3.26Å; K177-D181 PolarHBondContact O-N 3.34Å; E179-D181 PolarHBondContact O-N 3.44Å; D181-K185 WeakPolarHBondContact O-CB 3.47Å; D181-K185 VanDerWaalsContact O-CG 3.23Å; D181-K185 WeakPolarHBondContact O-CG 3.32Å; D181-K185 PolarHBondContact O-N 3.27Å
182	R	97.5	Very high	96.2	Very high	127 Å²	127	106.7 Å²	106.7	48%	0.479	51%	0.506	S	S	.	.	H	α-helix	trans	-65.9	-43.9	174.8	-82.1	-177.7	-77.1	125.8	-21.3	111.8	E178 E179 L180 K186	E178-R182 WeakPolarHBondContact O-CB 3.22Å; E178-R182 VanDerWaalsContact O-CG 3.23Å; E178-R182 WeakPolarHBondContact O-CG 3.38Å; E178-R182 PolarHBondContact O-N 3.02Å; E178-R182 PolarHBondContact O-NE 3.11Å; E179-R182 WeakPolarHBondContact O-CB 3.47Å; E179-R182 PolarHBondContact O-N 3.01Å; E179-R182 VanDerWaalsContact O-N 3.14Å; E179-R182 IonicContact OE1-NH2 3.37Å; L180-R182 VanDerWaalsContact C-N 3.3Å; L180-R182 PolarHBondContact O-N 2.98Å; R182-K186 WeakPolarHBondContact O-CG 3.43Å; R182-K186 PolarHBondContact O-N 3.11Å; R182-K186 VanDerWaalsContact O-N 3.14Å
183	E	97.1	Very high	96.3	Very high	127 Å²	127	108.2 Å²	108.2	59%	0.593	51%	0.511	S	S	*	.	H	α-helix	trans	-67.3	-43.4	178.2	-71.6	-175.3	172.8	0	0	112	E179 L180 K185 K186 L187	E179-E183 PolarHBondContact O-N 3.17Å; L180-E183 PolarHBondContact O-N 2.76Å; E183-K185 PolarHBondContact O-N 3.37Å; E183-K186 WeakPolarHBondContact O-CB 3.48Å; E183-K186 PolarHBondContact O-N 2.67Å; E183-L187 WeakPolarHBondContact O-CG 3.49Å; E183-L187 PolarHBondContact O-N 2.88Å
184	L	96	Very high	96.4	Very high	77 Å²	77	110.4 Å²	110.4	40%	0.403	51%	0.513	S	S	.	.	H	α-helix	trans	-60.3	-44.9	175.2	-74.7	175.8	0	0	0	111.7	L180 K186 L187 W188	L180-L184 HydrophobicContact CD2-CD1 3.56Å; L180-L184 HydrophobicContact CD2-CG 4.36Å; L180-L184 HydrophobicContact CG-CD1 4.22Å; L180-L184 WeakPolarHBondContact O-CB 3.31Å; L180-L184 WeakPolarHBondContact O-CG 3.18Å; L180-L184 PolarHBondContact O-N 3.47Å; L184-K186 VanDerWaalsContact C-N 3.33Å; L184-K186 PolarHBondContact O-N 3.23Å; L184-L187 PolarHBondContact O-N 3.04Å; L184-W188 PolarHBondContact O-N 3.47Å
185	K	97.2	Very high	96.4	Very high	135 Å²	135	111.6 Å²	111.6	59%	0.587	52%	0.516	S	S	*	.	H	α-helix	trans	-57.4	-45.9	175.6	-78.3	171.2	-175.7	172.5	0	111.7	D181 E183 L187 W188 D189	D181-K185 WeakPolarHBondContact O-CB 3.47Å; D181-K185 VanDerWaalsContact O-CG 3.23Å; D181-K185 WeakPolarHBondContact O-CG 3.32Å; D181-K185 PolarHBondContact O-N 3.27Å; E183-K185 PolarHBondContact O-N 3.37Å; K185-L187 PolarHBondContact O-N 3.4Å; K185-W188 PolarHBondContact O-N 3.01Å; K185-D189 VanDerWaalsContact O-CG 3.24Å; K185-D189 PolarHBondContact O-N 3.27Å
186	K	97.8	Very high	96.3	Very high	131 Å²	131	109.1 Å²	109.1	57%	0.57	51%	0.508	S	S	*	.	H	α-helix	trans	-58	-45.9	176.1	-71.4	174.5	-179.4	-177.9	0	112.2	R182 E183 L184 W188 D189 E190	R182-K186 WeakPolarHBondContact O-CG 3.43Å; R182-K186 PolarHBondContact O-N 3.11Å; R182-K186 VanDerWaalsContact O-N 3.14Å; E183-K186 WeakPolarHBondContact O-CB 3.48Å; E183-K186 PolarHBondContact O-N 2.67Å; L184-K186 VanDerWaalsContact C-N 3.33Å; L184-K186 PolarHBondContact O-N 3.23Å; K186-W188 VanDerWaalsContact C-N 3.32Å; K186-W188 PolarHBondContact O-N 3.17Å; K186-D189 PolarHBondContact O-N 3.39Å; K186-E190 WeakPolarHBondContact O-CG 3.29Å; K186-E190 PolarHBondContact O-N 2.94Å
187	L	95.9	Very high	96.5	Very high	105 Å²	105	109.9 Å²	109.9	55%	0.55	51%	0.508	S	S	.	.	H	α-helix	trans	-63.2	-38.8	177.6	-68.4	175.9	0	0	0	112.2	E183 L184 K185 E191	E183-L187 WeakPolarHBondContact O-CG 3.49Å; E183-L187 PolarHBondContact O-N 2.88Å; L184-L187 PolarHBondContact O-N 3.04Å; K185-L187 PolarHBondContact O-N 3.4Å; L187-E191 WeakPolarHBondContact O-CB 3.33Å; L187-E191 PolarHBondContact O-N 3.42Å
188	W	95	Very high	96.4	Very high	181 Å²	181	111.7 Å²	111.7	69%	0.686	51%	0.512	S	S	*	.	H	α-helix	trans	-65.4	-43	175.1	-77	118.5	0	0	0	112.3	L184 K185 K186 E191 L192	L184-W188 PolarHBondContact O-N 3.47Å; K185-W188 PolarHBondContact O-N 3.01Å; K186-W188 VanDerWaalsContact C-N 3.32Å; K186-W188 PolarHBondContact O-N 3.17Å; W188-E191 PolarHBondContact O-N 3.23Å; W188-L192 VanDerWaalsContact O-CB 3.31Å; W188-L192 WeakPolarHBondContact O-CB 3.31Å; W188-L192 PolarHBondContact O-N 3.21Å
189	D	97.2	Very high	96.4	Very high	102 Å²	102	113.5 Å²	113.5	55%	0.545	51%	0.514	S	S	.	.	H	α-helix	trans	-63.4	-44.1	177.5	-66.6	-26.4	0	0	0	110.7	K185 K186 E191 L192 E193	K185-D189 VanDerWaalsContact O-CG 3.24Å; K185-D189 PolarHBondContact O-N 3.27Å; K186-D189 PolarHBondContact O-N 3.39Å; D189-E191 PolarHBondContact O-N 3.33Å; D189-L192 PolarHBondContact O-N 3.33Å; D189-E193 WeakPolarHBondContact O-CG 3.46Å; D189-E193 PolarHBondContact O-N 2.91Å
190	E	97.4	Very high	96.3	Very high	92 Å²	92	115.7 Å²	115.7	43%	0.43	52%	0.522	S	S	.	.	H	α-helix	trans	-61.8	-41.3	175.2	-74.6	178.5	-160.5	0	0	112.8	K186 L192 R194	K186-E190 WeakPolarHBondContact O-CG 3.29Å; K186-E190 PolarHBondContact O-N 2.94Å; E190-L192 VanDerWaalsContact C-N 3.35Å; E190-R194 WeakPolarHBondContact O-CG 3.34Å; E190-R194 PolarHBondContact O-N 3.23Å; E190-R194 IonicContact OE2-NH1 3.81Å
191	E	94.7	Very high	96.4	Very high	84 Å²	84	116 Å²	116	39%	0.393	52%	0.519	S	S	.	.	H	α-helix	trans	-68.9	-37.1	177	-172.1	58.6	-158.1	0	0	111.3	L187 W188 D189 R194 L195	L187-E191 WeakPolarHBondContact O-CB 3.33Å; L187-E191 PolarHBondContact O-N 3.42Å; W188-E191 PolarHBondContact O-N 3.23Å; D189-E191 PolarHBondContact O-N 3.33Å; E191-R194 PolarHBondContact O-N 3.34Å; E191-L195 HydrophobicContact CG-CD1 4.5Å; E191-L195 WeakPolarHBondContact O-CB 3.5Å; E191-L195 VanDerWaalsContact O-CG 3.29Å; E191-L195 WeakPolarHBondContact O-CG 3.43Å; E191-L195 PolarHBondContact O-N 3.36Å
192	L	96	Very high	96.3	Very high	105 Å²	105	116.5 Å²	116.5	55%	0.55	52%	0.521	S	S	.	.	H	α-helix	trans	-64.8	-42.2	176.3	-161.3	132.5	0	0	0	111.1	W188 D189 E190 L195 D196	W188-L192 VanDerWaalsContact O-CB 3.31Å; W188-L192 WeakPolarHBondContact O-CB 3.31Å; W188-L192 PolarHBondContact O-N 3.21Å; D189-L192 PolarHBondContact O-N 3.33Å; E190-L192 VanDerWaalsContact C-N 3.35Å; L192-L195 PolarHBondContact O-N 3.42Å; L192-D196 PolarHBondContact O-N 2.95Å
193	E	96.8	Very high	96.2	Very high	130 Å²	130	114.7 Å²	114.7	61%	0.607	52%	0.518	S	S	*	.	H	α-helix	trans	-60.5	-45.9	171.7	-74.6	-169.1	165.8	0	0	111.8	D189 L195 D196 E197	D189-E193 WeakPolarHBondContact O-CG 3.46Å; D189-E193 PolarHBondContact O-N 2.91Å; E193-L195 VanDerWaalsContact C-N 3.3Å; E193-L195 PolarHBondContact O-N 2.84Å; E193-D196 PolarHBondContact O-N 3.16Å; E193-E197 WeakPolarHBondContact O-CG 3.34Å; E193-E197 PolarHBondContact O-N 2.87Å
194	R	96.1	Very high	96.2	Very high	140 Å²	140	112.8 Å²	112.8	53%	0.528	51%	0.509	S	S	.	.	H	α-helix	trans	-58.3	-41.9	175.3	-77.8	-172.6	177.9	97.1	7.8	112.4	E190 E191 R198	E190-R194 WeakPolarHBondContact O-CG 3.34Å; E190-R194 PolarHBondContact O-N 3.23Å; E190-R194 IonicContact OE2-NH1 3.81Å; E191-R194 PolarHBondContact O-N 3.34Å; R194-R198 WeakPolarHBondContact O-CB 3.23Å; R194-R198 PolarHBondContact O-N 3.3Å
195	L	95.9	Very high	96	Very high	87 Å²	87	115.5 Å²	115.5	46%	0.455	52%	0.515	S	S	.	.	H	α-helix	trans	-66.7	-39	177.6	-71.9	176	0	0	0	111.7	E191 L192 E193 R198 R199	E191-L195 HydrophobicContact CG-CD1 4.5Å; E191-L195 WeakPolarHBondContact O-CB 3.5Å; E191-L195 VanDerWaalsContact O-CG 3.29Å; E191-L195 WeakPolarHBondContact O-CG 3.43Å; E191-L195 PolarHBondContact O-N 3.36Å; L192-L195 PolarHBondContact O-N 3.42Å; E193-L195 VanDerWaalsContact C-N 3.3Å; E193-L195 PolarHBondContact O-N 2.84Å; L195-R198 WeakPolarHBondContact O-CB 3.48Å; L195-R198 PolarHBondContact O-N 3.5Å; L195-R199 WeakPolarHBondContact O-CB 3.19Å; L195-R199 PolarHBondContact O-N 3.27Å
196	D	95.8	Very high	95.8	Very high	55 Å²	55	115 Å²	115	29%	0.294	51%	0.513	S	S	.	.	H	α-helix	trans	-71.7	-36.3	177.1	-81.7	-19	0	0	0	112.9	L192 E193 R198 R199 K200	L192-D196 PolarHBondContact O-N 2.95Å; E193-D196 PolarHBondContact O-N 3.16Å; D196-R198 VanDerWaalsContact C-N 3.33Å; D196-R199 WeakPolarHBondContact O-CB 3.4Å; D196-R199 PolarHBondContact O-N 3.35Å; D196-R199 IonicContact OD1-CZ 3.41Å; D196-R199 IonicContact OD1-NE 2.77Å; D196-R199 PolarHBondContact OD1-NE 2.96Å; D196-R199 IonicContact OD1-NH2 3.6Å; D196-R199 PolarHBondContact OD1-NH2 3.42Å; D196-K200 WeakPolarHBondContact O-CG 3.42Å; D196-K200 PolarHBondContact O-N 3.25Å
197	E	96.6	Very high	95.7	Very high	106 Å²	106	116.6 Å²	116.6	50%	0.495	52%	0.515	S	S	.	.	H	α-helix	trans	-60.1	-44.5	168.7	-73.4	-176.5	173.4	0	0	111.5	E193 R199 K200 K201	E193-E197 WeakPolarHBondContact O-CG 3.34Å; E193-E197 PolarHBondContact O-N 2.87Å; E197-R199 VanDerWaalsContact C-N 3.31Å; E197-R199 PolarHBondContact O-N 3.4Å; E197-K200 PolarHBondContact O-N 2.94Å; E197-K201 WeakPolarHBondContact O-CG 3.19Å; E197-K201 PolarHBondContact O-N 2.92Å
198	R	95.1	Very high	95.7	Very high	175 Å²	175	116.3 Å²	116.3	66%	0.66	51%	0.511	S	S	*	.	H	α-helix	trans	-62.8	-39.9	176.1	-170.1	178.1	-173.2	163.4	1.7	111.5	R194 L195 D196 K201 L202	R194-R198 WeakPolarHBondContact O-CB 3.23Å; R194-R198 PolarHBondContact O-N 3.3Å; L195-R198 WeakPolarHBondContact O-CB 3.48Å; L195-R198 PolarHBondContact O-N 3.5Å; D196-R198 VanDerWaalsContact C-N 3.33Å; R198-K201 PolarHBondContact O-N 3.39Å; R198-L202 WeakPolarHBondContact O-CG 3.36Å; R198-L202 PolarHBondContact O-N 2.69Å
199	R	95.6	Very high	95.6	Very high	151 Å²	151	112.7 Å²	112.7	57%	0.57	51%	0.508	S	S	*	.	H	α-helix	trans	-61.1	-48.4	175	-169.7	-160.9	-52	-89.9	0.2	111	L195 D196 E197 K201 L202 E203	L195-R199 WeakPolarHBondContact O-CB 3.19Å; L195-R199 PolarHBondContact O-N 3.27Å; D196-R199 WeakPolarHBondContact O-CB 3.4Å; D196-R199 PolarHBondContact O-N 3.35Å; D196-R199 IonicContact OD1-CZ 3.41Å; D196-R199 IonicContact OD1-NE 2.77Å; D196-R199 PolarHBondContact OD1-NE 2.96Å; D196-R199 IonicContact OD1-NH2 3.6Å; D196-R199 PolarHBondContact OD1-NH2 3.42Å; E197-R199 VanDerWaalsContact C-N 3.31Å; E197-R199 PolarHBondContact O-N 3.4Å; R199-K201 PolarHBondContact O-N 3.02Å; R199-L202 WeakPolarHBondContact O-CB 2.82Å; R199-L202 PolarHBondContact O-N 2.93Å; R199-L202 VanDerWaalsContact O-N 3.14Å; R199-E203 PolarHBondContact O-N 3.36Å
200	K	96.6	Very high	95.4	Very high	137 Å²	137	113.4 Å²	113.4	60%	0.596	51%	0.508	S	S	*	.	H	α-helix	trans	-58.1	-45.9	177.7	-72.2	171.2	-173.9	172	0	111.8	D196 E197 L202 E203 E204	D196-K200 WeakPolarHBondContact O-CG 3.42Å; D196-K200 PolarHBondContact O-N 3.25Å; E197-K200 PolarHBondContact O-N 2.94Å; K200-L202 VanDerWaalsContact C-N 3.33Å; K200-L202 PolarHBondContact O-N 2.96Å; K200-E203 PolarHBondContact O-N 3.17Å; K200-E203 VanDerWaalsContact O-N 3.13Å; K200-E204 PolarHBondContact O-N 3.39Å
201	K	96.8	Very high	95.2	Very high	108 Å²	108	114.4 Å²	114.4	47%	0.47	51%	0.513	S	S	.	.	H	α-helix	trans	-60.7	-39.8	175.2	-71.5	174.5	-178.2	169.6	0	112.5	E197 R198 R199 E203 E204 Y205	E197-K201 WeakPolarHBondContact O-CG 3.19Å; E197-K201 PolarHBondContact O-N 2.92Å; R198-K201 PolarHBondContact O-N 3.39Å; R199-K201 PolarHBondContact O-N 3.02Å; K201-E203 VanDerWaalsContact C-N 3.34Å; K201-E204 WeakPolarHBondContact O-CB 3.26Å; K201-E204 PolarHBondContact O-N 3.38Å; K201-Y205 HydrophobicContact CB-CE2 4.34Å; K201-Y205 WeakPolarHBondContact O-CD2 3.5Å; K201-Y205 PolarHBondContact O-N 3.02Å
202	L	95.4	Very high	95.1	Very high	91 Å²	91	115.1 Å²	115.1	48%	0.476	52%	0.518	S	S	.	.	H	α-helix	trans	-64.9	-38.2	174.9	-74.7	170.7	0	0	0	112.1	R198 R199 K200 Y205 K206	R198-L202 WeakPolarHBondContact O-CG 3.36Å; R198-L202 PolarHBondContact O-N 2.69Å; R199-L202 WeakPolarHBondContact O-CB 2.82Å; R199-L202 PolarHBondContact O-N 2.93Å; R199-L202 VanDerWaalsContact O-N 3.14Å; K200-L202 VanDerWaalsContact C-N 3.33Å; K200-L202 PolarHBondContact O-N 2.96Å; L202-Y205 PolarHBondContact O-N 3.05Å; L202-K206 WeakPolarHBondContact O-CB 3.36Å; L202-K206 VanDerWaalsContact O-CG 3.28Å; L202-K206 WeakPolarHBondContact O-CG 3.44Å; L202-K206 PolarHBondContact O-N 2.99Å
203	E	95.4	Very high	94.9	Very high	89 Å²	89	111.5 Å²	111.5	42%	0.416	51%	0.507	S	S	.	.	H	α-helix	trans	-69.4	-33	174.6	-64.9	-52.3	146.8	0	0	112.6	R199 K200 K201 K206 R207	R199-E203 PolarHBondContact O-N 3.36Å; K200-E203 PolarHBondContact O-N 3.17Å; K200-E203 VanDerWaalsContact O-N 3.13Å; K201-E203 VanDerWaalsContact C-N 3.34Å; E203-K206 IonicContact OE1-NZ 3.32Å; E203-K206 PolarHBondContact OE1-NZ 2.79Å; E203-K206 VanDerWaalsContact OE2-CD 3.3Å; E203-K206 WeakPolarHBondContact OE2-CD 3.5Å; E203-K206 IonicContact OE2-NZ 2.73Å; E203-R207 WeakPolarHBondContact O-CG 3.47Å; E203-R207 PolarHBondContact O-N 3.43Å; E203-R207 VanDerWaalsContact O-N 3.1Å
204	E	96.5	Very high	94.5	Very high	88 Å²	88	109.7 Å²	109.7	41%	0.411	50%	0.498	S	S	.	.	H	α-helix	trans	-60.7	-52.9	168	-74.3	162.4	-175	0	0	111.2	K200 K201 K206 R207 E208	K200-E204 PolarHBondContact O-N 3.39Å; K201-E204 WeakPolarHBondContact O-CB 3.26Å; K201-E204 PolarHBondContact O-N 3.38Å; E204-K206 VanDerWaalsContact C-N 3.31Å; E204-K206 PolarHBondContact O-N 2.99Å; E204-R207 VanDerWaalsContact CG-NH2 3.29Å; E204-R207 WeakPolarHBondContact O-CB 3.28Å; E204-R207 PolarHBondContact O-N 3.3Å; E204-E208 PolarHBondContact O-N 3.47Å
205	Y	92.6	Very high	94.2	Very high	134 Å²	134	108.3 Å²	108.3	53%	0.525	50%	0.498	S	S	.	.	H	α-helix	trans	-61.1	-37	178	-64.9	-44.1	0	0	0	113.1	K201 L202 R207 E208 V209	K201-Y205 HydrophobicContact CB-CE2 4.34Å; K201-Y205 WeakPolarHBondContact O-CD2 3.5Å; K201-Y205 PolarHBondContact O-N 3.02Å; L202-Y205 PolarHBondContact O-N 3.05Å; Y205-R207 VanDerWaalsContact C-N 3.33Å; Y205-R207 PolarHBondContact O-N 3.48Å; Y205-E208 PolarHBondContact O-N 2.67Å; Y205-V209 WeakPolarHBondContact O-CB 3.44Å; Y205-V209 VanDerWaalsContact O-CG2 3.28Å; Y205-V209 WeakPolarHBondContact O-CG2 3.26Å; Y205-V209 PolarHBondContact O-N 3.44Å
206	K	93.7	Very high	93.8	Very high	124 Å²	124	107.4 Å²	107.4	54%	0.539	50%	0.498	S	S	.	.	H	α-helix	trans	-61.9	-41.1	174	-77.6	171.3	-178.1	176.8	0	111.7	L202 E203 E204 H210	L202-K206 WeakPolarHBondContact O-CB 3.36Å; L202-K206 VanDerWaalsContact O-CG 3.28Å; L202-K206 WeakPolarHBondContact O-CG 3.44Å; L202-K206 PolarHBondContact O-N 2.99Å; E203-K206 IonicContact OE1-NZ 3.32Å; E203-K206 PolarHBondContact OE1-NZ 2.79Å; E203-K206 VanDerWaalsContact OE2-CD 3.3Å; E203-K206 WeakPolarHBondContact OE2-CD 3.5Å; E203-K206 IonicContact OE2-NZ 2.73Å; E204-K206 VanDerWaalsContact C-N 3.31Å; E204-K206 PolarHBondContact O-N 2.99Å; K206-H210 WeakPolarHBondContact O-CB 3.39Å; K206-H210 PolarHBondContact O-N 3.17Å
207	R	95	Very high	93.5	Very high	164 Å²	164	109.5 Å²	109.5	62%	0.619	51%	0.51	S	S	*	.	H	α-helix	trans	-64	-46.2	175.6	-75.6	-174.3	-68.1	157.2	-2.4	111.4	E203 E204 Y205 V209 H210 E211	E203-R207 WeakPolarHBondContact O-CG 3.47Å; E203-R207 PolarHBondContact O-N 3.43Å; E203-R207 VanDerWaalsContact O-N 3.1Å; E204-R207 VanDerWaalsContact CG-NH2 3.29Å; E204-R207 WeakPolarHBondContact O-CB 3.28Å; E204-R207 PolarHBondContact O-N 3.3Å; Y205-R207 VanDerWaalsContact C-N 3.33Å; Y205-R207 PolarHBondContact O-N 3.48Å; R207-V209 PolarHBondContact O-N 3.02Å; R207-H210 WeakPolarHBondContact O-CB 3.46Å; R207-H210 PolarHBondContact O-N 3.1Å; R207-E211 PolarHBondContact O-N 3.48Å
208	E	95.3	Very high	93.1	Very high	100 Å²	100	110.6 Å²	110.6	47%	0.467	52%	0.515	S	S	.	.	H	α-helix	trans	-59.9	-45.7	177.5	-70	175.9	-176.7	0	0	112	E204 Y205 H210 E211 I212	E204-E208 PolarHBondContact O-N 3.47Å; Y205-E208 PolarHBondContact O-N 2.67Å; E208-H210 VanDerWaalsContact C-N 3.29Å; E208-H210 PolarHBondContact O-N 2.68Å; E208-E211 PolarHBondContact O-N 3.34Å; E208-I212 VanDerWaalsContact O-CG1 3.32Å; E208-I212 WeakPolarHBondContact O-CG1 3.28Å; E208-I212 PolarHBondContact O-N 3.02Å
209	V	93.3	Very high	92.9	Very high	104 Å²	104	106.5 Å²	106.5	63%	0.63	51%	0.509	S	S	*	.	H	α-helix	trans	-61.5	-40.3	176.7	169.5	0	0	0	0	111.3	Y205 R207 G213	Y205-V209 WeakPolarHBondContact O-CB 3.44Å; Y205-V209 VanDerWaalsContact O-CG2 3.28Å; Y205-V209 WeakPolarHBondContact O-CG2 3.26Å; Y205-V209 PolarHBondContact O-N 3.44Å; R207-V209 PolarHBondContact O-N 3.02Å; V209-G213 PolarHBondContact O-N 3.4Å
210	H	92.3	Very high	92.7	Very high	117 Å²	117	104.6 Å²	104.6	54%	0.542	51%	0.505	S	S	.	.	H	α-helix	trans	-65.6	-42.9	177.2	178.8	-94.4	0	0	0	111.9	K206 R207 E208 G213 Q214	K206-H210 WeakPolarHBondContact O-CB 3.39Å; K206-H210 PolarHBondContact O-N 3.17Å; R207-H210 WeakPolarHBondContact O-CB 3.46Å; R207-H210 PolarHBondContact O-N 3.1Å; E208-H210 VanDerWaalsContact C-N 3.29Å; E208-H210 PolarHBondContact O-N 2.68Å; H210-G213 PolarHBondContact O-N 3.38Å; H210-Q214 VanDerWaalsContact CE1-CD 3.49Å; H210-Q214 PolarHBondContact CE1-NE2 2.97Å; H210-Q214 WeakPolarHBondContact O-CG 3.32Å; H210-Q214 PolarHBondContact O-N 3.04Å
211	E	94.9	Very high	92.3	Very high	113 Å²	113	101.8 Å²	101.8	53%	0.528	50%	0.496	S	S	.	.	H	α-helix	trans	-62.1	-49.5	176.4	-173.2	169.7	-159.1	0	0	111.6	R207 E208 G213 Q214 E215	R207-E211 PolarHBondContact O-N 3.48Å; E208-E211 PolarHBondContact O-N 3.34Å; E211-G213 PolarHBondContact O-N 3.21Å; E211-Q214 WeakPolarHBondContact O-CB 3.44Å; E211-Q214 PolarHBondContact O-N 3.43Å; E211-E215 WeakPolarHBondContact O-CG 3.49Å; E211-E215 PolarHBondContact O-N 3.21Å
212	I	92	Very high	92	Very high	99 Å²	99	99.1 Å²	99.1	51%	0.508	50%	0.495	S	S	.	.	H	α-helix	trans	-57.9	-38.9	174.3	-66.4	167	0	0	0	110.9	E208 S216	E208-I212 VanDerWaalsContact O-CG1 3.32Å; E208-I212 WeakPolarHBondContact O-CG1 3.28Å; E208-I212 PolarHBondContact O-N 3.02Å; I212-S216 VanDerWaalsContact O-CB 3.23Å; I212-S216 WeakPolarHBondContact O-CB 3.31Å; I212-S216 PolarHBondContact O-N 3.14Å; I212-S216 PolarHBondContact O-OG 2.95Å
213	G	91.1	Very high	91.6	Very high	29 Å²	29	99 Å²	99	30%	0.299	49%	0.494	S	S	.	.	H	α-helix	trans	-62.8	-42.9	175.2	0	0	0	0	0	112.6	V209 H210 E211 N217	V209-G213 PolarHBondContact O-N 3.4Å; H210-G213 PolarHBondContact O-N 3.38Å; E211-G213 PolarHBondContact O-N 3.21Å; G213-N217 WeakPolarHBondContact O-CB 3.48Å; G213-N217 VanDerWaalsContact O-CG 3.24Å; G213-N217 PolarHBondContact O-N 2.92Å; G213-N217 PolarHBondContact O-ND2 3.39Å
214	Q	88.2	Confident	91.2	Very high	93 Å²	93	97.6 Å²	97.6	44%	0.435	49%	0.489	S	S	.	.	H	α-helix	trans	-64.9	-48.7	175.4	-72.6	-174.5	-20.3	0	0	111.6	H210 E211 S216 N217 H218	H210-Q214 VanDerWaalsContact CE1-CD 3.49Å; H210-Q214 PolarHBondContact CE1-NE2 2.97Å; H210-Q214 WeakPolarHBondContact O-CG 3.32Å; H210-Q214 PolarHBondContact O-N 3.04Å; E211-Q214 WeakPolarHBondContact O-CB 3.44Å; E211-Q214 PolarHBondContact O-N 3.43Å; Q214-S216 VanDerWaalsContact C-N 3.33Å; Q214-S216 PolarHBondContact O-N 3.42Å; Q214-N217 WeakPolarHBondContact O-CB 3.35Å; Q214-N217 PolarHBondContact O-N 2.63Å; Q214-N217 VanDerWaalsContact O-N 3.17Å; Q214-H218 PolarHBondContact O-CD2 2.85Å; Q214-H218 PolarHBondContact O-N 3.05Å
215	E	90.5	Very high	90.7	Very high	111 Å²	111	101.5 Å²	101.5	52%	0.519	50%	0.501	S	S	.	.	H	α-helix	trans	-57.4	-46.7	176.4	-69.6	-178.8	165	0	0	111.4	E211 N217 H218 V219	E211-E215 WeakPolarHBondContact O-CG 3.49Å; E211-E215 PolarHBondContact O-N 3.21Å; E215-N217 VanDerWaalsContact C-N 3.32Å; E215-N217 PolarHBondContact O-N 3.38Å; E215-H218 PolarHBondContact O-N 3.48Å; E215-V219 WeakPolarHBondContact O-CG2 3.33Å; E215-V219 PolarHBondContact O-N 3.33Å
216	S	87.6	Confident	90.5	Very high	67 Å²	67	99.9 Å²	99.9	47%	0.469	50%	0.499	S	S	.	.	H	α-helix	trans	-60.4	-41.8	177	-61.9	0	0	0	0	111.7	I212 Q214 V219 F220	I212-S216 VanDerWaalsContact O-CB 3.23Å; I212-S216 WeakPolarHBondContact O-CB 3.31Å; I212-S216 PolarHBondContact O-N 3.14Å; I212-S216 PolarHBondContact O-OG 2.95Å; Q214-S216 VanDerWaalsContact C-N 3.33Å; Q214-S216 PolarHBondContact O-N 3.42Å; S216-V219 PolarHBondContact O-N 2.99Å; S216-F220 VanDerWaalsContact O-CB 3.22Å; S216-F220 WeakPolarHBondContact O-CB 3.42Å; S216-F220 PolarHBondContact O-N 2.93Å
217	N	88.8	Confident	90.2	Very high	100 Å²	100	101.5 Å²	101.5	54%	0.535	50%	0.501	S	S	.	.	H	α-helix	trans	-65.5	-41	175.2	-76.9	-28.1	0	0	0	112	G213 Q214 E215 F220 N221	G213-N217 WeakPolarHBondContact O-CB 3.48Å; G213-N217 VanDerWaalsContact O-CG 3.24Å; G213-N217 PolarHBondContact O-N 2.92Å; G213-N217 PolarHBondContact O-ND2 3.39Å; Q214-N217 WeakPolarHBondContact O-CB 3.35Å; Q214-N217 PolarHBondContact O-N 2.63Å; Q214-N217 VanDerWaalsContact O-N 3.17Å; E215-N217 VanDerWaalsContact C-N 3.32Å; E215-N217 PolarHBondContact O-N 3.38Å; N217-F220 PolarHBondContact O-N 2.9Å; N217-N221 WeakPolarHBondContact O-CB 3.43Å; N217-N221 PolarHBondContact O-N 2.95Å; N217-N221 PolarHBondContact O-ND2 3.31Å
218	H	88.6	Confident	89.9	Confident	129 Å²	129	97 Å²	97	60%	0.597	50%	0.495	S	S	*	.	H	α-helix	trans	-62.4	-46.1	175.7	-74.1	-60.6	0	0	0	111.8	Q214 E215 N221 A222	Q214-H218 PolarHBondContact O-CD2 2.85Å; Q214-H218 PolarHBondContact O-N 3.05Å; E215-H218 PolarHBondContact O-N 3.48Å; H218-N221 PolarHBondContact O-N 3.5Å; H218-A222 WeakPolarHBondContact O-CB 3.41Å; H218-A222 PolarHBondContact O-N 2.89Å
219	V	91.5	Very high	89.5	Confident	88 Å²	88	98 Å²	98	53%	0.533	50%	0.502	S	S	.	.	H	α-helix	trans	-63.3	-44.9	176.4	173	0	0	0	0	110.7	E215 S216 N221 A222 L223	E215-V219 WeakPolarHBondContact O-CG2 3.33Å; E215-V219 PolarHBondContact O-N 3.33Å; S216-V219 PolarHBondContact O-N 2.99Å; V219-N221 PolarHBondContact O-N 3.49Å; V219-A222 PolarHBondContact O-N 3.4Å; V219-L223 HydrophobicContact CG1-CD1 4Å; V219-L223 HydrophobicContact CG1-CG 4.38Å; V219-L223 WeakPolarHBondContact O-CG 3.36Å; V219-L223 PolarHBondContact O-N 3.5Å
220	F	90.3	Very high	89.2	Confident	112 Å²	112	100.2 Å²	100.2	49%	0.491	50%	0.499	S	S	.	.	H	α-helix	trans	-58.7	-48.9	177.2	-179.9	-95.9	0	0	0	111.6	S216 N217 A222 L223 D224	S216-F220 VanDerWaalsContact O-CB 3.22Å; S216-F220 WeakPolarHBondContact O-CB 3.42Å; S216-F220 PolarHBondContact O-N 2.93Å; N217-F220 PolarHBondContact O-N 2.9Å; F220-A222 VanDerWaalsContact C-N 3.34Å; F220-A222 PolarHBondContact O-N 2.91Å; F220-L223 PolarHBondContact O-N 3.4Å; F220-D224 WeakPolarHBondContact CE1-OD2 3.44Å; F220-D224 WeakPolarHBondContact CZ-OD2 3.28Å; F220-D224 PolarHBondContact O-N 3.32Å
221	N	88.8	Confident	88.9	Confident	77 Å²	77	98.1 Å²	98.1	41%	0.412	49%	0.491	S	S	.	.	H	α-helix	trans	-59.7	-43.9	177.3	-70	-22.6	0	0	0	111.5	N217 H218 V219 L223 D224 Y225	N217-N221 WeakPolarHBondContact O-CB 3.43Å; N217-N221 PolarHBondContact O-N 2.95Å; N217-N221 PolarHBondContact O-ND2 3.31Å; H218-N221 PolarHBondContact O-N 3.5Å; V219-N221 PolarHBondContact O-N 3.49Å; N221-L223 PolarHBondContact O-N 2.85Å; N221-D224 PolarHBondContact O-N 3.38Å; N221-Y225 HydrophobicContact CB-CE2 4.28Å; N221-Y225 WeakPolarHBondContact O-CD2 3.49Å; N221-Y225 PolarHBondContact O-N 3.44Å
222	A	89.8	Confident	88.2	Confident	53 Å²	53	97.2 Å²	97.2	44%	0.438	49%	0.49	S	S	.	.	H	α-helix	trans	-60.6	-45.4	176.9	0	0	0	0	0	112.2	H218 V219 F220 D224 Y225 E226	H218-A222 WeakPolarHBondContact O-CB 3.41Å; H218-A222 PolarHBondContact O-N 2.89Å; V219-A222 PolarHBondContact O-N 3.4Å; F220-A222 VanDerWaalsContact C-N 3.34Å; F220-A222 PolarHBondContact O-N 2.91Å; A222-D224 VanDerWaalsContact C-N 3.33Å; A222-D224 PolarHBondContact O-N 3.38Å; A222-Y225 PolarHBondContact O-N 3.28Å; A222-E226 PolarHBondContact O-N 2.96Å
223	L	87.4	Confident	87.7	Confident	89 Å²	89	95.2 Å²	95.2	47%	0.466	49%	0.488	S	S	.	.	H	α-helix	trans	-63.3	-38.7	176.4	-70.5	174.4	0	0	0	112.2	V219 F220 N221 E226 R227	V219-L223 HydrophobicContact CG1-CD1 4Å; V219-L223 HydrophobicContact CG1-CG 4.38Å; V219-L223 WeakPolarHBondContact O-CG 3.36Å; V219-L223 PolarHBondContact O-N 3.5Å; F220-L223 PolarHBondContact O-N 3.4Å; N221-L223 PolarHBondContact O-N 2.85Å; L223-E226 PolarHBondContact O-N 3.16Å; L223-R227 WeakPolarHBondContact O-CB 2.95Å; L223-R227 PolarHBondContact O-N 2.92Å
224	D	87.7	Confident	87.1	Confident	58 Å²	58	98.9 Å²	98.9	31%	0.31	50%	0.497	S	S	.	.	H	α-helix	trans	-65.7	-41.2	175.6	-89.5	-7	0	0	0	111.8	F220 N221 A222 R227 C228	F220-D224 WeakPolarHBondContact CE1-OD2 3.44Å; F220-D224 WeakPolarHBondContact CZ-OD2 3.28Å; F220-D224 PolarHBondContact O-N 3.32Å; N221-D224 PolarHBondContact O-N 3.38Å; A222-D224 VanDerWaalsContact C-N 3.33Å; A222-D224 PolarHBondContact O-N 3.38Å; D224-R227 WeakPolarHBondContact O-CB 3.3Å; D224-R227 PolarHBondContact O-N 3.31Å; D224-C228 WeakPolarHBondContact O-CB 3.22Å; D224-C228 PolarHBondContact O-N 2.92Å; D224-C228 PolarHBondContact O-SG 3.43Å
225	Y	85.1	Confident	86.5	Confident	170 Å²	170	98.9 Å²	98.9	67%	0.667	50%	0.497	S	S	*	.	H	α-helix	trans	-62.4	-44.9	172.6	-71.2	-60.3	0	0	0	112	N221 A222 R227 C228 L229	N221-Y225 HydrophobicContact CB-CE2 4.28Å; N221-Y225 WeakPolarHBondContact O-CD2 3.49Å; N221-Y225 PolarHBondContact O-N 3.44Å; A222-Y225 PolarHBondContact O-N 3.28Å; Y225-R227 VanDerWaalsContact C-N 3.29Å; Y225-R227 PolarHBondContact O-N 3.02Å; Y225-C228 PolarHBondContact O-N 3.41Å; Y225-L229 WeakPolarHBondContact O-CG 3.45Å; Y225-L229 PolarHBondContact O-N 3.34Å
226	E	88.1	Confident	85.5	Confident	100 Å²	100	102.8 Å²	102.8	47%	0.467	51%	0.507	S	S	.	.	H	α-helix	trans	-61	-38.4	174.6	-75.7	-172.5	175.4	0	0	112.6	A222 L223 L229 R230	A222-E226 PolarHBondContact O-N 2.96Å; L223-E226 PolarHBondContact O-N 3.16Å; E226-L229 PolarHBondContact O-N 3.17Å; E226-R230 WeakPolarHBondContact O-CB 3.28Å; E226-R230 WeakPolarHBondContact O-CG 3.43Å; E226-R230 PolarHBondContact O-N 3.46Å; E226-R230 IonicContact OE2-NH2 2.69Å; E226-R230 PolarHBondContact OE2-NH2 2.95Å
227	R	88.9	Confident	84.5	Confident	158 Å²	158	105.7 Å²	105.7	60%	0.596	51%	0.513	S	S	*	.	H	α-helix	trans	-64.3	-46	176	-176.3	-178.3	179.3	-165	-0.9	110.7	L223 D224 Y225 L229 R230 I231	L223-R227 WeakPolarHBondContact O-CB 2.95Å; L223-R227 PolarHBondContact O-N 2.92Å; D224-R227 WeakPolarHBondContact O-CB 3.3Å; D224-R227 PolarHBondContact O-N 3.31Å; Y225-R227 VanDerWaalsContact C-N 3.29Å; Y225-R227 PolarHBondContact O-N 3.02Å; R227-L229 VanDerWaalsContact C-N 3.34Å; R227-L229 PolarHBondContact O-N 2.98Å; R227-R230 PolarHBondContact O-N 2.87Å; R227-I231 HydrophobicContact CG-CD1 4.06Å; R227-I231 VanDerWaalsContact O-CG1 3.32Å; R227-I231 WeakPolarHBondContact O-CG1 3.21Å; R227-I231 PolarHBondContact O-N 3.46Å
228	C	87.4	Confident	83.3	Confident	71 Å²	71	105.8 Å²	105.8	48%	0.48	51%	0.51	S	S	.	.	H	α-helix	trans	-59.5	-43.3	175.4	-73	0	0	0	0	111.8	D224 Y225 I231 L232	D224-C228 WeakPolarHBondContact O-CB 3.22Å; D224-C228 PolarHBondContact O-N 2.92Å; D224-C228 PolarHBondContact O-SG 3.43Å; Y225-C228 PolarHBondContact O-N 3.41Å; C228-I231 PolarHBondContact O-N 2.94Å; C228-L232 WeakPolarHBondContact O-CG 3.4Å; C228-L232 PolarHBondContact O-N 3.28Å
229	L	87.1	Confident	82.1	Confident	119 Å²	119	107.1 Å²	107.1	62%	0.623	52%	0.515	S	S	*	.	H	α-helix	trans	-63.1	-41.8	175.6	-71.1	173.5	0	0	0	112.2	Y225 E226 R227 L232 A233	Y225-L229 WeakPolarHBondContact O-CG 3.45Å; Y225-L229 PolarHBondContact O-N 3.34Å; E226-L229 PolarHBondContact O-N 3.17Å; R227-L229 VanDerWaalsContact C-N 3.34Å; R227-L229 PolarHBondContact O-N 2.98Å; L229-L232 PolarHBondContact O-N 3.32Å; L229-A233 WeakPolarHBondContact O-CB 3.46Å; L229-A233 PolarHBondContact O-N 3.41Å
230	R	86.8	Confident	80.5	Confident	152 Å²	152	110.6 Å²	110.6	57%	0.574	52%	0.523	S	S	*	.	H	α-helix	trans	-62.2	-44	175.1	-83.7	-176.2	-86.8	-160.8	-11	112.3	E226 R227 A233 Q234	E226-R230 WeakPolarHBondContact O-CB 3.28Å; E226-R230 WeakPolarHBondContact O-CG 3.43Å; E226-R230 PolarHBondContact O-N 3.46Å; E226-R230 IonicContact OE2-NH2 2.69Å; E226-R230 PolarHBondContact OE2-NH2 2.95Å; R227-R230 PolarHBondContact O-N 2.87Å; R230-A233 PolarHBondContact O-N 3.37Å; R230-Q234 WeakPolarHBondContact O-CB 3.49Å; R230-Q234 PolarHBondContact O-N 2.97Å
231	I	85.4	Confident	78.8	Confident	73 Å²	73	108.3 Å²	108.3	37%	0.374	52%	0.518	S	S	.	.	H	α-helix	trans	-60	-47.4	176.4	-68.7	165.7	0	0	0	110.1	R227 C228 A233 Q234 E235	R227-I231 HydrophobicContact CG-CD1 4.06Å; R227-I231 VanDerWaalsContact O-CG1 3.32Å; R227-I231 WeakPolarHBondContact O-CG1 3.21Å; R227-I231 PolarHBondContact O-N 3.46Å; C228-I231 PolarHBondContact O-N 2.94Å; I231-A233 VanDerWaalsContact C-N 3.32Å; I231-A233 PolarHBondContact O-N 3.1Å; I231-Q234 PolarHBondContact O-N 2.63Å; I231-E235 WeakPolarHBondContact O-CG 3.41Å; I231-E235 PolarHBondContact O-N 3.13Å
232	L	81.6	Confident	77.1	Confident	94 Å²	94	111.4 Å²	111.4	49%	0.492	53%	0.529	S	S	.	.	H	α-helix	trans	-62.6	-36.9	177.6	-70.1	171.8	0	0	0	112.9	C228 L229 R236	C228-L232 WeakPolarHBondContact O-CG 3.4Å; C228-L232 PolarHBondContact O-N 3.28Å; L229-L232 PolarHBondContact O-N 3.32Å; L232-R236 WeakPolarHBondContact O-CG 3.41Å; L232-R236 PolarHBondContact O-N 3.37Å
233	A	80.3	Confident	75.2	Confident	56 Å²	56	116.2 Å²	116.2	46%	0.463	55%	0.548	S	S	.	.	H	α-helix	trans	-66.8	-44.3	174.4	0	0	0	0	0	111.4	L229 R230 I231 E235 R236 E237	L229-A233 WeakPolarHBondContact O-CB 3.46Å; L229-A233 PolarHBondContact O-N 3.41Å; R230-A233 PolarHBondContact O-N 3.37Å; I231-A233 VanDerWaalsContact C-N 3.32Å; I231-A233 PolarHBondContact O-N 3.1Å; A233-E235 PolarHBondContact O-N 3.22Å; A233-R236 WeakPolarHBondContact O-CB 3.46Å; A233-R236 PolarHBondContact O-N 3.35Å; A233-E237 PolarHBondContact O-N 2.86Å
234	Q	80	Confident	73.5	Confident	106 Å²	106	115.4 Å²	115.4	50%	0.495	55%	0.55	S	S	.	.	H	α-helix	trans	-63.5	-39.7	176.8	-171.1	179.2	5.3	0	0	111.6	R230 I231 R236 E237 Q238	R230-Q234 WeakPolarHBondContact O-CB 3.49Å; R230-Q234 PolarHBondContact O-N 2.97Å; I231-Q234 PolarHBondContact O-N 2.63Å; Q234-R236 VanDerWaalsContact C-N 3.33Å; Q234-R236 PolarHBondContact O-N 2.77Å; Q234-E237 CarbonylContact O-C 3.58Å; Q234-E237 PolarHBondContact O-N 3.44Å; Q234-Q238 HydrophobicContact CG-CG 4.26Å; Q234-Q238 VanDerWaalsContact O-CB 3.3Å; Q234-Q238 WeakPolarHBondContact O-CB 3.21Å; Q234-Q238 VanDerWaalsContact O-CG 3.28Å; Q234-Q238 WeakPolarHBondContact O-CG 3.44Å; Q234-Q238 PolarHBondContact O-N 3.28Å
235	E	75	Confident	71.9	Confident	94 Å²	94	117.2 Å²	117.2	44%	0.439	56%	0.559	S	S	.	*	H	α-helix	trans	-62.5	-37.8	174.4	-75.5	-177.8	174.1	0	0	112.4	I231 A233 E237 K239	I231-E235 WeakPolarHBondContact O-CG 3.41Å; I231-E235 PolarHBondContact O-N 3.13Å; A233-E235 PolarHBondContact O-N 3.22Å; E235-E237 VanDerWaalsContact C-N 3.34Å; E235-K239 WeakPolarHBondContact O-CB 3.16Å; E235-K239 WeakPolarHBondContact O-CG 3.27Å; E235-K239 PolarHBondContact O-N 3.47Å
236	R	69.8	Low	70.4	Confident	193 Å²	193	114.3 Å²	114.3	73%	0.728	56%	0.555	S	S	*	*	H	α-helix	trans	-65.6	-39.2	173.6	-72.9	175.7	178	176	0.6	111.7	L232 A233 Q234 K240	L232-R236 WeakPolarHBondContact O-CG 3.41Å; L232-R236 PolarHBondContact O-N 3.37Å; A233-R236 WeakPolarHBondContact O-CB 3.46Å; A233-R236 PolarHBondContact O-N 3.35Å; Q234-R236 VanDerWaalsContact C-N 3.33Å; Q234-R236 PolarHBondContact O-N 2.77Å; R236-K240 WeakPolarHBondContact O-CG 3.22Å; R236-K240 PolarHBondContact O-N 3.02Å
237	E	66.5	Low	68.7	Low	127 Å²	127	114.9 Å²	114.9	59%	0.593	57%	0.567	S	S	*	*	H	α-helix	trans	-73.9	-39.5	179.3	-141.2	171.9	-159	0	0	111.8	A233 Q234 E235 K240 V241	A233-E237 PolarHBondContact O-N 2.86Å; Q234-E237 CarbonylContact O-C 3.58Å; Q234-E237 PolarHBondContact O-N 3.44Å; E235-E237 VanDerWaalsContact C-N 3.34Å; E237-K240 CarbonylContact O-C 3.59Å; E237-K240 WeakPolarHBondContact O-CA 3.41Å; E237-K240 WeakPolarHBondContact O-CB 3.35Å; E237-K240 PolarHBondContact O-N 3.39Å; E237-V241 WeakPolarHBondContact O-CG2 3.5Å; E237-V241 PolarHBondContact O-N 3.25Å
238	Q	63.9	Low	67	Low	102 Å²	102	114.6 Å²	114.6	48%	0.477	58%	0.577	S	S	.	*	H	α-helix	trans	-61.3	-42.9	171.4	-76.9	-178.7	-0.4	0	0	110.8	Q234 K240 V241 Q242	Q234-Q238 HydrophobicContact CG-CG 4.26Å; Q234-Q238 VanDerWaalsContact O-CB 3.3Å; Q234-Q238 WeakPolarHBondContact O-CB 3.21Å; Q234-Q238 VanDerWaalsContact O-CG 3.28Å; Q234-Q238 WeakPolarHBondContact O-CG 3.44Å; Q234-Q238 PolarHBondContact O-N 3.28Å; Q238-K240 PolarHBondContact O-N 3.46Å; Q238-V241 PolarHBondContact O-N 3.07Å; Q238-V241 VanDerWaalsContact O-N 3.11Å; Q238-Q242 WeakPolarHBondContact O-CB 3.38Å; Q238-Q242 PolarHBondContact O-N 3.42Å
239	K	62.1	Low	65.6	Low	158 Å²	158	115.5 Å²	115.5	69%	0.687	57%	0.572	S	S	*	*	H	α-helix	trans	-59.7	-29.3	171.3	-77.1	177.8	-179.4	175.8	0	113.1	E235	E235-K239 WeakPolarHBondContact O-CB 3.16Å; E235-K239 WeakPolarHBondContact O-CG 3.27Å; E235-K239 PolarHBondContact O-N 3.47Å
240	K	59.4	Low	64.2	Low	161 Å²	161	115.1 Å²	115.1	70%	0.7	57%	0.569	S	S	*	*	H	α-helix	trans	-77	-38.2	171.8	-70.2	176.5	178.8	-179.5	0	112.7	R236 E237 Q238	R236-K240 WeakPolarHBondContact O-CG 3.22Å; R236-K240 PolarHBondContact O-N 3.02Å; E237-K240 CarbonylContact O-C 3.59Å; E237-K240 WeakPolarHBondContact O-CA 3.41Å; E237-K240 WeakPolarHBondContact O-CB 3.35Å; E237-K240 PolarHBondContact O-N 3.39Å; Q238-K240 PolarHBondContact O-N 3.46Å
241	V	54.8	Low	62.8	Low	64 Å²	64	114.7 Å²	114.7	39%	0.388	57%	0.571	S	S	.	*	H	α-helix	trans	-81.9	-32.7	-176	174.1	0	0	0	0	112.8	E237 Q238 N243 S244	E237-V241 WeakPolarHBondContact O-CG2 3.5Å; E237-V241 PolarHBondContact O-N 3.25Å; Q238-V241 PolarHBondContact O-N 3.07Å; Q238-V241 VanDerWaalsContact O-N 3.11Å; V241-N243 PolarHBondContact O-N 3.39Å; V241-N243 VanDerWaalsContact O-N 3.15Å; V241-S244 PolarHBondContact O-N 3.47Å; V241-S244 PolarHBondContact O-OG 3.22Å
242	Q	52.1	Low	61.6	Low	141 Å²	141	120.9 Å²	120.9	66%	0.659	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.8	-28.1	173.5	-120.7	169.7	-3.7	0	0	111.8	Q238 S244 L246	Q238-Q242 WeakPolarHBondContact O-CB 3.38Å; Q238-Q242 PolarHBondContact O-N 3.42Å; Q242-S244 VanDerWaalsContact C-N 3.28Å; Q242-S244 PolarHBondContact O-N 2.99Å; Q242-L246 HydrophobicContact CG-CD1 4.23Å
243	N	48.9	Very low	60.9	Low	154 Å²	154	122.2 Å²	122.2	82%	0.824	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.5	-0.8	178.8	-129.1	14.3	0	0	0	114.3	V241	V241-N243 PolarHBondContact O-N 3.39Å; V241-N243 VanDerWaalsContact O-N 3.15Å
244	S	52.1	Low	60.2	Low	72 Å²	72	123.4 Å²	123.4	50%	0.503	59%	0.591	S	S	.	*	T	Hydrogen-bonded Turn	trans	-137	-19	-170.8	64.1	0	0	0	0	119	V241 Q242	V241-S244 PolarHBondContact O-N 3.47Å; V241-S244 PolarHBondContact O-OG 3.22Å; Q242-S244 VanDerWaalsContact C-N 3.28Å; Q242-S244 PolarHBondContact O-N 2.99Å
245	N	54.7	Low	59.4	Low	97 Å²	97	125.8 Å²	125.8	52%	0.519	60%	0.597	S	S	.	*			trans	-160.8	91.1	-179	-85.8	-54	0	0	0	113.4	K249	N245-K249 HydrophobicContact CB-CD 4.07Å
246	L	54.2	Low	59.1	Low	108 Å²	108	126 Å²	126	57%	0.565	60%	0.599	S	S	*	*			trans	-92.5	-30.6	-167.3	-140.6	73.7	0	0	0	118.2	Q242	Q242-L246 HydrophobicContact CG-CD1 4.23Å
247	P	51.9	Low	59.3	Low	112 Å²	112	122 Å²	122	73%	0.727	59%	0.589	S	S	*	*	S	Bend	trans	-94.2	-33.3	-167.5	-10.2	28.4	0	0	0	116.8
248	L	52.9	Low	59.8	Low	152 Å²	152	122.3 Å²	122.3	80%	0.796	59%	0.588	S	S	*	*	H	α-helix	trans	-98.6	-24.5	-171.1	-78.8	162.1	0	0	0	114.5
249	K	57.6	Low	60.2	Low	90 Å²	90	122.7 Å²	122.7	39%	0.391	59%	0.59	S	S	.	*	H	α-helix	trans	-71.2	-37.7	174.1	-70.8	-177.3	-180	-179.3	0	111.7	N245 K251 R252 H253	N245-K249 HydrophobicContact CB-CD 4.07Å; K249-K251 VanDerWaalsContact C-N 3.32Å; K249-K251 PolarHBondContact O-N 3.09Å; K249-R252 PolarHBondContact O-N 2.98Å; K249-H253 WeakPolarHBondContact O-CB 3.03Å; K249-H253 PolarHBondContact O-CD2 2.64Å; K249-H253 PolarHBondContact O-N 2.89Å
250	M	57.3	Low	61.1	Low	112 Å²	112	121.1 Å²	121.1	55%	0.552	59%	0.585	S	S	*	*	H	α-helix	trans	-57.2	-44.2	-179.5	-169.7	67.8	81.3	0	0	111.8	L254	M250-L254 HydrophobicContact CG-CD1 4.08Å; M250-L254 WeakPolarHBondContact O-CB 3.45Å; M250-L254 WeakPolarHBondContact O-CD1 3.37Å; M250-L254 WeakPolarHBondContact O-CG 3Å; M250-L254 PolarHBondContact O-N 3.23Å
251	K	58.7	Low	62.1	Low	143 Å²	143	117.9 Å²	117.9	62%	0.622	57%	0.574	S	S	*	*	H	α-helix	trans	-66.3	-42.3	179.4	-131.3	174.8	-175.5	177.4	0	111.9	K249 L254 Y255	K249-K251 VanDerWaalsContact C-N 3.32Å; K249-K251 PolarHBondContact O-N 3.09Å; K251-L254 PolarHBondContact O-N 2.99Å; K251-Y255 HydrophobicContact CG-CE2 4.29Å; K251-Y255 WeakPolarHBondContact O-CD2 3.28Å; K251-Y255 PolarHBondContact O-N 2.97Å
252	R	60.7	Low	63.3	Low	202 Å²	202	120.5 Å²	120.5	76%	0.762	59%	0.585	S	S	*	*	H	α-helix	trans	-70.7	-39	179.8	-152	177.6	-115.1	-179.7	-2.2	112.1	K249 Y255 M256	K249-R252 PolarHBondContact O-N 2.98Å; R252-Y255 PolarHBondContact O-N 3.48Å; R252-M256 WeakPolarHBondContact O-CG 3.26Å; R252-M256 PolarHBondContact O-N 2.97Å
253	H	65.4	Low	64.9	Low	123 Å²	123	118.2 Å²	118.2	57%	0.569	58%	0.577	S	S	*	*	H	α-helix	trans	-64.9	-42.4	173	-81	-71	0	0	0	112.2	K249 Y255 M256 E257	K249-H253 WeakPolarHBondContact O-CB 3.03Å; K249-H253 PolarHBondContact O-CD2 2.64Å; K249-H253 PolarHBondContact O-N 2.89Å; H253-Y255 VanDerWaalsContact C-N 3.27Å; H253-Y255 PolarHBondContact O-N 2.98Å; H253-M256 PolarHBondContact O-N 3.18Å; H253-E257 WeakPolarHBondContact O-CB 3.4Å; H253-E257 PolarHBondContact O-N 3.47Å
254	L	65.6	Low	66.5	Low	80 Å²	80	114.5 Å²	114.5	42%	0.419	56%	0.56	S	S	.	*	H	α-helix	trans	-61.9	-33.5	176.3	-74.4	169.5	0	0	0	113	M250 K251 K258	M250-L254 HydrophobicContact CG-CD1 4.08Å; M250-L254 WeakPolarHBondContact O-CB 3.45Å; M250-L254 WeakPolarHBondContact O-CD1 3.37Å; M250-L254 WeakPolarHBondContact O-CG 3Å; M250-L254 PolarHBondContact O-N 3.23Å; K251-L254 PolarHBondContact O-N 2.99Å; L254-K258 WeakPolarHBondContact O-CB 3.13Å; L254-K258 WeakPolarHBondContact O-CG 2.92Å; L254-K258 PolarHBondContact O-N 2.84Å
255	Y	64.2	Low	67.9	Low	156 Å²	156	114.2 Å²	114.2	61%	0.612	56%	0.555	S	S	*	*	H	α-helix	trans	-73.4	-45.6	174.5	-78.8	-68.8	0	0	0	112.1	K251 R252 H253 E257 K258 E259	K251-Y255 HydrophobicContact CG-CE2 4.29Å; K251-Y255 WeakPolarHBondContact O-CD2 3.28Å; K251-Y255 PolarHBondContact O-N 2.97Å; R252-Y255 PolarHBondContact O-N 3.48Å; H253-Y255 VanDerWaalsContact C-N 3.27Å; H253-Y255 PolarHBondContact O-N 2.98Å; Y255-E257 PolarHBondContact O-N 3.34Å; Y255-K258 PolarHBondContact O-N 2.9Å; Y255-E259 WeakPolarHBondContact O-CB 3.36Å; Y255-E259 PolarHBondContact O-N 3.46Å
256	M	68.6	Low	69.2	Low	99 Å²	99	116 Å²	116	49%	0.488	56%	0.559	S	S	.	*	H	α-helix	trans	-65.4	-38.4	177.8	-65.4	-58	-60.1	0	0	112.3	R252 H253 E259 E260	R252-M256 WeakPolarHBondContact O-CG 3.26Å; R252-M256 PolarHBondContact O-N 2.97Å; H253-M256 PolarHBondContact O-N 3.18Å; M256-E259 PolarHBondContact O-N 3.43Å; M256-E260 WeakPolarHBondContact O-CG 3.37Å; M256-E260 PolarHBondContact O-N 3.45Å
257	E	73.9	Confident	70.8	Confident	109 Å²	109	119.3 Å²	119.3	51%	0.509	56%	0.564	S	S	.	*	H	α-helix	trans	-67.7	-39.7	177.7	-173.3	173.9	-165.3	0	0	111.3	H253 Y255 E259 E260 I261	H253-E257 WeakPolarHBondContact O-CB 3.4Å; H253-E257 PolarHBondContact O-N 3.47Å; Y255-E257 PolarHBondContact O-N 3.34Å; E257-E259 VanDerWaalsContact C-N 3.33Å; E257-E259 PolarHBondContact O-N 3.29Å; E257-E260 PolarHBondContact O-N 2.88Å; E257-I261 HydrophobicContact CG-CD1 4.1Å; E257-I261 WeakPolarHBondContact O-CB 3.14Å; E257-I261 WeakPolarHBondContact O-CD1 3.22Å; E257-I261 WeakPolarHBondContact O-CG1 3.44Å; E257-I261 PolarHBondContact O-N 2.85Å
258	K	75.9	Confident	72.3	Confident	134 Å²	134	117.5 Å²	117.5	58%	0.583	55%	0.554	S	S	*	*	H	α-helix	trans	-62.2	-41.2	170.5	-77.8	177.3	180	-173.5	0	111.8	L254 Y255 I261 L262	L254-K258 WeakPolarHBondContact O-CB 3.13Å; L254-K258 WeakPolarHBondContact O-CG 2.92Å; L254-K258 PolarHBondContact O-N 2.84Å; Y255-K258 PolarHBondContact O-N 2.9Å; K258-I261 PolarHBondContact O-N 2.91Å; K258-L262 WeakPolarHBondContact O-CB 3.37Å; K258-L262 VanDerWaalsContact O-CG 3.25Å; K258-L262 WeakPolarHBondContact O-CG 3.25Å; K258-L262 PolarHBondContact O-N 3.39Å
259	E	74.1	Confident	73.8	Confident	109 Å²	109	114.5 Å²	114.5	51%	0.509	54%	0.538	S	S	.	.	H	α-helix	trans	-67.8	-39.5	178.8	-163	170.3	-176.1	0	0	112	Y255 M256 E257 L262 L263	Y255-E259 WeakPolarHBondContact O-CB 3.36Å; Y255-E259 PolarHBondContact O-N 3.46Å; M256-E259 PolarHBondContact O-N 3.43Å; E257-E259 VanDerWaalsContact C-N 3.33Å; E257-E259 PolarHBondContact O-N 3.29Å; E259-L262 PolarHBondContact O-N 3.47Å; E259-L263 HydrophobicContact CG-CD1 4.39Å; E259-L263 WeakPolarHBondContact O-CB 3.41Å; E259-L263 VanDerWaalsContact O-CG 3.28Å; E259-L263 WeakPolarHBondContact O-CG 3.39Å; E259-L263 PolarHBondContact O-N 2.7Å
260	E	79.3	Confident	75.3	Confident	125 Å²	125	116.4 Å²	116.4	58%	0.584	55%	0.546	S	S	*	.	H	α-helix	trans	-66.7	-40.3	173.7	-76.3	-173.4	168.5	0	0	112.7	M256 E257 L262 L263 T264	M256-E260 WeakPolarHBondContact O-CG 3.37Å; M256-E260 PolarHBondContact O-N 3.45Å; E257-E260 PolarHBondContact O-N 2.88Å; E260-L262 VanDerWaalsContact C-N 3.33Å; E260-L263 PolarHBondContact O-N 3.41Å; E260-T264 WeakPolarHBondContact O-CB 3.34Å; E260-T264 VanDerWaalsContact O-CG2 3.28Å; E260-T264 WeakPolarHBondContact O-CG2 3.28Å; E260-T264 PolarHBondContact O-N 3.14Å; E260-T264 PolarHBondContact O-OG1 3.29Å
261	I	82.1	Confident	76.9	Confident	94 Å²	94	112.4 Å²	112.4	48%	0.482	53%	0.533	S	S	.	.	H	α-helix	trans	-63.5	-41.2	174.1	-68.2	164.7	0	0	0	110.4	E257 K258 T264 T265	E257-I261 HydrophobicContact CG-CD1 4.1Å; E257-I261 WeakPolarHBondContact O-CB 3.14Å; E257-I261 WeakPolarHBondContact O-CD1 3.22Å; E257-I261 WeakPolarHBondContact O-CG1 3.44Å; E257-I261 PolarHBondContact O-N 2.85Å; K258-I261 PolarHBondContact O-N 2.91Å; I261-T264 WeakPolarHBondContact CA-OG1 3.49Å; I261-T264 PolarHBondContact O-OG1 3.41Å; I261-T265 HydrophobicContact CG2-CG2 4.45Å; I261-T265 WeakPolarHBondContact O-CB 3.29Å; I261-T265 VanDerWaalsContact O-CG2 3.27Å; I261-T265 WeakPolarHBondContact O-CG2 3.41Å; I261-T265 PolarHBondContact O-N 3.47Å; I261-T265 PolarHBondContact O-OG1 2.99Å
262	L	79.9	Confident	78.4	Confident	118 Å²	118	113.1 Å²	113.1	62%	0.618	53%	0.532	S	S	*	.	H	α-helix	trans	-65.5	-41	174.8	-72.5	171.8	0	0	0	112	K258 E259 E260 T265 F266	K258-L262 WeakPolarHBondContact O-CB 3.37Å; K258-L262 VanDerWaalsContact O-CG 3.25Å; K258-L262 WeakPolarHBondContact O-CG 3.25Å; K258-L262 PolarHBondContact O-N 3.39Å; E259-L262 PolarHBondContact O-N 3.47Å; E260-L262 VanDerWaalsContact C-N 3.33Å; L262-T265 WeakPolarHBondContact CA-OG1 3.41Å; L262-T265 PolarHBondContact O-OG1 2.84Å; L262-F266 WeakPolarHBondContact O-CB 3.32Å; L262-F266 PolarHBondContact O-N 3.45Å
263	L	85.1	Confident	79.7	Confident	93 Å²	93	108.7 Å²	108.7	49%	0.487	52%	0.522	S	S	.	.	H	α-helix	trans	-68.2	-37.4	177.6	-75.4	168.6	0	0	0	112.8	E259 E260 R267	E259-L263 HydrophobicContact CG-CD1 4.39Å; E259-L263 WeakPolarHBondContact O-CB 3.41Å; E259-L263 VanDerWaalsContact O-CG 3.28Å; E259-L263 WeakPolarHBondContact O-CG 3.39Å; E259-L263 PolarHBondContact O-N 2.7Å; E260-L263 PolarHBondContact O-N 3.41Å; L263-R267 VanDerWaalsContact O-CB 3.28Å; L263-R267 WeakPolarHBondContact O-CB 3.27Å; L263-R267 PolarHBondContact O-N 3.2Å
264	T	81.8	Confident	80.9	Confident	76 Å²	76	106 Å²	106	47%	0.466	52%	0.515	S	S	.	.	H	α-helix	trans	-71.6	-42.8	177.6	50.6	0	0	0	0	111.9	E260 I261 R267 S268	E260-T264 WeakPolarHBondContact O-CB 3.34Å; E260-T264 VanDerWaalsContact O-CG2 3.28Å; E260-T264 WeakPolarHBondContact O-CG2 3.28Å; E260-T264 PolarHBondContact O-N 3.14Å; E260-T264 PolarHBondContact O-OG1 3.29Å; I261-T264 WeakPolarHBondContact CA-OG1 3.49Å; I261-T264 PolarHBondContact O-OG1 3.41Å; T264-R267 PolarHBondContact O-N 3.38Å; T264-S268 PolarHBondContact O-N 2.91Å
265	T	82.8	Confident	82.2	Confident	66 Å²	66	108.2 Å²	108.2	41%	0.405	52%	0.518	S	S	.	.	H	α-helix	trans	-63.6	-42.4	172.7	52.1	0	0	0	0	111.4	I261 L262 R267 S268 I269	I261-T265 HydrophobicContact CG2-CG2 4.45Å; I261-T265 WeakPolarHBondContact O-CB 3.29Å; I261-T265 VanDerWaalsContact O-CG2 3.27Å; I261-T265 WeakPolarHBondContact O-CG2 3.41Å; I261-T265 PolarHBondContact O-N 3.47Å; I261-T265 PolarHBondContact O-OG1 2.99Å; L262-T265 WeakPolarHBondContact CA-OG1 3.41Å; L262-T265 PolarHBondContact O-OG1 2.84Å; T265-R267 PolarHBondContact O-N 3.39Å; T265-S268 WeakPolarHBondContact O-CB 3.44Å; T265-S268 PolarHBondContact O-N 3.4Å; T265-I269 VanDerWaalsContact O-CG1 3.32Å; T265-I269 WeakPolarHBondContact O-CG1 3.24Å; T265-I269 PolarHBondContact O-N 3.45Å
266	F	80.9	Confident	83.5	Confident	135 Å²	135	105.5 Å²	105.5	59%	0.592	51%	0.511	S	S	*	.	H	α-helix	trans	-61.5	-41.3	173.7	-173.3	-99.6	0	0	0	112.3	L262 I269 K270	L262-F266 WeakPolarHBondContact O-CB 3.32Å; L262-F266 PolarHBondContact O-N 3.45Å; F266-I269 PolarHBondContact O-N 3.03Å; F266-K270 HydrophobicContact CE1-CD 4.44Å; F266-K270 VanDerWaalsContact O-CB 3.26Å; F266-K270 WeakPolarHBondContact O-CB 3.31Å; F266-K270 PolarHBondContact O-N 3.26Å
267	R	88.4	Confident	84.5	Confident	177 Å²	177	103.3 Å²	103.3	67%	0.668	51%	0.508	S	S	*	.	H	α-helix	trans	-64.9	-38.6	175.9	-165.2	179.4	-64.4	157.1	1	112	L263 T264 T265 G271	L263-R267 VanDerWaalsContact O-CB 3.28Å; L263-R267 WeakPolarHBondContact O-CB 3.27Å; L263-R267 PolarHBondContact O-N 3.2Å; T264-R267 PolarHBondContact O-N 3.38Å; T265-R267 PolarHBondContact O-N 3.39Å; R267-G271 PolarHBondContact O-N 3.07Å
268	S	83.6	Confident	85.4	Confident	74 Å²	74	105.3 Å²	105.3	52%	0.517	51%	0.511	S	S	.	.	H	α-helix	trans	-64	-47.4	173.6	-179.5	0	0	0	0	111.9	T264 T265 K270 G271 R272	T264-S268 PolarHBondContact O-N 2.91Å; T265-S268 WeakPolarHBondContact O-CB 3.44Å; T265-S268 PolarHBondContact O-N 3.4Å; S268-K270 PolarHBondContact O-N 2.84Å; S268-G271 PolarHBondContact O-N 3.22Å; S268-R272 WeakPolarHBondContact O-CG 3.24Å; S268-R272 PolarHBondContact O-N 2.77Å
269	I	84.1	Confident	86.2	Confident	90 Å²	90	103.3 Å²	103.3	46%	0.462	50%	0.504	S	S	.	.	H	α-helix	trans	-61.6	-44.8	176	-67.8	166.7	0	0	0	110.6	T265 F266 G271 R272 I273	T265-I269 VanDerWaalsContact O-CG1 3.32Å; T265-I269 WeakPolarHBondContact O-CG1 3.24Å; T265-I269 PolarHBondContact O-N 3.45Å; F266-I269 PolarHBondContact O-N 3.03Å; I269-G271 VanDerWaalsContact C-N 3.31Å; I269-G271 PolarHBondContact O-N 3.47Å; I269-R272 WeakPolarHBondContact O-CB 3.45Å; I269-R272 PolarHBondContact O-N 2.69Å; I269-R272 VanDerWaalsContact O-N 3.12Å; I269-I273 HydrophobicContact CG2-CD1 3.87Å; I269-I273 HydrophobicContact CG2-CG1 4.43Å; I269-I273 WeakPolarHBondContact O-CG1 3.22Å; I269-I273 PolarHBondContact O-N 3.27Å
270	K	89.3	Confident	87	Confident	130 Å²	130	103.2 Å²	103.2	57%	0.565	51%	0.506	S	S	*	.	H	α-helix	trans	-61.1	-39	175.1	-171.2	175.6	-178.5	177.9	0	112.1	F266 S268 I273 T274	F266-K270 HydrophobicContact CE1-CD 4.44Å; F266-K270 VanDerWaalsContact O-CB 3.26Å; F266-K270 WeakPolarHBondContact O-CB 3.31Å; F266-K270 PolarHBondContact O-N 3.26Å; S268-K270 PolarHBondContact O-N 2.84Å; K270-I273 PolarHBondContact O-N 2.81Å; K270-T274 WeakPolarHBondContact O-CG2 3.35Å; K270-T274 PolarHBondContact O-N 3.41Å; K270-T274 PolarHBondContact O-OG1 2.69Å
271	G	89.9	Confident	87.7	Confident	27 Å²	27	101.7 Å²	101.7	28%	0.278	50%	0.499	S	S	.	.	H	α-helix	trans	-64.2	-36.8	173.2	0	0	0	0	0	113.2	R267 S268 I269 T274 R275	R267-G271 PolarHBondContact O-N 3.07Å; S268-G271 PolarHBondContact O-N 3.22Å; I269-G271 VanDerWaalsContact C-N 3.31Å; I269-G271 PolarHBondContact O-N 3.47Å; G271-T274 WeakPolarHBondContact CA-OG1 3.31Å; G271-T274 PolarHBondContact O-OG1 3.38Å; G271-R275 PolarHBondContact O-N 3.33Å
272	R	91.3	Very high	88.3	Confident	159 Å²	159	103.7 Å²	103.7	60%	0.6	50%	0.504	S	S	*	.	H	α-helix	trans	-67.3	-49.4	172.8	-71	176.3	62.3	-174.3	-1.4	111.4	S268 I269 T274 R275 E276	S268-R272 WeakPolarHBondContact O-CG 3.24Å; S268-R272 PolarHBondContact O-N 2.77Å; I269-R272 WeakPolarHBondContact O-CB 3.45Å; I269-R272 PolarHBondContact O-N 2.69Å; I269-R272 VanDerWaalsContact O-N 3.12Å; R272-T274 VanDerWaalsContact C-N 3.27Å; R272-T274 PolarHBondContact O-N 3.47Å; R272-R275 WeakPolarHBondContact O-CA 3.43Å; R272-R275 WeakPolarHBondContact O-CB 3.25Å; R272-R275 PolarHBondContact O-N 2.96Å; R272-E276 WeakPolarHBondContact O-CG 3.21Å; R272-E276 PolarHBondContact O-N 2.97Å
273	I	87.8	Confident	88.9	Confident	108 Å²	108	103.5 Å²	103.5	55%	0.554	50%	0.503	S	S	*	.	H	α-helix	trans	-55.6	-43.3	177.9	-68.3	168.3	0	0	0	111.2	I269 K270 R275 A277	I269-I273 HydrophobicContact CG2-CD1 3.87Å; I269-I273 HydrophobicContact CG2-CG1 4.43Å; I269-I273 WeakPolarHBondContact O-CG1 3.22Å; I269-I273 PolarHBondContact O-N 3.27Å; K270-I273 PolarHBondContact O-N 2.81Å; I273-R275 VanDerWaalsContact C-N 3.32Å; I273-R275 PolarHBondContact O-N 3.49Å; I273-A277 VanDerWaalsContact O-CB 3.24Å; I273-A277 WeakPolarHBondContact O-CB 3.39Å; I273-A277 PolarHBondContact O-N 2.9Å
274	T	90.5	Very high	89.3	Confident	68 Å²	68	104.5 Å²	104.5	42%	0.417	50%	0.503	S	S	.	.	H	α-helix	trans	-71.7	-22	177.7	52.9	0	0	0	0	114	K270 G271 R272 R278	K270-T274 WeakPolarHBondContact O-CG2 3.35Å; K270-T274 PolarHBondContact O-N 3.41Å; K270-T274 PolarHBondContact O-OG1 2.69Å; G271-T274 WeakPolarHBondContact CA-OG1 3.31Å; G271-T274 PolarHBondContact O-OG1 3.38Å; R272-T274 VanDerWaalsContact C-N 3.27Å; R272-T274 PolarHBondContact O-N 3.47Å; T274-R278 WeakPolarHBondContact O-CG 2.9Å; T274-R278 PolarHBondContact O-N 3.17Å; T274-R278 PolarHBondContact O-NE 3.03Å
275	R	92	Very high	89.9	Confident	126 Å²	126	104.6 Å²	104.6	48%	0.475	50%	0.501	S	S	.	.	H	α-helix	trans	-77.5	-48.9	172.4	-169.8	-177.2	-65.4	98.1	-2.1	110.6	G271 R272 I273 A277 R278 E279	G271-R275 PolarHBondContact O-N 3.33Å; R272-R275 WeakPolarHBondContact O-CA 3.43Å; R272-R275 WeakPolarHBondContact O-CB 3.25Å; R272-R275 PolarHBondContact O-N 2.96Å; I273-R275 VanDerWaalsContact C-N 3.32Å; I273-R275 PolarHBondContact O-N 3.49Å; R275-A277 VanDerWaalsContact C-N 3.32Å; R275-A277 PolarHBondContact O-N 2.91Å; R275-R278 WeakPolarHBondContact O-CB 3.48Å; R275-R278 PolarHBondContact O-N 2.95Å; R275-E279 PolarHBondContact O-N 2.95Å
276	E	91.6	Very high	90.5	Very high	99 Å²	99	105.7 Å²	105.7	46%	0.463	50%	0.503	S	S	.	.	H	α-helix	trans	-57.7	-44.5	174.8	-65.1	-63.8	161.4	0	0	111.1	R272 R278 E279 I280	R272-E276 WeakPolarHBondContact O-CG 3.21Å; R272-E276 PolarHBondContact O-N 2.97Å; E276-R278 VanDerWaalsContact C-N 3.28Å; E276-R278 PolarHBondContact O-N 3.5Å; E276-E279 PolarHBondContact O-N 3.19Å; E276-E279 VanDerWaalsContact O-N 3.11Å; E276-I280 VanDerWaalsContact O-CG1 3.31Å; E276-I280 WeakPolarHBondContact O-CG1 3.39Å; E276-I280 PolarHBondContact O-N 3.24Å
277	A	89.6	Confident	91	Very high	53 Å²	53	106.5 Å²	106.5	44%	0.438	50%	0.503	S	S	.	.	H	α-helix	trans	-59.9	-36.6	175.8	0	0	0	0	0	112.7	I273 R275 E281	I273-A277 VanDerWaalsContact O-CB 3.24Å; I273-A277 WeakPolarHBondContact O-CB 3.39Å; I273-A277 PolarHBondContact O-N 2.9Å; R275-A277 VanDerWaalsContact C-N 3.32Å; R275-A277 PolarHBondContact O-N 2.91Å; A277-E281 WeakPolarHBondContact O-CB 3.49Å; A277-E281 PolarHBondContact O-N 3Å
278	R	92.6	Very high	91.3	Very high	150 Å²	150	100.6 Å²	100.6	57%	0.566	48%	0.484	S	S	*	.	H	α-helix	trans	-71.4	-36.1	174.9	-77.8	-179.7	-72.7	154.7	-5.8	112.3	T274 R275 E276 E281 K282	T274-R278 WeakPolarHBondContact O-CG 2.9Å; T274-R278 PolarHBondContact O-N 3.17Å; T274-R278 PolarHBondContact O-NE 3.03Å; R275-R278 WeakPolarHBondContact O-CB 3.48Å; R275-R278 PolarHBondContact O-N 2.95Å; E276-R278 VanDerWaalsContact C-N 3.28Å; E276-R278 PolarHBondContact O-N 3.5Å; R278-E281 PolarHBondContact O-N 2.94Å; R278-K282 VanDerWaalsContact O-CG 3.28Å; R278-K282 WeakPolarHBondContact O-CG 3.3Å; R278-K282 PolarHBondContact O-N 3.38Å
279	E	93.4	Very high	91.8	Very high	93 Å²	93	101.1 Å²	101.1	44%	0.435	48%	0.482	S	S	.	.	H	α-helix	trans	-68.5	-42.7	175.4	-74.9	-176.3	-170.6	0	0	111.6	R275 E276 E281 K282 L283	R275-E279 PolarHBondContact O-N 2.95Å; E276-E279 PolarHBondContact O-N 3.19Å; E276-E279 VanDerWaalsContact O-N 3.11Å; E279-E281 VanDerWaalsContact C-N 3.31Å; E279-E281 PolarHBondContact O-N 3.44Å; E279-K282 WeakPolarHBondContact O-CB 3.36Å; E279-K282 PolarHBondContact O-N 3.42Å; E279-L283 WeakPolarHBondContact O-CB 2.98Å; E279-L283 WeakPolarHBondContact O-CG 3.28Å; E279-L283 PolarHBondContact O-N 3.34Å
280	I	90.6	Very high	92	Very high	107 Å²	107	101.3 Å²	101.3	55%	0.549	48%	0.48	S	S	.	.	H	α-helix	trans	-57.5	-45.7	171.7	-68.1	167.7	0	0	0	110.4	E276 K282 L283 K284	E276-I280 VanDerWaalsContact O-CG1 3.31Å; E276-I280 WeakPolarHBondContact O-CG1 3.39Å; E276-I280 PolarHBondContact O-N 3.24Å; I280-K282 PolarHBondContact O-N 2.93Å; I280-L283 PolarHBondContact O-N 2.9Å; I280-K284 VanDerWaalsContact O-CB 3.25Å; I280-K284 WeakPolarHBondContact O-CB 3.46Å; I280-K284 PolarHBondContact O-N 3.47Å
281	E	93.8	Very high	91.9	Very high	93 Å²	93	100.3 Å²	100.3	44%	0.435	48%	0.478	S	S	.	.	H	α-helix	trans	-65.4	-38	178.9	-168.1	59.1	-146.3	0	0	112.3	A277 R278 E279 K284 N285	A277-E281 WeakPolarHBondContact O-CB 3.49Å; A277-E281 PolarHBondContact O-N 3Å; R278-E281 PolarHBondContact O-N 2.94Å; E279-E281 VanDerWaalsContact C-N 3.31Å; E279-E281 PolarHBondContact O-N 3.44Å; E281-K284 PolarHBondContact O-N 2.84Å; E281-N285 PolarHBondContact O-N 2.83Å; E281-N285 PolarHBondContact O-ND2 2.85Å
282	K	95.1	Very high	92	Very high	136 Å²	136	104.9 Å²	104.9	59%	0.591	49%	0.49	S	S	*	.	H	α-helix	trans	-62.3	-48.8	172.7	-75.1	173.3	-178.2	-176.4	0	111.8	R278 E279 I280 K284 N285 I286	R278-K282 VanDerWaalsContact O-CG 3.28Å; R278-K282 WeakPolarHBondContact O-CG 3.3Å; R278-K282 PolarHBondContact O-N 3.38Å; E279-K282 WeakPolarHBondContact O-CB 3.36Å; E279-K282 PolarHBondContact O-N 3.42Å; I280-K282 PolarHBondContact O-N 2.93Å; K282-K284 VanDerWaalsContact C-N 3.29Å; K282-K284 PolarHBondContact O-N 2.94Å; K282-N285 PolarHBondContact O-N 3.48Å; K282-I286 WeakPolarHBondContact O-CG1 3.43Å; K282-I286 PolarHBondContact O-N 2.87Å
283	L	93	Very high	92	Very high	114 Å²	114	103.3 Å²	103.3	60%	0.597	49%	0.488	S	S	*	.	H	α-helix	trans	-62.5	-38.5	178.6	-70.5	174.7	0	0	0	111.4	E279 I280 I286 Y287	E279-L283 WeakPolarHBondContact O-CB 2.98Å; E279-L283 WeakPolarHBondContact O-CG 3.28Å; E279-L283 PolarHBondContact O-N 3.34Å; I280-L283 PolarHBondContact O-N 2.9Å; L283-I286 PolarHBondContact O-N 3.47Å; L283-Y287 WeakPolarHBondContact O-CB 3.47Å; L283-Y287 PolarHBondContact O-N 3.06Å
284	K	94.3	Very high	91.6	Very high	114 Å²	114	104.5 Å²	104.5	50%	0.496	49%	0.489	S	S	.	.	H	α-helix	trans	-62.5	-44.1	175	-171	-179	179.5	-172.6	0	111.9	I280 E281 K282 Y287 I288	I280-K284 VanDerWaalsContact O-CB 3.25Å; I280-K284 WeakPolarHBondContact O-CB 3.46Å; I280-K284 PolarHBondContact O-N 3.47Å; E281-K284 PolarHBondContact O-N 2.84Å; K282-K284 VanDerWaalsContact C-N 3.29Å; K282-K284 PolarHBondContact O-N 2.94Å; K284-Y287 PolarHBondContact O-N 3.06Å; K284-I288 HydrophobicContact CG-CD1 4.12Å; K284-I288 VanDerWaalsContact O-CG1 3.26Å; K284-I288 WeakPolarHBondContact O-CG1 3.32Å; K284-I288 PolarHBondContact O-N 2.95Å
285	N	94.4	Very high	91.4	Very high	77 Å²	77	103.6 Å²	103.6	41%	0.412	49%	0.489	S	S	.	.	H	α-helix	trans	-64.8	-41.8	176	-74.2	-40.2	0	0	0	112.2	E281 K282 Y287 I288 D289	E281-N285 PolarHBondContact O-N 2.83Å; E281-N285 PolarHBondContact O-ND2 2.85Å; K282-N285 PolarHBondContact O-N 3.48Å; N285-Y287 PolarHBondContact O-N 3.37Å; N285-I288 PolarHBondContact O-N 3.16Å; N285-D289 PolarHBondContact O-N 3.49Å
286	I	94.9	Very high	91.3	Very high	89 Å²	89	105 Å²	105	46%	0.456	50%	0.498	S	S	.	.	H	α-helix	trans	-59.9	-46.6	174	-69.1	165.8	0	0	0	110.6	K282 L283 I288 D289 H290	K282-I286 WeakPolarHBondContact O-CG1 3.43Å; K282-I286 PolarHBondContact O-N 2.87Å; L283-I286 PolarHBondContact O-N 3.47Å; I286-I288 PolarHBondContact O-N 3.29Å; I286-D289 PolarHBondContact O-N 3.32Å; I286-H290 VanDerWaalsContact CG2-CD2 3.48Å; I286-H290 WeakPolarHBondContact CG2-CD2 3.45Å; I286-H290 PolarHBondContact O-CD2 2.86Å; I286-H290 PolarHBondContact O-N 2.94Å
287	Y	91.6	Very high	90.9	Very high	152 Å²	152	105.8 Å²	105.8	60%	0.596	50%	0.502	S	S	*	.	H	α-helix	trans	-59.4	-45.7	176.6	177.1	-94.8	0	0	0	112.2	L283 K284 N285 D289 H290 Q291	L283-Y287 WeakPolarHBondContact O-CB 3.47Å; L283-Y287 PolarHBondContact O-N 3.06Å; K284-Y287 PolarHBondContact O-N 3.06Å; N285-Y287 PolarHBondContact O-N 3.37Å; Y287-D289 VanDerWaalsContact C-N 3.32Å; Y287-D289 PolarHBondContact O-N 3.09Å; Y287-H290 PolarHBondContact O-N 3.1Å; Y287-Q291 WeakPolarHBondContact O-CB 3.14Å; Y287-Q291 PolarHBondContact O-N 3.47Å
288	I	94.3	Very high	90.2	Very high	53 Å²	53	106.5 Å²	106.5	27%	0.272	50%	0.503	S	S	.	.	H	α-helix	trans	-60.9	-41.6	176.5	-70.4	165.7	0	0	0	110.9	K284 N285 I286 Q291 K292	K284-I288 HydrophobicContact CG-CD1 4.12Å; K284-I288 VanDerWaalsContact O-CG1 3.26Å; K284-I288 WeakPolarHBondContact O-CG1 3.32Å; K284-I288 PolarHBondContact O-N 2.95Å; N285-I288 PolarHBondContact O-N 3.16Å; I286-I288 PolarHBondContact O-N 3.29Å; I288-Q291 PolarHBondContact O-N 3.37Å; I288-K292 HydrophobicContact CG2-CD 4.19Å; I288-K292 WeakPolarHBondContact O-CG 3.04Å; I288-K292 PolarHBondContact O-N 2.94Å
289	D	92.9	Very high	89.7	Confident	86 Å²	86	104.4 Å²	104.4	46%	0.46	50%	0.502	S	S	.	.	H	α-helix	trans	-67.5	-39.8	178	-76.6	-16	0	0	0	112.3	N285 I286 Y287 K292 K293	N285-D289 PolarHBondContact O-N 3.49Å; I286-D289 PolarHBondContact O-N 3.32Å; Y287-D289 VanDerWaalsContact C-N 3.32Å; Y287-D289 PolarHBondContact O-N 3.09Å; D289-K292 PolarHBondContact O-N 3.45Å; D289-K293 WeakPolarHBondContact O-CG 3.48Å; D289-K293 PolarHBondContact O-N 2.95Å
290	H	88.8	Confident	89.1	Confident	93 Å²	93	102.7 Å²	102.7	43%	0.431	50%	0.504	S	S	.	.	H	α-helix	trans	-62.5	-46.1	171.4	-79.5	-71.8	0	0	0	111.3	I286 Y287 K292 K293 F294	I286-H290 VanDerWaalsContact CG2-CD2 3.48Å; I286-H290 WeakPolarHBondContact CG2-CD2 3.45Å; I286-H290 PolarHBondContact O-CD2 2.86Å; I286-H290 PolarHBondContact O-N 2.94Å; Y287-H290 PolarHBondContact O-N 3.1Å; H290-K292 VanDerWaalsContact C-N 3.32Å; H290-K292 PolarHBondContact O-N 2.97Å; H290-K293 WeakPolarHBondContact O-CB 3.38Å; H290-K293 PolarHBondContact O-N 2.95Å; H290-K293 VanDerWaalsContact O-N 3.09Å; H290-F294 HydrophobicContact CB-CD2 4.41Å; H290-F294 HydrophobicContact CB-CE2 4.28Å; H290-F294 WeakPolarHBondContact O-CD2 3.49Å; H290-F294 PolarHBondContact O-N 3.21Å
291	Q	88.1	Confident	88.5	Confident	110 Å²	110	103.4 Å²	103.4	51%	0.514	51%	0.509	S	S	.	.	H	α-helix	trans	-59.3	-42	177.7	-168.7	178.5	11.4	0	0	111.8	Y287 I288 F294 A295	Y287-Q291 WeakPolarHBondContact O-CB 3.14Å; Y287-Q291 PolarHBondContact O-N 3.47Å; I288-Q291 PolarHBondContact O-N 3.37Å; Q291-F294 PolarHBondContact O-N 3.38Å; Q291-A295 WeakPolarHBondContact O-CB 3.43Å; Q291-A295 PolarHBondContact O-N 3.27Å
292	K	92.3	Very high	87.8	Confident	123 Å²	123	103.1 Å²	103.1	54%	0.535	51%	0.513	S	S	.	.	H	α-helix	trans	-63.6	-39.6	174	-74.2	172.6	-176.7	170	0	112.4	I288 D289 H290 A295 K296	I288-K292 HydrophobicContact CG2-CD 4.19Å; I288-K292 WeakPolarHBondContact O-CG 3.04Å; I288-K292 PolarHBondContact O-N 2.94Å; D289-K292 PolarHBondContact O-N 3.45Å; H290-K292 VanDerWaalsContact C-N 3.32Å; H290-K292 PolarHBondContact O-N 2.97Å; K292-A295 PolarHBondContact O-N 3.34Å; K292-K296 WeakPolarHBondContact O-CG 3.12Å; K292-K296 PolarHBondContact O-N 2.91Å; K292-K296 VanDerWaalsContact O-N 3.08Å
293	K	91.1	Very high	87	Confident	126 Å²	126	100.8 Å²	100.8	55%	0.548	51%	0.507	S	S	.	.	H	α-helix	trans	-65.1	-45.7	175.9	-74.3	172.9	-176.9	176.1	0	111.5	D289 H290 A295 K296 Q297	D289-K293 WeakPolarHBondContact O-CG 3.48Å; D289-K293 PolarHBondContact O-N 2.95Å; H290-K293 WeakPolarHBondContact O-CB 3.38Å; H290-K293 PolarHBondContact O-N 2.95Å; H290-K293 VanDerWaalsContact O-N 3.09Å; K293-A295 PolarHBondContact O-N 3.33Å; K293-K296 PolarHBondContact O-N 3.07Å; K293-Q297 WeakPolarHBondContact O-CG 3.09Å; K293-Q297 PolarHBondContact O-N 2.94Å
294	F	79.2	Confident	86.1	Confident	132 Å²	132	103.1 Å²	103.1	58%	0.579	51%	0.509	S	S	*	.	H	α-helix	trans	-62.1	-41.2	175.5	-75.6	-63.5	0	0	0	112	H290 Q291 K296 Q297 S298	H290-F294 HydrophobicContact CB-CD2 4.41Å; H290-F294 HydrophobicContact CB-CE2 4.28Å; H290-F294 WeakPolarHBondContact O-CD2 3.49Å; H290-F294 PolarHBondContact O-N 3.21Å; Q291-F294 PolarHBondContact O-N 3.38Å; F294-K296 PolarHBondContact O-N 3.49Å; F294-Q297 PolarHBondContact O-N 3.2Å; F294-S298 WeakPolarHBondContact O-CB 3.15Å; F294-S298 PolarHBondContact O-N 3.15Å
295	A	86.4	Confident	85.1	Confident	50 Å²	50	101 Å²	101	41%	0.413	51%	0.508	S	S	.	.	H	α-helix	trans	-60.5	-43	175.2	0	0	0	0	0	112.1	Q291 K292 K293 S298 I299	Q291-A295 WeakPolarHBondContact O-CB 3.43Å; Q291-A295 PolarHBondContact O-N 3.27Å; K292-A295 PolarHBondContact O-N 3.34Å; K293-A295 PolarHBondContact O-N 3.33Å; A295-S298 PolarHBondContact O-N 3.42Å; A295-I299 VanDerWaalsContact O-CG1 3.31Å; A295-I299 WeakPolarHBondContact O-CG1 3.46Å; A295-I299 PolarHBondContact O-N 2.93Å
296	K	88.6	Confident	84.3	Confident	156 Å²	156	102.6 Å²	102.6	68%	0.678	51%	0.513	S	S	*	.	H	α-helix	trans	-63.5	-42.2	175.1	-72.3	176.6	179.8	-175.1	0	112.5	K292 K293 F294 I299 A300	K292-K296 WeakPolarHBondContact O-CG 3.12Å; K292-K296 PolarHBondContact O-N 2.91Å; K292-K296 VanDerWaalsContact O-N 3.08Å; K293-K296 PolarHBondContact O-N 3.07Å; F294-K296 PolarHBondContact O-N 3.49Å; K296-I299 PolarHBondContact O-N 2.95Å; K296-A300 PolarHBondContact O-N 3.35Å
297	Q	85.1	Confident	83.3	Confident	115 Å²	115	105.1 Å²	105.1	54%	0.537	52%	0.518	S	S	.	.	H	α-helix	trans	-66.2	-39	176.7	-73.2	175	-19	0	0	112	K293 F294 A300 L301	K293-Q297 WeakPolarHBondContact O-CG 3.09Å; K293-Q297 PolarHBondContact O-N 2.94Å; F294-Q297 PolarHBondContact O-N 3.2Å; Q297-A300 PolarHBondContact O-N 2.98Å; Q297-L301 WeakPolarHBondContact O-CB 3.34Å; Q297-L301 VanDerWaalsContact O-CG 3.3Å; Q297-L301 WeakPolarHBondContact O-CG 3.46Å; Q297-L301 PolarHBondContact O-N 3.07Å
298	S	74.9	Confident	82.5	Confident	67 Å²	67	100.2 Å²	100.2	47%	0.469	50%	0.504	S	S	.	.	H	α-helix	trans	-62.5	-42.5	175.4	178.5	0	0	0	0	111.9	F294 A295 L301 T302	F294-S298 WeakPolarHBondContact O-CB 3.15Å; F294-S298 PolarHBondContact O-N 3.15Å; A295-S298 PolarHBondContact O-N 3.42Å; S298-L301 PolarHBondContact O-N 3Å; S298-T302 PolarHBondContact O-N 2.73Å; S298-T302 PolarHBondContact O-OG1 3.5Å
299	I	81.6	Confident	81.6	Confident	106 Å²	106	101.8 Å²	101.8	54%	0.544	51%	0.51	S	S	.	.	H	α-helix	trans	-62	-47.2	174	-65.9	164	0	0	0	110.6	A295 K296 L301 T302 D303	A295-I299 VanDerWaalsContact O-CG1 3.31Å; A295-I299 WeakPolarHBondContact O-CG1 3.46Å; A295-I299 PolarHBondContact O-N 2.93Å; K296-I299 PolarHBondContact O-N 2.95Å; I299-L301 VanDerWaalsContact C-N 3.34Å; I299-L301 PolarHBondContact O-N 3.46Å; I299-T302 WeakPolarHBondContact O-CB 3.28Å; I299-T302 PolarHBondContact O-N 2.93Å; I299-T302 VanDerWaalsContact O-N 3.08Å; I299-D303 PolarHBondContact O-N 3.46Å
300	A	80.1	Confident	80.8	Confident	58 Å²	58	103.4 Å²	103.4	48%	0.479	51%	0.513	S	S	.	.	H	α-helix	trans	-62.7	-36.8	178.4	0	0	0	0	0	113.5	K296 Q297 T302 D303 Y304	K296-A300 PolarHBondContact O-N 3.35Å; Q297-A300 PolarHBondContact O-N 2.98Å; A300-T302 VanDerWaalsContact C-N 3.33Å; A300-D303 PolarHBondContact O-N 2.91Å; A300-Y304 PolarHBondContact O-N 3.25Å; A300-Y304 VanDerWaalsContact O-N 3.14Å
301	L	79.2	Confident	79.8	Confident	122 Å²	122	105 Å²	105	64%	0.639	52%	0.521	S	S	*	.	H	α-helix	trans	-67.7	-34.5	173.6	-73.7	168.5	0	0	0	111.9	Q297 S298 I299 Y304 S305	Q297-L301 WeakPolarHBondContact O-CB 3.34Å; Q297-L301 VanDerWaalsContact O-CG 3.3Å; Q297-L301 WeakPolarHBondContact O-CG 3.46Å; Q297-L301 PolarHBondContact O-N 3.07Å; S298-L301 PolarHBondContact O-N 3Å; I299-L301 VanDerWaalsContact C-N 3.34Å; I299-L301 PolarHBondContact O-N 3.46Å; L301-Y304 PolarHBondContact O-N 2.95Å; L301-S305 PolarHBondContact O-N 3.3Å
302	T	77.8	Confident	79	Confident	86 Å²	86	105.4 Å²	105.4	53%	0.528	52%	0.522	S	S	.	.	H	α-helix	trans	-66.2	-40.3	174.9	-50.7	0	0	0	0	110.9	S298 I299 A300 Y304 S305 H306	S298-T302 PolarHBondContact O-N 2.73Å; S298-T302 PolarHBondContact O-OG1 3.5Å; I299-T302 WeakPolarHBondContact O-CB 3.28Å; I299-T302 PolarHBondContact O-N 2.93Å; I299-T302 VanDerWaalsContact O-N 3.08Å; A300-T302 VanDerWaalsContact C-N 3.33Å; T302-Y304 PolarHBondContact O-N 3.05Å; T302-S305 WeakPolarHBondContact O-CB 3.34Å; T302-S305 PolarHBondContact O-N 2.87Å; T302-H306 PolarHBondContact O-N 3.42Å
303	D	79.6	Confident	77.8	Confident	87 Å²	87	106.2 Å²	106.2	47%	0.465	52%	0.522	S	S	.	.	H	α-helix	trans	-62	-43.1	174.5	-70.1	-22.9	0	0	0	111.5	I299 A300 S305 H306 Y307	I299-D303 PolarHBondContact O-N 3.46Å; A300-D303 PolarHBondContact O-N 2.91Å; D303-S305 PolarHBondContact O-N 2.94Å; D303-H306 WeakPolarHBondContact O-CB 3.49Å; D303-H306 PolarHBondContact O-N 2.92Å; D303-H306 VanDerWaalsContact O-N 3.15Å; D303-Y307 HydrophobicContact CB-CE2 4.31Å; D303-Y307 WeakPolarHBondContact O-CD2 3.31Å; D303-Y307 PolarHBondContact O-N 2.89Å
304	Y	73.8	Confident	76.8	Confident	163 Å²	163	103.6 Å²	103.6	64%	0.639	51%	0.513	S	S	*	.	H	α-helix	trans	-60.1	-43.5	174.9	-175.4	-98.9	0	0	0	112.3	A300 L301 T302 H306 Y307 T308	A300-Y304 PolarHBondContact O-N 3.25Å; A300-Y304 VanDerWaalsContact O-N 3.14Å; L301-Y304 PolarHBondContact O-N 2.95Å; T302-Y304 PolarHBondContact O-N 3.05Å; Y304-H306 VanDerWaalsContact C-N 3.3Å; Y304-H306 PolarHBondContact O-N 3.49Å; Y304-Y307 PolarHBondContact O-N 3.37Å; Y304-T308 HydrophobicContact CD1-CG2 4.21Å; Y304-T308 HydrophobicContact CE1-CG2 3.79Å; Y304-T308 WeakPolarHBondContact O-CG2 3.4Å; Y304-T308 PolarHBondContact O-N 2.76Å; Y304-T308 PolarHBondContact O-OG1 3.41Å
305	S	72.8	Confident	76.2	Confident	69 Å²	69	103.8 Å²	103.8	48%	0.483	51%	0.514	S	S	.	.	H	α-helix	trans	-60.7	-38.2	173.8	179.8	0	0	0	0	112.5	L301 T302 D303 T308 Q309	L301-S305 PolarHBondContact O-N 3.3Å; T302-S305 WeakPolarHBondContact O-CB 3.34Å; T302-S305 PolarHBondContact O-N 2.87Å; D303-S305 PolarHBondContact O-N 2.94Å; S305-T308 WeakPolarHBondContact CA-OG1 3.35Å; S305-T308 PolarHBondContact O-OG1 3.33Å; S305-Q309 VanDerWaalsContact O-CB 3.32Å; S305-Q309 WeakPolarHBondContact O-CB 3.35Å; S305-Q309 PolarHBondContact O-N 3.24Å
306	H	77.9	Confident	75	Confident	111 Å²	111	104.7 Å²	104.7	51%	0.514	51%	0.512	S	S	.	.	H	α-helix	trans	-67.6	-38.6	175.3	-176.2	-98.1	0	0	0	112.1	T302 D303 Y304 K310	T302-H306 PolarHBondContact O-N 3.42Å; D303-H306 WeakPolarHBondContact O-CB 3.49Å; D303-H306 PolarHBondContact O-N 2.92Å; D303-H306 VanDerWaalsContact O-N 3.15Å; Y304-H306 VanDerWaalsContact C-N 3.3Å; Y304-H306 PolarHBondContact O-N 3.49Å; H306-K310 WeakPolarHBondContact O-CB 3.34Å; H306-K310 PolarHBondContact O-N 3.45Å
307	Y	74.3	Confident	73.8	Confident	142 Å²	142	103.5 Å²	103.5	56%	0.557	51%	0.509	S	S	*	.	H	α-helix	trans	-65.4	-42.8	174.8	-74.4	-65.8	0	0	0	112.9	D303 Y304 K310 H311	D303-Y307 HydrophobicContact CB-CE2 4.31Å; D303-Y307 WeakPolarHBondContact O-CD2 3.31Å; D303-Y307 PolarHBondContact O-N 2.89Å; Y304-Y307 PolarHBondContact O-N 3.37Å; Y307-K310 PolarHBondContact O-N 2.89Å; Y307-H311 PolarHBondContact O-N 3.21Å; Y307-H311 PolarHBondContact O-ND1 2.99Å; Y307-H311 VanDerWaalsContact O-ND1 3.07Å
308	T	74.8	Confident	72.5	Confident	50 Å²	50	102.2 Å²	102.2	31%	0.307	51%	0.509	S	S	.	.	H	α-helix	trans	-65.5	-44.4	177.2	55.2	0	0	0	0	110.9	Y304 S305 K310 H311 E312	Y304-T308 HydrophobicContact CD1-CG2 4.21Å; Y304-T308 HydrophobicContact CE1-CG2 3.79Å; Y304-T308 WeakPolarHBondContact O-CG2 3.4Å; Y304-T308 PolarHBondContact O-N 2.76Å; Y304-T308 PolarHBondContact O-OG1 3.41Å; S305-T308 WeakPolarHBondContact CA-OG1 3.35Å; S305-T308 PolarHBondContact O-OG1 3.33Å; T308-K310 VanDerWaalsContact C-N 3.33Å; T308-K310 PolarHBondContact O-N 3.43Å; T308-H311 PolarHBondContact O-N 3.45Å; T308-E312 WeakPolarHBondContact O-CG 3.24Å; T308-E312 PolarHBondContact O-N 3.33Å
309	Q	75.4	Confident	71.9	Confident	85 Å²	85	105.1 Å²	105.1	40%	0.397	51%	0.513	S	S	.	.	H	α-helix	trans	-62.6	-38.5	176.7	-166.4	178.3	38.8	0	0	112.3	S305 E312 R313	S305-Q309 VanDerWaalsContact O-CB 3.32Å; S305-Q309 WeakPolarHBondContact O-CB 3.35Å; S305-Q309 PolarHBondContact O-N 3.24Å; Q309-E312 PolarHBondContact O-N 3.02Å; Q309-R313 VanDerWaalsContact CD-NH2 3.26Å; Q309-R313 WeakPolarHBondContact O-CB 3.39Å; Q309-R313 VanDerWaalsContact O-CG 3.27Å; Q309-R313 WeakPolarHBondContact O-CG 3.31Å; Q309-R313 PolarHBondContact O-N 3.2Å
310	K	74.2	Confident	71	Confident	120 Å²	120	103.2 Å²	103.2	52%	0.522	51%	0.508	S	S	.	.	H	α-helix	trans	-64.1	-44.3	174.4	-176.6	178.3	177.5	-178.8	0	111.6	H306 Y307 T308 R313 I314	H306-K310 WeakPolarHBondContact O-CB 3.34Å; H306-K310 PolarHBondContact O-N 3.45Å; Y307-K310 PolarHBondContact O-N 2.89Å; T308-K310 VanDerWaalsContact C-N 3.33Å; T308-K310 PolarHBondContact O-N 3.43Å; K310-R313 PolarHBondContact O-N 3.31Å; K310-I314 HydrophobicContact CG-CD1 3.91Å; K310-I314 VanDerWaalsContact O-CG1 3.28Å; K310-I314 WeakPolarHBondContact O-CG1 3.26Å; K310-I314 PolarHBondContact O-N 2.87Å
311	H	68	Low	70.3	Confident	128 Å²	128	107.6 Å²	107.6	59%	0.593	51%	0.512	S	S	*	.	H	α-helix	trans	-63.5	-41.5	176.6	-77.1	127.9	0	0	0	112.3	Y307 T308 I314 K315	Y307-H311 PolarHBondContact O-N 3.21Å; Y307-H311 PolarHBondContact O-ND1 2.99Å; Y307-H311 VanDerWaalsContact O-ND1 3.07Å; T308-H311 PolarHBondContact O-N 3.45Å; H311-I314 PolarHBondContact O-N 2.93Å; H311-K315 VanDerWaalsContact O-CB 3.22Å; H311-K315 WeakPolarHBondContact O-CB 3.32Å; H311-K315 PolarHBondContact O-N 3.3Å
312	E	71.8	Confident	69.9	Low	117 Å²	117	107.3 Å²	107.3	55%	0.547	51%	0.508	S	S	.	.	H	α-helix	trans	-65.1	-43.7	176.3	-75	179.6	172.4	0	0	112.1	T308 Q309 I314 K315 N316	T308-E312 WeakPolarHBondContact O-CG 3.24Å; T308-E312 PolarHBondContact O-N 3.33Å; Q309-E312 PolarHBondContact O-N 3.02Å; E312-I314 PolarHBondContact O-N 3.41Å; E312-K315 PolarHBondContact O-N 3.06Å; E312-N316 VanDerWaalsContact O-CB 3.24Å; E312-N316 WeakPolarHBondContact O-CB 3.22Å; E312-N316 VanDerWaalsContact O-CG 3.23Å; E312-N316 PolarHBondContact O-N 3.04Å; E312-N316 PolarHBondContact O-ND2 2.99Å
313	R	68.2	Low	69.6	Low	140 Å²	140	108.8 Å²	108.8	53%	0.528	51%	0.507	S	S	.	.	H	α-helix	trans	-59.5	-46.5	174.3	-74	176.9	-173.2	176.1	6.8	111.5	Q309 K310 Q317	Q309-R313 VanDerWaalsContact CD-NH2 3.26Å; Q309-R313 WeakPolarHBondContact O-CB 3.39Å; Q309-R313 VanDerWaalsContact O-CG 3.27Å; Q309-R313 WeakPolarHBondContact O-CG 3.31Å; Q309-R313 PolarHBondContact O-N 3.2Å; K310-R313 PolarHBondContact O-N 3.31Å; R313-Q317 WeakPolarHBondContact O-CA 3.49Å; R313-Q317 WeakPolarHBondContact O-CB 3.44Å; R313-Q317 PolarHBondContact O-N 3.31Å
314	I	68.9	Low	69.1	Low	71 Å²	71	106.4 Å²	106.4	36%	0.364	50%	0.499	S	S	.	.	I	π-helix	trans	-64.9	-42.7	178.9	-67.8	167.9	0	0	0	111.1	K310 H311 E312 V318 K319	K310-I314 HydrophobicContact CG-CD1 3.91Å; K310-I314 VanDerWaalsContact O-CG1 3.28Å; K310-I314 WeakPolarHBondContact O-CG1 3.26Å; K310-I314 PolarHBondContact O-N 2.87Å; H311-I314 PolarHBondContact O-N 2.93Å; E312-I314 PolarHBondContact O-N 3.41Å; I314-V318 WeakPolarHBondContact O-CB 3.45Å; I314-V318 PolarHBondContact O-N 2.72Å; I314-V318 VanDerWaalsContact O-N 3.14Å; I314-K319 PolarHBondContact O-N 3.14Å
315	K	67	Low	69.2	Low	136 Å²	136	101.1 Å²	101.1	59%	0.591	48%	0.481	S	S	*	.	I	π-helix	trans	-64.2	-50.5	179.3	-173.1	-177.4	177.7	-174.2	0	111.4	H311 E312 C320	H311-K315 VanDerWaalsContact O-CB 3.22Å; H311-K315 WeakPolarHBondContact O-CB 3.32Å; H311-K315 PolarHBondContact O-N 3.3Å; E312-K315 PolarHBondContact O-N 3.06Å; K315-C320 PolarHBondContact O-N 3.39Å; K315-C320 PolarHBondContact O-SG 3.04Å
316	N	62	Low	69.5	Low	69 Å²	69	99.3 Å²	99.3	37%	0.369	47%	0.468	S	S	.	.	I	π-helix	trans	-77.5	-41.3	-173.7	-64	-12.7	0	0	0	112.1	E312	E312-N316 VanDerWaalsContact O-CB 3.24Å; E312-N316 WeakPolarHBondContact O-CB 3.22Å; E312-N316 VanDerWaalsContact O-CG 3.23Å; E312-N316 PolarHBondContact O-N 3.04Å; E312-N316 PolarHBondContact O-ND2 2.99Å
317	Q	61.8	Low	69.4	Low	131 Å²	131	98.2 Å²	98.2	61%	0.612	47%	0.465	S	S	*	.	I	π-helix	trans	-89.8	-36.9	-171.9	-163	178.8	17.4	0	0	113.7	R313 R321	R313-Q317 WeakPolarHBondContact O-CA 3.49Å; R313-Q317 WeakPolarHBondContact O-CB 3.44Å; R313-Q317 PolarHBondContact O-N 3.31Å; Q317-R321 VanDerWaalsContact O-CB 3.28Å; Q317-R321 WeakPolarHBondContact O-CB 3.42Å
318	V	59.3	Low	69.5	Low	89 Å²	89	92.4 Å²	92.4	54%	0.539	45%	0.447	S	S	.	.	I	π-helix	trans	-99.1	-45.8	-172.9	-178	0	0	0	0	111.3	I314 H322	I314-V318 WeakPolarHBondContact O-CB 3.45Å; I314-V318 PolarHBondContact O-N 2.72Å; I314-V318 VanDerWaalsContact O-N 3.14Å; V318-H322 WeakPolarHBondContact O-CB 3.46Å; V318-H322 PolarHBondContact O-N 3.08Å
319	K	62	Low	69.8	Low	127 Å²	127	95.2 Å²	95.2	55%	0.552	46%	0.455	S	S	*	.	I	π-helix	trans	-80.6	-61.5	-177.1	-64	-174.7	-179.7	-177.6	0	111.4	I314 R321 H322 F323	I314-K319 PolarHBondContact O-N 3.14Å; K319-R321 PolarHBondContact O-N 2.97Å; K319-H322 PolarHBondContact O-N 3.38Å; K319-F323 HydrophobicContact CB-CD2 4.28Å; K319-F323 HydrophobicContact CB-CE2 4.24Å; K319-F323 WeakPolarHBondContact O-CB 3.18Å; K319-F323 WeakPolarHBondContact O-CD2 3.36Å; K319-F323 PolarHBondContact O-N 3.21Å
320	C	61.8	Low	70.2	Confident	66 Å²	66	98.4 Å²	98.4	45%	0.446	46%	0.463	S	S	.	.	I	π-helix	trans	-62.3	-43	-174.4	-65.1	0	0	0	0	113.1	K315 A324	K315-C320 PolarHBondContact O-N 3.39Å; K315-C320 PolarHBondContact O-SG 3.04Å; C320-A324 WeakPolarHBondContact O-CB 3.33Å; C320-A324 PolarHBondContact O-N 2.64Å
321	R	64.9	Low	70.5	Confident	151 Å²	151	97.4 Å²	97.4	57%	0.57	46%	0.459	S	S	*	.	H	α-helix	trans	-69.3	-42.8	179	-172.7	-179.6	173.1	129.7	-1.6	112.8	Q317 K319 I325	Q317-R321 VanDerWaalsContact O-CB 3.28Å; Q317-R321 WeakPolarHBondContact O-CB 3.42Å; K319-R321 PolarHBondContact O-N 2.97Å; R321-I325 HydrophobicContact CG-CD1 3.72Å; R321-I325 HydrophobicContact CG-CG1 4.44Å; R321-I325 WeakPolarHBondContact O-CB 3.37Å; R321-I325 WeakPolarHBondContact O-CD1 3.45Å; R321-I325 WeakPolarHBondContact O-CG1 3.27Å; R321-I325 PolarHBondContact O-N 3.37Å
322	H	71.5	Confident	71.2	Confident	116 Å²	116	93.6 Å²	93.6	54%	0.537	44%	0.441	S	S	.	.	H	α-helix	trans	-67.2	-42.6	179.7	-177.5	65.8	0	0	0	111.4	V318 K319 I325 T326	V318-H322 WeakPolarHBondContact O-CB 3.46Å; V318-H322 PolarHBondContact O-N 3.08Å; K319-H322 PolarHBondContact O-N 3.38Å; H322-I325 PolarHBondContact O-N 3.1Å; H322-T326 VanDerWaalsContact O-CB 3.23Å; H322-T326 WeakPolarHBondContact O-CB 3.47Å; H322-T326 PolarHBondContact O-N 2.95Å; H322-T326 PolarHBondContact O-OG1 3.32Å
323	F	71.3	Confident	71.8	Confident	117 Å²	117	94.3 Å²	94.3	51%	0.513	44%	0.444	S	S	.	.	H	α-helix	trans	-64.5	-46.3	175.4	-73.2	-60.5	0	0	0	111.4	K319 I325 T326 D327	K319-F323 HydrophobicContact CB-CD2 4.28Å; K319-F323 HydrophobicContact CB-CE2 4.24Å; K319-F323 WeakPolarHBondContact O-CB 3.18Å; K319-F323 WeakPolarHBondContact O-CD2 3.36Å; K319-F323 PolarHBondContact O-N 3.21Å; F323-I325 VanDerWaalsContact C-N 3.34Å; F323-I325 PolarHBondContact O-N 3.23Å; F323-T326 PolarHBondContact O-N 3.45Å; F323-T326 VanDerWaalsContact O-N 3.17Å; F323-D327 VanDerWaalsContact O-CB 3.3Å; F323-D327 WeakPolarHBondContact O-CB 3.24Å; F323-D327 VanDerWaalsContact O-CG 3.25Å; F323-D327 PolarHBondContact O-N 3.39Å
324	A	70.1	Confident	72.6	Confident	36 Å²	36	91 Å²	91	30%	0.298	44%	0.44	S	S	.	.	H	α-helix	trans	-59	-43	176.8	0	0	0	0	0	112.8	C320 A328	C320-A324 WeakPolarHBondContact O-CB 3.33Å; C320-A324 PolarHBondContact O-N 2.64Å; A324-A328 WeakPolarHBondContact O-CB 3.41Å; A324-A328 PolarHBondContact O-N 2.97Å
325	I	75.6	Confident	73.4	Confident	53 Å²	53	88.8 Å²	88.8	27%	0.272	43%	0.427	S	S	.	.	H	α-helix	trans	-68.2	-39.9	177	-67.8	168.6	0	0	0	111.3	R321 H322 F323 K329	R321-I325 HydrophobicContact CG-CD1 3.72Å; R321-I325 HydrophobicContact CG-CG1 4.44Å; R321-I325 WeakPolarHBondContact O-CB 3.37Å; R321-I325 WeakPolarHBondContact O-CD1 3.45Å; R321-I325 WeakPolarHBondContact O-CG1 3.27Å; R321-I325 PolarHBondContact O-N 3.37Å; H322-I325 PolarHBondContact O-N 3.1Å; F323-I325 VanDerWaalsContact C-N 3.34Å; F323-I325 PolarHBondContact O-N 3.23Å; I325-K329 HydrophobicContact CG2-CD 4.33Å; I325-K329 WeakPolarHBondContact O-CB 3.37Å; I325-K329 WeakPolarHBondContact O-CG 3.39Å; I325-K329 PolarHBondContact O-N 2.83Å
326	T	78.4	Confident	74.2	Confident	31 Å²	31	85.6 Å²	85.6	19%	0.19	42%	0.416	C	S	.	.	H	α-helix	trans	-71.1	-42.1	-178.3	-57.2	0	0	0	0	111.4	H322 F323 K329 R330	H322-T326 VanDerWaalsContact O-CB 3.23Å; H322-T326 WeakPolarHBondContact O-CB 3.47Å; H322-T326 PolarHBondContact O-N 2.95Å; H322-T326 PolarHBondContact O-OG1 3.32Å; F323-T326 PolarHBondContact O-N 3.45Å; F323-T326 VanDerWaalsContact O-N 3.17Å; T326-K329 PolarHBondContact O-N 2.99Å; T326-R330 WeakPolarHBondContact O-CG 3.22Å; T326-R330 PolarHBondContact O-N 3.28Å
327	D	75.2	Confident	75.5	Confident	87 Å²	87	86.7 Å²	86.7	47%	0.465	42%	0.42	S	S	.	.	H	α-helix	trans	-68	-39.5	177.8	-69.4	-18.4	0	0	0	110.8	F323 R330 F331	F323-D327 VanDerWaalsContact O-CB 3.3Å; F323-D327 WeakPolarHBondContact O-CB 3.24Å; F323-D327 VanDerWaalsContact O-CG 3.25Å; F323-D327 PolarHBondContact O-N 3.39Å; D327-R330 PolarHBondContact O-N 3.41Å; D327-F331 WeakPolarHBondContact O-CB 3.4Å; D327-F331 PolarHBondContact O-N 2.96Å
328	A	77.5	Confident	76.7	Confident	20 Å²	20	83.8 Å²	83.8	17%	0.165	41%	0.408	C	S	.	.	H	α-helix	trans	-59.4	-48.4	172.1	0	0	0	0	0	110.7	A324 R330 F331 E332 W382	A324-A328 WeakPolarHBondContact O-CB 3.41Å; A324-A328 PolarHBondContact O-N 2.97Å; A328-R330 PolarHBondContact O-N 2.95Å; A328-F331 WeakPolarHBondContact O-CA 3.42Å; A328-F331 WeakPolarHBondContact O-CB 3.45Å; A328-F331 PolarHBondContact O-N 2.94Å; A328-E332 PolarHBondContact O-N 2.92Å; A328-W382 HydrophobicContact CB-CD2 3.46Å; A328-W382 VanDerWaalsContact CB-CD2 3.46Å; A328-W382 VanDerWaalsContact CB-CE2 3.49Å; A328-W382 HydrophobicContact CB-CE3 3.44Å; A328-W382 VanDerWaalsContact CB-CE3 3.44Å; A328-W382 HydrophobicContact CB-CG 4.32Å; A328-W382 HydrophobicContact CB-CH2 3.84Å; A328-W382 HydrophobicContact CB-CZ2 3.7Å; A328-W382 HydrophobicContact CB-CZ3 3.63Å; A328-W382 WeakPolarHBondContact O-CZ2 3.28Å
329	K	80.9	Confident	77.9	Confident	109 Å²	109	79.8 Å²	79.8	47%	0.474	38%	0.383	S	S	.	.	H	α-helix	trans	-55	-50.9	177.9	-80.6	177.8	178.2	-163.2	0	112.6	I325 T326 F331 E332 E333 W382	I325-K329 HydrophobicContact CG2-CD 4.33Å; I325-K329 WeakPolarHBondContact O-CB 3.37Å; I325-K329 WeakPolarHBondContact O-CG 3.39Å; I325-K329 PolarHBondContact O-N 2.83Å; T326-K329 PolarHBondContact O-N 2.99Å; K329-F331 PolarHBondContact O-N 3.01Å; K329-E332 PolarHBondContact O-N 3.18Å; K329-E333 WeakPolarHBondContact O-CG 3.3Å; K329-E333 PolarHBondContact O-N 3.39Å; K329-W382 HydrophobicContact CB-CH2 3.78Å; K329-W382 HydrophobicContact CB-CZ2 4.48Å; K329-W382 HydrophobicContact CG-CH2 3.28Å; K329-W382 HydrophobicContact CG-CZ2 4.37Å; K329-W382 HydrophobicContact CG-CZ3 3.75Å
330	R	83.4	Confident	79.1	Confident	153 Å²	153	80.1 Å²	80.1	58%	0.577	39%	0.387	S	S	*	.	H	α-helix	trans	-58.7	-40.2	177.4	-72.3	172.3	174.7	-179.9	-3.1	111.5	T326 D327 A328 V334	T326-R330 WeakPolarHBondContact O-CG 3.22Å; T326-R330 PolarHBondContact O-N 3.28Å; D327-R330 PolarHBondContact O-N 3.41Å; A328-R330 PolarHBondContact O-N 2.95Å; R330-V334 WeakPolarHBondContact O-CB 3.45Å; R330-V334 WeakPolarHBondContact O-CG2 3.27Å; R330-V334 PolarHBondContact O-N 3.15Å
331	F	81.4	Confident	80.4	Confident	99 Å²	99	82.2 Å²	82.2	43%	0.434	39%	0.39	S	S	.	.	H	α-helix	trans	-68.9	-38.7	179.5	-176.4	-106.6	0	0	0	113.1	D327 A328 K329 W335	D327-F331 WeakPolarHBondContact O-CB 3.4Å; D327-F331 PolarHBondContact O-N 2.96Å; A328-F331 WeakPolarHBondContact O-CA 3.42Å; A328-F331 WeakPolarHBondContact O-CB 3.45Å; A328-F331 PolarHBondContact O-N 2.94Å; K329-F331 PolarHBondContact O-N 3.01Å; F331-W335 HydrophobicContact CE1-CE3 4.43Å; F331-W335 AromaticContact CZ-CE3 3.96Å; F331-W335 HydrophobicContact CZ-CE3 3.96Å; F331-W335 HydrophobicContact CZ-CZ3 4.38Å; F331-W335 VanDerWaalsContact O-CB 3.22Å; F331-W335 WeakPolarHBondContact O-CB 3.39Å; F331-W335 PolarHBondContact O-N 3.45Å
332	E	82.6	Confident	81.5	Confident	47 Å²	47	77.1 Å²	77.1	22%	0.22	38%	0.376	C	S	.	.	H	α-helix	trans	-62.5	-47.7	172.4	174	166.6	-142.2	0	0	112.2	A328 K329 V334 W335 L336 F379 W382	A328-E332 PolarHBondContact O-N 2.92Å; K329-E332 PolarHBondContact O-N 3.18Å; E332-V334 VanDerWaalsContact C-N 3.34Å; E332-V334 PolarHBondContact O-N 3.14Å; E332-W335 PolarHBondContact O-N 3.19Å; E332-L336 HydrophobicContact CG-CD1 3.98Å; E332-L336 WeakPolarHBondContact O-CG 3.37Å; E332-L336 PolarHBondContact O-N 2.85Å; E332-F379 HydrophobicContact CB-CE1 4.34Å; E332-F379 HydrophobicContact CB-CE2 4.36Å; E332-F379 HydrophobicContact CB-CZ 3.58Å; E332-F379 HydrophobicContact CG-CE1 3.7Å; E332-F379 HydrophobicContact CG-CZ 3.47Å; E332-F379 VanDerWaalsContact CG-CZ 3.47Å; E332-F379 WeakPolarHBondContact OE1-CE1 3.4Å; E332-W382 HydrophobicContact CB-CH2 4.47Å; E332-W382 HydrophobicContact CB-CZ2 3.46Å; E332-W382 VanDerWaalsContact CB-CZ2 3.46Å; E332-W382 HydrophobicContact CG-CZ2 4.29Å; E332-W382 WeakPolarHBondContact OE2-CH2 3.38Å; E332-W382 WeakPolarHBondContact OE2-CZ2 3.35Å
333	E	83.1	Confident	82.2	Confident	132 Å²	132	74.5 Å²	74.5	62%	0.617	36%	0.363	S	S	*	.	H	α-helix	trans	-58.7	-46.9	178.1	-71.3	169.2	-173.6	0	0	111	K329 M337	K329-E333 WeakPolarHBondContact O-CG 3.3Å; K329-E333 PolarHBondContact O-N 3.39Å; E333-M337 WeakPolarHBondContact O-CB 3.27Å; E333-M337 PolarHBondContact O-N 3.4Å; E333-M337 VanDerWaalsContact O-N 3.08Å
334	V	86.8	Confident	83	Confident	71 Å²	71	74.5 Å²	74.5	43%	0.43	36%	0.364	S	S	.	.	H	α-helix	trans	-66	-40.2	177.7	171.6	0	0	0	0	111.6	R330 E332 I338	R330-V334 WeakPolarHBondContact O-CB 3.45Å; R330-V334 WeakPolarHBondContact O-CG2 3.27Å; R330-V334 PolarHBondContact O-N 3.15Å; E332-V334 VanDerWaalsContact C-N 3.34Å; E332-V334 PolarHBondContact O-N 3.14Å; V334-I338 HydrophobicContact CG1-CD1 3.68Å; V334-I338 HydrophobicContact CG1-CG1 4.42Å; V334-I338 VanDerWaalsContact O-CG1 3.27Å; V334-I338 WeakPolarHBondContact O-CG1 3.5Å; V334-I338 PolarHBondContact O-N 2.9Å
335	W	85	Confident	83.9	Confident	25 Å²	25	77.3 Å²	77.3	10%	0.095	37%	0.374	C	S	.	.	H	α-helix	trans	-63.6	-49.8	179.1	-176.3	-79	0	0	0	111.7	F331 E332 M337 I338 E339 P378 F379 R608 D613 W617	F331-W335 HydrophobicContact CE1-CE3 4.43Å; F331-W335 AromaticContact CZ-CE3 3.96Å; F331-W335 HydrophobicContact CZ-CE3 3.96Å; F331-W335 HydrophobicContact CZ-CZ3 4.38Å; F331-W335 VanDerWaalsContact O-CB 3.22Å; F331-W335 WeakPolarHBondContact O-CB 3.39Å; F331-W335 PolarHBondContact O-N 3.45Å; E332-W335 PolarHBondContact O-N 3.19Å; W335-M337 VanDerWaalsContact C-N 3.33Å; W335-M337 PolarHBondContact O-N 3.41Å; W335-I338 PolarHBondContact O-N 3.08Å; W335-E339 PolarHBondContact NE1-OE2 3.34Å; W335-E339 VanDerWaalsContact O-CB 3.26Å; W335-E339 WeakPolarHBondContact O-CB 3.25Å; W335-E339 PolarHBondContact O-N 3.1Å; W335-P378 HydrophobicContact CZ2-CG 4.32Å; W335-F379 HydrophobicContact CB-CD2 4.13Å; W335-F379 HydrophobicContact CB-CE2 4.11Å; W335-F379 AromaticContact CD1-CD2 3.41Å; W335-F379 VanDerWaalsContact CD1-CD2 3.41Å; W335-F379 AromaticContact CD1-CG 3.68Å; W335-F379 HydrophobicContact CD2-CD2 4.04Å; W335-F379 AromaticContact CG-CD2 3.57Å; W335-F379 HydrophobicContact CG-CD2 3.57Å; W335-F379 HydrophobicContact CG-CE2 4.06Å; W335-F379 HydrophobicContact CG-CG 4.3Å; W335-F379 AromaticContact NE1-CD2 3.81Å; W335-F379 AromaticContact NE1-CG 3.95Å; W335-R608 VanDerWaalsContact CE3-NH1 3.35Å; W335-D613 HydrophobicContact CH2-CB 4.07Å; W335-W617 AromaticContact CH2-CE2 3.95Å; W335-W617 HydrophobicContact CH2-CZ2 4.09Å; W335-W617 AromaticContact CH2-NE1 3.23Å; W335-W617 AromaticContact CZ2-CZ2 3.93Å; W335-W617 HydrophobicContact CZ2-CZ2 3.93Å; W335-W617 AromaticContact CZ2-NE1 3.72Å; W335-W617 AromaticContact CZ3-NE1 3.94Å
336	L	84.4	Confident	84.5	Confident	69 Å²	69	75.2 Å²	75.2	36%	0.361	36%	0.364	S	S	.	.	H	α-helix	trans	-62.4	-42.1	-180	-70.1	173.7	0	0	0	111.3	E332 E339 E340 F379	E332-L336 HydrophobicContact CG-CD1 3.98Å; E332-L336 WeakPolarHBondContact O-CG 3.37Å; E332-L336 PolarHBondContact O-N 2.85Å; L336-E339 PolarHBondContact O-N 2.96Å; L336-E340 WeakPolarHBondContact O-CB 3.48Å; L336-E340 VanDerWaalsContact O-CG 3.3Å; L336-E340 WeakPolarHBondContact O-CG 3.35Å; L336-E340 PolarHBondContact O-N 3.44Å; L336-F379 HydrophobicContact CD2-CD1 4.45Å
337	M	88.3	Confident	84.9	Confident	92 Å²	92	78.6 Å²	78.6	45%	0.453	38%	0.378	S	S	.	.	H	α-helix	trans	-58.5	-49.8	175.7	-176.3	-166.3	75.6	0	0	111.7	E333 W335 E340 E341	E333-M337 WeakPolarHBondContact O-CB 3.27Å; E333-M337 PolarHBondContact O-N 3.4Å; E333-M337 VanDerWaalsContact O-N 3.08Å; W335-M337 VanDerWaalsContact C-N 3.33Å; W335-M337 PolarHBondContact O-N 3.41Å; M337-E340 PolarHBondContact O-N 3.2Å; M337-E341 WeakPolarHBondContact O-CG 3.27Å; M337-E341 PolarHBondContact O-N 2.93Å
338	I	86.4	Confident	85.6	Confident	69 Å²	69	81.8 Å²	81.8	35%	0.354	38%	0.383	S	S	.	.	H	α-helix	trans	-66.2	-40.9	179.3	-65.7	169.4	0	0	0	110.6	V334 W335 E340 E341 V342 W617	V334-I338 HydrophobicContact CG1-CD1 3.68Å; V334-I338 HydrophobicContact CG1-CG1 4.42Å; V334-I338 VanDerWaalsContact O-CG1 3.27Å; V334-I338 WeakPolarHBondContact O-CG1 3.5Å; V334-I338 PolarHBondContact O-N 2.9Å; W335-I338 PolarHBondContact O-N 3.08Å; I338-E340 VanDerWaalsContact C-N 3.33Å; I338-E340 PolarHBondContact O-N 3.42Å; I338-E341 PolarHBondContact O-N 3.26Å; I338-V342 HydrophobicContact CG2-CG2 4.16Å; I338-V342 VanDerWaalsContact O-CG2 3.31Å; I338-V342 WeakPolarHBondContact O-CG2 3.35Å; I338-V342 PolarHBondContact O-N 2.91Å; I338-W617 HydrophobicContact CG2-CH2 3.95Å
339	E	85.8	Confident	86.1	Confident	6 Å²	6	82.3 Å²	82.3	3%	0.028	39%	0.388	C	S	.	.	H	α-helix	trans	-61.1	-42.7	178	-170.4	179.4	158.5	0	0	111.5	W335 L336 K343 S377 Y616	W335-E339 PolarHBondContact NE1-OE2 3.34Å; W335-E339 VanDerWaalsContact O-CB 3.26Å; W335-E339 WeakPolarHBondContact O-CB 3.25Å; W335-E339 PolarHBondContact O-N 3.1Å; L336-E339 PolarHBondContact O-N 2.96Å; E339-K343 HydrophobicContact CG-CD 4.28Å; E339-K343 VanDerWaalsContact O-CB 3.3Å; E339-K343 WeakPolarHBondContact O-CB 3.5Å; E339-K343 WeakPolarHBondContact O-CG 3.38Å; E339-K343 PolarHBondContact O-N 3.39Å; E339-K343 WeakPolarHBondContact OE1-CE 3.48Å; E339-K343 IonicContact OE1-NZ 3.27Å; E339-K343 PolarHBondContact OE1-NZ 2.89Å; E339-S377 VanDerWaalsContact CD-OG 3.26Å; E339-S377 WeakPolarHBondContact OE1-CB 3.31Å; E339-S377 PolarHBondContact OE1-OG 3.47Å; E339-S377 PolarHBondContact OE2-OG 3.07Å; E339-Y616 HydrophobicContact CG-CE1 4.31Å; E339-Y616 WeakPolarHBondContact CG-OH 3.45Å; E339-Y616 PolarHBondContact OE1-OH 2.94Å
340	E	86.1	Confident	86.3	Confident	134 Å²	134	77.9 Å²	77.9	63%	0.626	37%	0.369	S	S	*	.	H	α-helix	trans	-63.9	-45.4	174.1	-74.4	175.8	-175.8	0	0	112.3	L336 M337 I338 V342 K343 H344	L336-E340 WeakPolarHBondContact O-CB 3.48Å; L336-E340 VanDerWaalsContact O-CG 3.3Å; L336-E340 WeakPolarHBondContact O-CG 3.35Å; L336-E340 PolarHBondContact O-N 3.44Å; M337-E340 PolarHBondContact O-N 3.2Å; I338-E340 VanDerWaalsContact C-N 3.33Å; I338-E340 PolarHBondContact O-N 3.42Å; E340-V342 PolarHBondContact O-N 3.5Å; E340-K343 PolarHBondContact O-N 3.08Å; E340-H344 WeakPolarHBondContact O-CB 3.36Å; E340-H344 PolarHBondContact O-N 2.97Å
341	E	90	Very high	86.4	Confident	109 Å²	109	72.4 Å²	72.4	51%	0.509	36%	0.357	S	S	.	.	H	α-helix	trans	-59.5	-47.7	177.4	-76.7	179.5	-177.6	0	0	111.9	M337 I338 H344 L345	M337-E341 WeakPolarHBondContact O-CG 3.27Å; M337-E341 PolarHBondContact O-N 2.93Å; I338-E341 PolarHBondContact O-N 3.26Å; E341-H344 PolarHBondContact O-N 3.44Å; E341-L345 WeakPolarHBondContact O-CG 3.41Å; E341-L345 PolarHBondContact O-N 3.24Å
342	V	88.1	Confident	86.7	Confident	45 Å²	45	71.3 Å²	71.3	27%	0.273	35%	0.354	S	S	.	.	H	α-helix	trans	-71.9	-35.7	-178.7	-172.5	0	0	0	0	111	I338 E340 H344 L345 A346 W617 L620	I338-V342 HydrophobicContact CG2-CG2 4.16Å; I338-V342 VanDerWaalsContact O-CG2 3.31Å; I338-V342 WeakPolarHBondContact O-CG2 3.35Å; I338-V342 PolarHBondContact O-N 2.91Å; E340-V342 PolarHBondContact O-N 3.5Å; V342-H344 VanDerWaalsContact C-N 3.32Å; V342-H344 PolarHBondContact O-N 3.04Å; V342-L345 PolarHBondContact O-N 2.84Å; V342-A346 VanDerWaalsContact O-CB 3.3Å; V342-A346 WeakPolarHBondContact O-CB 3.4Å; V342-A346 PolarHBondContact O-N 2.88Å; V342-W617 HydrophobicContact CB-CZ3 4.09Å; V342-W617 HydrophobicContact CG1-CZ3 4.27Å; V342-W617 HydrophobicContact CG2-CZ3 4.01Å; V342-L620 HydrophobicContact CB-CD2 3.76Å; V342-L620 HydrophobicContact CG1-CD2 3.21Å; V342-L620 HydrophobicContact CG1-CG 3.78Å
343	K	86.3	Confident	86.8	Confident	60 Å²	60	69.7 Å²	69.7	26%	0.261	35%	0.347	S	S	.	.	H	α-helix	trans	-59.7	-42.1	170.8	-79.3	174	-176	168.5	0	112	E339 E340 A346 Q347 L370 Y616	E339-K343 HydrophobicContact CG-CD 4.28Å; E339-K343 VanDerWaalsContact O-CB 3.3Å; E339-K343 WeakPolarHBondContact O-CB 3.5Å; E339-K343 WeakPolarHBondContact O-CG 3.38Å; E339-K343 PolarHBondContact O-N 3.39Å; E339-K343 WeakPolarHBondContact OE1-CE 3.48Å; E339-K343 IonicContact OE1-NZ 3.27Å; E339-K343 PolarHBondContact OE1-NZ 2.89Å; E340-K343 PolarHBondContact O-N 3.08Å; K343-A346 WeakPolarHBondContact O-CB 3.35Å; K343-A346 PolarHBondContact O-N 2.83Å; K343-Q347 VanDerWaalsContact O-CG 3.32Å; K343-Q347 WeakPolarHBondContact O-CG 3.38Å; K343-Q347 PolarHBondContact O-N 3.44Å; K343-L370 HydrophobicContact CB-CD2 4.1Å; K343-L370 HydrophobicContact CG-CD2 4.12Å; K343-Y616 WeakPolarHBondContact CE-OH 3.23Å
344	H	87.3	Confident	86.9	Confident	118 Å²	118	64.4 Å²	64.4	55%	0.546	33%	0.325	S	S	.	.	H	α-helix	trans	-64.7	-41.9	176.2	179	-94.4	0	0	0	111.8	E340 E341 V342 Q347 R348	E340-H344 WeakPolarHBondContact O-CB 3.36Å; E340-H344 PolarHBondContact O-N 2.97Å; E341-H344 PolarHBondContact O-N 3.44Å; V342-H344 VanDerWaalsContact C-N 3.32Å; V342-H344 PolarHBondContact O-N 3.04Å; H344-Q347 PolarHBondContact O-N 3Å; H344-R348 PolarHBondContact O-N 3Å
345	L	90	Very high	86.8	Confident	95 Å²	95	64.4 Å²	64.4	50%	0.497	33%	0.325	S	S	.	.	H	α-helix	trans	-63	-42.2	174.3	-71.1	174.4	0	0	0	112.2	E341 V342 R348 A349	E341-L345 WeakPolarHBondContact O-CG 3.41Å; E341-L345 PolarHBondContact O-N 3.24Å; V342-L345 PolarHBondContact O-N 2.84Å; L345-R348 PolarHBondContact O-N 3.01Å; L345-A349 WeakPolarHBondContact O-CB 3.46Å; L345-A349 PolarHBondContact O-N 3.44Å
346	A	87.1	Confident	86.8	Confident	9 Å²	9	65.1 Å²	65.1	7%	0.074	33%	0.33	C	S	.	.	H	α-helix	trans	-59.8	-47.2	175	0	0	0	0	0	112.2	V342 K343 R348 A349 L350 L370 L620 I623	V342-A346 VanDerWaalsContact O-CB 3.3Å; V342-A346 WeakPolarHBondContact O-CB 3.4Å; V342-A346 PolarHBondContact O-N 2.88Å; K343-A346 WeakPolarHBondContact O-CB 3.35Å; K343-A346 PolarHBondContact O-N 2.83Å; A346-R348 VanDerWaalsContact C-N 3.32Å; A346-R348 PolarHBondContact O-N 2.8Å; A346-A349 PolarHBondContact O-N 3.48Å; A346-L350 PolarHBondContact O-N 3.22Å; A346-L370 HydrophobicContact CB-CD1 3.97Å; A346-L620 HydrophobicContact CB-CD1 4.2Å; A346-I623 HydrophobicContact CB-CD1 3.32Å
347	Q	87	Confident	86.6	Confident	102 Å²	102	62 Å²	62	48%	0.477	32%	0.315	S	S	.	.	H	α-helix	trans	-59.4	-43.2	174.6	-73	172.8	-8.3	0	0	111.6	K343 H344 A349 L350 A351 L370	K343-Q347 VanDerWaalsContact O-CG 3.32Å; K343-Q347 WeakPolarHBondContact O-CG 3.38Å; K343-Q347 PolarHBondContact O-N 3.44Å; H344-Q347 PolarHBondContact O-N 3Å; Q347-A349 VanDerWaalsContact C-N 3.33Å; Q347-A349 PolarHBondContact O-N 2.95Å; Q347-L350 PolarHBondContact O-N 3.07Å; Q347-A351 WeakPolarHBondContact O-CB 3.33Å; Q347-A351 PolarHBondContact O-N 3.11Å; Q347-L370 HydrophobicContact CG-CB 4.47Å; Q347-L370 HydrophobicContact CG-CD1 4.38Å; Q347-L370 HydrophobicContact CG-CD2 3.78Å; Q347-L370 HydrophobicContact CG-CG 4.42Å
348	R	89.8	Confident	86.4	Confident	153 Å²	153	62.5 Å²	62.5	58%	0.577	32%	0.316	S	S	*	.	H	α-helix	trans	-63.1	-41.1	176.7	-162.8	178.9	96.4	173.5	5.6	111.6	H344 L345 A346 A351 I352	H344-R348 PolarHBondContact O-N 3Å; L345-R348 PolarHBondContact O-N 3.01Å; A346-R348 VanDerWaalsContact C-N 3.32Å; A346-R348 PolarHBondContact O-N 2.8Å; R348-A351 PolarHBondContact O-N 2.98Å; R348-I352 HydrophobicContact CG-CD1 4.22Å; R348-I352 WeakPolarHBondContact O-CD1 3.47Å; R348-I352 VanDerWaalsContact O-CG1 3.26Å; R348-I352 WeakPolarHBondContact O-CG1 3.34Å; R348-I352 PolarHBondContact O-N 2.98Å
349	A	87.8	Confident	86.1	Confident	32 Å²	32	66.8 Å²	66.8	26%	0.264	33%	0.334	S	S	.	.	H	α-helix	trans	-65.3	-43.9	178.6	0	0	0	0	0	111.5	L345 A346 Q347 A351 I352 D353 I624	L345-A349 WeakPolarHBondContact O-CB 3.46Å; L345-A349 PolarHBondContact O-N 3.44Å; A346-A349 PolarHBondContact O-N 3.48Å; Q347-A349 VanDerWaalsContact C-N 3.33Å; Q347-A349 PolarHBondContact O-N 2.95Å; A349-A351 PolarHBondContact O-N 3.2Å; A349-I352 PolarHBondContact O-N 2.97Å; A349-D353 PolarHBondContact O-N 3.03Å; A349-I624 HydrophobicContact CB-CD1 3.67Å
350	L	85.9	Confident	85.6	Confident	16 Å²	16	69.9 Å²	69.9	8%	0.084	35%	0.35	C	S	.	.	H	α-helix	trans	-63.4	-38	173.3	-74.2	173.6	0	0	0	112.7	A346 Q347 D353 S354 P368 L370 I623	A346-L350 PolarHBondContact O-N 3.22Å; Q347-L350 PolarHBondContact O-N 3.07Å; L350-D353 PolarHBondContact O-N 2.87Å; L350-S354 WeakPolarHBondContact O-CB 3.4Å; L350-S354 PolarHBondContact O-N 3.49Å; L350-P368 HydrophobicContact CD2-CG 4.36Å; L350-L370 HydrophobicContact CD1-CD1 3.86Å; L350-I623 HydrophobicContact CD1-CG2 3.79Å; L350-I623 HydrophobicContact CD2-CG2 3.57Å; L350-I623 HydrophobicContact CG-CG2 3.64Å
351	A	86.1	Confident	85.1	Confident	37 Å²	37	70.2 Å²	70.2	31%	0.306	35%	0.347	S	S	.	.	H	α-helix	trans	-64.2	-42.1	174.8	0	0	0	0	0	111.7	Q347 R348 A349 S354 V355	Q347-A351 WeakPolarHBondContact O-CB 3.33Å; Q347-A351 PolarHBondContact O-N 3.11Å; R348-A351 PolarHBondContact O-N 2.98Å; A349-A351 PolarHBondContact O-N 3.2Å; A351-S354 PolarHBondContact O-N 3.44Å; A351-V355 WeakPolarHBondContact O-CG2 3.09Å; A351-V355 PolarHBondContact O-N 2.91Å; A351-V355 VanDerWaalsContact O-N 3.14Å
352	I	86.7	Confident	84.1	Confident	76 Å²	76	68.1 Å²	68.1	39%	0.39	36%	0.355	S	S	.	.	H	α-helix	trans	-64.2	-45	174.6	-68.7	164.3	0	0	0	110.5	R348 A349 S354 V355 I356	R348-I352 HydrophobicContact CG-CD1 4.22Å; R348-I352 WeakPolarHBondContact O-CD1 3.47Å; R348-I352 VanDerWaalsContact O-CG1 3.26Å; R348-I352 WeakPolarHBondContact O-CG1 3.34Å; R348-I352 PolarHBondContact O-N 2.98Å; A349-I352 PolarHBondContact O-N 2.97Å; I352-S354 VanDerWaalsContact C-N 3.33Å; I352-S354 PolarHBondContact O-N 2.83Å; I352-V355 PolarHBondContact O-N 2.93Å; I352-I356 HydrophobicContact CG2-CD1 3.62Å; I352-I356 HydrophobicContact CG2-CG1 4.28Å; I352-I356 WeakPolarHBondContact O-CG1 3.33Å; I352-I356 PolarHBondContact O-N 3.43Å
353	D	85.8	Confident	82.9	Confident	13 Å²	13	69.8 Å²	69.8	7%	0.07	37%	0.368	C	S	.	.	H	α-helix	trans	-58.9	-44.1	176.8	-170.4	45.2	0	0	0	112	A349 L350 V355 I356 S357 I624 R628 W632	A349-D353 PolarHBondContact O-N 3.03Å; L350-D353 PolarHBondContact O-N 2.87Å; D353-V355 VanDerWaalsContact C-N 3.34Å; D353-V355 PolarHBondContact O-N 3.02Å; D353-I356 PolarHBondContact O-N 3.24Å; D353-S357 VanDerWaalsContact O-CB 3.24Å; D353-S357 WeakPolarHBondContact O-CB 3.44Å; D353-S357 PolarHBondContact O-N 3.17Å; D353-S357 PolarHBondContact O-OG 3.01Å; D353-S357 VanDerWaalsContact O-OG 3.09Å; D353-I624 HydrophobicContact CB-CD1 4.46Å; D353-R628 IonicContact OD1-NH1 3.83Å; D353-R628 WeakPolarHBondContact OD2-CD 3.44Å; D353-R628 IonicContact OD2-CZ 2.92Å; D353-R628 IonicContact OD2-NE 3.75Å; D353-R628 IonicContact OD2-NH1 2.83Å; D353-R628 PolarHBondContact OD2-NH1 3.49Å; D353-W632 HydrophobicContact CB-CH2 4.29Å; D353-W632 HydrophobicContact CB-CZ2 3.57Å; D353-W632 WeakPolarHBondContact OD1-CZ2 2.99Å; D353-W632 PolarHBondContact OD1-NE1 2.88Å; D353-W632 VanDerWaalsContact OD1-NE1 3.11Å
354	S	83.4	Confident	81.4	Confident	22 Å²	22	71.7 Å²	71.7	15%	0.154	39%	0.387	C	S	.	.	H	α-helix	trans	-59.9	-43.5	177.2	179.7	0	0	0	0	111.8	L350 A351 I352 Q358	L350-S354 WeakPolarHBondContact O-CB 3.4Å; L350-S354 PolarHBondContact O-N 3.49Å; A351-S354 PolarHBondContact O-N 3.44Å; I352-S354 VanDerWaalsContact C-N 3.33Å; I352-S354 PolarHBondContact O-N 2.83Å; S354-Q358 VanDerWaalsContact O-CB 3.25Å; S354-Q358 WeakPolarHBondContact O-CB 3.39Å; S354-Q358 PolarHBondContact O-N 2.92Å
355	V	85.3	Confident	80.1	Confident	70 Å²	70	70.4 Å²	70.4	42%	0.424	38%	0.381	S	S	.	.	H	α-helix	trans	-66.1	-43.8	177	173.2	0	0	0	0	111.5	A351 I352 D353 Q358 Q359	A351-V355 WeakPolarHBondContact O-CG2 3.09Å; A351-V355 PolarHBondContact O-N 2.91Å; A351-V355 VanDerWaalsContact O-N 3.14Å; I352-V355 PolarHBondContact O-N 2.93Å; D353-V355 VanDerWaalsContact C-N 3.34Å; D353-V355 PolarHBondContact O-N 3.02Å; V355-Q358 PolarHBondContact O-N 2.75Å; V355-Q359 WeakPolarHBondContact O-CB 3.35Å; V355-Q359 WeakPolarHBondContact O-CG 3.39Å; V355-Q359 PolarHBondContact O-N 3.2Å
356	I	84.7	Confident	78.6	Confident	41 Å²	41	74.6 Å²	74.6	21%	0.21	40%	0.398	C	S	.	.	H	α-helix	trans	-63	-47.6	177.8	-69.2	170.4	0	0	0	109.9	I352 D353 Q358 Q359 L360 W632	I352-I356 HydrophobicContact CG2-CD1 3.62Å; I352-I356 HydrophobicContact CG2-CG1 4.28Å; I352-I356 WeakPolarHBondContact O-CG1 3.33Å; I352-I356 PolarHBondContact O-N 3.43Å; D353-I356 PolarHBondContact O-N 3.24Å; I356-Q358 VanDerWaalsContact C-N 3.35Å; I356-Q358 PolarHBondContact O-N 3.03Å; I356-Q359 PolarHBondContact O-N 3.01Å; I356-L360 HydrophobicContact CG2-CD1 3.54Å; I356-L360 HydrophobicContact CG2-CG 4.22Å; I356-L360 WeakPolarHBondContact O-CB 3.33Å; I356-L360 VanDerWaalsContact O-CG 3.28Å; I356-L360 WeakPolarHBondContact O-CG 3.37Å; I356-L360 PolarHBondContact O-N 3.31Å; I356-W632 HydrophobicContact CD1-CD2 4.16Å; I356-W632 HydrophobicContact CD1-CG 4.46Å; I356-W632 HydrophobicContact CD1-CZ2 4.19Å
357	S	81.2	Confident	77.2	Confident	4 Å²	4	80.2 Å²	80.2	3%	0.028	42%	0.423	C	S	.	.	H	α-helix	trans	-63.7	-39.1	178.6	-68.7	0	0	0	0	111.9	D353 Q359 L360 Y361 R628	D353-S357 VanDerWaalsContact O-CB 3.24Å; D353-S357 WeakPolarHBondContact O-CB 3.44Å; D353-S357 PolarHBondContact O-N 3.17Å; D353-S357 PolarHBondContact O-OG 3.01Å; D353-S357 VanDerWaalsContact O-OG 3.09Å; S357-Q359 VanDerWaalsContact C-N 3.34Å; S357-Q359 PolarHBondContact O-N 3.42Å; S357-L360 PolarHBondContact O-N 3.14Å; S357-Y361 WeakPolarHBondContact O-CB 3.42Å; S357-Y361 WeakPolarHBondContact O-CD2 3.48Å; S357-Y361 PolarHBondContact O-N 3.28Å; S357-R628 PolarHBondContact OG-NH1 3.41Å
358	Q	82.8	Confident	76.1	Confident	102 Å²	102	78.1 Å²	78.1	48%	0.477	42%	0.418	S	S	.	.	H	α-helix	trans	-61	-42.8	173	-175	-177.2	10.8	0	0	111.6	S354 V355 I356 G362	S354-Q358 VanDerWaalsContact O-CB 3.25Å; S354-Q358 WeakPolarHBondContact O-CB 3.39Å; S354-Q358 PolarHBondContact O-N 2.92Å; V355-Q358 PolarHBondContact O-N 2.75Å; I356-Q358 VanDerWaalsContact C-N 3.35Å; I356-Q358 PolarHBondContact O-N 3.03Å; Q358-G362 WeakPolarHBondContact O-CA 3.46Å; Q358-G362 PolarHBondContact O-N 3.23Å
359	Q	80.3	Confident	74.7	Confident	158 Å²	158	74.8 Å²	74.8	74%	0.738	41%	0.412	S	S	*	.	H	α-helix	trans	-70.8	-33.9	179.3	-73.5	179.9	-7.9	0	0	113.1	V355 I356 S357	V355-Q359 WeakPolarHBondContact O-CB 3.35Å; V355-Q359 WeakPolarHBondContact O-CG 3.39Å; V355-Q359 PolarHBondContact O-N 3.2Å; I356-Q359 PolarHBondContact O-N 3.01Å; S357-Q359 VanDerWaalsContact C-N 3.34Å; S357-Q359 PolarHBondContact O-N 3.42Å
360	L	77	Confident	73.6	Confident	71 Å²	71	73.7 Å²	73.7	37%	0.372	40%	0.401	S	S	.	.	H	α-helix	trans	-84	-37.9	-178.2	-69.1	173.1	0	0	0	113.4	I356 S357 T635	I356-L360 HydrophobicContact CG2-CD1 3.54Å; I356-L360 HydrophobicContact CG2-CG 4.22Å; I356-L360 WeakPolarHBondContact O-CB 3.33Å; I356-L360 VanDerWaalsContact O-CG 3.28Å; I356-L360 WeakPolarHBondContact O-CG 3.37Å; I356-L360 PolarHBondContact O-N 3.31Å; S357-L360 PolarHBondContact O-N 3.14Å; L360-T635 HydrophobicContact CD1-CG2 3.79Å; L360-T635 HydrophobicContact CD2-CG2 3.77Å; L360-T635 HydrophobicContact CG-CG2 4.46Å
361	Y	74.8	Confident	72.5	Confident	141 Å²	141	78.7 Å²	78.7	55%	0.553	43%	0.428	S	S	*	.	H	α-helix	trans	-113.4	-6.9	-170.7	-59.5	-71.8	0	0	0	114.1	S357 S363 L631	S357-Y361 WeakPolarHBondContact O-CB 3.42Å; S357-Y361 WeakPolarHBondContact O-CD2 3.48Å; S357-Y361 PolarHBondContact O-N 3.28Å; Y361-S363 PolarHBondContact O-N 3.45Å; Y361-S363 VanDerWaalsContact O-N 3.11Å; Y361-L631 HydrophobicContact CE2-CD2 4.09Å; Y361-L631 WeakPolarHBondContact OH-CD2 3.36Å
362	G	68.1	Low	71.4	Confident	65 Å²	65	84.3 Å²	84.3	67%	0.67	45%	0.448	S	S	*	.	S	Bend	trans	70.5	1.7	174.3	0	0	0	0	0	115.7	Q358	Q358-G362 WeakPolarHBondContact O-CA 3.46Å; Q358-G362 PolarHBondContact O-N 3.23Å
363	S	63.2	Low	70.2	Confident	80 Å²	80	84.8 Å²	84.8	56%	0.559	45%	0.451	S	S	*	.	S	Bend	trans	-119	137	174.7	-62	0	0	0	0	110	Y361 E365	Y361-S363 PolarHBondContact O-N 3.45Å; Y361-S363 VanDerWaalsContact O-N 3.11Å; S363-E365 PolarHBondContact O-N 2.95Å; S363-E365 VanDerWaalsContact O-N 3.09Å
364	P	55.8	Low	69.1	Low	100 Å²	100	85.2 Å²	85.2	65%	0.649	45%	0.453	S	S	*	.			trans	-72.3	104.6	174.1	28.8	-30.2	0	0	0	108.3	Q366	P364-Q366 PolarHBondContact O-N 2.87Å
365	E	59.2	Low	68.3	Low	92 Å²	92	88.8 Å²	88.8	43%	0.43	47%	0.47	S	S	.	.			trans	-64	121.3	167.4	-159.3	166.1	-161.5	0	0	107.5	S363 Q367 R628	S363-E365 PolarHBondContact O-N 2.95Å; S363-E365 VanDerWaalsContact O-N 3.09Å; E365-Q367 PolarHBondContact O-N 2.92Å; E365-Q367 VanDerWaalsContact O-N 3.15Å; E365-R628 IonicContact OE1-CZ 3.51Å; E365-R628 IonicContact OE1-NH2 3.94Å; E365-R628 PolarHBondContact OE1-NH2 3.46Å; E365-R628 IonicContact OE2-CZ 3.51Å; E365-R628 VanDerWaalsContact OE2-CZ 3.27Å; E365-R628 IonicContact OE2-NH1 2.61Å; E365-R628 PolarHBondContact OE2-NH1 2.89Å; E365-R628 IonicContact OE2-NH2 3.99Å; E365-R628 PolarHBondContact OE2-NH2 3.01Å
366	Q	58.4	Low	67.4	Low	183 Å²	183	91 Å²	91	86%	0.855	49%	0.488	S	S	*	.			trans	-53.6	121.9	-179.3	-106.1	170.5	-29.5	0	0	108.6	P364 P368	P364-Q366 PolarHBondContact O-N 2.87Å; Q366-P368 WeakPolarHBondContact O-CD 3.37Å
367	Q	58.8	Low	66.5	Low	127 Å²	127	91 Å²	91	59%	0.593	49%	0.492	S	S	*	.			trans	-56.1	114	174.4	-80.6	-171.8	-29.9	0	0	108.2	E365 D369	E365-Q367 PolarHBondContact O-N 2.92Å; E365-Q367 VanDerWaalsContact O-N 3.15Å; Q367-D369 PolarHBondContact O-N 3Å
368	P	62.8	Low	65.8	Low	58 Å²	58	92.4 Å²	92.4	38%	0.377	50%	0.501	S	S	.	.			trans	-66.1	127.1	174.7	27	-31.1	0	0	0	107.5	L350 Q366 L370 L373	L350-P368 HydrophobicContact CD2-CG 4.36Å; Q366-P368 WeakPolarHBondContact O-CD 3.37Å; P368-L370 PolarHBondContact O-N 2.86Å; P368-L373 HydrophobicContact CB-CD1 3.54Å; P368-L373 HydrophobicContact CB-CD2 4.49Å; P368-L373 HydrophobicContact CB-CG 3.98Å; P368-L373 HydrophobicContact CG-CD1 3.51Å; P368-L373 HydrophobicContact CG-CG 4.48Å
369	D	61.6	Low	64.7	Low	83 Å²	83	88.5 Å²	88.5	44%	0.444	48%	0.483	S	S	.	.			trans	-60.5	125.8	178.7	-169.8	6	0	0	0	108.2	Q367 N371 Q372	Q367-D369 PolarHBondContact O-N 3Å; D369-N371 PolarHBondContact O-N 3.26Å; D369-Q372 HydrophobicContact CB-CG 4.02Å; D369-Q372 WeakPolarHBondContact O-CB 3.39Å; D369-Q372 PolarHBondContact O-N 3.49Å
370	L	64.3	Low	63.9	Low	9 Å²	9	90.8 Å²	90.8	5%	0.047	48%	0.484	C	S	.	.	H	α-helix	trans	-54.7	-32.3	-172.3	-171.3	79.4	0	0	0	111.1	K343 A346 Q347 L350 P368 Q372 L373 L374 I623	K343-L370 HydrophobicContact CB-CD2 4.1Å; K343-L370 HydrophobicContact CG-CD2 4.12Å; A346-L370 HydrophobicContact CB-CD1 3.97Å; Q347-L370 HydrophobicContact CG-CB 4.47Å; Q347-L370 HydrophobicContact CG-CD1 4.38Å; Q347-L370 HydrophobicContact CG-CD2 3.78Å; Q347-L370 HydrophobicContact CG-CG 4.42Å; L350-L370 HydrophobicContact CD1-CD1 3.86Å; P368-L370 PolarHBondContact O-N 2.86Å; L370-Q372 VanDerWaalsContact C-N 3.27Å; L370-Q372 PolarHBondContact O-N 2.91Å; L370-L373 PolarHBondContact O-N 3.09Å; L370-L374 HydrophobicContact CD1-CD1 4.14Å; L370-L374 HydrophobicContact CD2-CD1 3.89Å; L370-L374 HydrophobicContact CG-CD1 3.6Å; L370-L374 HydrophobicContact CG-CG 4.28Å; L370-L374 VanDerWaalsContact O-CG 3.26Å; L370-L374 WeakPolarHBondContact O-CG 3.08Å; L370-L374 PolarHBondContact O-N 3.46Å; L370-I623 HydrophobicContact CD1-CD1 4.29Å
371	N	63.2	Low	62.9	Low	121 Å²	121	91.1 Å²	91.1	65%	0.647	49%	0.491	S	S	*	.	H	α-helix	trans	-71.8	-17.1	179.8	-59	-45.1	0	0	0	114.1	D369	D369-N371 PolarHBondContact O-N 3.26Å
372	Q	61.8	Low	61.7	Low	155 Å²	155	87.9 Å²	87.9	72%	0.724	48%	0.478	S	S	*	.	H	α-helix	trans	-91.1	-23	178.9	-63.5	176.4	16.6	0	0	112.5	D369 L370	D369-Q372 HydrophobicContact CB-CG 4.02Å; D369-Q372 WeakPolarHBondContact O-CB 3.39Å; D369-Q372 PolarHBondContact O-N 3.49Å; L370-Q372 VanDerWaalsContact C-N 3.27Å; L370-Q372 PolarHBondContact O-N 2.91Å
373	L	60.8	Low	60.6	Low	85 Å²	85	90.2 Å²	90.2	45%	0.445	47%	0.469	S	S	.	.	H	α-helix	trans	-93.1	-23.3	178.7	-70.8	178.1	0	0	0	113.4	P368 L370	P368-L373 HydrophobicContact CB-CD1 3.54Å; P368-L373 HydrophobicContact CB-CD2 4.49Å; P368-L373 HydrophobicContact CB-CG 3.98Å; P368-L373 HydrophobicContact CG-CD1 3.51Å; P368-L373 HydrophobicContact CG-CG 4.48Å; L370-L373 PolarHBondContact O-N 3.09Å
374	L	64.5	Low	59.5	Low	23 Å²	23	91.5 Å²	91.5	12%	0.12	47%	0.474	C	S	.	.	S	Bend	trans	-89.6	140.7	-178	-67.6	176.4	0	0	0	111.9	L370 L620 I623	L370-L374 HydrophobicContact CD1-CD1 4.14Å; L370-L374 HydrophobicContact CD2-CD1 3.89Å; L370-L374 HydrophobicContact CG-CD1 3.6Å; L370-L374 HydrophobicContact CG-CG 4.28Å; L370-L374 VanDerWaalsContact O-CG 3.26Å; L370-L374 WeakPolarHBondContact O-CG 3.08Å; L370-L374 PolarHBondContact O-N 3.46Å; L374-L620 HydrophobicContact CD1-CD1 3.94Å; L374-L620 HydrophobicContact CD2-CB 4.26Å; L374-L620 HydrophobicContact CD2-CD1 3.47Å; L374-L620 VanDerWaalsContact CD2-CD1 3.47Å; L374-L620 HydrophobicContact CD2-CG 4.44Å; L374-L620 HydrophobicContact CG-CD1 4.36Å; L374-I623 HydrophobicContact CD2-CD1 4.24Å; L374-I623 HydrophobicContact CD2-CG1 4.41Å
375	L	66.7	Low	58.5	Low	97 Å²	97	97.8 Å²	97.8	51%	0.508	49%	0.485	S	S	.	.	P	Polyproline II helix	trans	-59.9	144.1	158.4	-73.4	101.1	0	0	0	108.9	S377 Y616	L375-S377 PolarHBondContact O-N 3.36Å; L375-Y616 HydrophobicContact CB-CD2 4.49Å; L375-Y616 WeakPolarHBondContact O-CE2 3.41Å
376	S	66	Low	57.4	Low	115 Å²	115	99.2 Å²	99.2	80%	0.804	50%	0.5	S	S	*	.	P	Polyproline II helix	trans	-51.9	137.6	170.9	-58.3	0	0	0	0	109.5	P378	S376-P378 VanDerWaalsContact O-N 3.14Å
377	S	64.6	Low	56.3	Low	42 Å²	42	96.9 Å²	96.9	29%	0.294	49%	0.489	S	S	.	.	P	Polyproline II helix	trans	-48.8	125.1	-178.7	-177.2	0	0	0	0	109.7	E339 L375 F379	E339-S377 VanDerWaalsContact CD-OG 3.26Å; E339-S377 WeakPolarHBondContact OE1-CB 3.31Å; E339-S377 PolarHBondContact OE1-OG 3.47Å; E339-S377 PolarHBondContact OE2-OG 3.07Å; L375-S377 PolarHBondContact O-N 3.36Å; S377-F379 PolarHBondContact O-N 3.37Å; S377-F379 WeakPolarHBondContact OG-CB 3.43Å; S377-F379 PolarHBondContact OG-N 3.43Å
378	P	66.8	Low	55.3	Low	33 Å²	33	96 Å²	96	21%	0.214	49%	0.488	C	S	.	.	S	Bend	trans	-68.3	-12.2	177.7	29	-35.2	0	0	0	111.1	W335 S376 R380 Y616	W335-P378 HydrophobicContact CZ2-CG 4.32Å; S376-P378 VanDerWaalsContact O-N 3.14Å; P378-R380 PolarHBondContact O-N 2.84Å; P378-R380 VanDerWaalsContact O-N 3.15Å; P378-Y616 VanDerWaalsContact CD-CD2 3.4Å; P378-Y616 HydrophobicContact CG-CD1 4.13Å; P378-Y616 HydrophobicContact CG-CD2 4.35Å; P378-Y616 HydrophobicContact CG-CG 3.77Å
379	F	60.8	Low	54	Low	20 Å²	20	99.7 Å²	99.7	9%	0.088	51%	0.509	C	S	.	.			trans	-65.9	111.4	176	-166.3	-93.2	0	0	0	111.2	E332 W335 L336 S377 P381	E332-F379 HydrophobicContact CB-CE1 4.34Å; E332-F379 HydrophobicContact CB-CE2 4.36Å; E332-F379 HydrophobicContact CB-CZ 3.58Å; E332-F379 HydrophobicContact CG-CE1 3.7Å; E332-F379 HydrophobicContact CG-CZ 3.47Å; E332-F379 VanDerWaalsContact CG-CZ 3.47Å; E332-F379 WeakPolarHBondContact OE1-CE1 3.4Å; W335-F379 HydrophobicContact CB-CD2 4.13Å; W335-F379 HydrophobicContact CB-CE2 4.11Å; W335-F379 AromaticContact CD1-CD2 3.41Å; W335-F379 VanDerWaalsContact CD1-CD2 3.41Å; W335-F379 AromaticContact CD1-CG 3.68Å; W335-F379 HydrophobicContact CD2-CD2 4.04Å; W335-F379 AromaticContact CG-CD2 3.57Å; W335-F379 HydrophobicContact CG-CD2 3.57Å; W335-F379 HydrophobicContact CG-CE2 4.06Å; W335-F379 HydrophobicContact CG-CG 4.3Å; W335-F379 AromaticContact NE1-CD2 3.81Å; W335-F379 AromaticContact NE1-CG 3.95Å; L336-F379 HydrophobicContact CD2-CD1 4.45Å; S377-F379 PolarHBondContact O-N 3.37Å; S377-F379 WeakPolarHBondContact OG-CB 3.43Å; S377-F379 PolarHBondContact OG-N 3.43Å; F379-P381 HydrophobicContact CE1-CG 4.35Å
380	R	63	Low	52.7	Low	206 Å²	206	103.8 Å²	103.8	78%	0.777	53%	0.525	S	S	*	.			trans	-104.5	126.2	162.2	-63.6	-167.2	-167.3	-98.3	4.2	108.5	P378 W382	P378-R380 PolarHBondContact O-N 2.84Å; P378-R380 VanDerWaalsContact O-N 3.15Å; R380-W382 PolarHBondContact O-N 2.71Å
381	P	55	Low	51.2	Low	79 Å²	79	108.3 Å²	108.3	51%	0.513	55%	0.553	S	S	.	*			trans	-51.4	139.5	171	-23.5	31.6	0	0	0	109.8	F379 K383	F379-P381 HydrophobicContact CE1-CG 4.35Å; P381-K383 PolarHBondContact O-N 2.88Å
382	W	50.2	Low	49.8	Very low	73 Å²	73	110.5 Å²	110.5	28%	0.277	56%	0.56	S	S	.	*			trans	-67.3	109.7	-178.7	-2.9	-60.9	0	0	0	107.5	A328 K329 E332 R380 T384	A328-W382 HydrophobicContact CB-CD2 3.46Å; A328-W382 VanDerWaalsContact CB-CD2 3.46Å; A328-W382 VanDerWaalsContact CB-CE2 3.49Å; A328-W382 HydrophobicContact CB-CE3 3.44Å; A328-W382 VanDerWaalsContact CB-CE3 3.44Å; A328-W382 HydrophobicContact CB-CG 4.32Å; A328-W382 HydrophobicContact CB-CH2 3.84Å; A328-W382 HydrophobicContact CB-CZ2 3.7Å; A328-W382 HydrophobicContact CB-CZ3 3.63Å; A328-W382 WeakPolarHBondContact O-CZ2 3.28Å; K329-W382 HydrophobicContact CB-CH2 3.78Å; K329-W382 HydrophobicContact CB-CZ2 4.48Å; K329-W382 HydrophobicContact CG-CH2 3.28Å; K329-W382 HydrophobicContact CG-CZ2 4.37Å; K329-W382 HydrophobicContact CG-CZ3 3.75Å; E332-W382 HydrophobicContact CB-CH2 4.47Å; E332-W382 HydrophobicContact CB-CZ2 3.46Å; E332-W382 VanDerWaalsContact CB-CZ2 3.46Å; E332-W382 HydrophobicContact CG-CZ2 4.29Å; E332-W382 WeakPolarHBondContact OE2-CH2 3.38Å; E332-W382 WeakPolarHBondContact OE2-CZ2 3.35Å; R380-W382 PolarHBondContact O-N 2.71Å; W382-T384 PolarHBondContact O-N 3.29Å
383	K	45.9	Very low	48.1	Very low	113 Å²	113	112.6 Å²	112.6	49%	0.491	57%	0.567	S	S	.	*			trans	-63.3	112.9	-176.7	-72.2	-174.2	175.9	-172.2	0	109	P381 I388	P381-K383 PolarHBondContact O-N 2.88Å; K383-I388 HydrophobicContact CD-CG1 4.13Å
384	T	39.4	Very low	46.4	Very low	107 Å²	107	113.7 Å²	113.7	66%	0.656	58%	0.579	S	S	*	*			trans	-63.6	141.3	159.1	-48.9	0	0	0	0	106.6	W382 T386	W382-T384 PolarHBondContact O-N 3.29Å; T384-T386 PolarHBondContact O-N 3.47Å
385	R	34	Very low	44.6	Very low	232 Å²	232	118.8 Å²	118.8	88%	0.875	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-47.6	-7.4	-169.8	-163.1	176.4	-172.3	-178.6	2.8	117.2
386	T	37.2	Very low	42.7	Very low	123 Å²	123	120.9 Å²	120.9	76%	0.755	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.6	-17.1	-172.3	-12.2	0	0	0	0	115.1	T384	T384-T386 PolarHBondContact O-N 3.47Å
387	E	35.4	Very low	40.7	Very low	134 Å²	134	124 Å²	124	63%	0.626	63%	0.632	S	S	*	*	S	Bend	trans	-116.2	4	-172.4	-74.2	179.3	177.2	0	0	115.9	V389	E387-V389 PolarHBondContact O-N 3.44Å
388	I	37.3	Very low	38.7	Very low	109 Å²	109	127 Å²	127	56%	0.559	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77	-11.7	178.4	-62.6	172.8	0	0	0	111.9	K383 Q390	K383-I388 HydrophobicContact CD-CG1 4.13Å; I388-Q390 PolarHBondContact O-N 2.9Å
389	V	35.6	Very low	36.8	Very low	135 Å²	135	131.2 Å²	131.2	82%	0.818	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.5	-12.5	-178.4	-179.7	0	0	0	0	113.3	E387	E387-V389 PolarHBondContact O-N 3.44Å
390	Q	35.3	Very low	35	Very low	169 Å²	169	133.8 Å²	133.8	79%	0.79	71%	0.705	S	S	*	*	S	Bend	trans	-108.8	-1.4	-171.9	-82.3	-176.6	-21.2	0	0	117.1	I388	I388-Q390 PolarHBondContact O-N 2.9Å
391	T	32.7	Very low	33	Very low	104 Å²	104	132.5 Å²	132.5	64%	0.638	71%	0.708	S	S	*	*	S	Bend	trans	-111.1	23.8	-176	40.8	0	0	0	0	116
392	Q	33.1	Very low	31.5	Very low	167 Å²	167	133.3 Å²	133.3	78%	0.78	72%	0.716	S	S	*	*	S	Bend	trans	-135.1	48.8	170.4	-80.8	-178.2	-24.3	0	0	112.8
393	F	25.9	Very low	30.2	Very low	198 Å²	198	137.8 Å²	137.8	87%	0.868	74%	0.739	S	S	*	*	S	Bend	trans	-161.3	136.2	151.4	-76.3	-62.2	0	0	0	109.1
394	P	26.1	Very low	29.1	Very low	108 Å²	108	137.4 Å²	137.4	70%	0.701	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-69.7	157.4	176.4	29.2	-32.4	0	0	0	111.5	V396	P394-V396 PolarHBondContact O-N 3.24Å
395	P	24.9	Very low	28.3	Very low	131 Å²	131	140.1 Å²	140.1	85%	0.851	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-76.2	121.1	-178.1	28.1	-23.8	0	0	0	109.7
396	V	26.8	Very low	27.7	Very low	140 Å²	140	135.4 Å²	135.4	85%	0.848	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-102.6	130.9	161.2	178.5	0	0	0	0	107.5	P394	P394-V396 PolarHBondContact O-N 3.24Å
397	E	24.5	Very low	27.1	Very low	180 Å²	180	136.3 Å²	136.3	84%	0.841	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-54.3	141.5	-171.9	-63.9	167.2	156.7	0	0	113.1
398	S	23.5	Very low	26.4	Very low	106 Å²	106	135.8 Å²	135.8	74%	0.741	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-64.6	148.8	159.9	-174.1	0	0	0	0	109.2	A400	S398-A400 PolarHBondContact OG-N 3.49Å
399	P	27.1	Very low	25.7	Very low	121 Å²	121	135.6 Å²	135.6	79%	0.786	75%	0.748	S	S	*	*				-139.7	143.4	104.9	26.9	-9.1	0	0	0	115.1
400	A	21.6	Very low	25.3	Very low	74 Å²	74	134.9 Å²	134.9	61%	0.612	74%	0.743	S	S	*	*			trans	76.3	115.5	136.8	0	0	0	0	0	120.6	S398	S398-A400 PolarHBondContact OG-N 3.49Å
401	E	22.2	Very low	24.7	Very low	179 Å²	179	135.5 Å²	135.5	84%	0.836	75%	0.746	S	S	*	*				71.1	102.5	125.1	-67.2	-179.8	-175.2	0	0	120.2
402	S	23	Very low	24.6	Very low	97 Å²	97	135.7 Å²	135.7	68%	0.678	75%	0.752	S	S	*	*				111	139.5	109.5	81.8	0	0	0	0	119.1
403	H	23.8	Very low	24.1	Very low	167 Å²	167	134.5 Å²	134.5	77%	0.773	76%	0.756	S	S	*	*			trans	78.9	108	143.6	-77.6	-56.8	0	0	0	121.9
404	T	21.5	Very low	24.1	Very low	105 Å²	105	133.9 Å²	133.9	64%	0.644	76%	0.756	S	S	*	*				64.2	124.1	125	8.6	0	0	0	0	121.6
405	E	22.2	Very low	24	Very low	164 Å²	164	137.4 Å²	137.4	77%	0.766	76%	0.763	S	S	*	*				68.4	142.1	126.6	-102	179.3	175	0	0	122.4
406	I	22.3	Very low	24	Very low	133 Å²	133	139.6 Å²	139.6	68%	0.682	76%	0.762	S	S	*	*			trans	87.5	105.2	146.6	-65.8	162.7	0	0	0	117.7
407	L	23.4	Very low	23.8	Very low	142 Å²	142	141.3 Å²	141.3	74%	0.743	77%	0.766	S	S	*	*				74.2	135.5	118.6	-132.3	87.8	0	0	0	121.4
408	D	21.1	Very low	23.9	Very low	122 Å²	122	137.2 Å²	137.2	65%	0.652	76%	0.762	S	S	*	*			trans	83.5	115.2	138.6	-86.9	2.3	0	0	0	122.7
409	T	24	Very low	23.8	Very low	106 Å²	106	141.7 Å²	141.7	65%	0.65	77%	0.769	S	S	*	*				41.2	133.2	127.9	51	0	0	0	0	121.6
410	T	26.5	Very low	23.8	Very low	119 Å²	119	142.4 Å²	142.4	73%	0.73	77%	0.765	S	S	*	*			trans	64.3	112.5	143.2	58.7	0	0	0	0	117
411	E	23.3	Very low	23.9	Very low	182 Å²	182	145.5 Å²	145.5	85%	0.85	77%	0.771	S	S	*	*				176.7	148	97.9	-93.9	179	170.6	0	0	109.4
412	S	29.5	Very low	24.1	Very low	109 Å²	109	142.1 Å²	142.1	76%	0.762	77%	0.767	S	S	*	*			trans	-61.8	129.7	167.4	44.1	0	0	0	0	111.5
413	T	23.5	Very low	24.2	Very low	141 Å²	141	141.8 Å²	141.8	87%	0.865	77%	0.765	S	S	*	*			trans	-137.8	118.5	150.7	37.7	0	0	0	0	109.9
414	E	25.7	Very low	24.4	Very low	185 Å²	185	139.2 Å²	139.2	86%	0.864	76%	0.763	S	S	*	*			trans	-65	141	160.2	-62.1	172.6	155.4	0	0	109.1
415	E	22.6	Very low	25.3	Very low	183 Å²	183	143.9 Å²	143.9	86%	0.855	78%	0.778	S	S	*	*			trans	172.1	98.4	141.6	-95.8	172.9	-165	0	0	106.8
416	E	25.8	Very low	25.5	Very low	176 Å²	176	139.4 Å²	139.4	82%	0.822	78%	0.775	S	S	*	*				69.2	101.4	97.3	-107.4	-170.5	176.7	0	0	114.1
417	L	22.2	Very low	26.3	Very low	177 Å²	177	142.2 Å²	142.2	93%	0.927	79%	0.785	S	S	*	*			trans	-147.4	92.4	142	-81.7	-174	0	0	0	109.9
418	A	26.5	Very low	27	Very low	93 Å²	93	145.5 Å²	145.5	77%	0.769	79%	0.794	S	S	*	*			trans	30.5	114.4	141.8	0	0	0	0	0	119.6
419	F	21.7	Very low	28.1	Very low	200 Å²	200	142.8 Å²	142.8	88%	0.877	78%	0.779	S	S	*	*			trans	-130.4	100.4	144.8	-164.1	-97	0	0	0	110.6
420	I	26.8	Very low	29.6	Very low	137 Å²	137	143.2 Å²	143.2	70%	0.703	78%	0.777	S	S	*	*			trans	1.9	108.5	159.1	-60.3	169.5	0	0	0	115.5
421	D	23.9	Very low	31	Very low	139 Å²	139	145.5 Å²	145.5	74%	0.743	78%	0.779	S	S	*	*			trans	-66.3	128.9	155.4	-171.8	7.8	0	0	0	109.6	S423	D421-S423 PolarHBondContact OD1-N 3.1Å
422	S	25.6	Very low	32.5	Very low	108 Å²	108	144 Å²	144	76%	0.755	77%	0.772	S	S	*	*			trans	-138.1	70.5	156.3	65.5	0	0	0	0	107.6
423	S	26	Very low	33.9	Very low	89 Å²	89	141.3 Å²	141.3	62%	0.622	75%	0.751	S	S	*	*			trans	-63.8	131.7	152.7	-159.5	0	0	0	0	109.2	D421	D421-S423 PolarHBondContact OD1-N 3.1Å
424	P	28.3	Very low	35.6	Very low	114 Å²	114	136.7 Å²	136.7	74%	0.74	72%	0.72	S	S	*	*			trans	-71.3	136.2	153.1	10.7	4.5	0	0	0	108	G426	P424-G426 PolarHBondContact O-N 3.28Å
425	E	39.5	Very low	37.4	Very low	203 Å²	203	130.9 Å²	130.9	95%	0.949	69%	0.693	S	S	*	*			trans	-56.4	113.9	167.6	-73	159.4	137.5	0	0	109.4
426	G	27.7	Very low	39.4	Very low	69 Å²	69	127.3 Å²	127.3	71%	0.711	68%	0.676	S	S	*	*			trans	-116.8	131.4	167	0	0	0	0	0	108.7	P424	P424-G426 PolarHBondContact O-N 3.28Å
427	E	38.5	Very low	41.2	Very low	193 Å²	193	119.4 Å²	119.4	90%	0.902	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-49.5	136.7	-177.5	-70.5	166.7	138.4	0	0	112.7	L429	E427-L429 PolarHBondContact O-N 3.48Å
428	K	39.3	Very low	43.1	Very low	210 Å²	210	114.8 Å²	114.8	91%	0.913	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-63.8	127.4	169.6	-71.7	-178.8	176.4	-177.9	0	109.1
429	L	43.8	Very low	45.1	Very low	66 Å²	66	114 Å²	114	35%	0.346	59%	0.59	S	S	.	*	P	Polyproline II helix	trans	-70.3	152.8	174.3	-66.5	163.8	0	0	0	111.6	E427 Q434 D492	E427-L429 PolarHBondContact O-N 3.48Å; L429-Q434 HydrophobicContact CB-CG 4.37Å; L429-D492 HydrophobicContact CD1-CB 4.24Å; L429-D492 WeakPolarHBondContact CD1-OD2 3.41Å; L429-D492 WeakPolarHBondContact CD2-OD2 3.25Å
430	D	55.7	Low	47.2	Very low	115 Å²	115	106.3 Å²	106.3	62%	0.615	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-65.9	137.3	177.2	-144.3	4.6	0	0	0	110.4	E432 T433 Q434	D430-E432 PolarHBondContact O-N 2.92Å; D430-T433 HydrophobicContact CB-CG2 4.48Å; D430-T433 PolarHBondContact O-N 2.93Å; D430-T433 PolarHBondContact O-OG1 3.28Å; D430-Q434 PolarHBondContact O-N 2.89Å
431	E	54.6	Low	49	Very low	166 Å²	166	99.9 Å²	99.9	78%	0.776	53%	0.525	S	S	*	.	H	α-helix	trans	-63	-26.3	-175.2	-83.3	179.3	160.9	0	0	112.5	E435	E431-E435 PolarHBondContact O-N 3.11Å
432	E	55.3	Low	51	Low	150 Å²	150	93.3 Å²	93.3	70%	0.701	49%	0.49	S	S	*	.	H	α-helix	trans	-69	-40.5	176.7	-86.3	-179	161	0	0	113	D430 Q434 E435 E436	D430-E432 PolarHBondContact O-N 2.92Å; E432-Q434 VanDerWaalsContact C-N 3.31Å; E432-Q434 PolarHBondContact O-N 2.94Å; E432-E435 PolarHBondContact O-N 3.48Å; E432-E436 PolarHBondContact O-N 3.27Å
433	T	59.9	Low	52.9	Low	53 Å²	53	93 Å²	93	33%	0.325	48%	0.48	S	S	.	.	H	α-helix	trans	-72.2	-28.5	-179.1	60.6	0	0	0	0	112	D430 L437	D430-T433 HydrophobicContact CB-CG2 4.48Å; D430-T433 PolarHBondContact O-N 2.93Å; D430-T433 PolarHBondContact O-OG1 3.28Å; T433-L437 WeakPolarHBondContact O-CB 3.35Å; T433-L437 PolarHBondContact O-N 3.02Å
434	Q	58.5	Low	54.6	Low	44 Å²	44	90.5 Å²	90.5	21%	0.206	46%	0.459	C	S	.	.	H	α-helix	trans	-71.7	-33.9	173.5	-70.1	-164.4	-11.7	0	0	113	L429 D430 E432 R438 M488	L429-Q434 HydrophobicContact CB-CG 4.37Å; D430-Q434 PolarHBondContact O-N 2.89Å; E432-Q434 VanDerWaalsContact C-N 3.31Å; E432-Q434 PolarHBondContact O-N 2.94Å; Q434-R438 VanDerWaalsContact O-CG 3.25Å; Q434-R438 WeakPolarHBondContact O-CG 3.45Å; Q434-R438 PolarHBondContact O-N 3.47Å; Q434-R438 VanDerWaalsContact O-N 3.16Å; Q434-M488 HydrophobicContact CB-CE 4.32Å; Q434-M488 VanDerWaalsContact O-CE 3.29Å; Q434-M488 WeakPolarHBondContact O-CE 3.29Å
435	E	63.6	Low	56	Low	63 Å²	63	85.1 Å²	85.1	29%	0.294	42%	0.424	S	S	.	.	H	α-helix	trans	-70.7	-44.4	178.5	-155.9	84	162.2	0	0	110.7	E431 E432 L437 R438 E439 Q463	E431-E435 PolarHBondContact O-N 3.11Å; E432-E435 PolarHBondContact O-N 3.48Å; E435-L437 VanDerWaalsContact C-N 3.32Å; E435-L437 PolarHBondContact O-N 3.38Å; E435-R438 WeakPolarHBondContact O-CB 3.48Å; E435-R438 PolarHBondContact O-N 2.86Å; E435-R438 IonicContact OE2-NH1 3.6Å; E435-R438 PolarHBondContact OE2-NH1 3.47Å; E435-E439 PolarHBondContact O-N 3.12Å; E435-Q463 PolarHBondContact OE1-NE2 2.85Å
436	E	63.4	Low	57.1	Low	108 Å²	108	77.3 Å²	77.3	51%	0.505	39%	0.388	S	S	.	.	H	α-helix	trans	-62.4	-37.1	176.1	-70.9	-175	167.9	0	0	112.6	E432 E439 L440 L505	E432-E436 PolarHBondContact O-N 3.27Å; E436-E439 PolarHBondContact O-N 3.3Å; E436-L440 WeakPolarHBondContact O-CB 3.49Å; E436-L440 PolarHBondContact O-N 2.97Å; E436-L505 HydrophobicContact CB-CD2 4.15Å
437	L	63.6	Low	58.6	Low	10 Å²	10	77.1 Å²	77.1	5%	0.052	37%	0.368	C	S	.	.	H	α-helix	trans	-75.3	-26.2	179.9	-156	129.7	0	0	0	112.1	T433 E435 L441 M488 L491 L505 I506	T433-L437 WeakPolarHBondContact O-CB 3.35Å; T433-L437 PolarHBondContact O-N 3.02Å; E435-L437 VanDerWaalsContact C-N 3.32Å; E435-L437 PolarHBondContact O-N 3.38Å; L437-L441 WeakPolarHBondContact O-CB 3.46Å; L437-L441 PolarHBondContact O-N 3.43Å; L437-L441 VanDerWaalsContact O-N 3.08Å; L437-M488 HydrophobicContact CB-CE 3.75Å; L437-M488 HydrophobicContact CD2-CE 3.47Å; L437-M488 VanDerWaalsContact CD2-CE 3.47Å; L437-M488 HydrophobicContact CD2-SD 3.8Å; L437-M488 HydrophobicContact CG-CE 4.22Å; L437-L491 HydrophobicContact CD2-CB 3.93Å; L437-L491 HydrophobicContact CD2-CD1 3.78Å; L437-L505 HydrophobicContact CB-CD2 4.43Å; L437-L505 HydrophobicContact CD1-CD2 4.21Å; L437-I506 HydrophobicContact CD1-CD1 4.27Å
438	R	63.2	Low	59.4	Low	80 Å²	80	70.7 Å²	70.7	30%	0.302	34%	0.34	S	S	.	.	H	α-helix	trans	-70.8	-40.9	169.1	-74.3	168.3	-176.7	171	3.2	111.9	Q434 E435 L441 C442 L470 M488	Q434-R438 VanDerWaalsContact O-CG 3.25Å; Q434-R438 WeakPolarHBondContact O-CG 3.45Å; Q434-R438 PolarHBondContact O-N 3.47Å; Q434-R438 VanDerWaalsContact O-N 3.16Å; E435-R438 WeakPolarHBondContact O-CB 3.48Å; E435-R438 PolarHBondContact O-N 2.86Å; E435-R438 IonicContact OE2-NH1 3.6Å; E435-R438 PolarHBondContact OE2-NH1 3.47Å; R438-L441 PolarHBondContact O-N 3.41Å; R438-C442 PolarHBondContact O-N 3.05Å; R438-C442 VanDerWaalsContact O-N 3.07Å; R438-C442 PolarHBondContact O-SG 3.41Å; R438-L470 HydrophobicContact CG-CD2 4.3Å; R438-M488 HydrophobicContact CG-CE 3.86Å; R438-M488 HydrophobicContact CG-SD 4.31Å
439	E	67.3	Low	60.3	Low	76 Å²	76	61.2 Å²	61.2	36%	0.355	30%	0.299	S	S	.	.	H	α-helix	trans	-63.3	-46.3	174.1	-69.3	-161.6	149.3	0	0	110.9	E435 E436 L441 C442 D443 T466	E435-E439 PolarHBondContact O-N 3.12Å; E436-E439 PolarHBondContact O-N 3.3Å; E439-L441 VanDerWaalsContact C-N 3.3Å; E439-L441 PolarHBondContact O-N 2.99Å; E439-C442 WeakPolarHBondContact O-CB 3.47Å; E439-C442 PolarHBondContact O-N 3.48Å; E439-C442 VanDerWaalsContact O-N 3.1Å; E439-D443 PolarHBondContact O-N 2.92Å; E439-T466 HydrophobicContact CG-CG2 3.86Å
440	L	66.3	Low	60.8	Low	39 Å²	39	62.8 Å²	62.8	20%	0.204	30%	0.304	C	S	.	.	H	α-helix	trans	-60.1	-38.9	177.5	-165.4	78.8	0	0	0	112.5	E436 E444 I506 P508 V511	E436-L440 WeakPolarHBondContact O-CB 3.49Å; E436-L440 PolarHBondContact O-N 2.97Å; L440-E444 PolarHBondContact O-N 3.05Å; L440-E444 VanDerWaalsContact O-N 3.14Å; L440-I506 WeakPolarHBondContact CD2-O 3.41Å; L440-P508 HydrophobicContact CD1-CG 4.43Å; L440-V511 HydrophobicContact CD2-CG2 3.84Å; L440-V511 HydrophobicContact CG-CG2 4.48Å
441	L	65.3	Low	60.7	Low	3 Å²	3	59.7 Å²	59.7	2%	0.016	30%	0.295	C	S	.	.	H	α-helix	trans	-64.6	-44.4	175.2	-157.8	96.7	0	0	0	111	L437 R438 E439 T445 L470 L491 V511 L515	L437-L441 WeakPolarHBondContact O-CB 3.46Å; L437-L441 PolarHBondContact O-N 3.43Å; L437-L441 VanDerWaalsContact O-N 3.08Å; R438-L441 PolarHBondContact O-N 3.41Å; E439-L441 VanDerWaalsContact C-N 3.3Å; E439-L441 PolarHBondContact O-N 2.99Å; L441-T445 WeakPolarHBondContact O-CB 3.28Å; L441-T445 WeakPolarHBondContact O-CG2 3.38Å; L441-T445 PolarHBondContact O-N 3.14Å; L441-T445 PolarHBondContact O-OG1 3.27Å; L441-L470 HydrophobicContact CD2-CD1 3.78Å; L441-L491 HydrophobicContact CD1-CD1 3.84Å; L441-V511 HydrophobicContact CD1-CG1 3.68Å; L441-L515 HydrophobicContact CD1-CD1 4.3Å
442	C	65.3	Low	60.7	Low	0 Å²	0	59 Å²	59	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-62.5	-47.2	177.9	-68.6	0	0	0	0	111.2	R438 E439 E444 T445 D446 K469	R438-C442 PolarHBondContact O-N 3.05Å; R438-C442 VanDerWaalsContact O-N 3.07Å; R438-C442 PolarHBondContact O-SG 3.41Å; E439-C442 WeakPolarHBondContact O-CB 3.47Å; E439-C442 PolarHBondContact O-N 3.48Å; E439-C442 VanDerWaalsContact O-N 3.1Å; C442-E444 PolarHBondContact O-N 2.99Å; C442-T445 CarbonylContact O-C 3.54Å; C442-T445 PolarHBondContact O-N 3.15Å; C442-D446 WeakPolarHBondContact O-CA 3.28Å; C442-D446 WeakPolarHBondContact O-CB 3.48Å; C442-D446 PolarHBondContact O-N 2.95Å; C442-K469 HydrophobicContact CB-CB 4.47Å; C442-K469 HydrophobicContact CB-CD 4.45Å
443	D	65.5	Low	60.8	Low	101 Å²	101	55.2 Å²	55.2	54%	0.54	27%	0.273	S	S	.	.	H	α-helix	trans	-64.3	-38.2	-178	-73.8	-11.7	0	0	0	112.8	E439	E439-D443 PolarHBondContact O-N 2.92Å
444	E	61.8	Low	60.8	Low	38 Å²	38	55.2 Å²	55.2	18%	0.178	27%	0.271	C	S	.	.	H	α-helix	trans	-80.2	-20.8	177.5	-73.5	-62	149.1	0	0	113.6	L440 C442 F447 P508 R575	L440-E444 PolarHBondContact O-N 3.05Å; L440-E444 VanDerWaalsContact O-N 3.14Å; C442-E444 PolarHBondContact O-N 2.99Å; E444-F447 VanDerWaalsContact O-CD1 3.26Å; E444-F447 WeakPolarHBondContact O-CD1 3.23Å; E444-F447 WeakPolarHBondContact O-CE1 3.4Å; E444-P508 HydrophobicContact CG-CB 3.79Å; E444-P508 WeakPolarHBondContact OE1-CB 3.3Å; E444-R575 IonicContact OE2-NH1 3.13Å; E444-R575 PolarHBondContact OE2-NH1 3.48Å
445	T	57.2	Low	60.9	Low	1 Å²	1	61.2 Å²	61.2	1%	0.006	30%	0.296	C	S	.	.	H	α-helix	trans	-107.3	5.3	178.8	62.4	0	0	0	0	114.3	L441 C442 F447 L448 I473 L512	L441-T445 WeakPolarHBondContact O-CB 3.28Å; L441-T445 WeakPolarHBondContact O-CG2 3.38Å; L441-T445 PolarHBondContact O-N 3.14Å; L441-T445 PolarHBondContact O-OG1 3.27Å; C442-T445 CarbonylContact O-C 3.54Å; C442-T445 PolarHBondContact O-N 3.15Å; T445-F447 PolarHBondContact O-N 3.28Å; T445-L448 WeakPolarHBondContact O-CB 3.42Å; T445-L448 PolarHBondContact O-N 3Å; T445-I473 WeakPolarHBondContact OG1-CD1 3.17Å; T445-L512 HydrophobicContact CG2-CD2 3.89Å
446	D	63.7	Low	60.6	Low	38 Å²	38	64.8 Å²	64.8	20%	0.203	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-55.4	-24.1	178.8	-100.6	-4.1	0	0	0	113.2	C442 L448 I449 K469	C442-D446 WeakPolarHBondContact O-CA 3.28Å; C442-D446 WeakPolarHBondContact O-CB 3.48Å; C442-D446 PolarHBondContact O-N 2.95Å; D446-L448 PolarHBondContact O-N 3.08Å; D446-I449 PolarHBondContact O-N 3.31Å; D446-K469 WeakPolarHBondContact OD1-CD 3.43Å; D446-K469 WeakPolarHBondContact OD1-CE 3.35Å; D446-K469 IonicContact OD1-NZ 3.41Å; D446-K469 PolarHBondContact OD1-NZ 3.48Å; D446-K469 IonicContact OD2-NZ 3.39Å; D446-K469 PolarHBondContact OD2-NZ 2.94Å
447	F	59.6	Low	60.3	Low	65 Å²	65	60.3 Å²	60.3	29%	0.285	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-66.8	-21.2	177.3	71.1	-92.6	0	0	0	113.9	E444 T445 I449 L512 M576 V579	E444-F447 VanDerWaalsContact O-CD1 3.26Å; E444-F447 WeakPolarHBondContact O-CD1 3.23Å; E444-F447 WeakPolarHBondContact O-CE1 3.4Å; T445-F447 PolarHBondContact O-N 3.28Å; F447-I449 VanDerWaalsContact C-N 3.27Å; F447-L512 HydrophobicContact CE1-CD2 4.4Å; F447-M576 HydrophobicContact CB-CE 4.32Å; F447-V579 HydrophobicContact CE2-CG2 4.32Å; F447-V579 HydrophobicContact CZ-CG2 4.22Å
448	L	54.1	Low	59.9	Low	59 Å²	59	63.1 Å²	63.1	31%	0.309	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-75.5	-16.9	177.3	-65.8	173.5	0	0	0	112.4	T445 D446 L477	T445-L448 WeakPolarHBondContact O-CB 3.42Å; T445-L448 PolarHBondContact O-N 3Å; D446-L448 PolarHBondContact O-N 3.08Å; L448-L477 HydrophobicContact CD1-CD2 4.4Å
449	I	59	Low	59.5	Low	10 Å²	10	64.7 Å²	64.7	5%	0.051	34%	0.341	C	S	.	.	S	Bend	trans	-90.9	142.8	-178.4	-53.4	176.9	0	0	0	110.4	D446 F447 I453 L454 K469 I473 K558	D446-I449 PolarHBondContact O-N 3.31Å; F447-I449 VanDerWaalsContact C-N 3.27Å; I449-I453 HydrophobicContact CG2-CB 4.05Å; I449-I453 HydrophobicContact CG2-CG2 3.95Å; I449-L454 HydrophobicContact CB-CD2 4.25Å; I449-L454 HydrophobicContact CB-CG 4.3Å; I449-L454 HydrophobicContact CG2-CD2 4.06Å; I449-L454 HydrophobicContact CG2-CG 4.01Å; I449-K469 HydrophobicContact CD1-CB 3.79Å; I449-K469 HydrophobicContact CD1-CG 3.71Å; I449-I473 HydrophobicContact CD1-CD1 3.85Å; I449-I473 HydrophobicContact CD1-CG1 3.9Å; I449-I473 HydrophobicContact CG1-CD1 4.41Å; I449-I473 HydrophobicContact CG1-CG1 4.01Å; I449-K558 PolarHBondContact O-NZ 2.71Å; I449-K558 VanDerWaalsContact O-NZ 3.12Å
450	E	54.6	Low	58.9	Low	99 Å²	99	64.9 Å²	64.9	46%	0.463	34%	0.344	S	S	.	.			trans	-71.4	136.4	-178.3	-151.5	176.3	-171.7	0	0	111.7	K452 I453 L454	E450-K452 PolarHBondContact O-N 3Å; E450-I453 HydrophobicContact CB-CD1 3.95Å; E450-I453 HydrophobicContact CB-CG1 4.23Å; E450-I453 WeakPolarHBondContact O-CB 3.47Å; E450-I453 PolarHBondContact O-N 2.89Å; E450-L454 PolarHBondContact O-N 3.35Å
451	A	53.8	Low	58.6	Low	51 Å²	51	67.3 Å²	67.3	42%	0.421	36%	0.36	S	S	.	.	H	α-helix	trans	-63.7	-20.2	-171.1	0	0	0	0	0	114.1	K455	A451-K455 WeakPolarHBondContact O-CG 3.31Å; A451-K455 PolarHBondContact O-N 3.28Å
452	K	54.2	Low	58.3	Low	152 Å²	152	71.6 Å²	71.6	66%	0.661	39%	0.387	S	S	*	.	H	α-helix	trans	-74.2	-34.6	172.6	-70.5	175.1	-178.3	169.6	0	112.1	E450 K455 L456	E450-K452 PolarHBondContact O-N 3Å; K452-K455 PolarHBondContact O-N 3.26Å; K452-L456 WeakPolarHBondContact O-CG 3.41Å; K452-L456 PolarHBondContact O-N 3.19Å
453	I	57.8	Low	57.9	Low	70 Å²	70	77.2 Å²	77.2	36%	0.359	41%	0.413	S	S	.	.	H	α-helix	trans	-71.7	-42.9	177.4	-61.1	172.4	0	0	0	109.4	I449 E450 K455 L456 L457	I449-I453 HydrophobicContact CG2-CB 4.05Å; I449-I453 HydrophobicContact CG2-CG2 3.95Å; E450-I453 HydrophobicContact CB-CD1 3.95Å; E450-I453 HydrophobicContact CB-CG1 4.23Å; E450-I453 WeakPolarHBondContact O-CB 3.47Å; E450-I453 PolarHBondContact O-N 2.89Å; I453-K455 VanDerWaalsContact C-N 3.3Å; I453-K455 PolarHBondContact O-N 2.88Å; I453-L456 PolarHBondContact O-N 3.05Å; I453-L457 HydrophobicContact CG2-CD1 3.76Å; I453-L457 HydrophobicContact CG2-CG 4.26Å; I453-L457 VanDerWaalsContact O-CG 3.32Å; I453-L457 WeakPolarHBondContact O-CG 3.48Å; I453-L457 PolarHBondContact O-N 3.47Å
454	L	58.2	Low	57.5	Low	53 Å²	53	77.9 Å²	77.9	28%	0.277	41%	0.413	S	S	.	.	H	α-helix	trans	-59.7	-37.2	174.1	-67.2	172.1	0	0	0	112.8	I449 E450 L456 L457 A458	I449-L454 HydrophobicContact CB-CD2 4.25Å; I449-L454 HydrophobicContact CB-CG 4.3Å; I449-L454 HydrophobicContact CG2-CD2 4.06Å; I449-L454 HydrophobicContact CG2-CG 4.01Å; E450-L454 PolarHBondContact O-N 3.35Å; L454-L456 VanDerWaalsContact C-N 3.33Å; L454-L456 PolarHBondContact O-N 3.23Å; L454-L457 PolarHBondContact O-N 3Å; L454-A458 PolarHBondContact O-N 2.91Å; L454-A458 VanDerWaalsContact O-N 3.16Å
455	K	62.5	Low	57.5	Low	170 Å²	170	77.8 Å²	77.8	74%	0.739	41%	0.413	S	S	*	.	H	α-helix	trans	-68.7	-28.2	174.4	-75.8	178.1	-176.4	-176.6	0	113.7	A451 K452 I453	A451-K455 WeakPolarHBondContact O-CG 3.31Å; A451-K455 PolarHBondContact O-N 3.28Å; K452-K455 PolarHBondContact O-N 3.26Å; I453-K455 VanDerWaalsContact C-N 3.3Å; I453-K455 PolarHBondContact O-N 2.88Å
456	L	56.9	Low	57.7	Low	137 Å²	137	78.9 Å²	78.9	72%	0.717	42%	0.419	S	S	*	.	H	α-helix	trans	-82.9	-26.6	176.9	-70.3	169.6	0	0	0	112.3	K452 I453 L454 P459	K452-L456 WeakPolarHBondContact O-CG 3.41Å; K452-L456 PolarHBondContact O-N 3.19Å; I453-L456 PolarHBondContact O-N 3.05Å; L454-L456 VanDerWaalsContact C-N 3.33Å; L454-L456 PolarHBondContact O-N 3.23Å; L456-P459 VanDerWaalsContact O-CD 3.29Å; L456-P459 WeakPolarHBondContact O-CD 3.26Å
457	L	55.8	Low	57.6	Low	15 Å²	15	79.2 Å²	79.2	8%	0.079	43%	0.431	C	S	.	.	H	α-helix	trans	-83.4	-24.6	178.3	-68.4	171	0	0	0	113.4	I453 L454 P459 L460 Q465 V468 K469	I453-L457 HydrophobicContact CG2-CD1 3.76Å; I453-L457 HydrophobicContact CG2-CG 4.26Å; I453-L457 VanDerWaalsContact O-CG 3.32Å; I453-L457 WeakPolarHBondContact O-CG 3.48Å; I453-L457 PolarHBondContact O-N 3.47Å; L454-L457 PolarHBondContact O-N 3Å; L457-P459 VanDerWaalsContact C-N 3.29Å; L457-P459 WeakPolarHBondContact O-CD 3.32Å; L457-P459 VanDerWaalsContact O-N 3.09Å; L457-L460 HydrophobicContact CD2-CD1 3.8Å; L457-L460 WeakPolarHBondContact O-CB 3.44Å; L457-L460 PolarHBondContact O-N 2.92Å; L457-Q465 VanDerWaalsContact O-CD 3.24Å; L457-Q465 WeakPolarHBondContact O-CG 3.44Å; L457-Q465 PolarHBondContact O-NE2 3.43Å; L457-V468 HydrophobicContact CD1-CG1 4.34Å; L457-V468 HydrophobicContact CD2-CB 4.2Å; L457-V468 HydrophobicContact CD2-CG1 3.79Å; L457-K469 HydrophobicContact CD1-CG 4.27Å
458	A	56.3	Low	57.7	Low	68 Å²	68	79.5 Å²	79.5	56%	0.562	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.5	-30.2	-179	0	0	0	0	0	117.2	L454 Q465	L454-A458 PolarHBondContact O-N 2.91Å; L454-A458 VanDerWaalsContact O-N 3.16Å; A458-Q465 PolarHBondContact O-NE2 3.48Å
459	P	55.6	Low	58.2	Low	113 Å²	113	77.7 Å²	77.7	73%	0.734	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-6.8	177.5	-10.9	28	0	0	0	115.9	L456 L457	L456-P459 VanDerWaalsContact O-CD 3.29Å; L456-P459 WeakPolarHBondContact O-CD 3.26Å; L457-P459 VanDerWaalsContact C-N 3.29Å; L457-P459 WeakPolarHBondContact O-CD 3.32Å; L457-P459 VanDerWaalsContact O-N 3.09Å
460	L	52.8	Low	58.5	Low	80 Å²	80	77.9 Å²	77.9	42%	0.419	43%	0.429	S	S	.	.	S	Bend	trans	-86.9	168.6	-172.8	-68.9	166.2	0	0	0	113.1	L457 Q465	L457-L460 HydrophobicContact CD2-CD1 3.8Å; L457-L460 WeakPolarHBondContact O-CB 3.44Å; L457-L460 PolarHBondContact O-N 2.92Å; L460-Q465 HydrophobicContact CB-CG 3.77Å; L460-Q465 PolarHBondContact O-NE2 3.29Å
461	V	61.9	Low	58.7	Low	90 Å²	90	74.5 Å²	74.5	55%	0.545	42%	0.42	S	S	.	.			trans	-70	143.6	176.6	-179.1	0	0	0	0	110.3	Q463 E464 Q465	V461-Q463 VanDerWaalsContact C-N 3.33Å; V461-Q463 PolarHBondContact O-N 3.48Å; V461-E464 HydrophobicContact CB-CG 4.43Å; V461-E464 PolarHBondContact O-N 3.11Å; V461-Q465 WeakPolarHBondContact O-CG 3.4Å; V461-Q465 PolarHBondContact O-N 2.89Å
462	T	58.5	Low	59.1	Low	93 Å²	93	74.1 Å²	74.1	57%	0.571	42%	0.415	S	S	*	.	H	α-helix	trans	-54.3	-40.9	-171.5	44.4	0	0	0	0	114.1	Q465 T466	T462-Q465 PolarHBondContact O-N 3.31Å; T462-T466 VanDerWaalsContact O-CG2 3.3Å; T462-T466 WeakPolarHBondContact O-CG2 3.26Å; T462-T466 PolarHBondContact O-N 2.99Å; T462-T466 PolarHBondContact O-OG1 2.93Å; T462-T466 VanDerWaalsContact O-OG1 3.12Å
463	Q	55.9	Low	59.6	Low	119 Å²	119	66.9 Å²	66.9	56%	0.556	38%	0.383	S	S	*	.	H	α-helix	trans	-67.3	-33.8	175.1	-84.3	-177.3	-40.8	0	0	114.2	E435 V461 T466 G467	E435-Q463 PolarHBondContact OE1-NE2 2.85Å; V461-Q463 VanDerWaalsContact C-N 3.33Å; V461-Q463 PolarHBondContact O-N 3.48Å; Q463-T466 WeakPolarHBondContact CA-OG1 3.32Å; Q463-T466 PolarHBondContact O-OG1 3.35Å; Q463-G467 PolarHBondContact O-N 2.87Å
464	E	58.1	Low	59.9	Low	114 Å²	114	63.9 Å²	63.9	53%	0.533	37%	0.368	S	S	.	.	H	α-helix	trans	-75.9	-33.3	176.7	-63.5	-179.3	159.5	0	0	110.7	V461 V468	V461-E464 HydrophobicContact CB-CG 4.43Å; V461-E464 PolarHBondContact O-N 3.11Å; E464-V468 WeakPolarHBondContact O-CB 3.34Å; E464-V468 VanDerWaalsContact O-CG2 3.24Å; E464-V468 WeakPolarHBondContact O-CG2 3.37Å; E464-V468 PolarHBondContact O-N 3.06Å; E464-V468 VanDerWaalsContact O-N 3.07Å
465	Q	61.6	Low	60.1	Low	37 Å²	37	71 Å²	71	17%	0.173	39%	0.392	C	S	.	.	H	α-helix	trans	-65.2	-47	172.6	-67.4	-173.2	20.5	0	0	111.4	L457 A458 L460 V461 T462 V468 K469	L457-Q465 VanDerWaalsContact O-CD 3.24Å; L457-Q465 WeakPolarHBondContact O-CG 3.44Å; L457-Q465 PolarHBondContact O-NE2 3.43Å; A458-Q465 PolarHBondContact O-NE2 3.48Å; L460-Q465 HydrophobicContact CB-CG 3.77Å; L460-Q465 PolarHBondContact O-NE2 3.29Å; V461-Q465 WeakPolarHBondContact O-CG 3.4Å; V461-Q465 PolarHBondContact O-N 2.89Å; T462-Q465 PolarHBondContact O-N 3.31Å; Q465-V468 PolarHBondContact O-N 3.06Å; Q465-K469 VanDerWaalsContact O-CB 3.24Å; Q465-K469 WeakPolarHBondContact O-CB 3.44Å; Q465-K469 WeakPolarHBondContact O-CG 3.2Å; Q465-K469 PolarHBondContact O-N 3.42Å
466	T	61	Low	59.7	Low	24 Å²	24	65.2 Å²	65.2	15%	0.147	37%	0.372	C	S	.	.	H	α-helix	trans	-66.5	-40.1	-179.9	52.9	0	0	0	0	111	E439 T462 Q463 K469 L470	E439-T466 HydrophobicContact CG-CG2 3.86Å; T462-T466 VanDerWaalsContact O-CG2 3.3Å; T462-T466 WeakPolarHBondContact O-CG2 3.26Å; T462-T466 PolarHBondContact O-N 2.99Å; T462-T466 PolarHBondContact O-OG1 2.93Å; T462-T466 VanDerWaalsContact O-OG1 3.12Å; Q463-T466 WeakPolarHBondContact CA-OG1 3.32Å; Q463-T466 PolarHBondContact O-OG1 3.35Å; T466-K469 PolarHBondContact O-N 2.9Å; T466-L470 WeakPolarHBondContact O-CB 3.43Å; T466-L470 PolarHBondContact O-N 2.97Å
467	G	62.3	Low	59.7	Low	44 Å²	44	60.9 Å²	60.9	45%	0.454	35%	0.349	S	S	.	.	H	α-helix	trans	-60.4	-46.6	173.3	0	0	0	0	0	113.7	Q463 L470 G471	Q463-G467 PolarHBondContact O-N 2.87Å; G467-L470 PolarHBondContact O-N 2.92Å; G467-G471 PolarHBondContact O-N 3.37Å
468	V	62.1	Low	59.6	Low	71 Å²	71	63.1 Å²	63.1	43%	0.43	38%	0.376	S	S	.	.	H	α-helix	trans	-71.5	-36.1	179.8	176.7	0	0	0	0	111.9	L457 E464 Q465 S472	L457-V468 HydrophobicContact CD1-CG1 4.34Å; L457-V468 HydrophobicContact CD2-CB 4.2Å; L457-V468 HydrophobicContact CD2-CG1 3.79Å; E464-V468 WeakPolarHBondContact O-CB 3.34Å; E464-V468 VanDerWaalsContact O-CG2 3.24Å; E464-V468 WeakPolarHBondContact O-CG2 3.37Å; E464-V468 PolarHBondContact O-N 3.06Å; E464-V468 VanDerWaalsContact O-N 3.07Å; Q465-V468 PolarHBondContact O-N 3.06Å; V468-S472 WeakPolarHBondContact O-CB 3.28Å; V468-S472 PolarHBondContact O-N 3.08Å; V468-S472 PolarHBondContact O-OG 3.03Å
469	K	63.4	Low	59.8	Low	21 Å²	21	60.2 Å²	60.2	9%	0.091	35%	0.351	C	S	.	.	H	α-helix	trans	-63.4	-50.4	172.5	-76.2	175.9	169.6	-156.3	0	110.8	C442 D446 I449 L457 Q465 T466 G471 S472 I473	C442-K469 HydrophobicContact CB-CB 4.47Å; C442-K469 HydrophobicContact CB-CD 4.45Å; D446-K469 WeakPolarHBondContact OD1-CD 3.43Å; D446-K469 WeakPolarHBondContact OD1-CE 3.35Å; D446-K469 IonicContact OD1-NZ 3.41Å; D446-K469 PolarHBondContact OD1-NZ 3.48Å; D446-K469 IonicContact OD2-NZ 3.39Å; D446-K469 PolarHBondContact OD2-NZ 2.94Å; I449-K469 HydrophobicContact CD1-CB 3.79Å; I449-K469 HydrophobicContact CD1-CG 3.71Å; L457-K469 HydrophobicContact CD1-CG 4.27Å; Q465-K469 VanDerWaalsContact O-CB 3.24Å; Q465-K469 WeakPolarHBondContact O-CB 3.44Å; Q465-K469 WeakPolarHBondContact O-CG 3.2Å; Q465-K469 PolarHBondContact O-N 3.42Å; T466-K469 PolarHBondContact O-N 2.9Å; K469-G471 PolarHBondContact O-N 3.24Å; K469-S472 WeakPolarHBondContact O-CB 3.48Å; K469-S472 PolarHBondContact O-N 3.43Å; K469-S472 VanDerWaalsContact O-N 3.17Å; K469-I473 HydrophobicContact CB-CD1 4.4Å; K469-I473 WeakPolarHBondContact O-CB 3.42Å; K469-I473 WeakPolarHBondContact O-CD1 3.47Å; K469-I473 VanDerWaalsContact O-CG1 3.25Å; K469-I473 WeakPolarHBondContact O-CG1 3.33Å; K469-I473 PolarHBondContact O-N 3.49Å
470	L	65.6	Low	59.9	Low	15 Å²	15	59.4 Å²	59.4	8%	0.079	34%	0.34	C	S	.	.	H	α-helix	trans	-60.8	-46	-179.8	-162.3	84.2	0	0	0	111	R438 L441 T466 G467 S472 I473 L474 L484	R438-L470 HydrophobicContact CG-CD2 4.3Å; L441-L470 HydrophobicContact CD2-CD1 3.78Å; T466-L470 WeakPolarHBondContact O-CB 3.43Å; T466-L470 PolarHBondContact O-N 2.97Å; G467-L470 PolarHBondContact O-N 2.92Å; L470-S472 VanDerWaalsContact C-N 3.32Å; L470-S472 PolarHBondContact O-N 2.91Å; L470-I473 PolarHBondContact O-N 3.26Å; L470-L474 HydrophobicContact CD2-CD1 4.18Å; L470-L474 HydrophobicContact CG-CD1 4Å; L470-L474 HydrophobicContact CG-CG 4.41Å; L470-L474 WeakPolarHBondContact O-CB 3.29Å; L470-L474 WeakPolarHBondContact O-CG 3.15Å; L470-L474 PolarHBondContact O-N 3.33Å; L470-L484 HydrophobicContact CD2-CD1 4.21Å; L470-L484 HydrophobicContact CD2-CD2 3.75Å
471	G	58.8	Low	60.1	Low	27 Å²	27	63.2 Å²	63.2	28%	0.278	36%	0.356	S	S	.	.	H	α-helix	trans	-61.2	-39.8	175.7	0	0	0	0	0	112.7	G467 K469 Y475	G467-G471 PolarHBondContact O-N 3.37Å; K469-G471 PolarHBondContact O-N 3.24Å; G471-Y475 VanDerWaalsContact O-CB 3.25Å; G471-Y475 WeakPolarHBondContact O-CB 3.44Å; G471-Y475 PolarHBondContact O-N 2.7Å
472	S	63.1	Low	59.8	Low	44 Å²	44	68.4 Å²	68.4	31%	0.308	37%	0.366	S	S	.	.	H	α-helix	trans	-66.2	-42.3	175	-59.1	0	0	0	0	111.8	V468 K469 L470 Y475 T476	V468-S472 WeakPolarHBondContact O-CB 3.28Å; V468-S472 PolarHBondContact O-N 3.08Å; V468-S472 PolarHBondContact O-OG 3.03Å; K469-S472 WeakPolarHBondContact O-CB 3.48Å; K469-S472 PolarHBondContact O-N 3.43Å; K469-S472 VanDerWaalsContact O-N 3.17Å; L470-S472 VanDerWaalsContact C-N 3.32Å; L470-S472 PolarHBondContact O-N 2.91Å; S472-Y475 PolarHBondContact O-N 3.18Å; S472-T476 VanDerWaalsContact O-CG2 3.26Å; S472-T476 WeakPolarHBondContact O-CG2 3.48Å; S472-T476 PolarHBondContact O-N 3.4Å; S472-T476 PolarHBondContact O-OG1 3.02Å
473	I	63.7	Low	60.1	Low	0 Å²	0	65.5 Å²	65.5	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-66.3	-47.1	178.7	-71.1	155.4	0	0	0	110.6	T445 I449 K469 L470 Y475 T476 L477	T445-I473 WeakPolarHBondContact OG1-CD1 3.17Å; I449-I473 HydrophobicContact CD1-CD1 3.85Å; I449-I473 HydrophobicContact CD1-CG1 3.9Å; I449-I473 HydrophobicContact CG1-CD1 4.41Å; I449-I473 HydrophobicContact CG1-CG1 4.01Å; K469-I473 HydrophobicContact CB-CD1 4.4Å; K469-I473 WeakPolarHBondContact O-CB 3.42Å; K469-I473 WeakPolarHBondContact O-CD1 3.47Å; K469-I473 VanDerWaalsContact O-CG1 3.25Å; K469-I473 WeakPolarHBondContact O-CG1 3.33Å; K469-I473 PolarHBondContact O-N 3.49Å; L470-I473 PolarHBondContact O-N 3.26Å; I473-Y475 VanDerWaalsContact C-N 3.33Å; I473-Y475 PolarHBondContact O-N 3.12Å; I473-T476 WeakPolarHBondContact CA-OG1 3.21Å; I473-T476 PolarHBondContact O-N 3.45Å; I473-T476 VanDerWaalsContact O-N 3.11Å; I473-T476 PolarHBondContact O-OG1 3.22Å; I473-L477 HydrophobicContact CG2-CD1 3.61Å; I473-L477 HydrophobicContact CG2-CG 4.33Å; I473-L477 WeakPolarHBondContact O-CB 3.05Å; I473-L477 WeakPolarHBondContact O-CG 3.42Å; I473-L477 PolarHBondContact O-N 2.82Å
474	L	63.3	Low	60.5	Low	7 Å²	7	60.9 Å²	60.9	4%	0.037	33%	0.326	C	S	.	.	H	α-helix	trans	-61	-42.2	177	-70	169.2	0	0	0	111.4	L470 T476 L477 G478 I479 L484	L470-L474 HydrophobicContact CD2-CD1 4.18Å; L470-L474 HydrophobicContact CG-CD1 4Å; L470-L474 HydrophobicContact CG-CG 4.41Å; L470-L474 WeakPolarHBondContact O-CB 3.29Å; L470-L474 WeakPolarHBondContact O-CG 3.15Å; L470-L474 PolarHBondContact O-N 3.33Å; L474-T476 PolarHBondContact O-N 2.74Å; L474-L477 CarbonylContact O-C 3.5Å; L474-L477 PolarHBondContact O-N 3.41Å; L474-G478 PolarHBondContact O-N 3.01Å; L474-I479 HydrophobicContact CD2-CB 3.86Å; L474-I479 HydrophobicContact CD2-CD1 4.22Å; L474-I479 HydrophobicContact CD2-CG2 4.02Å; L474-I479 PolarHBondContact O-N 3.17Å; L474-L484 HydrophobicContact CD1-CD1 4.01Å; L474-L484 HydrophobicContact CD1-CD2 4.2Å; L474-L484 HydrophobicContact CD2-CD1 4.18Å
475	Y	62.6	Low	60.7	Low	201 Å²	201	58.7 Å²	58.7	79%	0.788	32%	0.321	S	S	*	.	H	α-helix	trans	-61.8	-41.6	173.2	-176.7	-97.3	0	0	0	112.1	G471 S472 I473 G478	G471-Y475 VanDerWaalsContact O-CB 3.25Å; G471-Y475 WeakPolarHBondContact O-CB 3.44Å; G471-Y475 PolarHBondContact O-N 2.7Å; S472-Y475 PolarHBondContact O-N 3.18Å; I473-Y475 VanDerWaalsContact C-N 3.33Å; I473-Y475 PolarHBondContact O-N 3.12Å; Y475-G478 PolarHBondContact O-N 3.38Å
476	T	55.1	Low	61	Low	50 Å²	50	62.3 Å²	62.3	31%	0.307	34%	0.336	S	S	.	.	H	α-helix	trans	-69.5	-30.7	176.6	57.8	0	0	0	0	113.6	S472 I473 L474 M551	S472-T476 VanDerWaalsContact O-CG2 3.26Å; S472-T476 WeakPolarHBondContact O-CG2 3.48Å; S472-T476 PolarHBondContact O-N 3.4Å; S472-T476 PolarHBondContact O-OG1 3.02Å; I473-T476 WeakPolarHBondContact CA-OG1 3.21Å; I473-T476 PolarHBondContact O-N 3.45Å; I473-T476 VanDerWaalsContact O-N 3.11Å; I473-T476 PolarHBondContact O-OG1 3.22Å; L474-T476 PolarHBondContact O-N 2.74Å; T476-M551 WeakPolarHBondContact O-CE 3.24Å
477	L	55.7	Low	61.2	Low	45 Å²	45	61.2 Å²	61.2	24%	0.236	33%	0.33	C	S	.	.	H	α-helix	trans	-86.7	-10.1	177.6	-67.3	171	0	0	0	112.9	L448 I473 L474 I479 L515 L519	L448-L477 HydrophobicContact CD1-CD2 4.4Å; I473-L477 HydrophobicContact CG2-CD1 3.61Å; I473-L477 HydrophobicContact CG2-CG 4.33Å; I473-L477 WeakPolarHBondContact O-CB 3.05Å; I473-L477 WeakPolarHBondContact O-CG 3.42Å; I473-L477 PolarHBondContact O-N 2.82Å; L474-L477 CarbonylContact O-C 3.5Å; L474-L477 PolarHBondContact O-N 3.41Å; L477-I479 HydrophobicContact CB-CD1 4.39Å; L477-I479 HydrophobicContact CB-CG1 4.28Å; L477-L515 HydrophobicContact CD1-CD2 3.92Å; L477-L519 HydrophobicContact CD2-CD1 4.32Å
478	G	55.2	Low	61.2	Low	63 Å²	63	59.4 Å²	59.4	65%	0.649	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.7	24.5	179.4	0	0	0	0	0	114.4	L474 Y475	L474-G478 PolarHBondContact O-N 3.01Å; Y475-G478 PolarHBondContact O-N 3.38Å
479	I	59.4	Low	61.4	Low	7 Å²	7	60.1 Å²	60.1	4%	0.036	31%	0.311	C	S	.	.			trans	-95.6	125.8	177.5	-55.4	177	0	0	0	108.6	L474 L477 D483 L487 F518 L519	L474-I479 HydrophobicContact CD2-CB 3.86Å; L474-I479 HydrophobicContact CD2-CD1 4.22Å; L474-I479 HydrophobicContact CD2-CG2 4.02Å; L474-I479 PolarHBondContact O-N 3.17Å; L477-I479 HydrophobicContact CB-CD1 4.39Å; L477-I479 HydrophobicContact CB-CG1 4.28Å; I479-D483 HydrophobicContact CG2-CB 4.11Å; I479-L487 HydrophobicContact CD1-CD2 4.16Å; I479-F518 HydrophobicContact CD1-CE1 4.47Å; I479-L519 HydrophobicContact CD1-CD2 3.83Å; I479-L519 HydrophobicContact CG1-CD2 3.89Å
480	D	57.7	Low	61.5	Low	96 Å²	96	60.6 Å²	60.6	51%	0.513	31%	0.313	S	S	.	.			trans	-69.9	145.3	174.5	-82.2	-6.5	0	0	0	110.7	R482 D483	D480-R482 PolarHBondContact O-N 2.8Å; D480-R482 IonicContact OD2-NH2 2.67Å; D480-D483 PolarHBondContact O-N 2.87Å
481	E	57	Low	61.4	Low	159 Å²	159	59.9 Å²	59.9	74%	0.743	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-53.3	-23.7	177.1	-68.3	177.5	172	0	0	113.5	L484	E481-L484 WeakPolarHBondContact O-CB 3.41Å
482	R	56.2	Low	61.6	Low	199 Å²	199	60.9 Å²	60.9	75%	0.751	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-73.5	-21.7	178.1	-68.3	-176.5	-80.2	-141.2	-4.9	114.5	D480	D480-R482 PolarHBondContact O-N 2.8Å; D480-R482 IonicContact OD2-NH2 2.67Å
483	D	63.9	Low	61.5	Low	33 Å²	33	62.1 Å²	62.1	18%	0.176	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-98.2	-3.7	-180	-73.7	-30.5	0	0	0	112.9	I479 D480 K486 L487 Q522	I479-D483 HydrophobicContact CG2-CB 4.11Å; D480-D483 PolarHBondContact O-N 2.87Å; D483-K486 WeakPolarHBondContact O-CB 3.44Å; D483-K486 PolarHBondContact O-N 2.99Å; D483-K486 VanDerWaalsContact O-N 3.15Å; D483-K486 IonicContact OD1-NZ 2.78Å; D483-K486 PolarHBondContact OD1-NZ 3.29Å; D483-L487 PolarHBondContact O-N 3.28Å; D483-Q522 PolarHBondContact OD2-NE2 3.21Å
484	L	65.2	Low	61.1	Low	21 Å²	21	65.2 Å²	65.2	11%	0.11	33%	0.331	C	S	.	.	H	α-helix	trans	-53.5	-48.9	174.3	-174.7	60.1	0	0	0	113.4	L470 L474 E481 K486 L487 M488	L470-L484 HydrophobicContact CD2-CD1 4.21Å; L470-L484 HydrophobicContact CD2-CD2 3.75Å; L474-L484 HydrophobicContact CD1-CD1 4.01Å; L474-L484 HydrophobicContact CD1-CD2 4.2Å; L474-L484 HydrophobicContact CD2-CD1 4.18Å; E481-L484 WeakPolarHBondContact O-CB 3.41Å; L484-K486 VanDerWaalsContact C-N 3.26Å; L484-K486 PolarHBondContact O-N 3.2Å; L484-L487 WeakPolarHBondContact O-CB 3.41Å; L484-L487 PolarHBondContact O-N 3.22Å; L484-L487 VanDerWaalsContact O-N 3.14Å; L484-M488 VanDerWaalsContact O-CG 3.28Å; L484-M488 WeakPolarHBondContact O-CG 3.49Å; L484-M488 PolarHBondContact O-N 2.93Å
485	P	62.8	Low	60.4	Low	68 Å²	68	66 Å²	66	44%	0.442	34%	0.338	S	S	.	.	H	α-helix	trans	-61.4	-33.5	177.8	19.8	-30.5	0	0	0	113	M488 D489	P485-M488 PolarHBondContact O-N 3.49Å; P485-D489 VanDerWaalsContact O-CG 3.25Å; P485-D489 PolarHBondContact O-N 2.91Å
486	K	66.2	Low	59.7	Low	113 Å²	113	60.1 Å²	60.1	49%	0.491	33%	0.331	S	S	.	.	H	α-helix	trans	-71	-33.2	176.7	-59	173.1	-168.8	154.3	0	112.6	D483 L484 F490	D483-K486 WeakPolarHBondContact O-CB 3.44Å; D483-K486 PolarHBondContact O-N 2.99Å; D483-K486 VanDerWaalsContact O-N 3.15Å; D483-K486 IonicContact OD1-NZ 2.78Å; D483-K486 PolarHBondContact OD1-NZ 3.29Å; L484-K486 VanDerWaalsContact C-N 3.26Å; L484-K486 PolarHBondContact O-N 3.2Å; K486-F490 VanDerWaalsContact O-CB 3.3Å; K486-F490 WeakPolarHBondContact O-CB 3.35Å; K486-F490 PolarHBondContact O-N 3.38Å; K486-F490 VanDerWaalsContact O-N 3.08Å
487	L	65.3	Low	59.5	Low	1 Å²	1	62.3 Å²	62.3	1%	0.005	35%	0.348	C	S	.	.	H	α-helix	trans	-67	-41.1	172.2	173.4	64.5	0	0	0	110.4	I479 D483 L484 F490 L491 L515 F518	I479-L487 HydrophobicContact CD1-CD2 4.16Å; D483-L487 PolarHBondContact O-N 3.28Å; L484-L487 WeakPolarHBondContact O-CB 3.41Å; L484-L487 PolarHBondContact O-N 3.22Å; L484-L487 VanDerWaalsContact O-N 3.14Å; L487-F490 PolarHBondContact O-N 2.97Å; L487-L491 HydrophobicContact CD1-CD1 4.21Å; L487-L491 HydrophobicContact CD1-CG 4.23Å; L487-L491 HydrophobicContact CG-CD1 4.11Å; L487-L491 VanDerWaalsContact O-CG 3.28Å; L487-L491 WeakPolarHBondContact O-CG 3.42Å; L487-L491 PolarHBondContact O-N 3.27Å; L487-L515 HydrophobicContact CD1-CD1 4.1Å; L487-L515 HydrophobicContact CD2-CD1 4.05Å; L487-F518 HydrophobicContact CB-CD1 4.4Å; L487-F518 HydrophobicContact CB-CE1 3.88Å; L487-F518 HydrophobicContact CB-CE2 4.26Å; L487-F518 HydrophobicContact CB-CZ 3.79Å; L487-F518 HydrophobicContact CD1-CB 3.97Å; L487-F518 HydrophobicContact CD1-CD1 3.44Å; L487-F518 VanDerWaalsContact CD1-CD1 3.44Å; L487-F518 HydrophobicContact CD1-CD2 4.07Å; L487-F518 HydrophobicContact CD1-CE1 3.83Å; L487-F518 HydrophobicContact CD1-CE2 4.4Å; L487-F518 HydrophobicContact CD1-CG 3.54Å; L487-F518 HydrophobicContact CD1-CZ 4.28Å; L487-F518 HydrophobicContact CG-CD1 4.41Å; L487-F518 HydrophobicContact CG-CE1 4.35Å
488	M	63.2	Low	59.1	Low	7 Å²	7	64.5 Å²	64.5	3%	0.034	36%	0.363	C	S	.	.	H	α-helix	trans	-64.7	-46.3	177.8	-61.2	-62.5	-73.5	0	0	111.4	Q434 L437 R438 L484 P485 F490 L491 D492	Q434-M488 HydrophobicContact CB-CE 4.32Å; Q434-M488 VanDerWaalsContact O-CE 3.29Å; Q434-M488 WeakPolarHBondContact O-CE 3.29Å; L437-M488 HydrophobicContact CB-CE 3.75Å; L437-M488 HydrophobicContact CD2-CE 3.47Å; L437-M488 VanDerWaalsContact CD2-CE 3.47Å; L437-M488 HydrophobicContact CD2-SD 3.8Å; L437-M488 HydrophobicContact CG-CE 4.22Å; R438-M488 HydrophobicContact CG-CE 3.86Å; R438-M488 HydrophobicContact CG-SD 4.31Å; L484-M488 VanDerWaalsContact O-CG 3.28Å; L484-M488 WeakPolarHBondContact O-CG 3.49Å; L484-M488 PolarHBondContact O-N 2.93Å; P485-M488 PolarHBondContact O-N 3.49Å; M488-F490 PolarHBondContact O-N 2.95Å; M488-L491 PolarHBondContact O-N 3.01Å; M488-D492 PolarHBondContact O-N 2.78Å
489	D	65.9	Low	58.4	Low	86 Å²	86	65.2 Å²	65.2	46%	0.46	35%	0.354	S	S	.	.	H	α-helix	trans	-61.2	-34.5	174.7	-65	-18.4	0	0	0	112	P485 S493	P485-D489 VanDerWaalsContact O-CG 3.25Å; P485-D489 PolarHBondContact O-N 2.91Å; D489-S493 WeakPolarHBondContact O-CB 3.49Å; D489-S493 PolarHBondContact O-N 3.39Å; D489-S493 PolarHBondContact O-OG 3.34Å
490	F	66.6	Low	57.6	Low	31 Å²	31	71 Å²	71	14%	0.136	40%	0.395	C	S	.	.	H	α-helix	trans	-71.7	-38.3	177	-173	-94	0	0	0	112.9	K486 L487 M488 S493 H494 S517 F518 Q521	K486-F490 VanDerWaalsContact O-CB 3.3Å; K486-F490 WeakPolarHBondContact O-CB 3.35Å; K486-F490 PolarHBondContact O-N 3.38Å; K486-F490 VanDerWaalsContact O-N 3.08Å; L487-F490 PolarHBondContact O-N 2.97Å; M488-F490 PolarHBondContact O-N 2.95Å; F490-S493 VanDerWaalsContact CA-OG 3.28Å; F490-S493 WeakPolarHBondContact CA-OG 3.5Å; F490-S493 PolarHBondContact O-OG 3.11Å; F490-S493 VanDerWaalsContact O-OG 3.11Å; F490-H494 AromaticContact CE1-CE1 3.64Å; F490-H494 AromaticContact CE1-ND1 3.58Å; F490-H494 AromaticContact CZ-CE1 3.43Å; F490-H494 VanDerWaalsContact CZ-CE1 3.43Å; F490-H494 WeakPolarHBondContact CZ-CE1 3.42Å; F490-H494 AromaticContact CZ-ND1 3.62Å; F490-H494 WeakPolarHBondContact O-CB 3.29Å; F490-H494 PolarHBondContact O-N 3Å; F490-S517 WeakPolarHBondContact CE1-OG 3.16Å; F490-F518 HydrophobicContact CB-CD2 3.72Å; F490-F518 HydrophobicContact CB-CE2 4.07Å; F490-F518 HydrophobicContact CD1-CB 3.75Å; F490-F518 AromaticContact CD1-CD2 3.76Å; F490-F518 HydrophobicContact CD1-CD2 3.76Å; F490-F518 HydrophobicContact CD1-CG 4.2Å; F490-F518 HydrophobicContact CD2-CD2 4.14Å; F490-F518 HydrophobicContact CE1-CB 3.79Å; F490-F518 HydrophobicContact CE1-CD2 4.38Å; F490-F518 HydrophobicContact CG-CB 4.46Å; F490-F518 AromaticContact CG-CD2 3.61Å; F490-F518 HydrophobicContact CG-CD2 3.61Å; F490-F518 HydrophobicContact CG-CE2 4.37Å; F490-F518 HydrophobicContact CG-CG 4.48Å; F490-Q521 VanDerWaalsContact CE2-OE1 3.28Å
491	L	63.3	Low	56.6	Low	0 Å²	0	72 Å²	72	0%	0	41%	0.406	C	S	.	.	H	α-helix	trans	-66.2	-41.5	175.8	-71.9	171.1	0	0	0	110.4	L437 L441 L487 M488 H494 S495 I506 A514	L437-L491 HydrophobicContact CD2-CB 3.93Å; L437-L491 HydrophobicContact CD2-CD1 3.78Å; L441-L491 HydrophobicContact CD1-CD1 3.84Å; L487-L491 HydrophobicContact CD1-CD1 4.21Å; L487-L491 HydrophobicContact CD1-CG 4.23Å; L487-L491 HydrophobicContact CG-CD1 4.11Å; L487-L491 VanDerWaalsContact O-CG 3.28Å; L487-L491 WeakPolarHBondContact O-CG 3.42Å; L487-L491 PolarHBondContact O-N 3.27Å; M488-L491 PolarHBondContact O-N 3.01Å; L491-H494 WeakPolarHBondContact O-CB 3.44Å; L491-H494 PolarHBondContact O-N 3.03Å; L491-S495 PolarHBondContact O-N 2.98Å; L491-I506 HydrophobicContact CB-CD1 3.97Å; L491-I506 WeakPolarHBondContact O-CD1 3.49Å; L491-A514 HydrophobicContact CD2-CB 3.5Å; L491-A514 VanDerWaalsContact CD2-CB 3.5Å
492	D	61.9	Low	55.9	Low	47 Å²	47	70.1 Å²	70.1	25%	0.251	41%	0.41	S	S	.	.	H	α-helix	trans	-69	-38.7	176.9	-114.2	-1.5	0	0	0	113.1	L429 M488 H494 S495 A496	L429-D492 HydrophobicContact CD1-CB 4.24Å; L429-D492 WeakPolarHBondContact CD1-OD2 3.41Å; L429-D492 WeakPolarHBondContact CD2-OD2 3.25Å; M488-D492 PolarHBondContact O-N 2.78Å; D492-H494 VanDerWaalsContact C-N 3.27Å; D492-H494 PolarHBondContact O-N 3.33Å; D492-S495 WeakPolarHBondContact O-CB 3.25Å; D492-S495 PolarHBondContact O-N 3.46Å; D492-S495 VanDerWaalsContact O-N 3.13Å; D492-S495 PolarHBondContact O-OG 3.17Å; D492-A496 PolarHBondContact O-N 3.25Å; D492-A496 VanDerWaalsContact O-N 3.17Å
493	S	61.7	Low	55.2	Low	70 Å²	70	68.1 Å²	68.1	49%	0.49	41%	0.413	S	S	.	.	H	α-helix	trans	-67.8	-27.6	172.2	46.3	0	0	0	0	113	D489 F490	D489-S493 WeakPolarHBondContact O-CB 3.49Å; D489-S493 PolarHBondContact O-N 3.39Å; D489-S493 PolarHBondContact O-OG 3.34Å; F490-S493 VanDerWaalsContact CA-OG 3.28Å; F490-S493 WeakPolarHBondContact CA-OG 3.5Å; F490-S493 PolarHBondContact O-OG 3.11Å; F490-S493 VanDerWaalsContact O-OG 3.11Å
494	H	55.7	Low	54.3	Low	66 Å²	66	73.2 Å²	73.2	31%	0.306	44%	0.44	S	S	.	.	H	α-helix	trans	-73.4	-28.8	169.6	-106.1	61.4	0	0	0	113.3	F490 L491 D492 V498 A514 S517	F490-H494 AromaticContact CE1-CE1 3.64Å; F490-H494 AromaticContact CE1-ND1 3.58Å; F490-H494 AromaticContact CZ-CE1 3.43Å; F490-H494 VanDerWaalsContact CZ-CE1 3.43Å; F490-H494 WeakPolarHBondContact CZ-CE1 3.42Å; F490-H494 AromaticContact CZ-ND1 3.62Å; F490-H494 WeakPolarHBondContact O-CB 3.29Å; F490-H494 PolarHBondContact O-N 3Å; L491-H494 WeakPolarHBondContact O-CB 3.44Å; L491-H494 PolarHBondContact O-N 3.03Å; D492-H494 VanDerWaalsContact C-N 3.27Å; D492-H494 PolarHBondContact O-N 3.33Å; H494-V498 WeakPolarHBondContact O-CG2 3.45Å; H494-A514 HydrophobicContact CB-CB 4.19Å; H494-S517 PolarHBondContact NE2-OG 3.43Å
495	S	48.7	Very low	53.8	Low	24 Å²	24	75.9 Å²	75.9	17%	0.168	45%	0.454	C	S	.	.	H	α-helix	trans	-67.8	-44.7	175.8	85.3	0	0	0	0	110.7	L491 D492 S497 V498 T499	L491-S495 PolarHBondContact O-N 2.98Å; D492-S495 WeakPolarHBondContact O-CB 3.25Å; D492-S495 PolarHBondContact O-N 3.46Å; D492-S495 VanDerWaalsContact O-N 3.13Å; D492-S495 PolarHBondContact O-OG 3.17Å; S495-S497 VanDerWaalsContact C-N 3.26Å; S495-S497 PolarHBondContact O-N 3.17Å; S495-V498 PolarHBondContact O-N 2.93Å; S495-T499 PolarHBondContact O-N 2.84Å; S495-T499 PolarHBondContact O-OG1 2.85Å
496	A	47.9	Very low	53.5	Low	77 Å²	77	73.5 Å²	73.5	64%	0.636	44%	0.438	S	S	*	.	H	α-helix	trans	-63.4	-27.2	178.3	0	0	0	0	0	114	D492	D492-A496 PolarHBondContact O-N 3.25Å; D492-A496 VanDerWaalsContact O-N 3.17Å
497	S	50.1	Low	52.9	Low	95 Å²	95	73.5 Å²	73.5	66%	0.664	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-19.2	-179.8	147.5	0	0	0	0	114	S495	S495-S497 VanDerWaalsContact C-N 3.26Å; S495-S497 PolarHBondContact O-N 3.17Å
498	V	47.7	Very low	52.3	Low	91 Å²	91	75.4 Å²	75.4	55%	0.552	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.8	-23.7	-167.5	-179.9	0	0	0	0	112.7	H494 S495	H494-V498 WeakPolarHBondContact O-CG2 3.45Å; S495-V498 PolarHBondContact O-N 2.93Å
499	T	41	Very low	51.8	Low	78 Å²	78	79.8 Å²	79.8	48%	0.479	48%	0.475	S	S	.	.			trans	-127	110	179.5	45.4	0	0	0	0	111.7	S495 T501	S495-T499 PolarHBondContact O-N 2.84Å; S495-T499 PolarHBondContact O-OG1 2.85Å; T499-T501 PolarHBondContact O-N 3.36Å
500	S	41.3	Very low	51.3	Low	128 Å²	128	79.1 Å²	79.1	90%	0.895	47%	0.469	S	S	*	.	S	Bend	trans	-77.5	52	175.3	50.2	0	0	0	0	112.7
501	T	36.5	Very low	51	Low	119 Å²	119	77.9 Å²	77.9	73%	0.73	46%	0.464	S	S	*	.	S	Bend	trans	-155.9	127.7	167	-33.2	0	0	0	0	108.6	T499 L503	T499-T501 PolarHBondContact O-N 3.36Å; T501-L503 PolarHBondContact O-N 3.29Å; T501-L503 VanDerWaalsContact O-N 3.12Å
502	S	43.4	Very low	50.8	Low	118 Å²	118	80.4 Å²	80.4	83%	0.825	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	29.4	-150.5	64.7	0	0	0	0	117.3
503	L	41.8	Very low	50.6	Low	157 Å²	157	86 Å²	86	82%	0.822	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-151.2	11.2	-173.3	-98.1	168.7	0	0	0	118.6	T501	T501-L503 PolarHBondContact O-N 3.29Å; T501-L503 VanDerWaalsContact O-N 3.12Å
504	D	44.8	Very low	50.5	Low	141 Å²	141	82.9 Å²	82.9	75%	0.754	47%	0.473	S	S	*	.			trans	-119.2	130.9	177.5	-75.2	-25	0	0	0	113.1
505	L	54.8	Low	50.8	Low	77 Å²	77	80.3 Å²	80.3	40%	0.403	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-55.9	154.4	176.7	-88.2	92.1	0	0	0	113.1	E436 L437 H507	E436-L505 HydrophobicContact CB-CD2 4.15Å; L437-L505 HydrophobicContact CB-CD2 4.43Å; L437-L505 HydrophobicContact CD1-CD2 4.21Å; L505-H507 PolarHBondContact O-N 2.9Å
506	I	55.6	Low	51.2	Low	18 Å²	18	83 Å²	83	9%	0.092	47%	0.47	C	S	.	.	P	Polyproline II helix	trans	-50.4	123	179.7	-56.6	168.3	0	0	0	111	L437 L440 L491 H510 V511	L437-I506 HydrophobicContact CD1-CD1 4.27Å; L440-I506 WeakPolarHBondContact CD2-O 3.41Å; L491-I506 HydrophobicContact CB-CD1 3.97Å; L491-I506 WeakPolarHBondContact O-CD1 3.49Å; I506-H510 HydrophobicContact CG2-CB 3.76Å; I506-V511 HydrophobicContact CB-CG2 4.31Å; I506-V511 HydrophobicContact CG2-CG2 3.81Å
507	H	53.1	Low	51.7	Low	112 Å²	112	80.6 Å²	80.6	52%	0.519	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-57.8	133.9	174.2	-178.4	-66.3	0	0	0	110.6	L505 N509 H510	L505-H507 PolarHBondContact O-N 2.9Å; H507-N509 VanDerWaalsContact C-N 3.26Å; H507-N509 PolarHBondContact CE1-ND2 3.21Å; H507-N509 PolarHBondContact ND1-N 2.98Å; H507-N509 PolarHBondContact O-N 3.24Å; H507-H510 WeakPolarHBondContact O-CB 3.5Å; H507-H510 PolarHBondContact O-N 3.47Å
508	P	52.5	Low	52.2	Low	42 Å²	42	76.8 Å²	76.8	27%	0.273	42%	0.421	S	S	.	.	H	α-helix	trans	-52.1	-36.7	-167.4	-22	22.2	0	0	0	115.5	L440 E444 H510 V511	L440-P508 HydrophobicContact CD1-CG 4.43Å; E444-P508 HydrophobicContact CG-CB 3.79Å; E444-P508 WeakPolarHBondContact OE1-CB 3.3Å; P508-H510 PolarHBondContact O-N 3.43Å; P508-H510 VanDerWaalsContact O-N 3.12Å; P508-V511 PolarHBondContact O-N 2.95Å
509	N	52.5	Low	52.7	Low	98 Å²	98	74.8 Å²	74.8	52%	0.524	41%	0.407	S	S	.	.	H	α-helix	trans	-61.4	-17	174.9	-70.5	-24.9	0	0	0	115.9	H507	H507-N509 VanDerWaalsContact C-N 3.26Å; H507-N509 PolarHBondContact CE1-ND2 3.21Å; H507-N509 PolarHBondContact ND1-N 2.98Å; H507-N509 PolarHBondContact O-N 3.24Å
510	H	56.6	Low	53.4	Low	72 Å²	72	75 Å²	75	33%	0.333	40%	0.402	S	S	.	.	H	α-helix	trans	-96.6	-17.8	-177.5	-68.3	-98.4	0	0	0	112.9	I506 H507 P508 L512 R513 A514	I506-H510 HydrophobicContact CG2-CB 3.76Å; H507-H510 WeakPolarHBondContact O-CB 3.5Å; H507-H510 PolarHBondContact O-N 3.47Å; P508-H510 PolarHBondContact O-N 3.43Å; P508-H510 VanDerWaalsContact O-N 3.12Å; H510-L512 PolarHBondContact O-N 3.36Å; H510-R513 PolarHBondContact O-N 3.02Å; H510-R513 VanDerWaalsContact O-N 3.15Å; H510-A514 PolarHBondContact O-N 2.84Å
511	V	60.7	Low	54.1	Low	5 Å²	5	74.6 Å²	74.6	3%	0.03	39%	0.386	C	S	.	.	H	α-helix	trans	-61	-47.2	-179.9	179.3	0	0	0	0	111.1	L440 L441 I506 P508 R513 A514 L515	L440-V511 HydrophobicContact CD2-CG2 3.84Å; L440-V511 HydrophobicContact CG-CG2 4.48Å; L441-V511 HydrophobicContact CD1-CG1 3.68Å; I506-V511 HydrophobicContact CB-CG2 4.31Å; I506-V511 HydrophobicContact CG2-CG2 3.81Å; P508-V511 PolarHBondContact O-N 2.95Å; V511-R513 VanDerWaalsContact C-N 3.27Å; V511-R513 PolarHBondContact O-N 3.41Å; V511-A514 PolarHBondContact O-N 3.33Å; V511-L515 WeakPolarHBondContact O-CB 3.44Å; V511-L515 PolarHBondContact O-N 2.87Å
512	L	58.2	Low	54.9	Low	54 Å²	54	71.3 Å²	71.3	28%	0.283	36%	0.363	S	S	.	.	H	α-helix	trans	-64.9	-29.7	177.5	-68.8	173	0	0	0	113.2	T445 F447 H510 K516	T445-L512 HydrophobicContact CG2-CD2 3.89Å; F447-L512 HydrophobicContact CE1-CD2 4.4Å; H510-L512 PolarHBondContact O-N 3.36Å; L512-K516 WeakPolarHBondContact O-CB 3.41Å; L512-K516 PolarHBondContact O-N 3.44Å; L512-K516 VanDerWaalsContact O-N 3.12Å
513	R	58.1	Low	55.1	Low	165 Å²	165	68.5 Å²	68.5	62%	0.623	34%	0.343	S	S	*	.	H	α-helix	trans	-75.3	-39.5	177.9	-174	-179.9	-71	135.4	-1.5	111.3	H510 V511 K516 S517	H510-R513 PolarHBondContact O-N 3.02Å; H510-R513 VanDerWaalsContact O-N 3.15Å; V511-R513 VanDerWaalsContact C-N 3.27Å; V511-R513 PolarHBondContact O-N 3.41Å; R513-K516 WeakPolarHBondContact O-CB 3.38Å; R513-K516 PolarHBondContact O-N 3.02Å; R513-S517 PolarHBondContact O-N 2.98Å; R513-S517 VanDerWaalsContact O-N 3.12Å; R513-S517 PolarHBondContact O-OG 3.45Å
514	A	59.1	Low	55	Low	4 Å²	4	68.1 Å²	68.1	3%	0.033	34%	0.335	C	S	.	.	H	α-helix	trans	-71.9	-37.9	176.2	0	0	0	0	0	111.9	L491 H494 H510 V511 K516 S517 F518	L491-A514 HydrophobicContact CD2-CB 3.5Å; L491-A514 VanDerWaalsContact CD2-CB 3.5Å; H494-A514 HydrophobicContact CB-CB 4.19Å; H510-A514 PolarHBondContact O-N 2.84Å; V511-A514 PolarHBondContact O-N 3.33Å; A514-K516 VanDerWaalsContact C-N 3.27Å; A514-K516 PolarHBondContact O-N 3.32Å; A514-S517 WeakPolarHBondContact CA-OG 3.26Å; A514-S517 PolarHBondContact O-N 3.33Å; A514-S517 PolarHBondContact O-OG 3.49Å; A514-F518 WeakPolarHBondContact O-CB 3.15Å; A514-F518 PolarHBondContact O-N 3.08Å
515	L	62.2	Low	54.9	Low	12 Å²	12	70.8 Å²	70.8	6%	0.063	33%	0.334	C	S	.	.	H	α-helix	trans	-59.3	-40	170.6	-168.5	86.7	0	0	0	111.3	L441 L477 L487 V511 F518 L519	L441-L515 HydrophobicContact CD1-CD1 4.3Å; L477-L515 HydrophobicContact CD1-CD2 3.92Å; L487-L515 HydrophobicContact CD1-CD1 4.1Å; L487-L515 HydrophobicContact CD2-CD1 4.05Å; V511-L515 WeakPolarHBondContact O-CB 3.44Å; V511-L515 PolarHBondContact O-N 2.87Å; L515-F518 PolarHBondContact O-N 3.41Å; L515-L519 HydrophobicContact CD2-CD1 4.49Å; L515-L519 HydrophobicContact CG-CD1 4.26Å; L515-L519 WeakPolarHBondContact O-CG 3.33Å; L515-L519 PolarHBondContact O-N 3.31Å
516	K	56.6	Low	54.2	Low	79 Å²	79	72.3 Å²	72.3	34%	0.343	34%	0.34	S	S	.	.	H	α-helix	trans	-63.2	-47.2	176	-176.1	-173.7	175.5	-169.3	0	112.2	L512 R513 A514 F518 L519 E520 M582	L512-K516 WeakPolarHBondContact O-CB 3.41Å; L512-K516 PolarHBondContact O-N 3.44Å; L512-K516 VanDerWaalsContact O-N 3.12Å; R513-K516 WeakPolarHBondContact O-CB 3.38Å; R513-K516 PolarHBondContact O-N 3.02Å; A514-K516 VanDerWaalsContact C-N 3.27Å; A514-K516 PolarHBondContact O-N 3.32Å; K516-F518 VanDerWaalsContact C-N 3.31Å; K516-F518 PolarHBondContact O-N 3.43Å; K516-L519 PolarHBondContact O-N 3.27Å; K516-E520 WeakPolarHBondContact CE-OE1 3.25Å; K516-E520 IonicContact NZ-OE1 2.88Å; K516-E520 WeakPolarHBondContact O-CG 3.35Å; K516-E520 PolarHBondContact O-N 3.42Å; K516-M582 HydrophobicContact CD-CE 4.2Å; K516-M582 HydrophobicContact CD-CG 4.37Å; K516-M582 HydrophobicContact CD-SD 3.71Å; K516-M582 HydrophobicContact CG-SD 3.98Å
517	S	58.3	Low	53.3	Low	28 Å²	28	76.7 Å²	76.7	20%	0.196	36%	0.362	C	S	.	.	H	α-helix	trans	-66.4	-34.8	179.6	53.6	0	0	0	0	112.1	F490 H494 R513 A514 Q521	F490-S517 WeakPolarHBondContact CE1-OG 3.16Å; H494-S517 PolarHBondContact NE2-OG 3.43Å; R513-S517 PolarHBondContact O-N 2.98Å; R513-S517 VanDerWaalsContact O-N 3.12Å; R513-S517 PolarHBondContact O-OG 3.45Å; A514-S517 WeakPolarHBondContact CA-OG 3.26Å; A514-S517 PolarHBondContact O-N 3.33Å; A514-S517 PolarHBondContact O-OG 3.49Å; S517-Q521 PolarHBondContact O-N 2.81Å
518	F	61.3	Low	52.3	Low	14 Å²	14	80.2 Å²	80.2	6%	0.061	38%	0.376	C	S	.	.	H	α-helix	trans	-64	-47.5	174.1	-176.8	-98.3	0	0	0	112.6	I479 L487 F490 A514 L515 K516 E520 Q521 Q522	I479-F518 HydrophobicContact CD1-CE1 4.47Å; L487-F518 HydrophobicContact CB-CD1 4.4Å; L487-F518 HydrophobicContact CB-CE1 3.88Å; L487-F518 HydrophobicContact CB-CE2 4.26Å; L487-F518 HydrophobicContact CB-CZ 3.79Å; L487-F518 HydrophobicContact CD1-CB 3.97Å; L487-F518 HydrophobicContact CD1-CD1 3.44Å; L487-F518 VanDerWaalsContact CD1-CD1 3.44Å; L487-F518 HydrophobicContact CD1-CD2 4.07Å; L487-F518 HydrophobicContact CD1-CE1 3.83Å; L487-F518 HydrophobicContact CD1-CE2 4.4Å; L487-F518 HydrophobicContact CD1-CG 3.54Å; L487-F518 HydrophobicContact CD1-CZ 4.28Å; L487-F518 HydrophobicContact CG-CD1 4.41Å; L487-F518 HydrophobicContact CG-CE1 4.35Å; F490-F518 HydrophobicContact CB-CD2 3.72Å; F490-F518 HydrophobicContact CB-CE2 4.07Å; F490-F518 HydrophobicContact CD1-CB 3.75Å; F490-F518 AromaticContact CD1-CD2 3.76Å; F490-F518 HydrophobicContact CD1-CD2 3.76Å; F490-F518 HydrophobicContact CD1-CG 4.2Å; F490-F518 HydrophobicContact CD2-CD2 4.14Å; F490-F518 HydrophobicContact CE1-CB 3.79Å; F490-F518 HydrophobicContact CE1-CD2 4.38Å; F490-F518 HydrophobicContact CG-CB 4.46Å; F490-F518 AromaticContact CG-CD2 3.61Å; F490-F518 HydrophobicContact CG-CD2 3.61Å; F490-F518 HydrophobicContact CG-CE2 4.37Å; F490-F518 HydrophobicContact CG-CG 4.48Å; A514-F518 WeakPolarHBondContact O-CB 3.15Å; A514-F518 PolarHBondContact O-N 3.08Å; L515-F518 PolarHBondContact O-N 3.41Å; K516-F518 VanDerWaalsContact C-N 3.31Å; K516-F518 PolarHBondContact O-N 3.43Å; F518-E520 VanDerWaalsContact C-N 3.34Å; F518-E520 PolarHBondContact O-N 3.08Å; F518-Q521 PolarHBondContact O-N 2.95Å; F518-Q521 VanDerWaalsContact O-N 3.17Å; F518-Q522 HydrophobicContact CE1-CG 3.98Å; F518-Q522 HydrophobicContact CZ-CG 4.07Å; F518-Q522 PolarHBondContact O-N 3.08Å
519	L	58.5	Low	51.5	Low	50 Å²	50	84 Å²	84	26%	0.262	40%	0.399	S	S	.	.	H	α-helix	trans	-65.6	-36.3	178.4	-74.4	169.5	0	0	0	112.3	L477 I479 L515 K516 S523	L477-L519 HydrophobicContact CD2-CD1 4.32Å; I479-L519 HydrophobicContact CD1-CD2 3.83Å; I479-L519 HydrophobicContact CG1-CD2 3.89Å; L515-L519 HydrophobicContact CD2-CD1 4.49Å; L515-L519 HydrophobicContact CG-CD1 4.26Å; L515-L519 WeakPolarHBondContact O-CG 3.33Å; L515-L519 PolarHBondContact O-N 3.31Å; K516-L519 PolarHBondContact O-N 3.27Å; L519-S523 WeakPolarHBondContact O-CB 3.24Å; L519-S523 PolarHBondContact O-N 3.12Å; L519-S523 PolarHBondContact O-OG 3.23Å
520	E	55.5	Low	50.9	Low	82 Å²	82	86.2 Å²	86.2	38%	0.383	40%	0.4	S	S	.	.	H	α-helix	trans	-63.7	-39.7	171.7	-76.2	176.6	177.1	0	0	111.6	K516 F518 S523 F524	K516-E520 WeakPolarHBondContact CE-OE1 3.25Å; K516-E520 IonicContact NZ-OE1 2.88Å; K516-E520 WeakPolarHBondContact O-CG 3.35Å; K516-E520 PolarHBondContact O-N 3.42Å; F518-E520 VanDerWaalsContact C-N 3.34Å; F518-E520 PolarHBondContact O-N 3.08Å; E520-S523 WeakPolarHBondContact CA-OG 3.12Å; E520-S523 PolarHBondContact O-OG 2.96Å; E520-F524 WeakPolarHBondContact O-CB 3.45Å; E520-F524 WeakPolarHBondContact O-CD2 3.45Å; E520-F524 PolarHBondContact O-N 3.31Å
521	Q	55.1	Low	50	Low	120 Å²	120	90.9 Å²	90.9	56%	0.561	42%	0.419	S	S	*	.	H	α-helix	trans	-71.1	-42.1	176.1	-82	-173.7	-8.2	0	0	113.4	F490 S517 F518 F524 R525	F490-Q521 VanDerWaalsContact CE2-OE1 3.28Å; S517-Q521 PolarHBondContact O-N 2.81Å; F518-Q521 PolarHBondContact O-N 2.95Å; F518-Q521 VanDerWaalsContact O-N 3.17Å; Q521-F524 PolarHBondContact O-N 2.99Å; Q521-R525 WeakPolarHBondContact O-CB 3.24Å; Q521-R525 PolarHBondContact O-N 3.15Å
522	Q	54	Low	48.9	Very low	50 Å²	50	102.5 Å²	102.5	23%	0.234	46%	0.462	C	S	.	.	H	α-helix	trans	-63.8	-44.3	177.1	-93.9	-143.3	-19	0	0	111.9	D483 F518 F524 R525 E526	D483-Q522 PolarHBondContact OD2-NE2 3.21Å; F518-Q522 HydrophobicContact CE1-CG 3.98Å; F518-Q522 HydrophobicContact CZ-CG 4.07Å; F518-Q522 PolarHBondContact O-N 3.08Å; Q522-F524 VanDerWaalsContact C-N 3.32Å; Q522-F524 PolarHBondContact O-N 3.31Å; Q522-R525 PolarHBondContact O-N 3.46Å; Q522-R525 VanDerWaalsContact O-N 3.15Å; Q522-E526 PolarHBondContact O-N 3.45Å
523	S	47.8	Very low	47.8	Very low	58 Å²	58	103.7 Å²	103.7	41%	0.406	48%	0.475	S	S	.	.	H	α-helix	trans	-62.4	-38.5	177.1	56.7	0	0	0	0	112.4	L519 E520 L527	L519-S523 WeakPolarHBondContact O-CB 3.24Å; L519-S523 PolarHBondContact O-N 3.12Å; L519-S523 PolarHBondContact O-OG 3.23Å; E520-S523 WeakPolarHBondContact CA-OG 3.12Å; E520-S523 PolarHBondContact O-OG 2.96Å; S523-L527 WeakPolarHBondContact O-CD1 3.46Å; S523-L527 VanDerWaalsContact O-CG 3.27Å; S523-L527 WeakPolarHBondContact O-CG 3.48Å; S523-L527 PolarHBondContact O-N 2.88Å
524	F	40.3	Very low	46.9	Very low	150 Å²	150	99.9 Å²	99.9	66%	0.658	49%	0.488	S	S	*	.	H	α-helix	trans	-66.5	-37.2	172.8	-102.9	-90.3	0	0	0	113.4	E520 Q521 Q522	E520-F524 WeakPolarHBondContact O-CB 3.45Å; E520-F524 WeakPolarHBondContact O-CD2 3.45Å; E520-F524 PolarHBondContact O-N 3.31Å; Q521-F524 PolarHBondContact O-N 2.99Å; Q522-F524 VanDerWaalsContact C-N 3.32Å; Q522-F524 PolarHBondContact O-N 3.31Å
525	R	41.6	Very low	45.9	Very low	196 Å²	196	104.6 Å²	104.6	74%	0.74	52%	0.52	S	S	*	.	H	α-helix	trans	-73	-39.5	-178.8	-155.1	178.1	-172.3	-147.7	2.7	112	Q521 Q522 F528 V529	Q521-R525 WeakPolarHBondContact O-CB 3.24Å; Q521-R525 PolarHBondContact O-N 3.15Å; Q522-R525 PolarHBondContact O-N 3.46Å; Q522-R525 VanDerWaalsContact O-N 3.15Å; R525-F528 PolarHBondContact O-N 2.59Å; R525-V529 PolarHBondContact O-N 3.07Å
526	E	40.8	Very low	44.6	Very low	110 Å²	110	110.2 Å²	110.2	51%	0.514	55%	0.55	S	S	.	.	H	α-helix	trans	-67.3	-33.6	174.8	-75.5	-143.3	127.6	0	0	112.9	Q522 F528 R530	Q522-E526 PolarHBondContact O-N 3.45Å; E526-F528 PolarHBondContact O-N 3.1Å; E526-R530 WeakPolarHBondContact O-CB 3.46Å; E526-R530 IonicContact OE1-NH1 3.1Å; E526-R530 PolarHBondContact OE1-NH1 3.03Å; E526-R530 IonicContact OE2-NH1 3.44Å
527	L	36.8	Very low	43.8	Very low	109 Å²	109	108.1 Å²	108.1	57%	0.571	55%	0.547	S	S	*	.	H	α-helix	trans	-62.3	-28.4	175.4	-82.1	165.7	0	0	0	113.2	S523	S523-L527 WeakPolarHBondContact O-CD1 3.46Å; S523-L527 VanDerWaalsContact O-CG 3.27Å; S523-L527 WeakPolarHBondContact O-CG 3.48Å; S523-L527 PolarHBondContact O-N 2.88Å
528	F	32.4	Very low	42.8	Very low	186 Å²	186	109.9 Å²	109.9	82%	0.816	56%	0.563	S	S	*	*	H	α-helix	trans	-85.8	-37.1	-176.1	-123.8	-91.8	0	0	0	113.4	R525 E526	R525-F528 PolarHBondContact O-N 2.59Å; E526-F528 PolarHBondContact O-N 3.1Å
529	V	34.5	Very low	41.7	Very low	123 Å²	123	111.5 Å²	111.5	75%	0.745	58%	0.58	S	S	*	*	H	α-helix	trans	-76.5	-23.9	-177	178.1	0	0	0	0	112.3	R525	R525-V529 PolarHBondContact O-N 3.07Å
530	R	40.7	Very low	41	Very low	144 Å²	144	115.2 Å²	115.2	54%	0.543	59%	0.593	S	S	.	*	T	Hydrogen-bonded Turn	trans	-106.5	17.3	-160.9	-122.8	168.3	-171.4	140.7	3.5	116.8	E526 R532	E526-R530 WeakPolarHBondContact O-CB 3.46Å; E526-R530 IonicContact OE1-NH1 3.1Å; E526-R530 PolarHBondContact OE1-NH1 3.03Å; E526-R530 IonicContact OE2-NH1 3.44Å; R530-R532 PolarHBondContact O-N 3.22Å
531	K	38	Very low	40.3	Very low	169 Å²	169	115.3 Å²	115.3	74%	0.735	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.3	10.3	176.2	-140.1	177.6	-173.5	179.9	0	114.8
532	R	36.8	Very low	39.8	Very low	249 Å²	249	113 Å²	113	94%	0.94	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.4	-12.2	-169.7	-108.3	178.5	178.6	162.2	-1.2	116.7	R530	R530-R532 PolarHBondContact O-N 3.22Å
533	S	35	Very low	39.5	Very low	79 Å²	79	114.6 Å²	114.6	55%	0.552	60%	0.599	S	S	*	*			trans	-135.9	93.8	-178.2	52.7	0	0	0	0	113.3	S535	S533-S535 PolarHBondContact O-N 3.49Å
534	G	39	Very low	39.6	Very low	86 Å²	86	116.4 Å²	116.4	89%	0.887	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.1	20.2	-161.2	0	0	0	0	0	119.3
535	S	37.9	Very low	39.9	Very low	103 Å²	103	112.6 Å²	112.6	72%	0.72	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132.1	-40.8	-177.4	-168.3	0	0	0	0	115.8	S533 A537	S533-S535 PolarHBondContact O-N 3.49Å; S535-A537 VanDerWaalsContact C-N 3.28Å; S535-A537 PolarHBondContact O-N 3.3Å
536	L	34.8	Very low	40.4	Very low	129 Å²	129	109.5 Å²	109.5	68%	0.675	58%	0.579	S	S	*	*	H	α-helix	trans	-75.2	-21.8	178.7	-167.8	65.1	0	0	0	112.2	K540	L536-K540 PolarHBondContact O-N 3.06Å
537	A	40.8	Very low	41	Very low	35 Å²	35	108 Å²	108	29%	0.289	58%	0.577	S	S	.	*	H	α-helix	trans	-76.9	-32.1	-176.9	0	0	0	0	0	113.6	S535 A539 K540 M541	S535-A537 VanDerWaalsContact C-N 3.28Å; S535-A537 PolarHBondContact O-N 3.3Å; A537-A539 VanDerWaalsContact C-N 3.32Å; A537-A539 PolarHBondContact O-N 2.81Å; A537-K540 PolarHBondContact O-N 3.38Å; A537-M541 WeakPolarHBondContact O-CB 3.47Å; A537-M541 PolarHBondContact O-N 3.07Å
538	A	37.1	Very low	41.6	Very low	65 Å²	65	105.5 Å²	105.5	54%	0.537	56%	0.564	S	S	.	*	H	α-helix	trans	-64.6	-39.5	177.3	0	0	0	0	0	111.3	T542	A538-T542 WeakPolarHBondContact O-CG2 3.46Å; A538-T542 PolarHBondContact O-N 3.42Å; A538-T542 PolarHBondContact O-OG1 3.33Å
539	A	39.1	Very low	42.4	Very low	49 Å²	49	98.8 Å²	98.8	41%	0.405	54%	0.54	S	S	.	.	H	α-helix	trans	-65.8	-49.1	177.4	0	0	0	0	0	112.1	A537 M541 T542 D543	A537-A539 VanDerWaalsContact C-N 3.32Å; A537-A539 PolarHBondContact O-N 2.81Å; A539-M541 VanDerWaalsContact C-N 3.32Å; A539-M541 PolarHBondContact O-N 3.05Å; A539-T542 WeakPolarHBondContact CA-OG1 3.33Å; A539-T542 PolarHBondContact O-N 3.2Å; A539-T542 PolarHBondContact O-OG1 3.13Å; A539-D543 PolarHBondContact O-N 3.44Å
540	K	43.8	Very low	43.3	Very low	127 Å²	127	98.6 Å²	98.6	55%	0.552	53%	0.531	S	S	*	.	H	α-helix	trans	-64.5	-34.9	177.8	-69.6	-173.1	175.8	-169.8	0	112.7	L536 A537 D543 I544	L536-K540 PolarHBondContact O-N 3.06Å; A537-K540 PolarHBondContact O-N 3.38Å; K540-D543 PolarHBondContact O-N 3.24Å; K540-I544 WeakPolarHBondContact O-CG1 3.34Å; K540-I544 PolarHBondContact O-N 3.21Å
541	M	40.3	Very low	43.7	Very low	85 Å²	85	94.2 Å²	94.2	42%	0.419	52%	0.517	S	S	.	.	H	α-helix	trans	-75.5	-33.2	178.7	-159.2	175	-66.8	0	0	112.2	A537 A539 D543 F545 W590	A537-M541 WeakPolarHBondContact O-CB 3.47Å; A537-M541 PolarHBondContact O-N 3.07Å; A539-M541 VanDerWaalsContact C-N 3.32Å; A539-M541 PolarHBondContact O-N 3.05Å; M541-D543 VanDerWaalsContact C-N 3.29Å; M541-F545 WeakPolarHBondContact O-CB 3.43Å; M541-F545 PolarHBondContact O-N 3.45Å; M541-W590 HydrophobicContact CG-CZ2 4.1Å; M541-W590 HydrophobicContact SD-CZ2 3.93Å
542	T	44.5	Very low	44.4	Very low	72 Å²	72	87.1 Å²	87.1	44%	0.442	49%	0.487	S	S	.	.	H	α-helix	trans	-67.1	-30.7	167.3	44.8	0	0	0	0	112.7	A538 A539 K546	A538-T542 WeakPolarHBondContact O-CG2 3.46Å; A538-T542 PolarHBondContact O-N 3.42Å; A538-T542 PolarHBondContact O-OG1 3.33Å; A539-T542 WeakPolarHBondContact CA-OG1 3.33Å; A539-T542 PolarHBondContact O-N 3.2Å; A539-T542 PolarHBondContact O-OG1 3.13Å; T542-K546 WeakPolarHBondContact O-CB 3.35Å; T542-K546 WeakPolarHBondContact O-CG 3.25Å; T542-K546 PolarHBondContact O-N 3.08Å
543	D	47.9	Very low	45	Very low	82 Å²	82	80 Å²	80	44%	0.439	47%	0.468	S	S	.	.	H	α-helix	trans	-73.4	-40.4	175.9	-70.6	-21.6	0	0	0	111.5	A539 K540 M541 F545 K546 T547	A539-D543 PolarHBondContact O-N 3.44Å; K540-D543 PolarHBondContact O-N 3.24Å; M541-D543 VanDerWaalsContact C-N 3.29Å; D543-F545 VanDerWaalsContact C-N 3.32Å; D543-F545 PolarHBondContact O-N 3.02Å; D543-K546 PolarHBondContact O-N 3.23Å; D543-K546 IonicContact OD1-NZ 3.47Å; D543-T547 WeakPolarHBondContact O-CG2 3.42Å; D543-T547 PolarHBondContact O-N 3.31Å; D543-T547 PolarHBondContact O-OG1 3.12Å
544	I	50.2	Low	46	Very low	97 Å²	97	80.2 Å²	80.2	50%	0.497	46%	0.462	S	S	.	.	H	α-helix	trans	-61.7	-39.7	171.6	-66.1	163.7	0	0	0	111.3	K540 T547 L548	K540-I544 WeakPolarHBondContact O-CG1 3.34Å; K540-I544 PolarHBondContact O-N 3.21Å; I544-T547 WeakPolarHBondContact CA-OG1 3.36Å; I544-T547 PolarHBondContact O-N 3.3Å; I544-T547 PolarHBondContact O-OG1 3.49Å; I544-L548 HydrophobicContact CG2-CD1 3.96Å; I544-L548 HydrophobicContact CG2-CG 4.48Å; I544-L548 WeakPolarHBondContact O-CB 3.33Å; I544-L548 VanDerWaalsContact O-CG 3.27Å; I544-L548 WeakPolarHBondContact O-CG 3.28Å; I544-L548 PolarHBondContact O-N 3.38Å
545	F	46.8	Very low	46.7	Very low	70 Å²	70	77.3 Å²	77.3	31%	0.307	43%	0.432	S	S	.	.	H	α-helix	trans	-66.7	-40.2	175.4	-168.9	-91.8	0	0	0	112	M541 D543 S549 I587 W590	M541-F545 WeakPolarHBondContact O-CB 3.43Å; M541-F545 PolarHBondContact O-N 3.45Å; D543-F545 VanDerWaalsContact C-N 3.32Å; D543-F545 PolarHBondContact O-N 3.02Å; F545-S549 WeakPolarHBondContact O-CB 3.1Å; F545-S549 PolarHBondContact O-N 3.16Å; F545-I587 HydrophobicContact CE2-CG2 3.87Å; F545-I587 HydrophobicContact CZ-CG2 3.93Å; F545-W590 AromaticContact CD2-CE3 3.8Å; F545-W590 HydrophobicContact CD2-CE3 3.8Å; F545-W590 HydrophobicContact CD2-CH2 4.37Å; F545-W590 AromaticContact CD2-CZ3 3.58Å; F545-W590 HydrophobicContact CD2-CZ3 3.58Å; F545-W590 AromaticContact CE2-CE3 3.77Å; F545-W590 HydrophobicContact CE2-CE3 3.77Å; F545-W590 AromaticContact CE2-CZ3 3.76Å; F545-W590 HydrophobicContact CE2-CZ3 3.76Å; F545-W590 HydrophobicContact CG-CZ3 4.38Å
546	K	52	Low	47.4	Very low	130 Å²	130	76.1 Å²	76.1	57%	0.565	42%	0.415	S	S	*	.	H	α-helix	trans	-65.2	-40.3	174.6	-76.8	169.9	-172	167.1	0	112	T542 D543 S549 H550	T542-K546 WeakPolarHBondContact O-CB 3.35Å; T542-K546 WeakPolarHBondContact O-CG 3.25Å; T542-K546 PolarHBondContact O-N 3.08Å; D543-K546 PolarHBondContact O-N 3.23Å; D543-K546 IonicContact OD1-NZ 3.47Å; K546-S549 PolarHBondContact O-N 3.28Å; K546-H550 VanDerWaalsContact O-CB 3.25Å; K546-H550 WeakPolarHBondContact O-CB 3.46Å; K546-H550 PolarHBondContact O-N 2.9Å
547	T	52	Low	48.2	Very low	80 Å²	80	73.1 Å²	73.1	49%	0.491	41%	0.405	S	S	.	.	H	α-helix	trans	-68.4	-41.9	177.6	53.2	0	0	0	0	111.6	D543 I544 S549 H550 M551	D543-T547 WeakPolarHBondContact O-CG2 3.42Å; D543-T547 PolarHBondContact O-N 3.31Å; D543-T547 PolarHBondContact O-OG1 3.12Å; I544-T547 WeakPolarHBondContact CA-OG1 3.36Å; I544-T547 PolarHBondContact O-N 3.3Å; I544-T547 PolarHBondContact O-OG1 3.49Å; T547-S549 PolarHBondContact O-N 3.24Å; T547-H550 PolarHBondContact O-N 3.02Å; T547-M551 WeakPolarHBondContact O-CG 3.37Å; T547-M551 PolarHBondContact O-N 2.93Å
548	L	49.8	Very low	48.8	Very low	56 Å²	56	74.3 Å²	74.3	29%	0.293	40%	0.404	S	S	.	.	H	α-helix	trans	-63.6	-39.4	174.6	-71.8	169.4	0	0	0	112.4	I544 M551 L552 L583	I544-L548 HydrophobicContact CG2-CD1 3.96Å; I544-L548 HydrophobicContact CG2-CG 4.48Å; I544-L548 WeakPolarHBondContact O-CB 3.33Å; I544-L548 VanDerWaalsContact O-CG 3.27Å; I544-L548 WeakPolarHBondContact O-CG 3.28Å; I544-L548 PolarHBondContact O-N 3.38Å; L548-M551 HydrophobicContact CD2-CE 3.81Å; L548-M551 PolarHBondContact O-N 3.42Å; L548-L552 PolarHBondContact O-N 3.44Å; L548-L552 VanDerWaalsContact O-N 3.1Å; L548-L583 HydrophobicContact CD2-CD2 3.98Å
549	S	50.1	Low	49.7	Very low	44 Å²	44	72.3 Å²	72.3	31%	0.308	38%	0.384	S	S	.	.	H	α-helix	trans	-67.1	-41.2	174.6	-162.3	0	0	0	0	111.8	F545 K546 T547 M551 L552 D553	F545-S549 WeakPolarHBondContact O-CB 3.1Å; F545-S549 PolarHBondContact O-N 3.16Å; K546-S549 PolarHBondContact O-N 3.28Å; T547-S549 PolarHBondContact O-N 3.24Å; S549-M551 VanDerWaalsContact C-N 3.33Å; S549-M551 PolarHBondContact O-N 3.32Å; S549-L552 WeakPolarHBondContact O-CB 3.44Å; S549-L552 PolarHBondContact O-N 3.2Å; S549-D553 PolarHBondContact O-N 2.91Å
550	H	52.4	Low	50.2	Low	120 Å²	120	75 Å²	75	56%	0.556	39%	0.391	S	S	*	.	H	α-helix	trans	-64.8	-36.5	176.2	-171.1	-87.8	0	0	0	111.9	K546 T547 D553 L554	K546-H550 VanDerWaalsContact O-CB 3.25Å; K546-H550 WeakPolarHBondContact O-CB 3.46Å; K546-H550 PolarHBondContact O-N 2.9Å; T547-H550 PolarHBondContact O-N 3.02Å; H550-D553 PolarHBondContact O-N 2.89Å; H550-L554 WeakPolarHBondContact O-CB 3.34Å; H550-L554 PolarHBondContact O-N 3.14Å
551	M	49.4	Very low	50.4	Low	51 Å²	51	72.8 Å²	72.8	25%	0.251	39%	0.391	S	S	.	.	H	α-helix	trans	-67.4	-35.6	173.9	-74.2	-157.8	-69	0	0	112.9	T476 T547 L548 S549 G555	T476-M551 WeakPolarHBondContact O-CE 3.24Å; T547-M551 WeakPolarHBondContact O-CG 3.37Å; T547-M551 PolarHBondContact O-N 2.93Å; L548-M551 HydrophobicContact CD2-CE 3.81Å; L548-M551 PolarHBondContact O-N 3.42Å; S549-M551 VanDerWaalsContact C-N 3.33Å; S549-M551 PolarHBondContact O-N 3.32Å; M551-G555 PolarHBondContact O-N 3.44Å
552	L	53.5	Low	50.7	Low	20 Å²	20	73.9 Å²	73.9	11%	0.105	40%	0.398	C	S	.	.	H	α-helix	trans	-61.5	-48.7	172.6	-158.8	88.3	0	0	0	110.5	L548 S549 L554 G555 Q556 I580 L583	L548-L552 PolarHBondContact O-N 3.44Å; L548-L552 VanDerWaalsContact O-N 3.1Å; S549-L552 WeakPolarHBondContact O-CB 3.44Å; S549-L552 PolarHBondContact O-N 3.2Å; L552-L554 PolarHBondContact O-N 3.47Å; L552-G555 PolarHBondContact O-N 3.13Å; L552-Q556 PolarHBondContact O-N 3.41Å; L552-Q556 PolarHBondContact O-OE1 3.07Å; L552-Q556 VanDerWaalsContact O-OE1 3.06Å; L552-I580 HydrophobicContact CD1-CG2 4.09Å; L552-L583 HydrophobicContact CD1-CB 3.51Å; L552-L583 HydrophobicContact CD1-CD1 4.21Å
553	D	49.1	Very low	50.8	Low	100 Å²	100	74.7 Å²	74.7	54%	0.535	40%	0.402	S	S	.	.	H	α-helix	trans	-64.3	-40.5	179.6	-69.9	-28	0	0	0	112.4	S549 H550 S557	S549-D553 PolarHBondContact O-N 2.91Å; H550-D553 PolarHBondContact O-N 2.89Å; D553-S557 WeakPolarHBondContact O-CB 3.31Å; D553-S557 PolarHBondContact O-N 2.97Å
554	L	54.5	Low	50.7	Low	84 Å²	84	79 Å²	79	44%	0.44	42%	0.42	S	S	.	.	H	α-helix	trans	-64	-41.8	175.2	-134	87.2	0	0	0	111.5	H550 L552 S557 K558	H550-L554 WeakPolarHBondContact O-CB 3.34Å; H550-L554 PolarHBondContact O-N 3.14Å; L552-L554 PolarHBondContact O-N 3.47Å; L554-S557 PolarHBondContact O-N 3.01Å; L554-K558 WeakPolarHBondContact O-CB 3.49Å; L554-K558 PolarHBondContact O-N 2.87Å
555	G	54.1	Low	50.3	Low	24 Å²	24	82.3 Å²	82.3	25%	0.247	43%	0.433	C	S	.	.	H	α-helix	trans	-63.9	-47	176.7	0	0	0	0	0	112.5	M551 L552 S557 K558 I559	M551-G555 PolarHBondContact O-N 3.44Å; L552-G555 PolarHBondContact O-N 3.13Å; G555-S557 PolarHBondContact O-N 2.98Å; G555-K558 PolarHBondContact O-N 3.11Å; G555-I559 PolarHBondContact O-N 3.3Å; G555-I559 VanDerWaalsContact O-N 3.15Å
556	Q	52.2	Low	49.8	Very low	79 Å²	79	83.9 Å²	83.9	37%	0.369	45%	0.453	S	S	.	.	H	α-helix	trans	-60.3	-43.8	174.2	-116.5	96.2	-0.9	0	0	111.7	L552 K558 I559 N560	L552-Q556 PolarHBondContact O-N 3.41Å; L552-Q556 PolarHBondContact O-OE1 3.07Å; L552-Q556 VanDerWaalsContact O-OE1 3.06Å; Q556-K558 VanDerWaalsContact C-N 3.32Å; Q556-K558 PolarHBondContact O-N 2.95Å; Q556-I559 PolarHBondContact O-N 3.28Å; Q556-N560 PolarHBondContact O-N 3.04Å; Q556-N560 VanDerWaalsContact O-N 3.08Å; Q556-N560 PolarHBondContact O-ND2 2.85Å
557	S	53.1	Low	49.8	Very low	66 Å²	66	83.9 Å²	83.9	46%	0.462	47%	0.466	S	S	.	.	H	α-helix	trans	-63.1	-38	178.8	-173	0	0	0	0	112.1	D553 L554 G555 N560 C561	D553-S557 WeakPolarHBondContact O-CB 3.31Å; D553-S557 PolarHBondContact O-N 2.97Å; L554-S557 PolarHBondContact O-N 3.01Å; G555-S557 PolarHBondContact O-N 2.98Å; S557-N560 PolarHBondContact O-N 3.45Å; S557-C561 PolarHBondContact O-N 3.4Å; S557-C561 PolarHBondContact O-SG 3.44Å
558	K	52.9	Low	48.9	Very low	60 Å²	60	87.5 Å²	87.5	26%	0.261	48%	0.482	S	S	.	.	H	α-helix	trans	-72.8	-34.5	-178.9	-151.1	159.3	179.4	-172.7	0	112.1	I449 L554 G555 Q556 L562	I449-K558 PolarHBondContact O-NZ 2.71Å; I449-K558 VanDerWaalsContact O-NZ 3.12Å; L554-K558 WeakPolarHBondContact O-CB 3.49Å; L554-K558 PolarHBondContact O-N 2.87Å; G555-K558 PolarHBondContact O-N 3.11Å; Q556-K558 VanDerWaalsContact C-N 3.32Å; Q556-K558 PolarHBondContact O-N 2.95Å; K558-L562 WeakPolarHBondContact O-CD1 3.47Å; K558-L562 WeakPolarHBondContact O-CG 3.34Å; K558-L562 PolarHBondContact O-N 3.12Å; K558-L562 VanDerWaalsContact O-N 3.12Å
559	I	55	Low	48.8	Very low	23 Å²	23	89.2 Å²	89.2	12%	0.118	50%	0.495	C	S	.	.	H	α-helix	trans	-63.1	-42.8	169.6	-67.9	176.4	0	0	0	110.7	G555 Q556 L562 V563 M576 E577 I580	G555-I559 PolarHBondContact O-N 3.3Å; G555-I559 VanDerWaalsContact O-N 3.15Å; Q556-I559 PolarHBondContact O-N 3.28Å; I559-L562 PolarHBondContact O-N 3.36Å; I559-V563 WeakPolarHBondContact O-CG2 3.34Å; I559-V563 PolarHBondContact O-N 3.06Å; I559-M576 HydrophobicContact CD1-CB 4.05Å; I559-M576 HydrophobicContact CG1-CB 4.27Å; I559-M576 HydrophobicContact CG1-SD 4.34Å; I559-E577 HydrophobicContact CD1-CG 4.26Å; I559-I580 HydrophobicContact CD1-CD1 3.42Å; I559-I580 VanDerWaalsContact CD1-CD1 3.42Å
560	N	51.5	Low	48.7	Very low	104 Å²	104	89.5 Å²	89.5	56%	0.556	51%	0.505	S	S	*	.	H	α-helix	trans	-67.3	-37.7	179.6	-70.9	-18.2	0	0	0	112.3	Q556 S557 V563	Q556-N560 PolarHBondContact O-N 3.04Å; Q556-N560 VanDerWaalsContact O-N 3.08Å; Q556-N560 PolarHBondContact O-ND2 2.85Å; S557-N560 PolarHBondContact O-N 3.45Å; N560-V563 WeakPolarHBondContact O-CB 3.41Å; N560-V563 PolarHBondContact O-N 3.41Å
561	C	46.5	Very low	48.7	Very low	81 Å²	81	87.4 Å²	87.4	55%	0.547	50%	0.502	S	S	.	.	H	α-helix	trans	-68.5	-33.5	174.6	-66.6	0	0	0	0	113.2	S557 V563 E564	S557-C561 PolarHBondContact O-N 3.4Å; S557-C561 PolarHBondContact O-SG 3.44Å; C561-V563 PolarHBondContact O-N 3.36Å; C561-E564 PolarHBondContact O-N 3.43Å
562	L	46.3	Very low	48.7	Very low	109 Å²	109	88.4 Å²	88.4	57%	0.571	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-10.8	176.8	-76.1	164.6	0	0	0	113.7	K558 I559	K558-L562 WeakPolarHBondContact O-CD1 3.47Å; K558-L562 WeakPolarHBondContact O-CG 3.34Å; K558-L562 PolarHBondContact O-N 3.12Å; K558-L562 VanDerWaalsContact O-N 3.12Å; I559-L562 PolarHBondContact O-N 3.36Å
563	V	47.7	Very low	48.5	Very low	88 Å²	88	93.6 Å²	93.6	53%	0.533	53%	0.529	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-25.5	174.6	171.4	0	0	0	0	112.1	I559 N560 C561	I559-V563 WeakPolarHBondContact O-CG2 3.34Å; I559-V563 PolarHBondContact O-N 3.06Å; N560-V563 WeakPolarHBondContact O-CB 3.41Å; N560-V563 PolarHBondContact O-N 3.41Å; C561-V563 PolarHBondContact O-N 3.36Å
564	E	46.2	Very low	48.6	Very low	173 Å²	173	96 Å²	96	81%	0.808	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-18.8	-174.2	-67.8	-168.7	159.8	0	0	114.1	C561	C561-E564 PolarHBondContact O-N 3.43Å
565	E	40.9	Very low	48.5	Very low	167 Å²	167	97.7 Å²	97.7	78%	0.78	54%	0.535	S	S	*	.	S	Bend	trans	-120.6	76	-177.6	-67.3	-169	168.1	0	0	113
566	S	36.8	Very low	48.4	Very low	103 Å²	103	98 Å²	98	72%	0.72	53%	0.53	S	S	*	.			trans	71.8	148.3	163.5	-52.6	0	0	0	0	119.7	L568	S566-L568 PolarHBondContact O-N 3.15Å
567	P	51.2	Low	48.3	Very low	129 Å²	129	98.4 Å²	98.4	84%	0.838	53%	0.532	S	S	*	.			trans	-92.5	97.1	-174.7	35.1	-28.7	0	0	0	111.6
568	L	34.6	Very low	48.1	Very low	157 Å²	157	99 Å²	99	82%	0.822	54%	0.537	S	S	*	.			trans	-133	125.1	164.1	-86.9	168.1	0	0	0	113.3	S566	S566-L568 PolarHBondContact O-N 3.15Å
569	T	45.9	Very low	48	Very low	91 Å²	91	97.9 Å²	97.9	56%	0.558	53%	0.534	S	S	*	.			trans	70.5	92.8	164.3	69.9	0	0	0	0	118.5	P571 V572	T569-P571 VanDerWaalsContact C-N 3.33Å; T569-P571 WeakPolarHBondContact O-CD 3.38Å; T569-V572 PolarHBondContact O-N 3.26Å
570	G	49.8	Very low	48	Very low	51 Å²	51	97.8 Å²	97.8	53%	0.526	53%	0.534	S	S	.	.	H	α-helix	trans	-56.1	-17.5	171.7	0	0	0	0	0	119.1	K574	G570-K574 PolarHBondContact O-N 3.27Å
571	P	50.6	Low	47.9	Very low	75 Å²	75	97.2 Å²	97.2	49%	0.487	53%	0.534	S	S	.	.	H	α-helix	trans	-68.8	-39.8	175.5	-20.7	32.9	0	0	0	113.9	T569 K574 R575	T569-P571 VanDerWaalsContact C-N 3.33Å; T569-P571 WeakPolarHBondContact O-CD 3.38Å; P571-K574 PolarHBondContact O-N 3.17Å; P571-R575 WeakPolarHBondContact O-CG 3.34Å; P571-R575 PolarHBondContact O-N 3.46Å; P571-R575 VanDerWaalsContact O-N 3.17Å
572	V	49.9	Very low	48.1	Very low	72 Å²	72	96.2 Å²	96.2	44%	0.436	52%	0.522	S	S	.	.	H	α-helix	trans	-70.1	-39.8	-175.3	179.8	0	0	0	0	111	T569 R575 M576	T569-V572 PolarHBondContact O-N 3.26Å; V572-R575 PolarHBondContact O-N 3.02Å; V572-M576 PolarHBondContact O-N 3.04Å
573	R	50.3	Low	48.3	Very low	130 Å²	130	92.4 Å²	92.4	49%	0.491	50%	0.502	S	S	.	.	H	α-helix	trans	-60.8	-46.9	175.8	-167.6	-176	-137.8	-174.4	2.2	112.3	R575 M576 E577	R573-R575 VanDerWaalsContact C-N 3.29Å; R573-R575 PolarHBondContact O-N 3.38Å; R573-M576 PolarHBondContact O-N 3.3Å; R573-E577 WeakPolarHBondContact O-CG 3.32Å; R573-E577 PolarHBondContact O-N 3.04Å
574	K	50.4	Low	48.5	Very low	150 Å²	150	93.3 Å²	93.3	65%	0.652	50%	0.5	S	S	*	.	H	α-helix	trans	-63.7	-34.4	178.2	-75.5	-175.3	176.8	-175.6	0	112.3	G570 P571 S578	G570-K574 PolarHBondContact O-N 3.27Å; P571-K574 PolarHBondContact O-N 3.17Å; K574-S578 WeakPolarHBondContact O-CB 3.4Å; K574-S578 PolarHBondContact O-N 3.48Å; K574-S578 VanDerWaalsContact O-N 3.08Å; K574-S578 PolarHBondContact O-OG 3.16Å
575	R	51.6	Low	48.4	Very low	120 Å²	120	88.6 Å²	88.6	45%	0.453	49%	0.485	S	S	.	.	H	α-helix	trans	-65.8	-47.3	174.1	-70.2	-176.5	-145.6	-166.7	6.3	111.4	E444 P571 V572 R573 S578 V579	E444-R575 IonicContact OE2-NH1 3.13Å; E444-R575 PolarHBondContact OE2-NH1 3.48Å; P571-R575 WeakPolarHBondContact O-CG 3.34Å; P571-R575 PolarHBondContact O-N 3.46Å; P571-R575 VanDerWaalsContact O-N 3.17Å; V572-R575 PolarHBondContact O-N 3.02Å; R573-R575 VanDerWaalsContact C-N 3.29Å; R573-R575 PolarHBondContact O-N 3.38Å; R575-S578 WeakPolarHBondContact O-CB 3.41Å; R575-S578 PolarHBondContact O-N 3.33Å; R575-V579 WeakPolarHBondContact O-CG2 3.45Å; R575-V579 PolarHBondContact O-N 3.43Å; R575-V579 VanDerWaalsContact O-N 3.08Å
576	M	52.5	Low	48.8	Very low	29 Å²	29	84.1 Å²	84.1	14%	0.143	47%	0.466	C	S	.	.	H	α-helix	trans	-63	-41.9	177.5	-78.2	-178.8	158.2	0	0	112.8	F447 I559 V572 R573 S578 V579 I580	F447-M576 HydrophobicContact CB-CE 4.32Å; I559-M576 HydrophobicContact CD1-CB 4.05Å; I559-M576 HydrophobicContact CG1-CB 4.27Å; I559-M576 HydrophobicContact CG1-SD 4.34Å; V572-M576 PolarHBondContact O-N 3.04Å; R573-M576 PolarHBondContact O-N 3.3Å; M576-S578 VanDerWaalsContact C-N 3.3Å; M576-S578 PolarHBondContact O-N 3.25Å; M576-V579 PolarHBondContact O-N 3.49Å; M576-I580 WeakPolarHBondContact O-CG1 3.49Å; M576-I580 PolarHBondContact O-N 2.89Å; M576-I580 VanDerWaalsContact O-N 3.08Å
577	E	50.3	Low	49.6	Very low	89 Å²	89	80.7 Å²	80.7	42%	0.416	44%	0.44	S	S	.	.	H	α-helix	trans	-61.9	-38.3	174.6	-73.3	169.8	-179.9	0	0	111.7	I559 R573 I580 V581	I559-E577 HydrophobicContact CD1-CG 4.26Å; R573-E577 WeakPolarHBondContact O-CG 3.32Å; R573-E577 PolarHBondContact O-N 3.04Å; E577-I580 PolarHBondContact O-N 2.8Å; E577-V581 VanDerWaalsContact O-CG2 3.29Å; E577-V581 WeakPolarHBondContact O-CG2 3.39Å; E577-V581 PolarHBondContact O-N 3.06Å
578	S	48.4	Very low	49.2	Very low	79 Å²	79	77 Å²	77	55%	0.552	42%	0.417	S	S	*	.	H	α-helix	trans	-67.6	-36.6	178.2	-62.7	0	0	0	0	112.6	K574 R575 M576 M582	K574-S578 WeakPolarHBondContact O-CB 3.4Å; K574-S578 PolarHBondContact O-N 3.48Å; K574-S578 VanDerWaalsContact O-N 3.08Å; K574-S578 PolarHBondContact O-OG 3.16Å; R575-S578 WeakPolarHBondContact O-CB 3.41Å; R575-S578 PolarHBondContact O-N 3.33Å; M576-S578 VanDerWaalsContact C-N 3.3Å; M576-S578 PolarHBondContact O-N 3.25Å; S578-M582 WeakPolarHBondContact O-CB 3.29Å; S578-M582 PolarHBondContact O-N 2.78Å
579	V	51.2	Low	49.7	Very low	35 Å²	35	73.1 Å²	73.1	21%	0.212	40%	0.4	C	S	.	.	H	α-helix	trans	-69.9	-39.7	176.3	174.8	0	0	0	0	111.3	F447 R575 M576 M582 L583	F447-V579 HydrophobicContact CE2-CG2 4.32Å; F447-V579 HydrophobicContact CZ-CG2 4.22Å; R575-V579 WeakPolarHBondContact O-CG2 3.45Å; R575-V579 PolarHBondContact O-N 3.43Å; R575-V579 VanDerWaalsContact O-N 3.08Å; M576-V579 PolarHBondContact O-N 3.49Å; V579-M582 WeakPolarHBondContact O-CB 3.41Å; V579-M582 PolarHBondContact O-N 3.18Å; V579-L583 HydrophobicContact CG1-CD1 4.16Å; V579-L583 WeakPolarHBondContact O-CG 3.1Å; V579-L583 PolarHBondContact O-N 2.95Å
580	I	54.8	Low	49.8	Very low	22 Å²	22	74 Å²	74	11%	0.113	39%	0.393	C	S	.	.	H	α-helix	trans	-63.5	-44.3	175.2	-69.5	171.3	0	0	0	111	L552 I559 M576 E577 M582 L583 H584	L552-I580 HydrophobicContact CD1-CG2 4.09Å; I559-I580 HydrophobicContact CD1-CD1 3.42Å; I559-I580 VanDerWaalsContact CD1-CD1 3.42Å; M576-I580 WeakPolarHBondContact O-CG1 3.49Å; M576-I580 PolarHBondContact O-N 2.89Å; M576-I580 VanDerWaalsContact O-N 3.08Å; E577-I580 PolarHBondContact O-N 2.8Å; I580-M582 PolarHBondContact O-N 3.37Å; I580-L583 PolarHBondContact O-N 2.98Å; I580-H584 WeakPolarHBondContact O-CB 3.48Å; I580-H584 PolarHBondContact O-N 3.4Å
581	V	50.3	Low	49.7	Very low	92 Å²	92	74.8 Å²	74.8	56%	0.558	39%	0.388	S	S	*	.	H	α-helix	trans	-61.3	-37.6	175.1	171.8	0	0	0	0	110.8	E577 C585	E577-V581 VanDerWaalsContact O-CG2 3.29Å; E577-V581 WeakPolarHBondContact O-CG2 3.39Å; E577-V581 PolarHBondContact O-N 3.06Å; V581-C585 WeakPolarHBondContact O-CB 3.3Å; V581-C585 PolarHBondContact O-N 3.14Å
582	M	50.5	Low	49.1	Very low	59 Å²	59	77.2 Å²	77.2	29%	0.291	39%	0.394	S	S	.	.	H	α-helix	trans	-66.2	-46	177.1	-155.6	-132.3	-56.7	0	0	112.3	K516 S578 V579 I580 C585 L586	K516-M582 HydrophobicContact CD-CE 4.2Å; K516-M582 HydrophobicContact CD-CG 4.37Å; K516-M582 HydrophobicContact CD-SD 3.71Å; K516-M582 HydrophobicContact CG-SD 3.98Å; S578-M582 WeakPolarHBondContact O-CB 3.29Å; S578-M582 PolarHBondContact O-N 2.78Å; V579-M582 WeakPolarHBondContact O-CB 3.41Å; V579-M582 PolarHBondContact O-N 3.18Å; I580-M582 PolarHBondContact O-N 3.37Å; M582-C585 WeakPolarHBondContact O-CB 3.41Å; M582-C585 PolarHBondContact O-N 3.37Å; M582-L586 WeakPolarHBondContact O-CG 3.41Å; M582-L586 PolarHBondContact O-N 2.98Å; M582-L586 HydrophobicContact SD-CD1 3.95Å
583	L	50.9	Low	48.7	Very low	29 Å²	29	76.8 Å²	76.8	15%	0.152	39%	0.392	C	S	.	.	H	α-helix	trans	-63.9	-41	176.6	-72.4	169.4	0	0	0	111.7	L548 L552 V579 I580 C585 L586 I587	L548-L583 HydrophobicContact CD2-CD2 3.98Å; L552-L583 HydrophobicContact CD1-CB 3.51Å; L552-L583 HydrophobicContact CD1-CD1 4.21Å; V579-L583 HydrophobicContact CG1-CD1 4.16Å; V579-L583 WeakPolarHBondContact O-CG 3.1Å; V579-L583 PolarHBondContact O-N 2.95Å; I580-L583 PolarHBondContact O-N 2.98Å; L583-C585 VanDerWaalsContact C-N 3.33Å; L583-C585 PolarHBondContact O-N 2.88Å; L583-L586 PolarHBondContact O-N 2.88Å; L583-I587 WeakPolarHBondContact O-CB 3.47Å; L583-I587 WeakPolarHBondContact O-CD1 3.4Å; L583-I587 VanDerWaalsContact O-CG1 3.27Å; L583-I587 WeakPolarHBondContact O-CG1 3.42Å; L583-I587 PolarHBondContact O-N 3.12Å
584	H	50.5	Low	48.4	Very low	108 Å²	108	73.7 Å²	73.7	50%	0.5	39%	0.39	S	S	.	.	H	α-helix	trans	-64.8	-38.6	175.9	-155.8	-91.7	0	0	0	111.8	I580 S588	I580-H584 WeakPolarHBondContact O-CB 3.48Å; I580-H584 PolarHBondContact O-N 3.4Å; H584-S588 VanDerWaalsContact O-CB 3.27Å; H584-S588 WeakPolarHBondContact O-CB 3.3Å; H584-S588 PolarHBondContact O-N 2.94Å; H584-S588 PolarHBondContact O-OG 2.96Å
585	C	45.8	Very low	48.2	Very low	73 Å²	73	69 Å²	69	49%	0.493	38%	0.376	S	S	.	.	H	α-helix	trans	-63.9	-45	172.4	-92.4	0	0	0	0	112.1	V581 M582 L583 I587 S588 T589	V581-C585 WeakPolarHBondContact O-CB 3.3Å; V581-C585 PolarHBondContact O-N 3.14Å; M582-C585 WeakPolarHBondContact O-CB 3.41Å; M582-C585 PolarHBondContact O-N 3.37Å; L583-C585 VanDerWaalsContact C-N 3.33Å; L583-C585 PolarHBondContact O-N 2.88Å; C585-I587 PolarHBondContact O-N 2.81Å; C585-S588 PolarHBondContact O-N 3.36Å; C585-T589 WeakPolarHBondContact O-CB 3.32Å; C585-T589 VanDerWaalsContact O-CG2 3.31Å; C585-T589 WeakPolarHBondContact O-CG2 3.28Å; C585-T589 PolarHBondContact O-N 2.94Å; C585-T589 PolarHBondContact O-OG1 3.25Å
586	L	47.6	Very low	47.6	Very low	73 Å²	73	65.9 Å²	65.9	38%	0.382	38%	0.376	S	S	.	.	H	α-helix	trans	-64.2	-39.7	179.4	-74.1	165.2	0	0	0	112.5	M582 L583 T589 W590	M582-L586 WeakPolarHBondContact O-CG 3.41Å; M582-L586 PolarHBondContact O-N 2.98Å; M582-L586 HydrophobicContact SD-CD1 3.95Å; L583-L586 PolarHBondContact O-N 2.88Å; L586-T589 WeakPolarHBondContact CA-OG1 3.48Å; L586-T589 PolarHBondContact O-OG1 2.97Å; L586-T589 VanDerWaalsContact O-OG1 3.11Å; L586-W590 WeakPolarHBondContact O-CB 3.47Å; L586-W590 PolarHBondContact O-N 3.23Å; L586-W590 VanDerWaalsContact O-N 3.07Å
587	I	53.3	Low	47.3	Very low	32 Å²	32	69.5 Å²	69.5	16%	0.164	39%	0.393	C	S	.	.	H	α-helix	trans	-66	-40.5	174.7	-68.8	165.7	0	0	0	110.8	F545 L583 C585 T591	F545-I587 HydrophobicContact CE2-CG2 3.87Å; F545-I587 HydrophobicContact CZ-CG2 3.93Å; L583-I587 WeakPolarHBondContact O-CB 3.47Å; L583-I587 WeakPolarHBondContact O-CD1 3.4Å; L583-I587 VanDerWaalsContact O-CG1 3.27Å; L583-I587 WeakPolarHBondContact O-CG1 3.42Å; L583-I587 PolarHBondContact O-N 3.12Å; C585-I587 PolarHBondContact O-N 2.81Å; I587-T591 WeakPolarHBondContact O-CG2 3.45Å; I587-T591 PolarHBondContact O-N 2.93Å; I587-T591 PolarHBondContact O-OG1 2.97Å
588	S	44.1	Very low	47.1	Very low	50 Å²	50	71.4 Å²	71.4	35%	0.35	40%	0.402	S	S	.	.	H	α-helix	trans	-72.3	-38.7	179.8	-58.9	0	0	0	0	112.6	H584 C585 T591 M592	H584-S588 VanDerWaalsContact O-CB 3.27Å; H584-S588 WeakPolarHBondContact O-CB 3.3Å; H584-S588 PolarHBondContact O-N 2.94Å; H584-S588 PolarHBondContact O-OG 2.96Å; C585-S588 PolarHBondContact O-N 3.36Å; S588-T591 PolarHBondContact O-OG1 3.39Å; S588-T591 VanDerWaalsContact O-OG1 3.04Å; S588-M592 VanDerWaalsContact O-CB 3.32Å; S588-M592 WeakPolarHBondContact O-CB 3.26Å; S588-M592 VanDerWaalsContact O-CG 3.26Å; S588-M592 WeakPolarHBondContact O-CG 3.45Å; S588-M592 PolarHBondContact O-N 3.31Å; S588-M592 VanDerWaalsContact O-N 3.1Å
589	T	45.2	Very low	46.8	Very low	76 Å²	76	71.3 Å²	71.3	47%	0.466	40%	0.395	S	S	.	.	H	α-helix	trans	-70.5	-34.7	176.7	53.9	0	0	0	0	111.4	C585 L586 T593	C585-T589 WeakPolarHBondContact O-CB 3.32Å; C585-T589 VanDerWaalsContact O-CG2 3.31Å; C585-T589 WeakPolarHBondContact O-CG2 3.28Å; C585-T589 PolarHBondContact O-N 2.94Å; C585-T589 PolarHBondContact O-OG1 3.25Å; L586-T589 WeakPolarHBondContact CA-OG1 3.48Å; L586-T589 PolarHBondContact O-OG1 2.97Å; L586-T589 VanDerWaalsContact O-OG1 3.11Å; T589-T593 VanDerWaalsContact O-CB 3.24Å; T589-T593 WeakPolarHBondContact O-CB 3.41Å; T589-T593 WeakPolarHBondContact O-CG2 3.49Å; T589-T593 PolarHBondContact O-N 3.04Å; T589-T593 PolarHBondContact O-OG1 3.1Å
590	W	48.7	Very low	46.4	Very low	109 Å²	109	72.7 Å²	72.7	41%	0.413	41%	0.406	S	S	.	.	H	α-helix	trans	-66.7	-44.8	175.7	-173.8	75.5	0	0	0	113.2	M541 F545 L586 T593 S594	M541-W590 HydrophobicContact CG-CZ2 4.1Å; M541-W590 HydrophobicContact SD-CZ2 3.93Å; F545-W590 AromaticContact CD2-CE3 3.8Å; F545-W590 HydrophobicContact CD2-CE3 3.8Å; F545-W590 HydrophobicContact CD2-CH2 4.37Å; F545-W590 AromaticContact CD2-CZ3 3.58Å; F545-W590 HydrophobicContact CD2-CZ3 3.58Å; F545-W590 AromaticContact CE2-CE3 3.77Å; F545-W590 HydrophobicContact CE2-CE3 3.77Å; F545-W590 AromaticContact CE2-CZ3 3.76Å; F545-W590 HydrophobicContact CE2-CZ3 3.76Å; F545-W590 HydrophobicContact CG-CZ3 4.38Å; L586-W590 WeakPolarHBondContact O-CB 3.47Å; L586-W590 PolarHBondContact O-N 3.23Å; L586-W590 VanDerWaalsContact O-N 3.07Å; W590-T593 WeakPolarHBondContact CA-OG1 3.28Å; W590-T593 PolarHBondContact O-N 3.21Å; W590-T593 PolarHBondContact O-OG1 3.12Å; W590-S594 WeakPolarHBondContact O-CB 3.45Å; W590-S594 PolarHBondContact O-N 3.5Å
591	T	47.1	Very low	46.1	Very low	69 Å²	69	78.5 Å²	78.5	42%	0.423	43%	0.426	S	S	.	.	H	α-helix	trans	-67	-36.9	177.6	49.3	0	0	0	0	112.5	I587 S588 S595	I587-T591 WeakPolarHBondContact O-CG2 3.45Å; I587-T591 PolarHBondContact O-N 2.93Å; I587-T591 PolarHBondContact O-OG1 2.97Å; S588-T591 PolarHBondContact O-OG1 3.39Å; S588-T591 VanDerWaalsContact O-OG1 3.04Å; T591-S595 PolarHBondContact O-OG 2.73Å; T591-S595 VanDerWaalsContact O-OG 3.07Å
592	M	36.9	Very low	46	Very low	125 Å²	125	78.5 Å²	78.5	62%	0.616	42%	0.423	S	S	*	.	H	α-helix	trans	-72.5	-41.5	174.2	-74.5	-87.2	95	0	0	112.9	S588 S595 A596	S588-M592 VanDerWaalsContact O-CB 3.32Å; S588-M592 WeakPolarHBondContact O-CB 3.26Å; S588-M592 VanDerWaalsContact O-CG 3.26Å; S588-M592 WeakPolarHBondContact O-CG 3.45Å; S588-M592 PolarHBondContact O-N 3.31Å; S588-M592 VanDerWaalsContact O-N 3.1Å; M592-S595 PolarHBondContact O-OG 2.94Å; M592-A596 WeakPolarHBondContact O-CB 3.36Å; M592-A596 PolarHBondContact O-N 3.4Å
593	T	41.3	Very low	45.7	Very low	64 Å²	64	85.7 Å²	85.7	39%	0.393	45%	0.447	S	S	.	.	H	α-helix	trans	-72	-34.5	-178.1	49.1	0	0	0	0	112.6	T589 W590 Q597	T589-T593 VanDerWaalsContact O-CB 3.24Å; T589-T593 WeakPolarHBondContact O-CB 3.41Å; T589-T593 WeakPolarHBondContact O-CG2 3.49Å; T589-T593 PolarHBondContact O-N 3.04Å; T589-T593 PolarHBondContact O-OG1 3.1Å; W590-T593 WeakPolarHBondContact CA-OG1 3.28Å; W590-T593 PolarHBondContact O-N 3.21Å; W590-T593 PolarHBondContact O-OG1 3.12Å; T593-Q597 WeakPolarHBondContact O-CB 3.45Å; T593-Q597 WeakPolarHBondContact O-CG 3.47Å; T593-Q597 PolarHBondContact O-N 2.94Å
594	S	43.9	Very low	45.3	Very low	64 Å²	64	90 Å²	90	45%	0.448	47%	0.47	S	S	.	.	H	α-helix	trans	-64.8	-48.9	176	-168.4	0	0	0	0	112	W590 E598	W590-S594 WeakPolarHBondContact O-CB 3.45Å; W590-S594 PolarHBondContact O-N 3.5Å; S594-E598 WeakPolarHBondContact O-CB 3.23Å; S594-E598 PolarHBondContact O-N 2.89Å; S594-E598 VanDerWaalsContact O-N 3.16Å
595	S	47.1	Very low	45.3	Very low	51 Å²	51	88.7 Å²	88.7	36%	0.357	48%	0.477	S	S	.	.	H	α-helix	trans	-70.9	-40	178.4	60.9	0	0	0	0	113.2	T591 M592 L599	T591-S595 PolarHBondContact O-OG 2.73Å; T591-S595 VanDerWaalsContact O-OG 3.07Å; M592-S595 PolarHBondContact O-OG 2.94Å; S595-L599 WeakPolarHBondContact O-CB 3.38Å; S595-L599 VanDerWaalsContact O-CG 3.31Å; S595-L599 WeakPolarHBondContact O-CG 3.28Å; S595-L599 PolarHBondContact O-N 3.19Å
596	A	39.7	Very low	45.5	Very low	56 Å²	56	89.8 Å²	89.8	46%	0.463	48%	0.475	S	S	.	.	H	α-helix	trans	-70.7	-38.7	178.4	0	0	0	0	0	112.1	M592 E598 S600	M592-A596 WeakPolarHBondContact O-CB 3.36Å; M592-A596 PolarHBondContact O-N 3.4Å; A596-E598 VanDerWaalsContact C-N 3.34Å; A596-S600 WeakPolarHBondContact O-CB 3.46Å; A596-S600 PolarHBondContact O-N 3.01Å
597	Q	45.7	Very low	45.8	Very low	105 Å²	105	89.2 Å²	89.2	49%	0.491	48%	0.48	S	S	.	.	H	α-helix	trans	-69.6	-32.1	176.4	-75	177	-0.9	0	0	112.3	T593 R601	T593-Q597 WeakPolarHBondContact O-CB 3.45Å; T593-Q597 WeakPolarHBondContact O-CG 3.47Å; T593-Q597 PolarHBondContact O-N 2.94Å; Q597-R601 VanDerWaalsContact O-CB 3.24Å; Q597-R601 WeakPolarHBondContact O-CB 3.49Å; Q597-R601 WeakPolarHBondContact O-CG 3.45Å; Q597-R601 PolarHBondContact O-N 2.9Å
598	E	46.3	Very low	46.4	Very low	128 Å²	128	91.3 Å²	91.3	60%	0.598	49%	0.487	S	S	*	.	H	α-helix	trans	-74.2	-39.7	178	-154.1	154.6	-141.7	0	0	111.6	S594 A596 L602	S594-E598 WeakPolarHBondContact O-CB 3.23Å; S594-E598 PolarHBondContact O-N 2.89Å; S594-E598 VanDerWaalsContact O-N 3.16Å; A596-E598 VanDerWaalsContact C-N 3.34Å; E598-L602 WeakPolarHBondContact O-CB 3.35Å; E598-L602 VanDerWaalsContact O-CG 3.26Å; E598-L602 WeakPolarHBondContact O-CG 3.15Å; E598-L602 PolarHBondContact O-N 3.4Å
599	L	41.9	Very low	47.4	Very low	78 Å²	78	94.7 Å²	94.7	41%	0.408	50%	0.5	S	S	.	.	H	α-helix	trans	-66	-40.6	170	-71	171.8	0	0	0	112.2	S595 L602 W603	S595-L599 WeakPolarHBondContact O-CB 3.38Å; S595-L599 VanDerWaalsContact O-CG 3.31Å; S595-L599 WeakPolarHBondContact O-CG 3.28Å; S595-L599 PolarHBondContact O-N 3.19Å; L599-L602 PolarHBondContact O-N 3.02Å; L599-W603 WeakPolarHBondContact O-CB 3.32Å; L599-W603 PolarHBondContact O-N 2.96Å
600	S	43.5	Very low	48.7	Very low	64 Å²	64	94.9 Å²	94.9	45%	0.448	51%	0.505	S	S	.	.	H	α-helix	trans	-67.2	-40.1	177.4	-151.3	0	0	0	0	111.3	A596 W603 L604	A596-S600 WeakPolarHBondContact O-CB 3.46Å; A596-S600 PolarHBondContact O-N 3.01Å; S600-W603 PolarHBondContact O-N 3.19Å; S600-L604 WeakPolarHBondContact O-CB 3.42Å; S600-L604 VanDerWaalsContact O-CD1 3.31Å; S600-L604 WeakPolarHBondContact O-CD1 3.36Å; S600-L604 VanDerWaalsContact O-CG 3.25Å; S600-L604 WeakPolarHBondContact O-CG 3.28Å; S600-L604 PolarHBondContact O-N 2.88Å
601	R	48.1	Very low	49.9	Very low	144 Å²	144	94.1 Å²	94.1	54%	0.543	52%	0.516	S	S	.	.	H	α-helix	trans	-66.6	-37.2	173.4	-79.4	176.3	175.4	162.8	6.5	113	Q597 A605	Q597-R601 VanDerWaalsContact O-CB 3.24Å; Q597-R601 WeakPolarHBondContact O-CB 3.49Å; Q597-R601 WeakPolarHBondContact O-CG 3.45Å; Q597-R601 PolarHBondContact O-N 2.9Å; R601-A605 WeakPolarHBondContact O-CB 3.32Å; R601-A605 PolarHBondContact O-N 2.92Å
602	L	47.5	Very low	51.2	Low	92 Å²	92	92.2 Å²	92.2	48%	0.482	51%	0.51	S	S	.	.	H	α-helix	trans	-69.3	-38.1	175.1	-75.9	168.4	0	0	0	111.7	E598 L599 H606	E598-L602 WeakPolarHBondContact O-CB 3.35Å; E598-L602 VanDerWaalsContact O-CG 3.26Å; E598-L602 WeakPolarHBondContact O-CG 3.15Å; E598-L602 PolarHBondContact O-N 3.4Å; L599-L602 PolarHBondContact O-N 3.02Å; L602-H606 PolarHBondContact O-CD2 3.48Å; L602-H606 VanDerWaalsContact O-CD2 3.28Å; L602-H606 PolarHBondContact O-N 3.45Å
603	W	43.9	Very low	53.4	Low	210 Å²	210	87.3 Å²	87.3	80%	0.795	49%	0.487	S	S	*	.	H	α-helix	trans	-66.6	-45.2	172.4	-114.1	81.3	0	0	0	112	L599 S600 H606 A607	L599-W603 WeakPolarHBondContact O-CB 3.32Å; L599-W603 PolarHBondContact O-N 2.96Å; S600-W603 PolarHBondContact O-N 3.19Å; W603-H606 CarbonylContact O-C 3.56Å; W603-H606 PolarHBondContact O-N 2.98Å; W603-A607 PolarHBondContact O-N 3.27Å
604	L	43.3	Very low	55.4	Low	120 Å²	120	91.2 Å²	91.2	63%	0.628	50%	0.5	S	S	*	.	H	α-helix	trans	-67.5	-33.6	178	-78	157.7	0	0	0	112.7	S600 H606 A607	S600-L604 WeakPolarHBondContact O-CB 3.42Å; S600-L604 VanDerWaalsContact O-CD1 3.31Å; S600-L604 WeakPolarHBondContact O-CD1 3.36Å; S600-L604 VanDerWaalsContact O-CG 3.25Å; S600-L604 WeakPolarHBondContact O-CG 3.28Å; S600-L604 PolarHBondContact O-N 2.88Å; L604-H606 PolarHBondContact O-N 3.37Å; L604-A607 PolarHBondContact O-N 3.42Å
605	A	50.5	Low	57.2	Low	80 Å²	80	90.6 Å²	90.6	66%	0.661	50%	0.499	S	S	*	.	H	α-helix	trans	-70	-19	176.1	0	0	0	0	0	113.4	R601	R601-A605 WeakPolarHBondContact O-CB 3.32Å; R601-A605 PolarHBondContact O-N 2.92Å
606	H	50.3	Low	59	Low	95 Å²	95	88.4 Å²	88.4	44%	0.44	48%	0.483	S	S	.	.	H	α-helix	trans	-108.6	-0.6	176.9	-74.5	-64.9	0	0	0	113.4	L602 W603 L604 R608	L602-H606 PolarHBondContact O-CD2 3.48Å; L602-H606 VanDerWaalsContact O-CD2 3.28Å; L602-H606 PolarHBondContact O-N 3.45Å; W603-H606 CarbonylContact O-C 3.56Å; W603-H606 PolarHBondContact O-N 2.98Å; L604-H606 PolarHBondContact O-N 3.37Å; H606-R608 PolarHBondContact O-N 3.32Å
607	A	52.7	Low	61.2	Low	61 Å²	61	89.2 Å²	89.2	50%	0.504	47%	0.474	S	S	.	.			trans	-75.5	113.7	175.7	0	0	0	0	0	109.7	W603 L604	W603-A607 PolarHBondContact O-N 3.27Å; L604-A607 PolarHBondContact O-N 3.42Å
608	R	66.5	Low	63.1	Low	77 Å²	77	88.3 Å²	88.3	29%	0.291	47%	0.473	S	S	.	.			trans	-67	139.9	173.7	172.1	179.9	169.9	164.4	-2.4	109.9	W335 H606 S610 D613	W335-R608 VanDerWaalsContact CE3-NH1 3.35Å; H606-R608 PolarHBondContact O-N 3.32Å; R608-S610 PolarHBondContact O-N 2.72Å; R608-D613 IonicContact CZ-OD1 3.63Å; R608-D613 IonicContact CZ-OD2 2.74Å; R608-D613 IonicContact NE-OD1 3.74Å; R608-D613 IonicContact NE-OD2 3.88Å; R608-D613 PolarHBondContact NE-OD2 3.19Å; R608-D613 IonicContact NH2-OD1 3.52Å; R608-D613 PolarHBondContact NH2-OD1 3.32Å; R608-D613 IonicContact NH2-OD2 3.67Å; R608-D613 PolarHBondContact NH2-OD2 3.47Å; R608-D613 VanDerWaalsContact NH2-OD2 3.1Å
609	D	65.3	Low	64.9	Low	120 Å²	120	83.5 Å²	83.5	64%	0.642	45%	0.454	S	S	*	.			trans	-75.9	109.5	165.6	-173.9	1.8	0	0	0	109.3	S611	D609-S611 VanDerWaalsContact CG-OG 3.28Å; D609-S611 VanDerWaalsContact OD1-CB 3.22Å; D609-S611 WeakPolarHBondContact OD1-CB 3.49Å; D609-S611 PolarHBondContact OD1-N 2.91Å; D609-S611 VanDerWaalsContact OD1-N 3.1Å; D609-S611 PolarHBondContact OD1-OG 2.88Å; D609-S611 PolarHBondContact OD2-OG 3.03Å
610	S	71.6	Confident	66.8	Low	80 Å²	80	80.4 Å²	80.4	56%	0.559	44%	0.437	S	S	*	.			trans	-94.1	2.9	180	64.4	0	0	0	0	113.1	R608 G612 D613	R608-S610 PolarHBondContact O-N 2.72Å; S610-G612 PolarHBondContact O-N 3.26Å; S610-D613 WeakPolarHBondContact O-CB 3.39Å; S610-D613 PolarHBondContact O-N 3.28Å
611	S	74.9	Confident	68.8	Low	93 Å²	93	80.2 Å²	80.2	65%	0.65	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-26.8	-173.8	60.8	0	0	0	0	113.7	D609	D609-S611 VanDerWaalsContact CG-OG 3.28Å; D609-S611 VanDerWaalsContact OD1-CB 3.22Å; D609-S611 WeakPolarHBondContact OD1-CB 3.49Å; D609-S611 PolarHBondContact OD1-N 2.91Å; D609-S611 VanDerWaalsContact OD1-N 3.1Å; D609-S611 PolarHBondContact OD1-OG 2.88Å; D609-S611 PolarHBondContact OD2-OG 3.03Å
612	G	74.8	Confident	70.5	Confident	29 Å²	29	79 Å²	79	30%	0.299	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-11.2	178	0	0	0	0	0	115.3	S610 Y616	S610-G612 PolarHBondContact O-N 3.26Å; G612-Y616 PolarHBondContact O-N 3.42Å
613	D	82.9	Confident	72.2	Confident	22 Å²	22	75.9 Å²	75.9	12%	0.118	43%	0.434	C	S	.	.	H	α-helix	trans	-69.7	-44.6	-169.7	-66.3	-8.5	0	0	0	111.7	W335 R608 S610 Y616 W617	W335-D613 HydrophobicContact CH2-CB 4.07Å; R608-D613 IonicContact CZ-OD1 3.63Å; R608-D613 IonicContact CZ-OD2 2.74Å; R608-D613 IonicContact NE-OD1 3.74Å; R608-D613 IonicContact NE-OD2 3.88Å; R608-D613 PolarHBondContact NE-OD2 3.19Å; R608-D613 IonicContact NH2-OD1 3.52Å; R608-D613 PolarHBondContact NH2-OD1 3.32Å; R608-D613 IonicContact NH2-OD2 3.67Å; R608-D613 PolarHBondContact NH2-OD2 3.47Å; R608-D613 VanDerWaalsContact NH2-OD2 3.1Å; S610-D613 WeakPolarHBondContact O-CB 3.39Å; S610-D613 PolarHBondContact O-N 3.28Å; D613-Y616 PolarHBondContact O-N 2.88Å; D613-W617 PolarHBondContact O-N 3.04Å
614	E	83.4	Confident	74.1	Confident	146 Å²	146	67.3 Å²	67.3	68%	0.682	40%	0.403	S	S	*	.	H	α-helix	trans	-63.1	-44.5	-179.4	-178	175	-175.8	0	0	111.8	Y616 W617 N618	E614-Y616 VanDerWaalsContact C-N 3.32Å; E614-Y616 PolarHBondContact O-N 3.24Å; E614-W617 PolarHBondContact O-N 2.9Å; E614-N618 VanDerWaalsContact O-CB 3.26Å; E614-N618 WeakPolarHBondContact O-CB 3.36Å; E614-N618 PolarHBondContact O-N 3.3Å; E614-N618 PolarHBondContact O-ND2 3.49Å
615	A	82.1	Confident	76.1	Confident	52 Å²	52	64.5 Å²	64.5	43%	0.43	39%	0.392	S	S	.	.	H	α-helix	trans	-63.3	-39.4	178.7	0	0	0	0	0	112	S619	A615-S619 WeakPolarHBondContact O-CB 3.43Å; A615-S619 PolarHBondContact O-N 3.38Å
616	Y	84.2	Confident	77.8	Confident	4 Å²	4	67 Å²	67	2%	0.016	39%	0.39	C	S	.	.	H	α-helix	trans	-65.4	-50.6	177.3	176.2	-100.3	0	0	0	112.4	E339 K343 L375 P378 G612 D613 E614 N618 S619 L620	E339-Y616 HydrophobicContact CG-CE1 4.31Å; E339-Y616 WeakPolarHBondContact CG-OH 3.45Å; E339-Y616 PolarHBondContact OE1-OH 2.94Å; K343-Y616 WeakPolarHBondContact CE-OH 3.23Å; L375-Y616 HydrophobicContact CB-CD2 4.49Å; L375-Y616 WeakPolarHBondContact O-CE2 3.41Å; P378-Y616 VanDerWaalsContact CD-CD2 3.4Å; P378-Y616 HydrophobicContact CG-CD1 4.13Å; P378-Y616 HydrophobicContact CG-CD2 4.35Å; P378-Y616 HydrophobicContact CG-CG 3.77Å; G612-Y616 PolarHBondContact O-N 3.42Å; D613-Y616 PolarHBondContact O-N 2.88Å; E614-Y616 VanDerWaalsContact C-N 3.32Å; E614-Y616 PolarHBondContact O-N 3.24Å; Y616-N618 VanDerWaalsContact C-N 3.33Å; Y616-N618 PolarHBondContact O-N 2.93Å; Y616-S619 WeakPolarHBondContact O-CB 3.22Å; Y616-S619 PolarHBondContact O-N 2.75Å; Y616-S619 VanDerWaalsContact O-N 3.17Å; Y616-L620 HydrophobicContact CE1-CD2 4.38Å; Y616-L620 PolarHBondContact O-N 2.89Å
617	W	86.1	Confident	79.5	Confident	73 Å²	73	68.1 Å²	68.1	28%	0.277	40%	0.399	S	S	.	.	H	α-helix	trans	-66.3	-35.5	179.7	-70	117.9	0	0	0	112.3	W335 I338 V342 D613 E614 S619 L620 G621	W335-W617 AromaticContact CH2-CE2 3.95Å; W335-W617 HydrophobicContact CH2-CZ2 4.09Å; W335-W617 AromaticContact CH2-NE1 3.23Å; W335-W617 AromaticContact CZ2-CZ2 3.93Å; W335-W617 HydrophobicContact CZ2-CZ2 3.93Å; W335-W617 AromaticContact CZ2-NE1 3.72Å; W335-W617 AromaticContact CZ3-NE1 3.94Å; I338-W617 HydrophobicContact CG2-CH2 3.95Å; V342-W617 HydrophobicContact CB-CZ3 4.09Å; V342-W617 HydrophobicContact CG1-CZ3 4.27Å; V342-W617 HydrophobicContact CG2-CZ3 4.01Å; D613-W617 PolarHBondContact O-N 3.04Å; E614-W617 PolarHBondContact O-N 2.9Å; W617-S619 VanDerWaalsContact C-N 3.34Å; W617-L620 HydrophobicContact CE3-CD2 3.64Å; W617-L620 HydrophobicContact CZ3-CD2 3.44Å; W617-L620 VanDerWaalsContact CZ3-CD2 3.44Å; W617-L620 PolarHBondContact O-N 2.93Å; W617-G621 PolarHBondContact O-N 3.24Å
618	N	85.5	Confident	80.9	Confident	86 Å²	86	68.2 Å²	68.2	46%	0.46	39%	0.387	S	S	.	.	H	α-helix	trans	-65.5	-36.2	173.1	-75.7	-25.3	0	0	0	112.3	E614 Y616 N622	E614-N618 VanDerWaalsContact O-CB 3.26Å; E614-N618 WeakPolarHBondContact O-CB 3.36Å; E614-N618 PolarHBondContact O-N 3.3Å; E614-N618 PolarHBondContact O-ND2 3.49Å; Y616-N618 VanDerWaalsContact C-N 3.33Å; Y616-N618 PolarHBondContact O-N 2.93Å; N618-N622 WeakPolarHBondContact O-CB 3.28Å; N618-N622 PolarHBondContact O-N 3.45Å; N618-N622 VanDerWaalsContact O-N 3.11Å; N618-N622 PolarHBondContact O-ND2 2.82Å
619	S	83.4	Confident	81.9	Confident	28 Å²	28	67.3 Å²	67.3	20%	0.196	39%	0.39	C	S	.	.	H	α-helix	trans	-64.4	-44.3	172.8	168.8	0	0	0	0	111.5	A615 Y616 W617 N622 I623	A615-S619 WeakPolarHBondContact O-CB 3.43Å; A615-S619 PolarHBondContact O-N 3.38Å; Y616-S619 WeakPolarHBondContact O-CB 3.22Å; Y616-S619 PolarHBondContact O-N 2.75Å; Y616-S619 VanDerWaalsContact O-N 3.17Å; W617-S619 VanDerWaalsContact C-N 3.34Å; S619-N622 PolarHBondContact O-N 2.89Å; S619-I623 PolarHBondContact O-N 3.12Å
620	L	82.9	Confident	83	Confident	12 Å²	12	66.5 Å²	66.5	6%	0.063	38%	0.381	C	S	.	.	H	α-helix	trans	-69.4	-34	179.3	-163.4	73.7	0	0	0	112.3	V342 A346 L374 Y616 W617 I623	V342-L620 HydrophobicContact CB-CD2 3.76Å; V342-L620 HydrophobicContact CG1-CD2 3.21Å; V342-L620 HydrophobicContact CG1-CG 3.78Å; A346-L620 HydrophobicContact CB-CD1 4.2Å; L374-L620 HydrophobicContact CD1-CD1 3.94Å; L374-L620 HydrophobicContact CD2-CB 4.26Å; L374-L620 HydrophobicContact CD2-CD1 3.47Å; L374-L620 VanDerWaalsContact CD2-CD1 3.47Å; L374-L620 HydrophobicContact CD2-CG 4.44Å; L374-L620 HydrophobicContact CG-CD1 4.36Å; Y616-L620 HydrophobicContact CE1-CD2 4.38Å; Y616-L620 PolarHBondContact O-N 2.89Å; W617-L620 HydrophobicContact CE3-CD2 3.64Å; W617-L620 HydrophobicContact CZ3-CD2 3.44Å; W617-L620 VanDerWaalsContact CZ3-CD2 3.44Å; W617-L620 PolarHBondContact O-N 2.93Å; L620-I623 HydrophobicContact CB-CD1 4.47Å; L620-I623 HydrophobicContact CD1-CD1 3.6Å; L620-I623 HydrophobicContact CG-CD1 4.08Å; L620-I623 WeakPolarHBondContact O-CD1 3.47Å; L620-I623 VanDerWaalsContact O-CG1 3.23Å; L620-I623 WeakPolarHBondContact O-CG1 3.46Å
621	G	84.3	Confident	83.8	Confident	61 Å²	61	65.4 Å²	65.4	63%	0.629	37%	0.368	S	S	*	.	H	α-helix	trans	-69.7	-31.9	174.1	0	0	0	0	0	113.5	W617	W617-G621 PolarHBondContact O-N 3.24Å
622	N	84.1	Confident	84.4	Confident	119 Å²	119	63.7 Å²	63.7	64%	0.636	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	18.4	-177.9	-66.9	-40.6	0	0	0	113.8	N618 S619 I624	N618-N622 WeakPolarHBondContact O-CB 3.28Å; N618-N622 PolarHBondContact O-N 3.45Å; N618-N622 VanDerWaalsContact O-N 3.11Å; N618-N622 PolarHBondContact O-ND2 2.82Å; S619-N622 PolarHBondContact O-N 2.89Å; N622-I624 PolarHBondContact O-N 2.92Å
623	I	83.4	Confident	85.2	Confident	26 Å²	26	66.5 Å²	66.5	13%	0.133	36%	0.356	C	S	.	.	S	Bend	trans	-57.8	-36.9	176.7	-68.8	167.3	0	0	0	111.4	A346 L350 L370 L374 S619 L620	A346-I623 HydrophobicContact CB-CD1 3.32Å; L350-I623 HydrophobicContact CD1-CG2 3.79Å; L350-I623 HydrophobicContact CD2-CG2 3.57Å; L350-I623 HydrophobicContact CG-CG2 3.64Å; L370-I623 HydrophobicContact CD1-CD1 4.29Å; L374-I623 HydrophobicContact CD2-CD1 4.24Å; L374-I623 HydrophobicContact CD2-CG1 4.41Å; S619-I623 PolarHBondContact O-N 3.12Å; L620-I623 HydrophobicContact CB-CD1 4.47Å; L620-I623 HydrophobicContact CD1-CD1 3.6Å; L620-I623 HydrophobicContact CG-CD1 4.08Å; L620-I623 WeakPolarHBondContact O-CD1 3.47Å; L620-I623 VanDerWaalsContact O-CG1 3.23Å; L620-I623 WeakPolarHBondContact O-CG1 3.46Å
624	I	83.1	Confident	85.5	Confident	29 Å²	29	67.8 Å²	67.8	15%	0.149	37%	0.366	C	S	.	.	S	Bend	trans	-103	112.5	171	-57.3	-171.8	0	0	0	107.1	A349 D353 N622 R628 V629 W632	A349-I624 HydrophobicContact CB-CD1 3.67Å; D353-I624 HydrophobicContact CB-CD1 4.46Å; N622-I624 PolarHBondContact O-N 2.92Å; I624-R628 HydrophobicContact CG2-CB 3.92Å; I624-V629 HydrophobicContact CG2-CG2 3.99Å; I624-W632 HydrophobicContact CD1-CH2 3.49Å; I624-W632 VanDerWaalsContact CD1-CH2 3.49Å; I624-W632 HydrophobicContact CD1-CZ2 4.1Å; I624-W632 HydrophobicContact CD1-CZ3 4.33Å; I624-W632 HydrophobicContact CG2-CH2 4.29Å; I624-W632 HydrophobicContact CG2-CZ2 4.34Å
625	P	85.3	Confident	85.7	Confident	62 Å²	62	62.2 Å²	62.2	40%	0.403	34%	0.342	S	S	.	.			trans	-64.5	147.7	-178.8	25.9	-33.3	0	0	0	110.5	D627 R628 V629	P625-D627 PolarHBondContact O-N 2.87Å; P625-D627 VanDerWaalsContact O-N 3.1Å; P625-R628 HydrophobicContact CG-CB 4.25Å; P625-R628 HydrophobicContact CG-CG 3.92Å; P625-R628 WeakPolarHBondContact O-CB 3.37Å; P625-R628 PolarHBondContact O-N 3.39Å; P625-V629 PolarHBondContact O-N 2.99Å
626	E	87.6	Confident	86.1	Confident	131 Å²	131	63.7 Å²	63.7	61%	0.612	34%	0.342	S	S	*	.	H	α-helix	trans	-57.3	-31.3	-176.2	-161.4	-172.8	142.3	0	0	112.8	R628 V629 K630	E626-R628 VanDerWaalsContact C-N 3.31Å; E626-R628 PolarHBondContact O-N 2.94Å; E626-V629 PolarHBondContact O-N 3.49Å; E626-K630 WeakPolarHBondContact O-CG 3.25Å; E626-K630 PolarHBondContact O-N 3.41Å; E626-K630 WeakPolarHBondContact OE1-CE 3.4Å; E626-K630 IonicContact OE1-NZ 2.72Å; E626-K630 PolarHBondContact OE1-NZ 2.96Å
627	D	84.8	Confident	86.5	Confident	120 Å²	120	71 Å²	71	64%	0.642	37%	0.37	S	S	*	.	H	α-helix	trans	-63.6	-35.1	176.5	-64.7	-25.2	0	0	0	112.5	P625 K630 L631	P625-D627 PolarHBondContact O-N 2.87Å; P625-D627 VanDerWaalsContact O-N 3.1Å; D627-K630 PolarHBondContact O-N 3.17Å; D627-L631 WeakPolarHBondContact O-CB 3.47Å; D627-L631 PolarHBondContact O-N 2.97Å
628	R	83.3	Confident	86.7	Confident	62 Å²	62	73.2 Å²	73.2	23%	0.234	39%	0.385	C	S	.	.	H	α-helix	trans	-69.1	-38.3	173.9	-78.9	-166.2	-172.9	-125.4	-8.5	111.6	D353 S357 E365 I624 P625 E626 L631 W632	D353-R628 IonicContact OD1-NH1 3.83Å; D353-R628 WeakPolarHBondContact OD2-CD 3.44Å; D353-R628 IonicContact OD2-CZ 2.92Å; D353-R628 IonicContact OD2-NE 3.75Å; D353-R628 IonicContact OD2-NH1 2.83Å; D353-R628 PolarHBondContact OD2-NH1 3.49Å; S357-R628 PolarHBondContact OG-NH1 3.41Å; E365-R628 IonicContact OE1-CZ 3.51Å; E365-R628 IonicContact OE1-NH2 3.94Å; E365-R628 PolarHBondContact OE1-NH2 3.46Å; E365-R628 IonicContact OE2-CZ 3.51Å; E365-R628 VanDerWaalsContact OE2-CZ 3.27Å; E365-R628 IonicContact OE2-NH1 2.61Å; E365-R628 PolarHBondContact OE2-NH1 2.89Å; E365-R628 IonicContact OE2-NH2 3.99Å; E365-R628 PolarHBondContact OE2-NH2 3.01Å; I624-R628 HydrophobicContact CG2-CB 3.92Å; P625-R628 HydrophobicContact CG-CB 4.25Å; P625-R628 HydrophobicContact CG-CG 3.92Å; P625-R628 WeakPolarHBondContact O-CB 3.37Å; P625-R628 PolarHBondContact O-N 3.39Å; E626-R628 VanDerWaalsContact C-N 3.31Å; E626-R628 PolarHBondContact O-N 2.94Å; R628-L631 WeakPolarHBondContact O-CB 2.93Å; R628-L631 PolarHBondContact O-N 3.28Å; R628-W632 VanDerWaalsContact O-CG 3.29Å; R628-W632 PolarHBondContact O-N 2.85Å
629	V	86.6	Confident	86.9	Confident	58 Å²	58	74 Å²	74	35%	0.352	39%	0.389	S	S	.	.	H	α-helix	trans	-63.4	-44.1	175.6	-177.5	0	0	0	0	110.8	I624 P625 E626 L631 W632 D633	I624-V629 HydrophobicContact CG2-CG2 3.99Å; P625-V629 PolarHBondContact O-N 2.99Å; E626-V629 PolarHBondContact O-N 3.49Å; V629-L631 VanDerWaalsContact C-N 3.27Å; V629-L631 PolarHBondContact O-N 3.18Å; V629-W632 WeakPolarHBondContact O-CB 3.22Å; V629-W632 PolarHBondContact O-N 3.44Å; V629-W632 VanDerWaalsContact O-N 3.12Å; V629-D633 PolarHBondContact O-N 2.85Å
630	K	89.1	Confident	87.3	Confident	104 Å²	104	79.4 Å²	79.4	45%	0.452	41%	0.408	S	S	.	.	H	α-helix	trans	-61	-36.6	175.3	-72.3	170.2	-176.4	156.2	0	112.6	E626 D627 S634	E626-K630 WeakPolarHBondContact O-CG 3.25Å; E626-K630 PolarHBondContact O-N 3.41Å; E626-K630 WeakPolarHBondContact OE1-CE 3.4Å; E626-K630 IonicContact OE1-NZ 2.72Å; E626-K630 PolarHBondContact OE1-NZ 2.96Å; D627-K630 PolarHBondContact O-N 3.17Å; K630-S634 WeakPolarHBondContact O-CB 3.27Å; K630-S634 PolarHBondContact O-N 2.86Å; K630-S634 VanDerWaalsContact O-N 3.11Å; K630-S634 PolarHBondContact O-OG 3.31Å
631	L	87.1	Confident	87.8	Confident	56 Å²	56	84.9 Å²	84.9	29%	0.293	43%	0.434	S	S	.	.	H	α-helix	trans	-65.3	-45.4	173.1	178	73.2	0	0	0	111.3	Y361 D627 R628 V629 D633 S634 T635	Y361-L631 HydrophobicContact CE2-CD2 4.09Å; Y361-L631 WeakPolarHBondContact OH-CD2 3.36Å; D627-L631 WeakPolarHBondContact O-CB 3.47Å; D627-L631 PolarHBondContact O-N 2.97Å; R628-L631 WeakPolarHBondContact O-CB 2.93Å; R628-L631 PolarHBondContact O-N 3.28Å; V629-L631 VanDerWaalsContact C-N 3.27Å; V629-L631 PolarHBondContact O-N 3.18Å; L631-D633 PolarHBondContact O-N 3.2Å; L631-S634 PolarHBondContact O-N 2.86Å; L631-T635 HydrophobicContact CD1-CG2 4.31Å; L631-T635 HydrophobicContact CG-CG2 4.44Å; L631-T635 WeakPolarHBondContact O-CB 3.46Å; L631-T635 VanDerWaalsContact O-CG2 3.31Å; L631-T635 WeakPolarHBondContact O-CG2 3.18Å; L631-T635 PolarHBondContact O-N 3.35Å; L631-T635 PolarHBondContact O-OG1 2.78Å
632	W	89.3	Confident	88.2	Confident	57 Å²	57	88.9 Å²	88.9	22%	0.216	43%	0.431	C	S	.	.	H	α-helix	trans	-59.6	-44	175.7	-65.3	-2.8	0	0	0	112.4	D353 I356 I624 R628 V629 S634 T635 L636	D353-W632 HydrophobicContact CB-CH2 4.29Å; D353-W632 HydrophobicContact CB-CZ2 3.57Å; D353-W632 WeakPolarHBondContact OD1-CZ2 2.99Å; D353-W632 PolarHBondContact OD1-NE1 2.88Å; D353-W632 VanDerWaalsContact OD1-NE1 3.11Å; I356-W632 HydrophobicContact CD1-CD2 4.16Å; I356-W632 HydrophobicContact CD1-CG 4.46Å; I356-W632 HydrophobicContact CD1-CZ2 4.19Å; I624-W632 HydrophobicContact CD1-CH2 3.49Å; I624-W632 VanDerWaalsContact CD1-CH2 3.49Å; I624-W632 HydrophobicContact CD1-CZ2 4.1Å; I624-W632 HydrophobicContact CD1-CZ3 4.33Å; I624-W632 HydrophobicContact CG2-CH2 4.29Å; I624-W632 HydrophobicContact CG2-CZ2 4.34Å; R628-W632 VanDerWaalsContact O-CG 3.29Å; R628-W632 PolarHBondContact O-N 2.85Å; V629-W632 WeakPolarHBondContact O-CB 3.22Å; V629-W632 PolarHBondContact O-N 3.44Å; V629-W632 VanDerWaalsContact O-N 3.12Å; W632-S634 VanDerWaalsContact C-N 3.29Å; W632-S634 PolarHBondContact O-N 2.97Å; W632-T635 VanDerWaalsContact CA-OG1 3.29Å; W632-T635 WeakPolarHBondContact CA-OG1 3.32Å; W632-T635 PolarHBondContact O-N 2.96Å; W632-T635 PolarHBondContact O-OG1 2.95Å; W632-L636 VanDerWaalsContact O-CB 3.24Å; W632-L636 WeakPolarHBondContact O-CB 3.19Å; W632-L636 PolarHBondContact O-N 2.95Å
633	D	90.6	Very high	88.6	Confident	89 Å²	89	89.3 Å²	89.3	48%	0.476	43%	0.429	S	S	.	.	H	α-helix	trans	-64.3	-36.6	177.8	-77.8	-26	0	0	0	112.3	V629 L631 R637	V629-D633 PolarHBondContact O-N 2.85Å; L631-D633 PolarHBondContact O-N 3.2Å; D633-R637 VanDerWaalsContact O-CG 3.3Å; D633-R637 WeakPolarHBondContact O-CG 3.34Å; D633-R637 PolarHBondContact O-N 3.29Å; D633-R637 VanDerWaalsContact O-N 3.15Å; D633-R637 PolarHBondContact O-NE 2.96Å
634	S	89.8	Confident	89.1	Confident	49 Å²	49	89.5 Å²	89.5	34%	0.343	44%	0.438	S	S	.	.	H	α-helix	trans	-71.6	-43.2	177.8	-58.7	0	0	0	0	111.4	K630 L631 W632 R637 M638	K630-S634 WeakPolarHBondContact O-CB 3.27Å; K630-S634 PolarHBondContact O-N 2.86Å; K630-S634 VanDerWaalsContact O-N 3.11Å; K630-S634 PolarHBondContact O-OG 3.31Å; L631-S634 PolarHBondContact O-N 2.86Å; W632-S634 VanDerWaalsContact C-N 3.29Å; W632-S634 PolarHBondContact O-N 2.97Å; S634-R637 PolarHBondContact O-N 3.47Å; S634-R637 PolarHBondContact OG-NH2 2.85Å; S634-M638 WeakPolarHBondContact O-CG 3.43Å; S634-M638 PolarHBondContact O-N 3.24Å
635	T	87.3	Confident	89.7	Confident	28 Å²	28	92.1 Å²	92.1	17%	0.172	45%	0.454	C	S	.	.	H	α-helix	trans	-67.3	-39.6	176.6	52.1	0	0	0	0	112.1	L360 L631 W632 R637 M638 L639	L360-T635 HydrophobicContact CD1-CG2 3.79Å; L360-T635 HydrophobicContact CD2-CG2 3.77Å; L360-T635 HydrophobicContact CG-CG2 4.46Å; L631-T635 HydrophobicContact CD1-CG2 4.31Å; L631-T635 HydrophobicContact CG-CG2 4.44Å; L631-T635 WeakPolarHBondContact O-CB 3.46Å; L631-T635 VanDerWaalsContact O-CG2 3.31Å; L631-T635 WeakPolarHBondContact O-CG2 3.18Å; L631-T635 PolarHBondContact O-N 3.35Å; L631-T635 PolarHBondContact O-OG1 2.78Å; W632-T635 VanDerWaalsContact CA-OG1 3.29Å; W632-T635 WeakPolarHBondContact CA-OG1 3.32Å; W632-T635 PolarHBondContact O-N 2.96Å; W632-T635 PolarHBondContact O-OG1 2.95Å; T635-R637 VanDerWaalsContact C-N 3.34Å; T635-R637 PolarHBondContact O-N 3.5Å; T635-M638 PolarHBondContact O-N 2.98Å; T635-L639 WeakPolarHBondContact O-CB 3.38Å; T635-L639 WeakPolarHBondContact O-CG 3.47Å; T635-L639 PolarHBondContact O-N 3.29Å
636	L	90.3	Very high	90	Very high	84 Å²	84	92.9 Å²	92.9	44%	0.44	46%	0.455	S	S	.	.	H	α-helix	trans	-60.1	-42.8	173.4	-179.4	64.4	0	0	0	111.9	W632 L639 K640	W632-L636 VanDerWaalsContact O-CB 3.24Å; W632-L636 WeakPolarHBondContact O-CB 3.19Å; W632-L636 PolarHBondContact O-N 2.95Å; L636-L639 PolarHBondContact O-N 3.45Å; L636-K640 HydrophobicContact CG-CD 4.46Å; L636-K640 WeakPolarHBondContact O-CB 3.45Å; L636-K640 WeakPolarHBondContact O-CG 3.5Å; L636-K640 PolarHBondContact O-N 2.9Å
637	R	92.3	Very high	90.3	Very high	156 Å²	156	89.2 Å²	89.2	59%	0.589	44%	0.441	S	S	*	.	H	α-helix	trans	-61.5	-45.5	175.3	-77.6	-177.6	-68.2	175.1	2	111.5	D633 S634 T635 K640 Q641	D633-R637 VanDerWaalsContact O-CG 3.3Å; D633-R637 WeakPolarHBondContact O-CG 3.34Å; D633-R637 PolarHBondContact O-N 3.29Å; D633-R637 VanDerWaalsContact O-N 3.15Å; D633-R637 PolarHBondContact O-NE 2.96Å; S634-R637 PolarHBondContact O-N 3.47Å; S634-R637 PolarHBondContact OG-NH2 2.85Å; T635-R637 VanDerWaalsContact C-N 3.34Å; T635-R637 PolarHBondContact O-N 3.5Å; R637-K640 PolarHBondContact O-N 3.42Å; R637-Q641 WeakPolarHBondContact O-CG 3.38Å; R637-Q641 PolarHBondContact O-N 3.39Å; R637-Q641 VanDerWaalsContact O-N 3.15Å
638	M	89.8	Confident	90.7	Very high	120 Å²	120	87.8 Å²	87.8	59%	0.591	43%	0.434	S	S	*	.	H	α-helix	trans	-64.3	-44.2	177.7	-69.7	-57.7	-60.9	0	0	112.3	S634 T635 K640 Q641 Y642	S634-M638 WeakPolarHBondContact O-CG 3.43Å; S634-M638 PolarHBondContact O-N 3.24Å; T635-M638 PolarHBondContact O-N 2.98Å; M638-K640 VanDerWaalsContact C-N 3.34Å; M638-K640 PolarHBondContact O-N 3.32Å; M638-Q641 PolarHBondContact O-N 3.41Å; M638-Y642 WeakPolarHBondContact O-CB 3.41Å; M638-Y642 PolarHBondContact O-N 2.94Å
639	L	90.7	Very high	91.2	Very high	104 Å²	104	88.3 Å²	88.3	55%	0.545	44%	0.444	S	S	.	.	H	α-helix	trans	-63.2	-38.4	177.8	-76.7	169.1	0	0	0	112.1	T635 L636 Y642 H643	T635-L639 WeakPolarHBondContact O-CB 3.38Å; T635-L639 WeakPolarHBondContact O-CG 3.47Å; T635-L639 PolarHBondContact O-N 3.29Å; L636-L639 PolarHBondContact O-N 3.45Å; L639-Y642 PolarHBondContact O-N 3.2Å; L639-H643 VanDerWaalsContact O-CB 3.31Å; L639-H643 WeakPolarHBondContact O-CB 3.32Å; L639-H643 PolarHBondContact O-N 2.9Å
640	K	92.8	Very high	91.5	Very high	140 Å²	140	88.4 Å²	88.4	61%	0.609	45%	0.447	S	S	*	.	H	α-helix	trans	-63.1	-41.8	173.9	-77.2	177.9	178.6	179.1	0	112.2	L636 R637 M638 G644	L636-K640 HydrophobicContact CG-CD 4.46Å; L636-K640 WeakPolarHBondContact O-CB 3.45Å; L636-K640 WeakPolarHBondContact O-CG 3.5Å; L636-K640 PolarHBondContact O-N 2.9Å; R637-K640 PolarHBondContact O-N 3.42Å; M638-K640 VanDerWaalsContact C-N 3.34Å; M638-K640 PolarHBondContact O-N 3.32Å; K640-G644 PolarHBondContact O-N 2.85Å; K640-G644 VanDerWaalsContact O-N 3.14Å
641	Q	93.3	Very high	91.6	Very high	128 Å²	128	88.5 Å²	88.5	60%	0.598	45%	0.449	S	S	*	.	H	α-helix	trans	-65	-46.2	175.2	-70.9	178.7	-1.9	0	0	111.3	R637 M638 H643 G644 V645	R637-Q641 WeakPolarHBondContact O-CG 3.38Å; R637-Q641 PolarHBondContact O-N 3.39Å; R637-Q641 VanDerWaalsContact O-N 3.15Å; M638-Q641 PolarHBondContact O-N 3.41Å; Q641-H643 VanDerWaalsContact C-N 3.35Å; Q641-H643 PolarHBondContact O-N 3.23Å; Q641-G644 PolarHBondContact O-N 3.47Å; Q641-G644 VanDerWaalsContact O-N 3.15Å; Q641-V645 PolarHBondContact O-N 3.49Å; Q641-V645 VanDerWaalsContact O-N 3.08Å
642	Y	91.7	Very high	91.9	Very high	144 Å²	144	90.8 Å²	90.8	57%	0.565	46%	0.461	S	S	*	.	H	α-helix	trans	-62.2	-40.8	178.5	-175.3	-111.8	0	0	0	112.4	M638 L639 G644 V645 L646	M638-Y642 WeakPolarHBondContact O-CB 3.41Å; M638-Y642 PolarHBondContact O-N 2.94Å; L639-Y642 PolarHBondContact O-N 3.2Å; Y642-G644 VanDerWaalsContact C-N 3.31Å; Y642-G644 PolarHBondContact O-N 2.93Å; Y642-V645 PolarHBondContact O-N 2.79Å; Y642-L646 HydrophobicContact CD1-CD1 3.77Å; Y642-L646 HydrophobicContact CD1-CG 4.22Å; Y642-L646 HydrophobicContact CE1-CD1 3.33Å; Y642-L646 HydrophobicContact CE1-CD2 4.36Å; Y642-L646 HydrophobicContact CE1-CG 3.85Å; Y642-L646 HydrophobicContact CE2-CG 4.4Å; Y642-L646 WeakPolarHBondContact O-CG 3.48Å; Y642-L646 PolarHBondContact O-N 3.05Å
643	H	93.1	Very high	92	Very high	128 Å²	128	91 Å²	91	59%	0.593	47%	0.469	S	S	*	.	H	α-helix	trans	-61.4	-38.7	173.8	-178.9	62.2	0	0	0	112.4	L639 Q641 L646 T647	L639-H643 VanDerWaalsContact O-CB 3.31Å; L639-H643 WeakPolarHBondContact O-CB 3.32Å; L639-H643 PolarHBondContact O-N 2.9Å; Q641-H643 VanDerWaalsContact C-N 3.35Å; Q641-H643 PolarHBondContact O-N 3.23Å; H643-L646 PolarHBondContact O-N 3.28Å; H643-T647 WeakPolarHBondContact O-CB 3.38Å; H643-T647 PolarHBondContact O-N 3.38Å; H643-T647 PolarHBondContact O-OG1 3.2Å
644	G	93.8	Very high	92.1	Very high	31 Å²	31	91.9 Å²	91.9	32%	0.32	47%	0.47	S	S	.	.	H	α-helix	trans	-57.8	-52	171.9	0	0	0	0	0	111.7	K640 Q641 Y642 L646 T647 D648	K640-G644 PolarHBondContact O-N 2.85Å; K640-G644 VanDerWaalsContact O-N 3.14Å; Q641-G644 PolarHBondContact O-N 3.47Å; Q641-G644 VanDerWaalsContact O-N 3.15Å; Y642-G644 VanDerWaalsContact C-N 3.31Å; Y642-G644 PolarHBondContact O-N 2.93Å; G644-L646 VanDerWaalsContact C-N 3.35Å; G644-L646 PolarHBondContact O-N 2.98Å; G644-T647 WeakPolarHBondContact O-CB 3.45Å; G644-T647 PolarHBondContact O-N 3.32Å; G644-T647 VanDerWaalsContact O-N 3.09Å; G644-D648 PolarHBondContact O-N 3.23Å
645	V	94.6	Very high	92.2	Very high	83 Å²	83	94.6 Å²	94.6	50%	0.503	48%	0.478	S	S	.	.	H	α-helix	trans	-59.8	-43	177.7	177.2	0	0	0	0	112	Q641 Y642 T647 D648 V649	Q641-V645 PolarHBondContact O-N 3.49Å; Q641-V645 VanDerWaalsContact O-N 3.08Å; Y642-V645 PolarHBondContact O-N 2.79Å; V645-T647 VanDerWaalsContact C-N 3.28Å; V645-T647 PolarHBondContact O-N 3.22Å; V645-D648 PolarHBondContact O-N 2.94Å; V645-V649 HydrophobicContact CG1-CG2 4.36Å; V645-V649 WeakPolarHBondContact O-CG2 3.18Å; V645-V649 PolarHBondContact O-N 3.45Å
646	L	93.3	Very high	92.4	Very high	78 Å²	78	99 Å²	99	41%	0.408	50%	0.496	S	S	.	.	H	α-helix	trans	-63.2	-35.4	176.8	-77.1	179.6	0	0	0	112.6	Y642 H643 G644 V649 S650	Y642-L646 HydrophobicContact CD1-CD1 3.77Å; Y642-L646 HydrophobicContact CD1-CG 4.22Å; Y642-L646 HydrophobicContact CE1-CD1 3.33Å; Y642-L646 HydrophobicContact CE1-CD2 4.36Å; Y642-L646 HydrophobicContact CE1-CG 3.85Å; Y642-L646 HydrophobicContact CE2-CG 4.4Å; Y642-L646 WeakPolarHBondContact O-CG 3.48Å; Y642-L646 PolarHBondContact O-N 3.05Å; H643-L646 PolarHBondContact O-N 3.28Å; G644-L646 VanDerWaalsContact C-N 3.35Å; G644-L646 PolarHBondContact O-N 2.98Å; L646-V649 PolarHBondContact O-N 3.39Å; L646-S650 WeakPolarHBondContact O-CB 3.37Å; L646-S650 PolarHBondContact O-N 2.94Å
647	T	93.1	Very high	92.5	Very high	54 Å²	54	100.5 Å²	100.5	33%	0.331	50%	0.501	S	S	.	.	H	α-helix	trans	-65.9	-43.5	176	-54.4	0	0	0	0	110.3	H643 G644 V645 S650 Q651	H643-T647 WeakPolarHBondContact O-CB 3.38Å; H643-T647 PolarHBondContact O-N 3.38Å; H643-T647 PolarHBondContact O-OG1 3.2Å; G644-T647 WeakPolarHBondContact O-CB 3.45Å; G644-T647 PolarHBondContact O-N 3.32Å; G644-T647 VanDerWaalsContact O-N 3.09Å; V645-T647 VanDerWaalsContact C-N 3.28Å; V645-T647 PolarHBondContact O-N 3.22Å; T647-S650 PolarHBondContact O-N 3.49Å; T647-Q651 WeakPolarHBondContact O-CG 3.14Å; T647-Q651 PolarHBondContact O-N 3.27Å
648	D	93.4	Very high	92.4	Very high	90 Å²	90	101.6 Å²	101.6	48%	0.481	51%	0.505	S	S	.	.	H	α-helix	trans	-63	-45.2	175.6	-62.2	-17.4	0	0	0	111.1	G644 V645 S650 Q651 L652	G644-D648 PolarHBondContact O-N 3.23Å; V645-D648 PolarHBondContact O-N 2.94Å; D648-S650 VanDerWaalsContact C-N 3.32Å; D648-S650 PolarHBondContact O-N 3.46Å; D648-Q651 PolarHBondContact O-N 2.9Å; D648-L652 WeakPolarHBondContact O-CB 3.07Å; D648-L652 WeakPolarHBondContact O-CG 3.5Å; D648-L652 PolarHBondContact O-N 3.41Å
649	V	92.5	Very high	92.4	Very high	73 Å²	73	100.5 Å²	100.5	44%	0.442	50%	0.501	S	S	.	.	H	α-helix	trans	-60.6	-41.5	175.8	170.6	0	0	0	0	111.2	V645 L646 Q651 L652 T653	V645-V649 HydrophobicContact CG1-CG2 4.36Å; V645-V649 WeakPolarHBondContact O-CG2 3.18Å; V645-V649 PolarHBondContact O-N 3.45Å; L646-V649 PolarHBondContact O-N 3.39Å; V649-Q651 VanDerWaalsContact C-N 3.34Å; V649-Q651 PolarHBondContact O-N 2.91Å; V649-L652 PolarHBondContact O-N 3.28Å; V649-T653 WeakPolarHBondContact O-CB 3.46Å; V649-T653 PolarHBondContact O-N 3.3Å; V649-T653 PolarHBondContact O-OG1 3.2Å
650	S	92.9	Very high	92.3	Very high	61 Å²	61	101.5 Å²	101.5	43%	0.427	50%	0.501	S	S	.	.	H	α-helix	trans	-62.2	-41.3	176.3	-178.4	0	0	0	0	111.9	L646 T647 D648 Q654	L646-S650 WeakPolarHBondContact O-CB 3.37Å; L646-S650 PolarHBondContact O-N 2.94Å; T647-S650 PolarHBondContact O-N 3.49Å; D648-S650 VanDerWaalsContact C-N 3.32Å; D648-S650 PolarHBondContact O-N 3.46Å; S650-Q654 WeakPolarHBondContact O-CG 3.37Å; S650-Q654 PolarHBondContact O-N 3.34Å; S650-Q654 VanDerWaalsContact O-N 3.15Å
651	Q	92.6	Very high	92	Very high	105 Å²	105	99.7 Å²	99.7	49%	0.491	50%	0.498	S	S	.	.	H	α-helix	trans	-65.7	-48.1	177	-70.7	175	13.3	0	0	110.9	T647 D648 V649 T653 Q654 E655	T647-Q651 WeakPolarHBondContact O-CG 3.14Å; T647-Q651 PolarHBondContact O-N 3.27Å; D648-Q651 PolarHBondContact O-N 2.9Å; V649-Q651 VanDerWaalsContact C-N 3.34Å; V649-Q651 PolarHBondContact O-N 2.91Å; Q651-T653 VanDerWaalsContact C-N 3.29Å; Q651-T653 PolarHBondContact O-N 2.86Å; Q651-Q654 PolarHBondContact O-N 3.49Å; Q651-E655 WeakPolarHBondContact O-CG 3.35Å; Q651-E655 PolarHBondContact O-N 2.96Å
652	L	92.8	Very high	91.7	Very high	104 Å²	104	98.8 Å²	98.8	55%	0.545	49%	0.494	S	S	.	.	H	α-helix	trans	-61.2	-37	177.7	-71.2	172.7	0	0	0	112.3	D648 V649 E655 Q656	D648-L652 WeakPolarHBondContact O-CB 3.07Å; D648-L652 WeakPolarHBondContact O-CG 3.5Å; D648-L652 PolarHBondContact O-N 3.41Å; V649-L652 PolarHBondContact O-N 3.28Å; L652-E655 PolarHBondContact O-N 3.37Å; L652-Q656 WeakPolarHBondContact O-CB 3.28Å; L652-Q656 PolarHBondContact O-N 3.23Å
653	T	92.5	Very high	91.3	Very high	63 Å²	63	96.4 Å²	96.4	39%	0.387	49%	0.491	S	S	.	.	H	α-helix	trans	-66.6	-42.8	177.6	-53.5	0	0	0	0	110.9	V649 Q651 E655 Q656 E657	V649-T653 WeakPolarHBondContact O-CB 3.46Å; V649-T653 PolarHBondContact O-N 3.3Å; V649-T653 PolarHBondContact O-OG1 3.2Å; Q651-T653 VanDerWaalsContact C-N 3.29Å; Q651-T653 PolarHBondContact O-N 2.86Å; T653-E655 VanDerWaalsContact C-N 3.34Å; T653-E655 PolarHBondContact O-N 3.26Å; T653-Q656 PolarHBondContact O-N 3.19Å; T653-E657 PolarHBondContact O-N 2.85Å
654	Q	91.3	Very high	90.9	Very high	107 Å²	107	94.7 Å²	94.7	50%	0.5	49%	0.49	S	S	.	.	H	α-helix	trans	-62.8	-40.1	174.2	-72.5	176.8	8.9	0	0	111.9	S650 Q651 Q656 R658	S650-Q654 WeakPolarHBondContact O-CG 3.37Å; S650-Q654 PolarHBondContact O-N 3.34Å; S650-Q654 VanDerWaalsContact O-N 3.15Å; Q651-Q654 PolarHBondContact O-N 3.49Å; Q654-Q656 VanDerWaalsContact C-N 3.34Å; Q654-R658 VanDerWaalsContact O-CG 3.31Å; Q654-R658 WeakPolarHBondContact O-CG 3.44Å; Q654-R658 PolarHBondContact O-N 2.95Å
655	E	91.4	Very high	90.4	Very high	106 Å²	106	101.1 Å²	101.1	50%	0.495	51%	0.511	S	S	.	.	H	α-helix	trans	-63.7	-41.2	173.4	-72.3	179.5	175.5	0	0	111.6	Q651 L652 T653 R658 L659	Q651-E655 WeakPolarHBondContact O-CG 3.35Å; Q651-E655 PolarHBondContact O-N 2.96Å; L652-E655 PolarHBondContact O-N 3.37Å; T653-E655 VanDerWaalsContact C-N 3.34Å; T653-E655 PolarHBondContact O-N 3.26Å; E655-R658 PolarHBondContact O-N 3.02Å; E655-L659 WeakPolarHBondContact O-CB 3.33Å; E655-L659 VanDerWaalsContact O-CG 3.3Å; E655-L659 WeakPolarHBondContact O-CG 3.41Å; E655-L659 PolarHBondContact O-N 3.02Å
656	Q	91.9	Very high	89.6	Confident	119 Å²	119	103.7 Å²	103.7	56%	0.556	52%	0.521	S	S	*	.	H	α-helix	trans	-66.5	-37.6	179.3	-145.4	-172.3	15.9	0	0	112.4	L652 T653 Q654 K660	L652-Q656 WeakPolarHBondContact O-CB 3.28Å; L652-Q656 PolarHBondContact O-N 3.23Å; T653-Q656 PolarHBondContact O-N 3.19Å; Q654-Q656 VanDerWaalsContact C-N 3.34Å; Q656-K660 WeakPolarHBondContact O-CG 3.44Å; Q656-K660 PolarHBondContact O-N 2.83Å
657	E	91.8	Very high	88.1	Confident	116 Å²	116	113 Å²	113	54%	0.542	55%	0.551	S	S	.	*	H	α-helix	trans	-64.6	-48.1	172.6	-76.6	-178.4	166.7	0	0	111.2	T653 L659 K660 D661	T653-E657 PolarHBondContact O-N 2.85Å; E657-L659 VanDerWaalsContact C-N 3.31Å; E657-L659 PolarHBondContact O-N 3.4Å; E657-K660 WeakPolarHBondContact O-CB 3.3Å; E657-K660 PolarHBondContact O-N 2.72Å; E657-D661 PolarHBondContact O-N 3Å
658	R	91.1	Very high	87.8	Confident	180 Å²	180	116 Å²	116	68%	0.679	56%	0.562	S	S	*	*	H	α-helix	trans	-55.8	-45.3	175.6	-73.7	176.8	-179.5	-168.1	2.1	112.6	Q654 E655 K660 D661 E662	Q654-R658 VanDerWaalsContact O-CG 3.31Å; Q654-R658 WeakPolarHBondContact O-CG 3.44Å; Q654-R658 PolarHBondContact O-N 2.95Å; E655-R658 PolarHBondContact O-N 3.02Å; R658-K660 VanDerWaalsContact C-N 3.32Å; R658-K660 PolarHBondContact O-N 3.19Å; R658-D661 PolarHBondContact O-N 3.44Å; R658-E662 PolarHBondContact O-N 3.36Å
659	L	89.4	Confident	87.6	Confident	96 Å²	96	117.3 Å²	117.3	50%	0.503	57%	0.566	S	S	.	*	H	α-helix	trans	-68.5	-29.6	178.3	-72.2	172.9	0	0	0	112.9	E655 E657 N663	E655-L659 WeakPolarHBondContact O-CB 3.33Å; E655-L659 VanDerWaalsContact O-CG 3.3Å; E655-L659 WeakPolarHBondContact O-CG 3.41Å; E655-L659 PolarHBondContact O-N 3.02Å; E657-L659 VanDerWaalsContact C-N 3.31Å; E657-L659 PolarHBondContact O-N 3.4Å; L659-N663 WeakPolarHBondContact O-CB 3.49Å; L659-N663 PolarHBondContact O-N 3.5Å; L659-N663 VanDerWaalsContact O-N 3.09Å; L659-N663 PolarHBondContact O-ND2 3.26Å
660	K	88.6	Confident	87.3	Confident	126 Å²	126	119.8 Å²	119.8	55%	0.548	57%	0.573	S	S	.	*	H	α-helix	trans	-68.9	-46.9	172.5	-82.5	175.3	179.7	172.8	0	110.7	Q656 E657 R658 E662 N663 T664	Q656-K660 WeakPolarHBondContact O-CG 3.44Å; Q656-K660 PolarHBondContact O-N 2.83Å; E657-K660 WeakPolarHBondContact O-CB 3.3Å; E657-K660 PolarHBondContact O-N 2.72Å; R658-K660 VanDerWaalsContact C-N 3.32Å; R658-K660 PolarHBondContact O-N 3.19Å; K660-E662 VanDerWaalsContact C-N 3.34Å; K660-E662 PolarHBondContact O-N 3.22Å; K660-N663 PolarHBondContact O-N 2.85Å; K660-N663 VanDerWaalsContact O-N 3.17Å; K660-T664 WeakPolarHBondContact O-CG2 3.45Å; K660-T664 PolarHBondContact O-N 3.24Å
661	D	87.6	Confident	86.9	Confident	102 Å²	102	123.2 Å²	123.2	55%	0.545	58%	0.582	S	S	.	*	H	α-helix	trans	-58.4	-47.6	178.1	-67.1	-17.1	0	0	0	110.5	E657 R658 N663 T664 E665	E657-D661 PolarHBondContact O-N 3Å; R658-D661 PolarHBondContact O-N 3.44Å; D661-N663 VanDerWaalsContact C-N 3.35Å; D661-N663 PolarHBondContact O-N 3.2Å; D661-T664 WeakPolarHBondContact CA-OG1 3.35Å; D661-T664 PolarHBondContact O-N 2.94Å; D661-T664 PolarHBondContact O-OG1 3.39Å; D661-E665 PolarHBondContact O-N 3.01Å
662	E	87.1	Confident	86.6	Confident	108 Å²	108	124.4 Å²	124.4	51%	0.505	59%	0.588	S	S	.	*	H	α-helix	trans	-59.5	-41.7	175.7	-168.9	177	-172.6	0	0	112.2	R658 K660 T664 E665 L666	R658-E662 PolarHBondContact O-N 3.36Å; K660-E662 VanDerWaalsContact C-N 3.34Å; K660-E662 PolarHBondContact O-N 3.22Å; E662-T664 VanDerWaalsContact C-N 3.32Å; E662-T664 PolarHBondContact O-N 3.29Å; E662-E665 PolarHBondContact O-N 3.15Å; E662-L666 HydrophobicContact CG-CD1 4.32Å; E662-L666 VanDerWaalsContact O-CG 3.27Å; E662-L666 WeakPolarHBondContact O-CG 3.45Å; E662-L666 PolarHBondContact O-N 2.76Å; E662-L666 VanDerWaalsContact O-N 3.11Å
663	N	83.3	Confident	86.2	Confident	94 Å²	94	125.7 Å²	125.7	50%	0.503	59%	0.59	S	S	.	*	H	α-helix	trans	-67.1	-29.4	174.6	-89.5	-67.4	0	0	0	113.7	L659 K660 D661 R667	L659-N663 WeakPolarHBondContact O-CB 3.49Å; L659-N663 PolarHBondContact O-N 3.5Å; L659-N663 VanDerWaalsContact O-N 3.09Å; L659-N663 PolarHBondContact O-ND2 3.26Å; K660-N663 PolarHBondContact O-N 2.85Å; K660-N663 VanDerWaalsContact O-N 3.17Å; D661-N663 VanDerWaalsContact C-N 3.35Å; D661-N663 PolarHBondContact O-N 3.2Å; N663-R667 WeakPolarHBondContact O-CG 3.33Å; N663-R667 PolarHBondContact O-N 3.11Å
664	T	84.4	Confident	85.7	Confident	93 Å²	93	130.2 Å²	130.2	57%	0.571	61%	0.605	S	S	*	*	H	α-helix	trans	-74.9	-31.7	174.4	59	0	0	0	0	112.7	K660 D661 E662 L666	K660-T664 WeakPolarHBondContact O-CG2 3.45Å; K660-T664 PolarHBondContact O-N 3.24Å; D661-T664 WeakPolarHBondContact CA-OG1 3.35Å; D661-T664 PolarHBondContact O-N 2.94Å; D661-T664 PolarHBondContact O-OG1 3.39Å; E662-T664 VanDerWaalsContact C-N 3.32Å; E662-T664 PolarHBondContact O-N 3.29Å; T664-L666 VanDerWaalsContact C-N 3.33Å
665	E	83.4	Confident	85.3	Confident	166 Å²	166	132 Å²	132	78%	0.776	61%	0.613	S	S	*	*	H	α-helix	trans	-71.3	-29.8	173.2	-70.5	-173.5	166.1	0	0	112.5	D661 E662	D661-E665 PolarHBondContact O-N 3.01Å; E662-E665 PolarHBondContact O-N 3.15Å
666	L	77.1	Confident	84.8	Confident	137 Å²	137	134.2 Å²	134.2	72%	0.717	62%	0.623	S	S	*	*			trans	-82.2	-14.5	179.4	-70.2	172.7	0	0	0	114.4	E662 T664	E662-L666 HydrophobicContact CG-CD1 4.32Å; E662-L666 VanDerWaalsContact O-CG 3.27Å; E662-L666 WeakPolarHBondContact O-CG 3.45Å; E662-L666 PolarHBondContact O-N 2.76Å; E662-L666 VanDerWaalsContact O-N 3.11Å; T664-L666 VanDerWaalsContact C-N 3.33Å
667	R	61.9	Low	84.1	Confident	273 Å²	273	135.5 Å²	135.5	100%	1.03	63%	0.629	S	S	*	*			trans	-94.1	0	176.3	-80.3	-176.1	176.4	-168.4	0.8	111.2	N663	N663-R667 WeakPolarHBondContact O-CG 3.33Å; N663-R667 PolarHBondContact O-N 3.11Å

Retrieved 667 of 667 residues in 106.1 ms (Link to these results)

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