A0A077YZ92_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077YZ92, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 551 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	M	55.5	Low	64.6	Low	198 Å²	198	115 Å²	115	98%	0.975	56%	0.563	S	S	*	*				0	-61.6	0	-107.6	164.6	-169.6	0	0	110.4	E3 Y4 D5	M1-E3 PolarHBondContact O-N 2.99Å; M1-Y4 WeakPolarHBondContact O-CA 3.43Å; M1-Y4 WeakPolarHBondContact O-CB 3.34Å; M1-Y4 PolarHBondContact O-N 3.01Å; M1-D5 PolarHBondContact O-N 3.25Å
2	K	62.3	Low	64.3	Low	158 Å²	158	118.7 Å²	118.7	69%	0.687	57%	0.566	S	S	*	*	H	α-helix	trans	-51.9	-46.1	179.2	-158.7	-179.7	178.1	-168.1	0	115.2	Y4 D5 E6	K2-Y4 VanDerWaalsContact C-N 3.32Å; K2-Y4 PolarHBondContact O-N 2.96Å; K2-D5 PolarHBondContact O-N 3.45Å; K2-E6 WeakPolarHBondContact CE-OE1 3.33Å; K2-E6 WeakPolarHBondContact O-CB 3.35Å; K2-E6 WeakPolarHBondContact O-CG 3.37Å; K2-E6 PolarHBondContact O-N 2.75Å
3	E	62	Low	64.1	Low	167 Å²	167	117.6 Å²	117.6	78%	0.78	57%	0.572	S	S	*	*	H	α-helix	trans	-66.3	-30.8	176.3	-68.1	174.8	163	0	0	113.5	M1 C7	M1-E3 PolarHBondContact O-N 2.99Å; E3-C7 WeakPolarHBondContact O-CB 3.1Å; E3-C7 PolarHBondContact O-N 2.92Å; E3-C7 VanDerWaalsContact O-N 3.1Å
4	Y	67.5	Low	63.2	Low	150 Å²	150	116.6 Å²	116.6	59%	0.588	56%	0.563	S	S	*	*	H	α-helix	trans	-72.3	-43.2	175.7	175.7	-94.9	0	0	0	110.5	M1 K2 C7 M8	M1-Y4 WeakPolarHBondContact O-CA 3.43Å; M1-Y4 WeakPolarHBondContact O-CB 3.34Å; M1-Y4 PolarHBondContact O-N 3.01Å; K2-Y4 VanDerWaalsContact C-N 3.32Å; K2-Y4 PolarHBondContact O-N 2.96Å; Y4-C7 PolarHBondContact O-N 3.31Å; Y4-M8 HydrophobicContact CD1-CG 4.06Å; Y4-M8 HydrophobicContact CD2-CG 4.44Å; Y4-M8 HydrophobicContact CE1-CG 3.64Å; Y4-M8 HydrophobicContact CE2-CG 4.04Å; Y4-M8 HydrophobicContact CE2-SD 4.27Å; Y4-M8 HydrophobicContact CG-CG 4.45Å; Y4-M8 WeakPolarHBondContact O-CB 3.39Å; Y4-M8 VanDerWaalsContact O-CG 3.28Å; Y4-M8 WeakPolarHBondContact O-CG 3.45Å; Y4-M8 PolarHBondContact O-N 2.84Å
5	D	67.6	Low	62.6	Low	82 Å²	82	118 Å²	118	44%	0.439	57%	0.568	S	S	.	*	H	α-helix	trans	-65.5	-41.8	177.9	-60.8	-33.8	0	0	0	110.9	M1 K2 C7 M8 D9	M1-D5 PolarHBondContact O-N 3.25Å; K2-D5 PolarHBondContact O-N 3.45Å; D5-C7 PolarHBondContact O-N 3.21Å; D5-M8 PolarHBondContact O-N 3.45Å; D5-D9 WeakPolarHBondContact O-CB 3.43Å; D5-D9 PolarHBondContact O-N 3.44Å
6	E	71.4	Confident	62.3	Low	108 Å²	108	117.4 Å²	117.4	51%	0.505	56%	0.564	S	S	.	*	H	α-helix	trans	-61.6	-41.5	174	-76.4	172.4	-169.3	0	0	112.2	K2 E10	K2-E6 WeakPolarHBondContact CE-OE1 3.33Å; K2-E6 WeakPolarHBondContact O-CB 3.35Å; K2-E6 WeakPolarHBondContact O-CG 3.37Å; K2-E6 PolarHBondContact O-N 2.75Å; E6-E10 PolarHBondContact O-N 3.49Å
7	C	68.9	Low	61.7	Low	73 Å²	73	117.4 Å²	117.4	49%	0.493	56%	0.557	S	S	.	*	H	α-helix	trans	-64.8	-44.4	174.8	-175.4	0	0	0	0	111.9	E3 Y4 D5 E10 C11	E3-C7 WeakPolarHBondContact O-CB 3.1Å; E3-C7 PolarHBondContact O-N 2.92Å; E3-C7 VanDerWaalsContact O-N 3.1Å; Y4-C7 PolarHBondContact O-N 3.31Å; D5-C7 PolarHBondContact O-N 3.21Å; C7-E10 PolarHBondContact O-N 3.23Å; C7-C11 WeakPolarHBondContact O-CB 3.45Å; C7-C11 PolarHBondContact O-N 3Å; C7-C11 PolarHBondContact O-SG 3.38Å
8	M	64	Low	60.7	Low	65 Å²	65	112.1 Å²	112.1	32%	0.32	54%	0.535	S	S	.	.	H	α-helix	trans	-67.3	-35.8	178.8	-72.4	-60.6	-63.2	0	0	112.4	Y4 D5 C11 R12	Y4-M8 HydrophobicContact CD1-CG 4.06Å; Y4-M8 HydrophobicContact CD2-CG 4.44Å; Y4-M8 HydrophobicContact CE1-CG 3.64Å; Y4-M8 HydrophobicContact CE2-CG 4.04Å; Y4-M8 HydrophobicContact CE2-SD 4.27Å; Y4-M8 HydrophobicContact CG-CG 4.45Å; Y4-M8 WeakPolarHBondContact O-CB 3.39Å; Y4-M8 VanDerWaalsContact O-CG 3.28Å; Y4-M8 WeakPolarHBondContact O-CG 3.45Å; Y4-M8 PolarHBondContact O-N 2.84Å; D5-M8 PolarHBondContact O-N 3.45Å; M8-C11 PolarHBondContact O-N 2.9Å; M8-R12 WeakPolarHBondContact O-CB 3.25Å; M8-R12 WeakPolarHBondContact O-CG 3.46Å; M8-R12 PolarHBondContact O-N 3.46Å
9	D	68.9	Low	60.1	Low	91 Å²	91	113.7 Å²	113.7	49%	0.487	54%	0.54	S	S	.	.	H	α-helix	trans	-69.2	-40.7	174.4	-78.5	-18	0	0	0	111.2	D5 R12 V13	D5-D9 WeakPolarHBondContact O-CB 3.43Å; D5-D9 PolarHBondContact O-N 3.44Å; D9-R12 PolarHBondContact O-N 3.32Å; D9-V13 WeakPolarHBondContact O-CB 3.33Å; D9-V13 VanDerWaalsContact O-CG2 3.26Å; D9-V13 WeakPolarHBondContact O-CG2 3.4Å; D9-V13 PolarHBondContact O-N 2.83Å
10	E	66.5	Low	59.9	Low	119 Å²	119	111.4 Å²	111.4	56%	0.556	53%	0.531	S	S	*	.	H	α-helix	trans	-59.8	-45.1	170.6	-98.3	-162.3	-165.4	0	0	112.1	E6 C7 V13 K14	E6-E10 PolarHBondContact O-N 3.49Å; C7-E10 PolarHBondContact O-N 3.23Å; E10-V13 PolarHBondContact O-N 3.06Å; E10-K14 WeakPolarHBondContact O-CB 3.33Å; E10-K14 WeakPolarHBondContact O-CD 3.48Å; E10-K14 WeakPolarHBondContact O-CG 3.15Å; E10-K14 PolarHBondContact O-N 3.35Å; E10-K14 IonicContact OE2-NZ 3.11Å; E10-K14 PolarHBondContact OE2-NZ 3.4Å
11	C	55.8	Low	59.3	Low	54 Å²	54	108.1 Å²	108.1	37%	0.365	52%	0.516	S	S	.	.	H	α-helix	trans	-61.8	-43.9	176.2	-78.6	0	0	0	0	111.6	C7 M8 K14 E15	C7-C11 WeakPolarHBondContact O-CB 3.45Å; C7-C11 PolarHBondContact O-N 3Å; C7-C11 PolarHBondContact O-SG 3.38Å; M8-C11 PolarHBondContact O-N 2.9Å; C11-K14 PolarHBondContact O-N 2.91Å; C11-E15 WeakPolarHBondContact O-CB 3.45Å; C11-E15 WeakPolarHBondContact O-CG 3.42Å; C11-E15 PolarHBondContact O-N 3Å
12	R	61.8	Low	58.8	Low	159 Å²	159	102.2 Å²	102.2	60%	0.6	49%	0.488	S	S	*	.	H	α-helix	trans	-64.8	-41.5	177	-78.9	178.7	-176	178	4.1	112.6	M8 D9 K14 E15 Q16	M8-R12 WeakPolarHBondContact O-CB 3.25Å; M8-R12 WeakPolarHBondContact O-CG 3.46Å; M8-R12 PolarHBondContact O-N 3.46Å; D9-R12 PolarHBondContact O-N 3.32Å; R12-K14 VanDerWaalsContact C-N 3.3Å; R12-E15 PolarHBondContact O-N 2.8Å; R12-Q16 WeakPolarHBondContact O-CB 3.21Å; R12-Q16 PolarHBondContact O-N 3.5Å
13	V	60.7	Low	58.6	Low	105 Å²	105	100 Å²	100	64%	0.636	48%	0.478	S	S	*	.	H	α-helix	trans	-64.2	-39.3	175.9	170.4	0	0	0	0	110.4	D9 E10 R17	D9-V13 WeakPolarHBondContact O-CB 3.33Å; D9-V13 VanDerWaalsContact O-CG2 3.26Å; D9-V13 WeakPolarHBondContact O-CG2 3.4Å; D9-V13 PolarHBondContact O-N 2.83Å; E10-V13 PolarHBondContact O-N 3.06Å; V13-R17 WeakPolarHBondContact O-CB 3.32Å; V13-R17 PolarHBondContact O-N 3.19Å; V13-R17 VanDerWaalsContact O-N 3.1Å
14	K	52.3	Low	58.4	Low	103 Å²	103	94.2 Å²	94.2	45%	0.448	45%	0.451	S	S	.	.	H	α-helix	trans	-64.5	-52.2	175	-73.7	167.4	-170	162.2	0	111.3	E10 C11 R12 Q16 R17 S18	E10-K14 WeakPolarHBondContact O-CB 3.33Å; E10-K14 WeakPolarHBondContact O-CD 3.48Å; E10-K14 WeakPolarHBondContact O-CG 3.15Å; E10-K14 PolarHBondContact O-N 3.35Å; E10-K14 IonicContact OE2-NZ 3.11Å; E10-K14 PolarHBondContact OE2-NZ 3.4Å; C11-K14 PolarHBondContact O-N 2.91Å; R12-K14 VanDerWaalsContact C-N 3.3Å; K14-Q16 VanDerWaalsContact C-N 3.33Å; K14-Q16 PolarHBondContact O-N 2.77Å; K14-R17 WeakPolarHBondContact O-CB 3.03Å; K14-R17 PolarHBondContact O-N 3.29Å; K14-R17 VanDerWaalsContact O-N 3.17Å; K14-S18 PolarHBondContact O-N 3.34Å; K14-S18 PolarHBondContact O-OG 3.42Å; K14-S18 VanDerWaalsContact O-OG 3.05Å
15	E	53.9	Low	57.3	Low	138 Å²	138	90.6 Å²	90.6	65%	0.645	44%	0.441	S	S	*	.	H	α-helix	trans	-60.4	-39.9	177.9	-76	-175.5	166.9	0	0	112.6	C11 R12 R17 S18 F19	C11-E15 WeakPolarHBondContact O-CB 3.45Å; C11-E15 WeakPolarHBondContact O-CG 3.42Å; C11-E15 PolarHBondContact O-N 3Å; R12-E15 PolarHBondContact O-N 2.8Å; E15-R17 VanDerWaalsContact C-N 3.34Å; E15-R17 PolarHBondContact O-N 2.88Å; E15-S18 WeakPolarHBondContact O-CB 3.35Å; E15-S18 PolarHBondContact O-N 3.34Å; E15-F19 PolarHBondContact O-N 2.86Å
16	Q	58.2	Low	56.6	Low	108 Å²	108	93 Å²	93	51%	0.505	45%	0.449	S	S	.	.	H	α-helix	trans	-62.3	-43.3	176.9	-173.8	62.3	45.6	0	0	110.8	R12 K14 S18 F19 D20	R12-Q16 WeakPolarHBondContact O-CB 3.21Å; R12-Q16 PolarHBondContact O-N 3.5Å; K14-Q16 VanDerWaalsContact C-N 3.33Å; K14-Q16 PolarHBondContact O-N 2.77Å; Q16-S18 PolarHBondContact O-N 2.87Å; Q16-F19 PolarHBondContact O-N 3.42Å; Q16-D20 PolarHBondContact NE2-OD1 2.86Å; Q16-D20 VanDerWaalsContact NE2-OD1 3.09Å; Q16-D20 WeakPolarHBondContact O-CB 3.32Å; Q16-D20 PolarHBondContact O-N 2.84Å
17	R	51	Low	56	Low	117 Å²	117	91 Å²	91	44%	0.442	44%	0.439	S	S	.	.	H	α-helix	trans	-62.6	-41.8	176.9	-166.5	-178.7	-172.2	-167.7	2.8	111.9	V13 K14 E15 D20 M21 E63	V13-R17 WeakPolarHBondContact O-CB 3.32Å; V13-R17 PolarHBondContact O-N 3.19Å; V13-R17 VanDerWaalsContact O-N 3.1Å; K14-R17 WeakPolarHBondContact O-CB 3.03Å; K14-R17 PolarHBondContact O-N 3.29Å; K14-R17 VanDerWaalsContact O-N 3.17Å; E15-R17 VanDerWaalsContact C-N 3.34Å; E15-R17 PolarHBondContact O-N 2.88Å; R17-D20 PolarHBondContact O-N 3.44Å; R17-M21 PolarHBondContact O-N 3.39Å; R17-E63 IonicContact NH2-OE2 2.67Å; R17-E63 PolarHBondContact NH2-OE2 3.23Å
18	S	44.4	Very low	55.2	Low	22 Å²	22	90.7 Å²	90.7	15%	0.154	43%	0.429	C	S	.	.	H	α-helix	trans	-59.5	-44.9	174.8	-53.8	0	0	0	0	112	K14 E15 Q16 M21 L22 E244	K14-S18 PolarHBondContact O-N 3.34Å; K14-S18 PolarHBondContact O-OG 3.42Å; K14-S18 VanDerWaalsContact O-OG 3.05Å; E15-S18 WeakPolarHBondContact O-CB 3.35Å; E15-S18 PolarHBondContact O-N 3.34Å; Q16-S18 PolarHBondContact O-N 2.87Å; S18-M21 PolarHBondContact O-N 2.92Å; S18-L22 PolarHBondContact O-N 2.04Å; S18-L22 VanDerWaalsContact O-N 3.11Å; S18-E244 VanDerWaalsContact CB-CD 3.43Å; S18-E244 WeakPolarHBondContact CB-OE1 3.5Å; S18-E244 WeakPolarHBondContact CB-OE2 3.43Å; S18-E244 VanDerWaalsContact OG-CD 3.25Å; S18-E244 PolarHBondContact OG-OE2 3.33Å
19	F	50.2	Low	54.7	Low	144 Å²	144	91.3 Å²	91.3	63%	0.632	44%	0.44	S	S	*	.	H	α-helix	trans	-65.8	-40.4	178.2	-147.8	-83.6	0	0	0	111.7	E15 Q16 K23	E15-F19 PolarHBondContact O-N 2.86Å; Q16-F19 PolarHBondContact O-N 3.42Å; F19-K23 WeakPolarHBondContact O-CB 3.49Å; F19-K23 PolarHBondContact O-N 3.38Å
20	D	55.2	Low	54.2	Low	67 Å²	67	91.2 Å²	91.2	36%	0.358	44%	0.44	S	S	.	.	H	α-helix	trans	-65.4	-39.7	178.3	-68.1	-24	0	0	0	111.6	Q16 R17 K23 E24	Q16-D20 PolarHBondContact NE2-OD1 2.86Å; Q16-D20 VanDerWaalsContact NE2-OD1 3.09Å; Q16-D20 WeakPolarHBondContact O-CB 3.32Å; Q16-D20 PolarHBondContact O-N 2.84Å; R17-D20 PolarHBondContact O-N 3.44Å; D20-K23 PolarHBondContact O-N 3.42Å; D20-E24 PolarHBondContact O-N 3.41Å
21	M	47.4	Very low	53.9	Low	43 Å²	43	88 Å²	88	21%	0.212	42%	0.423	C	S	.	.	H	α-helix	trans	-71.6	-41.9	178.9	-163.2	174.6	75.7	0	0	113.2	R17 S18 K23 E24 I25 L60 E244	R17-M21 PolarHBondContact O-N 3.39Å; S18-M21 PolarHBondContact O-N 2.92Å; M21-K23 VanDerWaalsContact C-N 3.29Å; M21-K23 PolarHBondContact O-N 3.27Å; M21-E24 WeakPolarHBondContact O-CB 3.06Å; M21-E24 PolarHBondContact O-N 2.91Å; M21-E24 VanDerWaalsContact O-N 3.16Å; M21-I25 WeakPolarHBondContact O-CG1 3.33Å; M21-I25 PolarHBondContact O-N 2.04Å; M21-L60 HydrophobicContact CB-CD1 3.98Å; M21-L60 HydrophobicContact CG-CD1 4.1Å; M21-E244 HydrophobicContact CE-CB 4.31Å; M21-E244 HydrophobicContact CE-CG 3.57Å
22	L	44.5	Very low	53.8	Low	74 Å²	74	91.7 Å²	91.7	39%	0.387	43%	0.429	S	S	.	.	H	α-helix	trans	-59.6	-43.7	172.6	-83.9	170.4	0	0	0	111.2	S18 E24 I25 E26	S18-L22 PolarHBondContact O-N 2.04Å; S18-L22 VanDerWaalsContact O-N 3.11Å; L22-E24 VanDerWaalsContact C-N 3.27Å; L22-E24 PolarHBondContact O-N 2.9Å; L22-I25 PolarHBondContact O-N 3.31Å; L22-I25 VanDerWaalsContact O-N 3.15Å; L22-E26 PolarHBondContact O-N 3.41Å
23	K	58.1	Low	53.6	Low	111 Å²	111	90.5 Å²	90.5	48%	0.483	43%	0.428	S	S	.	.	H	α-helix	trans	-61.6	-35.7	175.9	-169.8	177.7	-177.5	-179.4	0	111.8	F19 D20 M21 K27	F19-K23 WeakPolarHBondContact O-CB 3.49Å; F19-K23 PolarHBondContact O-N 3.38Å; D20-K23 PolarHBondContact O-N 3.42Å; M21-K23 VanDerWaalsContact C-N 3.29Å; M21-K23 PolarHBondContact O-N 3.27Å; K23-K27 WeakPolarHBondContact O-CB 3.02Å; K23-K27 WeakPolarHBondContact O-CG 3.08Å; K23-K27 PolarHBondContact O-N 2.99Å
24	E	57.7	Low	53.4	Low	45 Å²	45	88.8 Å²	88.8	21%	0.21	42%	0.416	C	S	.	.	H	α-helix	trans	-67.7	-39.3	172.3	-81.1	-170.6	-169.1	0	0	113	D20 M21 L22 K28 L60	D20-E24 PolarHBondContact O-N 3.41Å; M21-E24 WeakPolarHBondContact O-CB 3.06Å; M21-E24 PolarHBondContact O-N 2.91Å; M21-E24 VanDerWaalsContact O-N 3.16Å; L22-E24 VanDerWaalsContact C-N 3.27Å; L22-E24 PolarHBondContact O-N 2.9Å; E24-K28 VanDerWaalsContact O-CB 3.3Å; E24-K28 WeakPolarHBondContact O-CB 3.49Å; E24-K28 PolarHBondContact O-N 2.61Å; E24-L60 VanDerWaalsContact CD-CD1 3.49Å; E24-L60 HydrophobicContact CG-CD1 4.43Å; E24-L60 WeakPolarHBondContact OE1-CD1 3.49Å; E24-L60 WeakPolarHBondContact OE2-CB 3.42Å; E24-L60 WeakPolarHBondContact OE2-CD1 3.43Å; E24-L60 WeakPolarHBondContact OE2-CG 3.23Å
25	I	45.3	Very low	53.4	Low	74 Å²	74	85.8 Å²	85.8	38%	0.379	40%	0.402	S	S	.	.	H	α-helix	trans	-67.6	-48.4	177.7	-67.5	170.6	0	0	0	111.1	M21 L22 K27 K28 S29	M21-I25 WeakPolarHBondContact O-CG1 3.33Å; M21-I25 PolarHBondContact O-N 2.04Å; L22-I25 PolarHBondContact O-N 3.31Å; L22-I25 VanDerWaalsContact O-N 3.15Å; I25-K27 VanDerWaalsContact C-N 3.33Å; I25-K27 PolarHBondContact O-N 3.08Å; I25-K28 WeakPolarHBondContact O-CB 3.37Å; I25-K28 PolarHBondContact O-N 3.43Å; I25-K28 VanDerWaalsContact O-N 3.09Å; I25-S29 PolarHBondContact O-N 3.03Å
26	E	52.5	Low	53.6	Low	132 Å²	132	83.8 Å²	83.8	62%	0.617	40%	0.396	S	S	*	.	H	α-helix	trans	-59.1	-47.1	175.5	-76.2	-176.5	163.6	0	0	110.5	L22 K28 S29 D30	L22-E26 PolarHBondContact O-N 3.41Å; E26-K28 VanDerWaalsContact C-N 3.31Å; E26-K28 PolarHBondContact O-N 3.34Å; E26-S29 WeakPolarHBondContact O-CB 3.5Å; E26-S29 PolarHBondContact O-N 2.98Å; E26-D30 WeakPolarHBondContact O-CB 3.45Å; E26-D30 PolarHBondContact O-N 3.05Å
27	K	58.6	Low	53.5	Low	67 Å²	67	84.5 Å²	84.5	29%	0.291	40%	0.4	S	S	.	.	H	α-helix	trans	-54.5	-45.6	171.6	-86.1	178.6	166.6	-162.3	0	111.7	K23 I25 S29 D30 Y31 E57	K23-K27 WeakPolarHBondContact O-CB 3.02Å; K23-K27 WeakPolarHBondContact O-CG 3.08Å; K23-K27 PolarHBondContact O-N 2.99Å; I25-K27 VanDerWaalsContact C-N 3.33Å; I25-K27 PolarHBondContact O-N 3.08Å; K27-S29 PolarHBondContact O-N 3.35Å; K27-D30 CarbonylContact O-C 3.58Å; K27-D30 PolarHBondContact O-N 3.12Å; K27-Y31 HydrophobicContact CB-CD2 3.96Å; K27-Y31 HydrophobicContact CB-CE2 3.72Å; K27-Y31 HydrophobicContact CD-CE2 4.29Å; K27-Y31 HydrophobicContact CG-CE2 4.23Å; K27-Y31 WeakPolarHBondContact O-CA 3.04Å; K27-Y31 WeakPolarHBondContact O-CB 3.28Å; K27-Y31 WeakPolarHBondContact O-CD2 3.28Å; K27-Y31 PolarHBondContact O-N 2.64Å; K27-E57 IonicContact NZ-OE1 3.84Å; K27-E57 PolarHBondContact NZ-OE1 3.06Å; K27-E57 IonicContact NZ-OE2 2.78Å; K27-E57 PolarHBondContact NZ-OE2 2.83Å
28	K	52.5	Low	53.7	Low	67 Å²	67	81.8 Å²	81.8	29%	0.291	40%	0.396	S	S	.	.	H	α-helix	trans	-63.3	-41	-179.6	-170.9	177.8	179.1	-171.7	0	112	E24 I25 E26 Y31 W32 F58	E24-K28 VanDerWaalsContact O-CB 3.3Å; E24-K28 WeakPolarHBondContact O-CB 3.49Å; E24-K28 PolarHBondContact O-N 2.61Å; I25-K28 WeakPolarHBondContact O-CB 3.37Å; I25-K28 PolarHBondContact O-N 3.43Å; I25-K28 VanDerWaalsContact O-N 3.09Å; E26-K28 VanDerWaalsContact C-N 3.31Å; E26-K28 PolarHBondContact O-N 3.34Å; K28-Y31 PolarHBondContact O-N 3.12Å; K28-W32 VanDerWaalsContact O-CD1 3.29Å; K28-W32 PolarHBondContact O-N 3.44Å; K28-F58 HydrophobicContact CB-CE1 4.02Å; K28-F58 HydrophobicContact CD-CD1 4.47Å; K28-F58 HydrophobicContact CD-CE1 3.76Å; K28-F58 HydrophobicContact CD-CZ 4.38Å; K28-F58 HydrophobicContact CG-CE1 3.69Å; K28-F58 HydrophobicContact CG-CZ 4.04Å
29	S	54.2	Low	54.2	Low	77 Å²	77	84.8 Å²	84.8	54%	0.538	41%	0.406	S	S	.	.	H	α-helix	trans	-62	-51.2	174.3	-177.3	0	0	0	0	110.8	I25 E26 K27 Y31 W32 K33	I25-S29 PolarHBondContact O-N 3.03Å; E26-S29 WeakPolarHBondContact O-CB 3.5Å; E26-S29 PolarHBondContact O-N 2.98Å; K27-S29 PolarHBondContact O-N 3.35Å; S29-Y31 VanDerWaalsContact C-N 3.25Å; S29-Y31 PolarHBondContact O-N 3.37Å; S29-W32 PolarHBondContact O-N 3.3Å; S29-K33 WeakPolarHBondContact O-CB 3.49Å; S29-K33 PolarHBondContact O-N 2.99Å
30	D	58	Low	54.8	Low	90 Å²	90	86.9 Å²	86.9	48%	0.481	42%	0.415	S	S	.	.	H	α-helix	trans	-60.6	-36.8	175.8	-75.4	-19	0	0	0	111.4	E26 K27 K33 N34	E26-D30 WeakPolarHBondContact O-CB 3.45Å; E26-D30 PolarHBondContact O-N 3.05Å; K27-D30 CarbonylContact O-C 3.58Å; K27-D30 PolarHBondContact O-N 3.12Å; D30-K33 PolarHBondContact O-N 3.08Å; D30-N34 WeakPolarHBondContact O-CB 3.31Å; D30-N34 PolarHBondContact O-N 3.34Å; D30-N34 PolarHBondContact O-ND2 3.39Å; D30-N34 VanDerWaalsContact O-ND2 3.13Å
31	Y	59.7	Low	55.2	Low	51 Å²	51	87.2 Å²	87.2	20%	0.2	44%	0.435	C	S	.	.	H	α-helix	trans	-68.8	-40.7	176.1	-77.1	-50.9	0	0	0	111.9	K27 K28 S29 K33 F35 Y50 I54 E57	K27-Y31 HydrophobicContact CB-CD2 3.96Å; K27-Y31 HydrophobicContact CB-CE2 3.72Å; K27-Y31 HydrophobicContact CD-CE2 4.29Å; K27-Y31 HydrophobicContact CG-CE2 4.23Å; K27-Y31 WeakPolarHBondContact O-CA 3.04Å; K27-Y31 WeakPolarHBondContact O-CB 3.28Å; K27-Y31 WeakPolarHBondContact O-CD2 3.28Å; K27-Y31 PolarHBondContact O-N 2.64Å; K28-Y31 PolarHBondContact O-N 3.12Å; S29-Y31 VanDerWaalsContact C-N 3.25Å; S29-Y31 PolarHBondContact O-N 3.37Å; Y31-K33 VanDerWaalsContact C-N 3.33Å; Y31-F35 WeakPolarHBondContact O-CA 3.27Å; Y31-F35 WeakPolarHBondContact O-CB 3.29Å; Y31-F35 PolarHBondContact O-N 2.97Å; Y31-Y50 VanDerWaalsContact CD1-OH 3.26Å; Y31-Y50 WeakPolarHBondContact CD1-OH 3.35Å; Y31-I54 HydrophobicContact CD1-CD1 3.55Å; Y31-I54 HydrophobicContact CD1-CG1 4.2Å; Y31-I54 HydrophobicContact CD2-CD1 4.39Å; Y31-I54 HydrophobicContact CD2-CG2 3.83Å; Y31-I54 HydrophobicContact CE1-CD1 3.78Å; Y31-I54 HydrophobicContact CE1-CG1 3.96Å; Y31-I54 HydrophobicContact CE2-CG1 4.36Å; Y31-I54 HydrophobicContact CE2-CG2 3.9Å; Y31-I54 HydrophobicContact CG-CD1 3.9Å; Y31-I54 HydrophobicContact CG-CG2 4.31Å; Y31-E57 WeakPolarHBondContact CE2-OE2 3.37Å; Y31-E57 PolarHBondContact OH-OE2 3.31Å
32	W	53.9	Low	56.2	Low	131 Å²	131	88.6 Å²	88.6	50%	0.496	44%	0.441	S	S	.	.	H	α-helix	trans	-66.6	-39.1	175	-90.1	108.6	0	0	0	111.6	K28 S29 F35 N36	K28-W32 VanDerWaalsContact O-CD1 3.29Å; K28-W32 PolarHBondContact O-N 3.44Å; S29-W32 PolarHBondContact O-N 3.3Å; W32-F35 HydrophobicContact CE3-CD1 4.42Å; W32-F35 HydrophobicContact CZ3-CD1 4.3Å; W32-F35 PolarHBondContact O-N 3.17Å; W32-N36 WeakPolarHBondContact O-CB 3.32Å; W32-N36 PolarHBondContact O-N 3.06Å; W32-N36 PolarHBondContact O-ND2 3.08Å
33	K	57.1	Low	57.5	Low	135 Å²	135	88.8 Å²	88.8	59%	0.587	45%	0.446	S	S	*	.	H	α-helix	trans	-64.1	-50.3	175	-159.4	176.5	-175.3	178.4	0	110.9	S29 D30 Y31 N36 E37	S29-K33 WeakPolarHBondContact O-CB 3.49Å; S29-K33 PolarHBondContact O-N 2.99Å; D30-K33 PolarHBondContact O-N 3.08Å; Y31-K33 VanDerWaalsContact C-N 3.33Å; K33-N36 PolarHBondContact O-N 3.16Å; K33-E37 PolarHBondContact O-N 3.42Å
34	N	56.4	Low	57.7	Low	69 Å²	69	87 Å²	87	37%	0.369	44%	0.444	S	S	.	.	H	α-helix	trans	-63.6	-41.2	175.7	-73.8	-27	0	0	0	111.3	D30 N36 E37 V38	D30-N34 WeakPolarHBondContact O-CB 3.31Å; D30-N34 PolarHBondContact O-N 3.34Å; D30-N34 PolarHBondContact O-ND2 3.39Å; D30-N34 VanDerWaalsContact O-ND2 3.13Å; N34-N36 VanDerWaalsContact C-N 3.31Å; N34-N36 PolarHBondContact O-N 3.26Å; N34-E37 CarbonylContact O-C 3.57Å; N34-E37 PolarHBondContact O-N 2.87Å; N34-E37 VanDerWaalsContact O-N 3.13Å; N34-V38 HydrophobicContact CB-CG2 4.47Å; N34-V38 WeakPolarHBondContact O-CA 3.38Å; N34-V38 WeakPolarHBondContact O-CB 3.26Å; N34-V38 WeakPolarHBondContact O-CG2 3.4Å; N34-V38 PolarHBondContact O-N 3.09Å
35	F	53.7	Low	58.2	Low	39 Å²	39	92 Å²	92	17%	0.171	47%	0.465	C	S	.	.	H	α-helix	trans	-61.2	-43.5	177.7	-176.6	-99.3	0	0	0	110.3	Y31 W32 E37 K39 A47 Y50	Y31-F35 WeakPolarHBondContact O-CA 3.27Å; Y31-F35 WeakPolarHBondContact O-CB 3.29Å; Y31-F35 PolarHBondContact O-N 2.97Å; W32-F35 HydrophobicContact CE3-CD1 4.42Å; W32-F35 HydrophobicContact CZ3-CD1 4.3Å; W32-F35 PolarHBondContact O-N 3.17Å; F35-E37 VanDerWaalsContact C-N 3.32Å; F35-E37 PolarHBondContact O-N 3.02Å; F35-K39 WeakPolarHBondContact O-CB 3.36Å; F35-K39 PolarHBondContact O-N 3.45Å; F35-A47 HydrophobicContact CE2-CB 4.32Å; F35-Y50 HydrophobicContact CD2-CD1 4.2Å; F35-Y50 HydrophobicContact CD2-CE1 4.31Å
36	N	56.3	Low	59.5	Low	96 Å²	96	91.8 Å²	91.8	51%	0.513	46%	0.464	S	S	.	.	H	α-helix	trans	-64	-34.7	175.1	-80.5	-29.7	0	0	0	113.2	W32 K33 N34	W32-N36 WeakPolarHBondContact O-CB 3.32Å; W32-N36 PolarHBondContact O-N 3.06Å; W32-N36 PolarHBondContact O-ND2 3.08Å; K33-N36 PolarHBondContact O-N 3.16Å; N34-N36 VanDerWaalsContact C-N 3.31Å; N34-N36 PolarHBondContact O-N 3.26Å
37	E	57.4	Low	60.1	Low	124 Å²	124	86.5 Å²	86.5	58%	0.579	44%	0.443	S	S	*	.	H	α-helix	trans	-78.5	-48.8	176.7	-70.1	-166.3	173.3	0	0	113	K33 N34 F35 K39 K40	K33-E37 PolarHBondContact O-N 3.42Å; N34-E37 CarbonylContact O-C 3.57Å; N34-E37 PolarHBondContact O-N 2.87Å; N34-E37 VanDerWaalsContact O-N 3.13Å; F35-E37 VanDerWaalsContact C-N 3.32Å; F35-E37 PolarHBondContact O-N 3.02Å; E37-K39 VanDerWaalsContact C-N 3.28Å; E37-K39 PolarHBondContact O-N 2.84Å; E37-K40 WeakPolarHBondContact O-CB 3.49Å; E37-K40 PolarHBondContact O-N 2.84Å; E37-K40 VanDerWaalsContact O-N 3.11Å
38	V	54	Low	60.3	Low	60 Å²	60	86.5 Å²	86.5	36%	0.364	45%	0.446	S	S	.	.	H	α-helix	trans	-67.2	-26.4	-179.5	177.9	0	0	0	0	111.7	N34 K40 M42	N34-V38 HydrophobicContact CB-CG2 4.47Å; N34-V38 WeakPolarHBondContact O-CA 3.38Å; N34-V38 WeakPolarHBondContact O-CB 3.26Å; N34-V38 WeakPolarHBondContact O-CG2 3.4Å; N34-V38 PolarHBondContact O-N 3.09Å; V38-K40 PolarHBondContact O-N 3.29Å; V38-K40 VanDerWaalsContact O-N 3.07Å; V38-M42 HydrophobicContact CG1-CE 3.67Å; V38-M42 HydrophobicContact CG1-CG 3.85Å; V38-M42 HydrophobicContact CG1-SD 3.52Å; V38-M42 VanDerWaalsContact CG1-SD 3.52Å
39	K	54.9	Low	61.1	Low	85 Å²	85	87.2 Å²	87.2	37%	0.37	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-25.7	169.4	178.4	-178.8	-176.6	-179.3	0	112.5	F35 E37 G41	F35-K39 WeakPolarHBondContact O-CB 3.36Å; F35-K39 PolarHBondContact O-N 3.45Å; E37-K39 VanDerWaalsContact C-N 3.28Å; E37-K39 PolarHBondContact O-N 2.84Å; K39-G41 PolarHBondContact O-N 3.09Å
40	K	63.3	Low	61.7	Low	187 Å²	187	85.8 Å²	85.8	81%	0.813	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	67.3	171.3	-62.4	179.5	-178.4	170.1	0	110.7	E37 V38	E37-K40 WeakPolarHBondContact O-CB 3.49Å; E37-K40 PolarHBondContact O-N 2.84Å; E37-K40 VanDerWaalsContact O-N 3.11Å; V38-K40 PolarHBondContact O-N 3.29Å; V38-K40 VanDerWaalsContact O-N 3.07Å
41	G	64.6	Low	61.9	Low	75 Å²	75	85.3 Å²	85.3	77%	0.773	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	142.4	-13.9	170.9	0	0	0	0	0	116	K39	K39-G41 PolarHBondContact O-N 3.09Å
42	M	67.8	Low	62.1	Low	72 Å²	72	91.1 Å²	91.1	36%	0.355	45%	0.453	S	S	.	.			trans	-75.4	144.2	177.1	-90	-169.4	164.8	0	0	113	V38 D46	V38-M42 HydrophobicContact CG1-CE 3.67Å; V38-M42 HydrophobicContact CG1-CG 3.85Å; V38-M42 HydrophobicContact CG1-SD 3.52Å; V38-M42 VanDerWaalsContact CG1-SD 3.52Å; M42-D46 HydrophobicContact CB-CB 4.33Å; M42-D46 HydrophobicContact CE-CB 4.24Å; M42-D46 HydrophobicContact CG-CB 4.03Å; M42-D46 HydrophobicContact SD-CB 4.12Å
43	T	71.9	Confident	62.7	Low	78 Å²	78	91.4 Å²	91.4	48%	0.479	46%	0.46	S	S	.	.			trans	-76.8	157.9	165.8	73.8	0	0	0	0	110.2	K45 D46 A47	T43-K45 PolarHBondContact O-N 3.44Å; T43-K45 VanDerWaalsContact O-N 3.16Å; T43-D46 WeakPolarHBondContact CB-OD2 3.2Å; T43-D46 PolarHBondContact N-OD2 3.04Å; T43-D46 PolarHBondContact O-N 2.65Å; T43-D46 PolarHBondContact OG1-N 3.1Å; T43-D46 PolarHBondContact OG1-OD2 3.26Å; T43-A47 PolarHBondContact O-N 2.8Å
44	V	62.7	Low	62.8	Low	74 Å²	74	85.5 Å²	85.5	45%	0.448	44%	0.435	S	S	.	.	H	α-helix	trans	-52.9	-38.2	176.9	177	0	0	0	0	111.5	A47 L48 L151	V44-A47 PolarHBondContact O-N 3.25Å; V44-L48 HydrophobicContact CG1-CD1 3.99Å; V44-L48 HydrophobicContact CG1-CG 4.45Å; V44-L48 WeakPolarHBondContact O-CB 3.18Å; V44-L48 VanDerWaalsContact O-CG 3.29Å; V44-L48 WeakPolarHBondContact O-CG 3.45Å; V44-L48 PolarHBondContact O-N 3.25Å; V44-L151 HydrophobicContact CG2-CB 4.27Å
45	K	68.3	Low	62.6	Low	149 Å²	149	87.4 Å²	87.4	65%	0.648	44%	0.437	S	S	*	.	H	α-helix	trans	-64.3	-43.8	178.3	-172.3	-179.4	177.4	-175.5	0	112.1	T43 L48 I49	T43-K45 PolarHBondContact O-N 3.44Å; T43-K45 VanDerWaalsContact O-N 3.16Å; K45-L48 PolarHBondContact O-N 2.95Å; K45-I49 HydrophobicContact CG-CD1 4.25Å; K45-I49 WeakPolarHBondContact O-CG1 3.48Å; K45-I49 PolarHBondContact O-N 3.14Å
46	D	72.3	Confident	62.8	Low	69 Å²	69	88.6 Å²	88.6	37%	0.369	46%	0.46	S	S	.	.	H	α-helix	trans	-67.9	-41.7	179.2	-56	-42.1	0	0	0	111	M42 T43 L48 I49 Y50	M42-D46 HydrophobicContact CB-CB 4.33Å; M42-D46 HydrophobicContact CE-CB 4.24Å; M42-D46 HydrophobicContact CG-CB 4.03Å; M42-D46 HydrophobicContact SD-CB 4.12Å; T43-D46 WeakPolarHBondContact CB-OD2 3.2Å; T43-D46 PolarHBondContact N-OD2 3.04Å; T43-D46 PolarHBondContact O-N 2.65Å; T43-D46 PolarHBondContact OG1-N 3.1Å; T43-D46 PolarHBondContact OG1-OD2 3.26Å; D46-L48 VanDerWaalsContact C-N 3.29Å; D46-L48 PolarHBondContact O-N 3.45Å; D46-I49 PolarHBondContact O-N 3.31Å; D46-Y50 WeakPolarHBondContact O-CB 3.44Å; D46-Y50 PolarHBondContact O-N 3.04Å
47	A	65.2	Low	62.7	Low	21 Å²	21	86.8 Å²	86.8	17%	0.174	45%	0.449	C	S	.	.	H	α-helix	trans	-59.3	-40.8	173.7	0	0	0	0	0	111.6	F35 T43 V44 W51	F35-A47 HydrophobicContact CE2-CB 4.32Å; T43-A47 PolarHBondContact O-N 2.8Å; V44-A47 PolarHBondContact O-N 3.25Å; A47-W51 WeakPolarHBondContact O-CB 3.47Å; A47-W51 PolarHBondContact O-N 3.48Å
48	L	61.5	Low	62.6	Low	68 Å²	68	82.5 Å²	82.5	36%	0.356	43%	0.428	S	S	.	.	H	α-helix	trans	-68.3	-39	176.3	-77.4	169.7	0	0	0	113.2	V44 K45 D46 W51 K52	V44-L48 HydrophobicContact CG1-CD1 3.99Å; V44-L48 HydrophobicContact CG1-CG 4.45Å; V44-L48 WeakPolarHBondContact O-CB 3.18Å; V44-L48 VanDerWaalsContact O-CG 3.29Å; V44-L48 WeakPolarHBondContact O-CG 3.45Å; V44-L48 PolarHBondContact O-N 3.25Å; K45-L48 PolarHBondContact O-N 2.95Å; D46-L48 VanDerWaalsContact C-N 3.29Å; D46-L48 PolarHBondContact O-N 3.45Å; L48-W51 PolarHBondContact O-N 3.04Å; L48-K52 WeakPolarHBondContact O-CB 3.41Å; L48-K52 PolarHBondContact O-N 3.47Å
49	I	70.1	Confident	62.9	Low	81 Å²	81	86.2 Å²	86.2	42%	0.415	44%	0.44	S	S	.	.	H	α-helix	trans	-63	-49.9	174.7	-70.8	167.6	0	0	0	109.6	K45 D46 W51 K52 E53	K45-I49 HydrophobicContact CG-CD1 4.25Å; K45-I49 WeakPolarHBondContact O-CG1 3.48Å; K45-I49 PolarHBondContact O-N 3.14Å; D46-I49 PolarHBondContact O-N 3.31Å; I49-W51 VanDerWaalsContact C-N 3.32Å; I49-W51 PolarHBondContact O-N 2.9Å; I49-K52 WeakPolarHBondContact O-CB 3.46Å; I49-K52 PolarHBondContact O-N 3.49Å; I49-K52 VanDerWaalsContact O-N 3.1Å; I49-E53 PolarHBondContact O-N 2.94Å
50	Y	65.6	Low	63	Low	48 Å²	48	83.8 Å²	83.8	19%	0.188	43%	0.43	C	S	.	.	H	α-helix	trans	-55.9	-46.4	176.9	-175.6	-109.2	0	0	0	111.6	Y31 F35 D46 K52 E53 I54	Y31-Y50 VanDerWaalsContact CD1-OH 3.26Å; Y31-Y50 WeakPolarHBondContact CD1-OH 3.35Å; F35-Y50 HydrophobicContact CD2-CD1 4.2Å; F35-Y50 HydrophobicContact CD2-CE1 4.31Å; D46-Y50 WeakPolarHBondContact O-CB 3.44Å; D46-Y50 PolarHBondContact O-N 3.04Å; Y50-K52 VanDerWaalsContact C-N 3.34Å; Y50-K52 PolarHBondContact O-N 2.87Å; Y50-E53 PolarHBondContact O-N 3.21Å; Y50-I54 HydrophobicContact CD1-CD1 3.56Å; Y50-I54 HydrophobicContact CD2-CD1 4.31Å; Y50-I54 HydrophobicContact CE1-CD1 3.22Å; Y50-I54 HydrophobicContact CE2-CD1 4.02Å; Y50-I54 HydrophobicContact CG-CD1 4.11Å; Y50-I54 VanDerWaalsContact CZ-CD1 3.49Å; Y50-I54 VanDerWaalsContact O-CG1 3.31Å; Y50-I54 WeakPolarHBondContact O-CG1 3.38Å; Y50-I54 PolarHBondContact O-N 3.12Å
51	W	62.4	Low	62.7	Low	80 Å²	80	78.5 Å²	78.5	30%	0.303	41%	0.41	S	S	.	.	H	α-helix	trans	-64.9	-37.1	177.5	-133.4	97.5	0	0	0	112.8	A47 L48 I49 E53 I54 R55 F58 W139	A47-W51 WeakPolarHBondContact O-CB 3.47Å; A47-W51 PolarHBondContact O-N 3.48Å; L48-W51 PolarHBondContact O-N 3.04Å; I49-W51 VanDerWaalsContact C-N 3.32Å; I49-W51 PolarHBondContact O-N 2.9Å; W51-E53 VanDerWaalsContact C-N 3.34Å; W51-I54 PolarHBondContact O-N 2.97Å; W51-R55 HydrophobicContact CE3-CB 4.31Å; W51-R55 HydrophobicContact CZ3-CB 4.27Å; W51-R55 HydrophobicContact CZ3-CG 4.47Å; W51-R55 PolarHBondContact O-N 3.42Å; W51-F58 HydrophobicContact CH2-CE2 4.36Å; W51-W139 AromaticContact CH2-CH2 3.65Å; W51-W139 HydrophobicContact CH2-CH2 3.65Å; W51-W139 HydrophobicContact CH2-CZ2 4.4Å; W51-W139 HydrophobicContact CH2-CZ3 4.31Å; W51-W139 HydrophobicContact CZ2-CH2 4.14Å; W51-W139 HydrophobicContact CZ3-CH2 4.38Å
52	K	65.2	Low	62.7	Low	173 Å²	173	80.2 Å²	80.2	75%	0.752	40%	0.399	S	S	*	.	H	α-helix	trans	-65.3	-38.4	177.3	-168	-178.8	-179.7	-176	0	111.7	L48 I49 Y50	L48-K52 WeakPolarHBondContact O-CB 3.41Å; L48-K52 PolarHBondContact O-N 3.47Å; I49-K52 WeakPolarHBondContact O-CB 3.46Å; I49-K52 PolarHBondContact O-N 3.49Å; I49-K52 VanDerWaalsContact O-N 3.1Å; Y50-K52 VanDerWaalsContact C-N 3.34Å; Y50-K52 PolarHBondContact O-N 2.87Å
53	E	65.8	Low	62.7	Low	137 Å²	137	80.1 Å²	80.1	64%	0.64	40%	0.397	S	S	*	.	H	α-helix	trans	-64.2	-45.9	173.9	-72.1	178.7	170.4	0	0	111.1	I49 Y50 W51 R55 G56	I49-E53 PolarHBondContact O-N 2.94Å; Y50-E53 PolarHBondContact O-N 3.21Å; W51-E53 VanDerWaalsContact C-N 3.34Å; E53-R55 VanDerWaalsContact C-N 3.35Å; E53-R55 PolarHBondContact O-N 2.9Å; E53-G56 PolarHBondContact O-N 3.29Å
54	I	58.4	Low	62.4	Low	11 Å²	11	78.4 Å²	78.4	6%	0.056	39%	0.391	C	S	.	.	H	α-helix	trans	-70.1	-30.4	-179	-60.1	168.8	0	0	0	111.9	Y31 Y50 W51 G56 E57 F58	Y31-I54 HydrophobicContact CD1-CD1 3.55Å; Y31-I54 HydrophobicContact CD1-CG1 4.2Å; Y31-I54 HydrophobicContact CD2-CD1 4.39Å; Y31-I54 HydrophobicContact CD2-CG2 3.83Å; Y31-I54 HydrophobicContact CE1-CD1 3.78Å; Y31-I54 HydrophobicContact CE1-CG1 3.96Å; Y31-I54 HydrophobicContact CE2-CG1 4.36Å; Y31-I54 HydrophobicContact CE2-CG2 3.9Å; Y31-I54 HydrophobicContact CG-CD1 3.9Å; Y31-I54 HydrophobicContact CG-CG2 4.31Å; Y50-I54 HydrophobicContact CD1-CD1 3.56Å; Y50-I54 HydrophobicContact CD2-CD1 4.31Å; Y50-I54 HydrophobicContact CE1-CD1 3.22Å; Y50-I54 HydrophobicContact CE2-CD1 4.02Å; Y50-I54 HydrophobicContact CG-CD1 4.11Å; Y50-I54 VanDerWaalsContact CZ-CD1 3.49Å; Y50-I54 VanDerWaalsContact O-CG1 3.31Å; Y50-I54 WeakPolarHBondContact O-CG1 3.38Å; Y50-I54 PolarHBondContact O-N 3.12Å; W51-I54 PolarHBondContact O-N 2.97Å; I54-G56 PolarHBondContact O-N 3.37Å; I54-E57 WeakPolarHBondContact O-CA 3.4Å; I54-E57 VanDerWaalsContact O-CB 3.25Å; I54-E57 WeakPolarHBondContact O-CB 3.31Å; I54-E57 PolarHBondContact O-N 3.13Å; I54-F58 HydrophobicContact CB-CE2 4.34Å; I54-F58 HydrophobicContact CG2-CD2 4.22Å; I54-F58 HydrophobicContact CG2-CE1 4.26Å; I54-F58 HydrophobicContact CG2-CE2 3.38Å; I54-F58 HydrophobicContact CG2-CZ 3.4Å
55	R	52.3	Low	62.7	Low	109 Å²	109	76.7 Å²	76.7	41%	0.411	38%	0.379	S	S	.	.	H	α-helix	trans	-58	-34.7	178.7	-172.9	-179.8	177.2	-174.6	-0.2	113	W51 E53 E57 F58 E62	W51-R55 HydrophobicContact CE3-CB 4.31Å; W51-R55 HydrophobicContact CZ3-CB 4.27Å; W51-R55 HydrophobicContact CZ3-CG 4.47Å; W51-R55 PolarHBondContact O-N 3.42Å; E53-R55 VanDerWaalsContact C-N 3.35Å; E53-R55 PolarHBondContact O-N 2.9Å; R55-E57 PolarHBondContact O-N 2.96Å; R55-F58 PolarHBondContact O-N 2.83Å; R55-E62 IonicContact CZ-OE1 3.36Å; R55-E62 IonicContact NE-OE1 2.88Å; R55-E62 IonicContact NH2-OE1 3.37Å; R55-E62 PolarHBondContact NH2-OE1 2.87Å; R55-E62 VanDerWaalsContact NH2-OE1 3.07Å
56	G	58.9	Low	62.9	Low	64 Å²	64	74.4 Å²	74.4	66%	0.66	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-57.7	-27.2	173.6	0	0	0	0	0	112.7	E53 I54	E53-G56 PolarHBondContact O-N 3.29Å; I54-G56 PolarHBondContact O-N 3.37Å
57	E	54.1	Low	63	Low	58 Å²	58	73.9 Å²	73.9	27%	0.271	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-86.4	0.7	176.5	-48.5	-162.8	138.7	0	0	113.8	K27 Y31 I54 R55	K27-E57 IonicContact NZ-OE1 3.84Å; K27-E57 PolarHBondContact NZ-OE1 3.06Å; K27-E57 IonicContact NZ-OE2 2.78Å; K27-E57 PolarHBondContact NZ-OE2 2.83Å; Y31-E57 WeakPolarHBondContact CE2-OE2 3.37Å; Y31-E57 PolarHBondContact OH-OE2 3.31Å; I54-E57 WeakPolarHBondContact O-CA 3.4Å; I54-E57 VanDerWaalsContact O-CB 3.25Å; I54-E57 WeakPolarHBondContact O-CB 3.31Å; I54-E57 PolarHBondContact O-N 3.13Å; R55-E57 PolarHBondContact O-N 2.96Å
58	F	55.3	Low	63.4	Low	34 Å²	34	73.5 Å²	73.5	15%	0.149	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-105.5	15.4	179.2	-66.4	-48.2	0	0	0	114.3	K28 W51 I54 R55 L60 L61 E62	K28-F58 HydrophobicContact CB-CE1 4.02Å; K28-F58 HydrophobicContact CD-CD1 4.47Å; K28-F58 HydrophobicContact CD-CE1 3.76Å; K28-F58 HydrophobicContact CD-CZ 4.38Å; K28-F58 HydrophobicContact CG-CE1 3.69Å; K28-F58 HydrophobicContact CG-CZ 4.04Å; W51-F58 HydrophobicContact CH2-CE2 4.36Å; I54-F58 HydrophobicContact CB-CE2 4.34Å; I54-F58 HydrophobicContact CG2-CD2 4.22Å; I54-F58 HydrophobicContact CG2-CE1 4.26Å; I54-F58 HydrophobicContact CG2-CE2 3.38Å; I54-F58 HydrophobicContact CG2-CZ 3.4Å; R55-F58 PolarHBondContact O-N 2.83Å; F58-L60 VanDerWaalsContact C-N 3.25Å; F58-L60 PolarHBondContact O-N 3.47Å; F58-L61 WeakPolarHBondContact O-CB 3.26Å; F58-L61 PolarHBondContact O-N 2.94Å; F58-E62 PolarHBondContact O-N 2.86Å
59	K	60.6	Low	64.2	Low	138 Å²	138	72.8 Å²	72.8	60%	0.6	36%	0.355	S	S	*	.	H	α-helix	trans	-59.5	-35.5	-177.7	-163.3	177.9	177.5	-171.5	0	112.4	L61 E62 E63	K59-L61 VanDerWaalsContact C-N 3.26Å; K59-L61 PolarHBondContact O-N 3.4Å; K59-E62 PolarHBondContact O-N 3.08Å; K59-E63 PolarHBondContact O-N 3.46Å; K59-E63 VanDerWaalsContact O-N 3.14Å
60	L	57.1	Low	64.8	Low	34 Å²	34	71.6 Å²	71.6	18%	0.178	35%	0.349	C	S	.	.	H	α-helix	trans	-64.5	-29.5	175.7	-61.4	-178	0	0	0	112.7	M21 E24 F58 E63 A64	M21-L60 HydrophobicContact CB-CD1 3.98Å; M21-L60 HydrophobicContact CG-CD1 4.1Å; E24-L60 VanDerWaalsContact CD-CD1 3.49Å; E24-L60 HydrophobicContact CG-CD1 4.43Å; E24-L60 WeakPolarHBondContact OE1-CD1 3.49Å; E24-L60 WeakPolarHBondContact OE2-CB 3.42Å; E24-L60 WeakPolarHBondContact OE2-CD1 3.43Å; E24-L60 WeakPolarHBondContact OE2-CG 3.23Å; F58-L60 VanDerWaalsContact C-N 3.25Å; F58-L60 PolarHBondContact O-N 3.47Å; L60-E63 WeakPolarHBondContact O-CB 3.31Å; L60-E63 PolarHBondContact O-N 2.93Å; L60-A64 WeakPolarHBondContact O-CB 3.36Å; L60-A64 PolarHBondContact O-N 3.42Å
61	L	57	Low	65.5	Low	75 Å²	75	71.3 Å²	71.3	39%	0.393	35%	0.35	S	S	.	.	H	α-helix	trans	-73.3	-35.7	178.2	-154.4	84.7	0	0	0	112.1	F58 K59 E63 A64 N65	F58-L61 WeakPolarHBondContact O-CB 3.26Å; F58-L61 PolarHBondContact O-N 2.94Å; K59-L61 VanDerWaalsContact C-N 3.26Å; K59-L61 PolarHBondContact O-N 3.4Å; L61-E63 VanDerWaalsContact C-N 3.34Å; L61-A64 PolarHBondContact O-N 3.22Å; L61-N65 PolarHBondContact O-N 2.9Å; L61-N65 VanDerWaalsContact O-N 3.11Å; L61-N65 PolarHBondContact O-ND2 3.25Å; L61-N65 VanDerWaalsContact O-ND2 3.09Å
62	E	64.8	Low	66.4	Low	112 Å²	112	67.5 Å²	67.5	52%	0.523	34%	0.336	S	S	.	.	H	α-helix	trans	-65.4	-40.3	171.6	-74.4	-176.2	177.7	0	0	110.4	R55 F58 K59 N65 H66	R55-E62 IonicContact CZ-OE1 3.36Å; R55-E62 IonicContact NE-OE1 2.88Å; R55-E62 IonicContact NH2-OE1 3.37Å; R55-E62 PolarHBondContact NH2-OE1 2.87Å; R55-E62 VanDerWaalsContact NH2-OE1 3.07Å; F58-E62 PolarHBondContact O-N 2.86Å; K59-E62 PolarHBondContact O-N 3.08Å; E62-N65 PolarHBondContact O-N 3.25Å; E62-H66 WeakPolarHBondContact O-CB 3.28Å; E62-H66 PolarHBondContact O-N 3.36Å
63	E	67.7	Low	67.5	Low	70 Å²	70	64.4 Å²	64.4	33%	0.327	32%	0.319	S	S	.	.	H	α-helix	trans	-61.5	-44.2	172.5	-70.5	177.6	-167.7	0	0	112.2	R17 K59 L60 L61 N65 H66 N67	R17-E63 IonicContact NH2-OE2 2.67Å; R17-E63 PolarHBondContact NH2-OE2 3.23Å; K59-E63 PolarHBondContact O-N 3.46Å; K59-E63 VanDerWaalsContact O-N 3.14Å; L60-E63 WeakPolarHBondContact O-CB 3.31Å; L60-E63 PolarHBondContact O-N 2.93Å; L61-E63 VanDerWaalsContact C-N 3.34Å; E63-N65 PolarHBondContact O-N 3.47Å; E63-H66 WeakPolarHBondContact O-CB 3.17Å; E63-H66 PolarHBondContact O-N 2.92Å; E63-H66 VanDerWaalsContact O-N 3.14Å; E63-N67 PolarHBondContact O-N 2.89Å; E63-N67 PolarHBondContact O-OD1 2.88Å
64	A	65.9	Low	68.4	Low	41 Å²	41	63.6 Å²	63.6	34%	0.339	31%	0.313	S	S	.	.	H	α-helix	trans	-61.8	-42.8	178.3	0	0	0	0	0	112.6	L60 L61 H66 N67 M68	L60-A64 WeakPolarHBondContact O-CB 3.36Å; L60-A64 PolarHBondContact O-N 3.42Å; L61-A64 PolarHBondContact O-N 3.22Å; A64-H66 VanDerWaalsContact C-N 3.31Å; A64-H66 PolarHBondContact O-N 2.85Å; A64-N67 PolarHBondContact O-N 2.02Å; A64-M68 WeakPolarHBondContact O-CB 3.39Å; A64-M68 PolarHBondContact O-N 2.95Å
65	N	68.3	Low	69.6	Low	39 Å²	39	65.9 Å²	65.9	21%	0.209	32%	0.321	C	S	.	.	H	α-helix	trans	-65.2	-36.8	174.4	-70.9	-43.6	0	0	0	111.7	L61 E62 E63 M68 R69 I132	L61-N65 PolarHBondContact O-N 2.9Å; L61-N65 VanDerWaalsContact O-N 3.11Å; L61-N65 PolarHBondContact O-ND2 3.25Å; L61-N65 VanDerWaalsContact O-ND2 3.09Å; E62-N65 PolarHBondContact O-N 3.25Å; E63-N65 PolarHBondContact O-N 3.47Å; N65-M68 PolarHBondContact O-N 3.11Å; N65-R69 WeakPolarHBondContact O-CG 3.07Å; N65-R69 PolarHBondContact O-N 2.89Å; N65-I132 HydrophobicContact CB-CG2 4.45Å
66	H	72.3	Confident	71.2	Confident	101 Å²	101	61.2 Å²	61.2	47%	0.468	30%	0.304	S	S	.	.	H	α-helix	trans	-64	-47.6	176.4	-173.1	54.2	0	0	0	111.6	E62 E63 A64 M68 R69 D70	E62-H66 WeakPolarHBondContact O-CB 3.28Å; E62-H66 PolarHBondContact O-N 3.36Å; E63-H66 WeakPolarHBondContact O-CB 3.17Å; E63-H66 PolarHBondContact O-N 2.92Å; E63-H66 VanDerWaalsContact O-N 3.14Å; A64-H66 VanDerWaalsContact C-N 3.31Å; A64-H66 PolarHBondContact O-N 2.85Å; H66-M68 VanDerWaalsContact C-N 3.33Å; H66-M68 PolarHBondContact O-N 2.93Å; H66-R69 WeakPolarHBondContact O-CB 3.39Å; H66-R69 PolarHBondContact O-N 3.43Å; H66-D70 IonicContact CE1-OD2 3.5Å; H66-D70 IonicContact NE2-OD2 3.57Å; H66-D70 PolarHBondContact O-N 3.17Å
67	N	74.2	Confident	72.6	Confident	58 Å²	58	63.6 Å²	63.6	31%	0.31	30%	0.298	S	S	.	.	H	α-helix	trans	-60.1	-44.1	176.4	-66.6	-9.8	0	0	0	111.3	E63 A64 R69 D70 E71 M246	E63-N67 PolarHBondContact O-N 2.89Å; E63-N67 PolarHBondContact O-OD1 2.88Å; A64-N67 PolarHBondContact O-N 2.02Å; N67-R69 VanDerWaalsContact C-N 3.33Å; N67-R69 PolarHBondContact O-N 2.79Å; N67-D70 PolarHBondContact O-N 3.23Å; N67-E71 WeakPolarHBondContact O-CG 3.42Å; N67-E71 PolarHBondContact O-N 2.91Å; N67-M246 WeakPolarHBondContact CB-O 3.43Å
68	M	74.4	Confident	74.2	Confident	13 Å²	13	67.4 Å²	67.4	6%	0.064	31%	0.314	C	S	.	.	H	α-helix	trans	-60.7	-40.5	177	-170.9	176.2	179.1	0	0	112.2	A64 N65 H66 E71 L72 L128 I132 L168 L249	A64-M68 WeakPolarHBondContact O-CB 3.39Å; A64-M68 PolarHBondContact O-N 2.95Å; N65-M68 PolarHBondContact O-N 3.11Å; H66-M68 VanDerWaalsContact C-N 3.33Å; H66-M68 PolarHBondContact O-N 2.93Å; M68-E71 PolarHBondContact O-N 3.25Å; M68-L72 HydrophobicContact CE-CD1 4.39Å; M68-L72 HydrophobicContact CG-CD1 4.08Å; M68-L72 WeakPolarHBondContact O-CB 3.1Å; M68-L72 WeakPolarHBondContact O-CD1 3.38Å; M68-L72 WeakPolarHBondContact O-CG 3.47Å; M68-L72 PolarHBondContact O-N 3.15Å; M68-L128 HydrophobicContact CE-CD2 4.24Å; M68-I132 HydrophobicContact CB-CD1 4.31Å; M68-I132 HydrophobicContact CE-CD1 3.97Å; M68-I132 HydrophobicContact CG-CD1 3.75Å; M68-I132 HydrophobicContact SD-CD1 3.64Å; M68-L168 HydrophobicContact CE-CD2 4.08Å; M68-L168 HydrophobicContact SD-CD2 4.39Å; M68-L249 HydrophobicContact CE-CB 4.23Å; M68-L249 HydrophobicContact CE-CD1 4.31Å; M68-L249 HydrophobicContact CG-CB 4.24Å
69	R	78.5	Confident	75.6	Confident	52 Å²	52	66.6 Å²	66.6	20%	0.196	31%	0.314	C	S	.	.	H	α-helix	trans	-60.7	-46.1	174	-77	178.7	168.8	148.9	8.8	112	N65 H66 N67 E71 L72 R73 L129 I132 D133	N65-R69 WeakPolarHBondContact O-CG 3.07Å; N65-R69 PolarHBondContact O-N 2.89Å; H66-R69 WeakPolarHBondContact O-CB 3.39Å; H66-R69 PolarHBondContact O-N 3.43Å; N67-R69 VanDerWaalsContact C-N 3.33Å; N67-R69 PolarHBondContact O-N 2.79Å; R69-E71 VanDerWaalsContact C-N 3.33Å; R69-L72 PolarHBondContact O-N 3.29Å; R69-R73 WeakPolarHBondContact O-CB 3.29Å; R69-R73 VanDerWaalsContact O-CG 3.28Å; R69-R73 WeakPolarHBondContact O-CG 3.29Å; R69-R73 PolarHBondContact O-N 2.87Å; R69-L129 HydrophobicContact CB-CD1 4.11Å; R69-L129 HydrophobicContact CG-CD1 3.89Å; R69-I132 HydrophobicContact CG-CB 4.43Å; R69-I132 HydrophobicContact CG-CG2 3.73Å; R69-I132 PolarHBondContact NH2-O 3.34Å; R69-D133 IonicContact CZ-OD1 3.96Å; R69-D133 VanDerWaalsContact CZ-OD1 3.28Å; R69-D133 IonicContact NE-OD1 3.66Å; R69-D133 PolarHBondContact NE-OD1 3Å; R69-D133 IonicContact NH2-OD1 3.74Å; R69-D133 PolarHBondContact NH2-OD1 3.42Å
70	D	82.2	Confident	77	Confident	56 Å²	56	60.9 Å²	60.9	30%	0.299	29%	0.289	S	S	.	.	H	α-helix	trans	-65.5	-39.5	-177.6	-77.2	-7	0	0	0	111.4	H66 N67 R73 K74	H66-D70 IonicContact CE1-OD2 3.5Å; H66-D70 IonicContact NE2-OD2 3.57Å; H66-D70 PolarHBondContact O-N 3.17Å; N67-D70 PolarHBondContact O-N 3.23Å; D70-R73 PolarHBondContact O-N 3.13Å; D70-K74 VanDerWaalsContact O-CG 3.29Å; D70-K74 WeakPolarHBondContact O-CG 3.39Å; D70-K74 PolarHBondContact O-N 2.88Å
71	E	79.5	Confident	78.5	Confident	43 Å²	43	65.5 Å²	65.5	20%	0.201	30%	0.304	C	S	.	.	H	α-helix	trans	-68.7	-43.5	176.4	-71.2	-58.6	142.6	0	0	112.9	N67 M68 R69 R73 K74 R75 D250	N67-E71 WeakPolarHBondContact O-CG 3.42Å; N67-E71 PolarHBondContact O-N 2.91Å; M68-E71 PolarHBondContact O-N 3.25Å; R69-E71 VanDerWaalsContact C-N 3.33Å; E71-R73 VanDerWaalsContact C-N 3.29Å; E71-R73 PolarHBondContact O-N 3.49Å; E71-K74 PolarHBondContact O-N 3.17Å; E71-K74 IonicContact OE1-NZ 2.77Å; E71-K74 PolarHBondContact OE1-NZ 3.34Å; E71-R75 WeakPolarHBondContact O-CG 3.48Å; E71-R75 PolarHBondContact O-N 3.17Å; E71-D250 WeakPolarHBondContact CG-OD2 3.37Å
72	L	82.5	Confident	79.9	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-57.3	-44.5	172.3	-72.8	169.1	0	0	0	111.2	M68 R69 R75 I76 L128 L129 I132 L249	M68-L72 HydrophobicContact CE-CD1 4.39Å; M68-L72 HydrophobicContact CG-CD1 4.08Å; M68-L72 WeakPolarHBondContact O-CB 3.1Å; M68-L72 WeakPolarHBondContact O-CD1 3.38Å; M68-L72 WeakPolarHBondContact O-CG 3.47Å; M68-L72 PolarHBondContact O-N 3.15Å; R69-L72 PolarHBondContact O-N 3.29Å; L72-R75 PolarHBondContact O-N 2.95Å; L72-I76 WeakPolarHBondContact O-CB 3.08Å; L72-I76 WeakPolarHBondContact O-CD1 3.43Å; L72-I76 VanDerWaalsContact O-CG1 3.25Å; L72-I76 WeakPolarHBondContact O-CG1 3.12Å; L72-I76 PolarHBondContact O-N 3.5Å; L72-L128 HydrophobicContact CD1-CB 3.98Å; L72-L128 HydrophobicContact CD2-CB 4.26Å; L72-L129 HydrophobicContact CB-CB 4.37Å; L72-L129 HydrophobicContact CB-CD1 4.41Å; L72-L129 HydrophobicContact CD1-CB 4.09Å; L72-L129 HydrophobicContact CD1-CD1 4.44Å; L72-I132 HydrophobicContact CD1-CD1 3.57Å; L72-L249 HydrophobicContact CD2-CD1 4.39Å; L72-L249 HydrophobicContact CD2-CD2 3.31Å; L72-L249 HydrophobicContact CD2-CG 4.49Å; L72-L249 HydrophobicContact CG-CD2 3.67Å
73	R	86.9	Confident	81	Confident	107 Å²	107	61.8 Å²	61.8	40%	0.404	29%	0.292	S	S	.	.	H	α-helix	trans	-63.7	-42.7	176	-75.4	174.3	-174.6	170.2	0.3	112.1	R69 D70 E71 R75 I76 H77 L129	R69-R73 WeakPolarHBondContact O-CB 3.29Å; R69-R73 VanDerWaalsContact O-CG 3.28Å; R69-R73 WeakPolarHBondContact O-CG 3.29Å; R69-R73 PolarHBondContact O-N 2.87Å; D70-R73 PolarHBondContact O-N 3.13Å; E71-R73 VanDerWaalsContact C-N 3.29Å; E71-R73 PolarHBondContact O-N 3.49Å; R73-R75 VanDerWaalsContact C-N 3.34Å; R73-R75 PolarHBondContact O-N 3.12Å; R73-I76 PolarHBondContact O-N 2.79Å; R73-H77 VanDerWaalsContact O-CB 3.29Å; R73-H77 WeakPolarHBondContact O-CB 3.45Å; R73-H77 PolarHBondContact O-CD2 3.36Å; R73-H77 VanDerWaalsContact O-CG 3.28Å; R73-H77 PolarHBondContact O-N 3.2Å; R73-L129 HydrophobicContact CG-CD2 3.96Å
74	K	86.1	Confident	81.9	Confident	120 Å²	120	62 Å²	62	52%	0.522	29%	0.292	S	S	.	.	H	α-helix	trans	-59.6	-44.2	176.6	-76.6	172.4	-168.2	170.1	0	111.4	D70 E71 H77 K78	D70-K74 VanDerWaalsContact O-CG 3.29Å; D70-K74 WeakPolarHBondContact O-CG 3.39Å; D70-K74 PolarHBondContact O-N 2.88Å; E71-K74 PolarHBondContact O-N 3.17Å; E71-K74 IonicContact OE1-NZ 2.77Å; E71-K74 PolarHBondContact OE1-NZ 3.34Å; K74-H77 PolarHBondContact O-N 3.15Å; K74-K78 WeakPolarHBondContact O-CB 3.4Å; K74-K78 PolarHBondContact O-N 3.07Å
75	R	82.5	Confident	83	Confident	60 Å²	60	66.1 Å²	66.1	23%	0.226	30%	0.304	C	S	.	.	H	α-helix	trans	-62.8	-50.9	177.2	-71.6	173.7	-179.5	-127.8	0.3	112	E71 L72 R73 H77 K78 A79 D250 V253	E71-R75 WeakPolarHBondContact O-CG 3.48Å; E71-R75 PolarHBondContact O-N 3.17Å; L72-R75 PolarHBondContact O-N 2.95Å; R73-R75 VanDerWaalsContact C-N 3.34Å; R73-R75 PolarHBondContact O-N 3.12Å; R75-H77 VanDerWaalsContact C-N 3.33Å; R75-H77 PolarHBondContact O-N 3.28Å; R75-K78 WeakPolarHBondContact O-CB 3.35Å; R75-K78 PolarHBondContact O-N 2.93Å; R75-K78 VanDerWaalsContact O-N 3.13Å; R75-A79 PolarHBondContact O-N 2.68Å; R75-D250 IonicContact NH2-OD1 2.9Å; R75-D250 PolarHBondContact NH2-OD1 3.28Å; R75-D250 VanDerWaalsContact NH2-OD1 3.14Å; R75-V253 VanDerWaalsContact CZ-CG2 3.47Å; R75-V253 VanDerWaalsContact NH2-CB 3.25Å; R75-V253 VanDerWaalsContact NH2-CG1 3.3Å
76	I	86.7	Confident	84.1	Confident	10 Å²	10	66.2 Å²	66.2	5%	0.051	32%	0.315	C	S	.	.	H	α-helix	trans	-55.5	-49	175.8	-72.2	164.9	0	0	0	110.4	L72 R73 K78 A79 E80 E122 F126 L129	L72-I76 WeakPolarHBondContact O-CB 3.08Å; L72-I76 WeakPolarHBondContact O-CD1 3.43Å; L72-I76 VanDerWaalsContact O-CG1 3.25Å; L72-I76 WeakPolarHBondContact O-CG1 3.12Å; L72-I76 PolarHBondContact O-N 3.5Å; R73-I76 PolarHBondContact O-N 2.79Å; I76-K78 VanDerWaalsContact C-N 3.35Å; I76-K78 PolarHBondContact O-N 3.41Å; I76-A79 PolarHBondContact O-N 2.78Å; I76-E80 HydrophobicContact CG2-CG 4.36Å; I76-E80 WeakPolarHBondContact O-CB 3.48Å; I76-E80 WeakPolarHBondContact O-CG 3.37Å; I76-E80 PolarHBondContact O-N 2.94Å; I76-E122 HydrophobicContact CG1-CB 4.39Å; I76-F126 HydrophobicContact CB-CE2 4.43Å; I76-F126 HydrophobicContact CB-CZ 4.24Å; I76-F126 HydrophobicContact CD1-CD1 3.8Å; I76-F126 HydrophobicContact CD1-CD2 4.2Å; I76-F126 HydrophobicContact CD1-CE1 3.96Å; I76-F126 HydrophobicContact CD1-CE2 4.33Å; I76-F126 HydrophobicContact CD1-CG 3.94Å; I76-F126 HydrophobicContact CD1-CZ 4.24Å; I76-F126 HydrophobicContact CG1-CD1 4.42Å; I76-F126 HydrophobicContact CG1-CD2 4.07Å; I76-F126 HydrophobicContact CG1-CE1 4.29Å; I76-F126 HydrophobicContact CG1-CE2 3.91Å; I76-F126 HydrophobicContact CG1-CG 4.33Å; I76-F126 HydrophobicContact CG1-CZ 4.05Å; I76-F126 HydrophobicContact CG2-CE1 3.67Å; I76-F126 HydrophobicContact CG2-CE2 3.82Å; I76-F126 HydrophobicContact CG2-CZ 3.23Å; I76-L129 HydrophobicContact CD1-CD2 3.99Å
77	H	88	Confident	84.8	Confident	115 Å²	115	66.7 Å²	66.7	53%	0.532	32%	0.315	S	S	.	.	H	α-helix	trans	-64.2	-37.1	178.6	-76.2	-38.6	0	0	0	113.1	R73 K74 R75 R81	R73-H77 VanDerWaalsContact O-CB 3.29Å; R73-H77 WeakPolarHBondContact O-CB 3.45Å; R73-H77 PolarHBondContact O-CD2 3.36Å; R73-H77 VanDerWaalsContact O-CG 3.28Å; R73-H77 PolarHBondContact O-N 3.2Å; K74-H77 PolarHBondContact O-N 3.15Å; R75-H77 VanDerWaalsContact C-N 3.33Å; R75-H77 PolarHBondContact O-N 3.28Å; H77-R81 WeakPolarHBondContact O-CB 3.45Å; H77-R81 PolarHBondContact O-N 3.35Å
78	K	87.3	Confident	85.7	Confident	137 Å²	137	63.9 Å²	63.9	60%	0.596	30%	0.3	S	S	*	.	H	α-helix	trans	-62.2	-48.9	174.6	-172.9	-177	177	-175.3	0	110.6	K74 R75 I76 R81 V82	K74-K78 WeakPolarHBondContact O-CB 3.4Å; K74-K78 PolarHBondContact O-N 3.07Å; R75-K78 WeakPolarHBondContact O-CB 3.35Å; R75-K78 PolarHBondContact O-N 2.93Å; R75-K78 VanDerWaalsContact O-N 3.13Å; I76-K78 VanDerWaalsContact C-N 3.35Å; I76-K78 PolarHBondContact O-N 3.41Å; K78-R81 PolarHBondContact O-N 3.29Å; K78-V82 WeakPolarHBondContact O-CG2 3.42Å; K78-V82 PolarHBondContact O-N 3.25Å
79	A	85.1	Confident	86.6	Confident	18 Å²	18	67.9 Å²	67.9	15%	0.149	32%	0.317	C	S	.	.	H	α-helix	trans	-63.6	-46.1	178.2	0	0	0	0	0	112.2	R75 I76 R81 V82 E122	R75-A79 PolarHBondContact O-N 2.68Å; I76-A79 PolarHBondContact O-N 2.78Å; A79-R81 VanDerWaalsContact C-N 3.33Å; A79-R81 PolarHBondContact O-N 2.83Å; A79-V82 PolarHBondContact O-N 3.25Å; A79-E122 HydrophobicContact CB-CG 3.49Å; A79-E122 VanDerWaalsContact CB-CG 3.49Å
80	E	89.5	Confident	87.2	Confident	17 Å²	17	70.6 Å²	70.6	8%	0.079	33%	0.332	C	S	.	.	H	α-helix	trans	-62.2	-39.4	177.2	-75.4	-159.5	150.1	0	0	112.3	I76 C83 K84 M115 R119	I76-E80 HydrophobicContact CG2-CG 4.36Å; I76-E80 WeakPolarHBondContact O-CB 3.48Å; I76-E80 WeakPolarHBondContact O-CG 3.37Å; I76-E80 PolarHBondContact O-N 2.94Å; E80-C83 PolarHBondContact O-N 3.45Å; E80-K84 WeakPolarHBondContact O-CG 3.38Å; E80-K84 PolarHBondContact O-N 3.5Å; E80-K84 IonicContact OE2-NZ 3.97Å; E80-K84 PolarHBondContact OE2-NZ 3.03Å; E80-M115 HydrophobicContact CB-CE 3.64Å; E80-M115 HydrophobicContact CG-CE 3.67Å; E80-R119 IonicContact OE1-CZ 3.6Å; E80-R119 IonicContact OE1-NE 3.5Å; E80-R119 PolarHBondContact OE1-NE 3.42Å; E80-R119 IonicContact OE1-NH2 3.51Å; E80-R119 PolarHBondContact OE1-NH2 2.87Å
81	R	89.3	Confident	87.6	Confident	132 Å²	132	69.4 Å²	69.4	50%	0.498	33%	0.326	S	S	.	.	H	α-helix	trans	-62.4	-44.3	179	175.9	174.1	35.8	152	-3.4	112.2	H77 K78 A79 C83 K84 E85	H77-R81 WeakPolarHBondContact O-CB 3.45Å; H77-R81 PolarHBondContact O-N 3.35Å; K78-R81 PolarHBondContact O-N 3.29Å; A79-R81 VanDerWaalsContact C-N 3.33Å; A79-R81 PolarHBondContact O-N 2.83Å; R81-C83 PolarHBondContact O-N 3.02Å; R81-C83 VanDerWaalsContact O-N 3.12Å; R81-K84 PolarHBondContact O-N 3.39Å; R81-E85 WeakPolarHBondContact CD-OE1 3.4Å; R81-E85 HydrophobicContact CG-CG 4.13Å; R81-E85 VanDerWaalsContact CG-OE1 3.23Å; R81-E85 WeakPolarHBondContact CG-OE1 3.25Å; R81-E85 WeakPolarHBondContact O-CB 3.28Å; R81-E85 WeakPolarHBondContact O-CG 3.46Å; R81-E85 PolarHBondContact O-N 3.48Å
82	V	86.4	Confident	88.1	Confident	99 Å²	99	70.2 Å²	70.2	60%	0.6	33%	0.329	S	S	*	.	H	α-helix	trans	-53.1	-36	175.8	170.7	0	0	0	0	111	K78 A79 G86	K78-V82 WeakPolarHBondContact O-CG2 3.42Å; K78-V82 PolarHBondContact O-N 3.25Å; A79-V82 PolarHBondContact O-N 3.25Å; V82-G86 WeakPolarHBondContact O-CA 3.16Å; V82-G86 PolarHBondContact O-N 3.24Å
83	C	87.1	Confident	88.5	Confident	10 Å²	10	75 Å²	75	7%	0.068	35%	0.35	C	S	.	.	H	α-helix	trans	-84.1	-41.6	179.2	-66.8	0	0	0	0	114.2	E80 R81 E85 G86 K87 C88 M115 C118	E80-C83 PolarHBondContact O-N 3.45Å; R81-C83 PolarHBondContact O-N 3.02Å; R81-C83 VanDerWaalsContact O-N 3.12Å; C83-E85 PolarHBondContact O-N 3.04Å; C83-G86 CarbonylContact O-C 3.42Å; C83-G86 PolarHBondContact O-N 2.9Å; C83-K87 PolarHBondContact O-N 2.88Å; C83-C88 WeakPolarHBondContact O-CA 3.47Å; C83-C88 WeakPolarHBondContact O-CB 3.34Å; C83-C88 PolarHBondContact O-N 3.4Å; C83-M115 HydrophobicContact CB-CE 4.31Å; C83-M115 HydrophobicContact CB-SD 3.8Å; C83-C118 HydrophobicContact CB-CB 3.8Å; C83-C118 WeakPolarHBondContact CB-SG 3Å; C83-C118 WeakPolarHBondContact SG-CB 3.32Å; C83-C118 CovalentContact SG-SG 1.98Å; C83-C118 PolarHBondContact SG-SG 3.33Å
84	K	87.7	Confident	88.7	Confident	75 Å²	75	75.5 Å²	75.5	33%	0.326	36%	0.355	S	S	.	.	H	α-helix	trans	-59.5	-36.6	174.3	-73.5	170.9	-175.8	164.1	0	111.8	E80 R81 K89 M115	E80-K84 WeakPolarHBondContact O-CG 3.38Å; E80-K84 PolarHBondContact O-N 3.5Å; E80-K84 IonicContact OE2-NZ 3.97Å; E80-K84 PolarHBondContact OE2-NZ 3.03Å; R81-K84 PolarHBondContact O-N 3.39Å; K84-K89 WeakPolarHBondContact O-CA 3.44Å; K84-K89 WeakPolarHBondContact O-CB 3.37Å; K84-M115 HydrophobicContact CD-CE 4.45Å; K84-M115 HydrophobicContact CG-CE 3.99Å; K84-M115 HydrophobicContact CG-SD 3.96Å
85	E	89.1	Confident	88.8	Confident	127 Å²	127	70.9 Å²	70.9	59%	0.593	34%	0.336	S	S	*	.	H	α-helix	trans	-91	-18.8	179.3	-65.5	174.9	-178.8	0	0	113.1	R81 C83 K89	R81-E85 WeakPolarHBondContact CD-OE1 3.4Å; R81-E85 HydrophobicContact CG-CG 4.13Å; R81-E85 VanDerWaalsContact CG-OE1 3.23Å; R81-E85 WeakPolarHBondContact CG-OE1 3.25Å; R81-E85 WeakPolarHBondContact O-CB 3.28Å; R81-E85 WeakPolarHBondContact O-CG 3.46Å; R81-E85 PolarHBondContact O-N 3.48Å; C83-E85 PolarHBondContact O-N 3.04Å; E85-K89 WeakPolarHBondContact O-CD 3.42Å
86	G	90.1	Very high	89	Confident	41 Å²	41	73.3 Å²	73.3	42%	0.423	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-114.4	178.8	0	0	0	0	0	112.4	V82 C83 C88 K89	V82-G86 WeakPolarHBondContact O-CA 3.16Å; V82-G86 PolarHBondContact O-N 3.24Å; C83-G86 CarbonylContact O-C 3.42Å; C83-G86 PolarHBondContact O-N 2.9Å; G86-C88 VanDerWaalsContact C-N 3.31Å; G86-C88 PolarHBondContact O-N 3.26Å; G86-K89 WeakPolarHBondContact O-CB 3.49Å; G86-K89 PolarHBondContact O-N 3Å; G86-K89 VanDerWaalsContact O-N 3.13Å
87	K	88.2	Confident	89	Confident	110 Å²	110	76.9 Å²	76.9	48%	0.478	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-29.8	-167.8	67	179.8	-176.8	-172	0	115.1	C83 E117 C118	C83-K87 PolarHBondContact O-N 2.88Å; K87-E117 IonicContact NZ-OE2 2.74Å; K87-E117 PolarHBondContact NZ-OE2 2.74Å; K87-C118 WeakPolarHBondContact CE-SG 3.38Å; K87-C118 PolarHBondContact NZ-SG 3.38Å; K87-C118 VanDerWaalsContact NZ-SG 3.39Å
88	C	92	Very high	88.5	Confident	0 Å²	0	73.8 Å²	73.8	0%	0	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95	4.6	-179.3	-50.8	0	0	0	0	113.1	C83 G86 E90 L91 Q92 C114 M115	C83-C88 WeakPolarHBondContact O-CA 3.47Å; C83-C88 WeakPolarHBondContact O-CB 3.34Å; C83-C88 PolarHBondContact O-N 3.4Å; G86-C88 VanDerWaalsContact C-N 3.31Å; G86-C88 PolarHBondContact O-N 3.26Å; C88-E90 PolarHBondContact O-N 3.5Å; C88-L91 PolarHBondContact O-N 2.88Å; C88-Q92 PolarHBondContact O-N 3.34Å; C88-C114 WeakPolarHBondContact CA-SG 3.42Å; C88-C114 HydrophobicContact CB-CB 4.01Å; C88-C114 WeakPolarHBondContact CB-SG 3.2Å; C88-C114 WeakPolarHBondContact SG-CB 3.42Å; C88-C114 PolarHBondContact SG-O 2.77Å; C88-C114 VanDerWaalsContact SG-O 3.37Å; C88-C114 CovalentContact SG-SG 2.04Å; C88-C114 PolarHBondContact SG-SG 3.49Å; C88-M115 HydrophobicContact CB-SD 4.09Å
89	K	93.1	Very high	88	Confident	96 Å²	96	70.4 Å²	70.4	42%	0.417	38%	0.379	S	S	.	.	H	α-helix	trans	-56.5	-43.2	-174.3	-177.6	-178.3	-170.1	166.1	0	114	K84 E85 G86 Q92 K93	K84-K89 WeakPolarHBondContact O-CA 3.44Å; K84-K89 WeakPolarHBondContact O-CB 3.37Å; E85-K89 WeakPolarHBondContact O-CD 3.42Å; G86-K89 WeakPolarHBondContact O-CB 3.49Å; G86-K89 PolarHBondContact O-N 3Å; G86-K89 VanDerWaalsContact O-N 3.13Å; K89-Q92 PolarHBondContact O-N 3.47Å; K89-K93 WeakPolarHBondContact O-CG 3.45Å; K89-K93 PolarHBondContact O-N 3.37Å
90	E	91.5	Very high	88	Confident	109 Å²	109	74.5 Å²	74.5	51%	0.509	40%	0.398	S	S	.	.	H	α-helix	trans	-70.8	-36.1	-177.6	-64.8	-53	127.5	0	0	112.1	C88 K93 K94	C88-E90 PolarHBondContact O-N 3.5Å; E90-K93 PolarHBondContact O-N 2.93Å; E90-K93 IonicContact OE1-NZ 3.57Å; E90-K93 PolarHBondContact OE1-NZ 3.43Å; E90-K93 IonicContact OE2-NZ 3.13Å; E90-K94 WeakPolarHBondContact O-CG 3.4Å; E90-K94 PolarHBondContact O-N 2.88Å; E90-K94 VanDerWaalsContact O-N 3.13Å
91	L	90.7	Very high	87.6	Confident	32 Å²	32	78.3 Å²	78.3	17%	0.168	43%	0.425	C	S	.	.	H	α-helix	trans	-65.6	-44.5	172.4	-67.1	171.3	0	0	0	110.9	C88 K93 K94 L95 L107 E110 H111 C114	C88-L91 PolarHBondContact O-N 2.88Å; L91-K93 PolarHBondContact O-N 3.42Å; L91-K94 PolarHBondContact O-N 2.87Å; L91-L95 PolarHBondContact O-N 3.33Å; L91-L107 HydrophobicContact CD2-CD1 3.67Å; L91-E110 HydrophobicContact CD1-CB 4.35Å; L91-E110 HydrophobicContact CD2-CB 4.13Å; L91-H111 HydrophobicContact CB-CB 4.21Å; L91-C114 HydrophobicContact CD1-CB 3.82Å
92	Q	90.5	Very high	87.3	Confident	59 Å²	59	77.9 Å²	77.9	28%	0.276	43%	0.432	S	S	.	.	H	α-helix	trans	-60	-43.1	176.6	-178.3	61.7	34.5	0	0	112	C88 K89 K94 L95 V96 H111	C88-Q92 PolarHBondContact O-N 3.34Å; K89-Q92 PolarHBondContact O-N 3.47Å; Q92-K94 PolarHBondContact O-N 3.01Å; Q92-L95 PolarHBondContact O-N 2.84Å; Q92-V96 WeakPolarHBondContact O-CG2 3.34Å; Q92-V96 PolarHBondContact O-N 3.3Å; Q92-H111 PolarHBondContact OE1-NE2 2.82Å
93	K	90.8	Very high	87.3	Confident	101 Å²	101	75.1 Å²	75.1	44%	0.439	42%	0.419	S	S	.	.	H	α-helix	trans	-60.7	-44.1	175.7	-77.4	174.5	-178.5	169.1	0	112.2	K89 E90 L91 L95 V96 A97	K89-K93 WeakPolarHBondContact O-CG 3.45Å; K89-K93 PolarHBondContact O-N 3.37Å; E90-K93 PolarHBondContact O-N 2.93Å; E90-K93 IonicContact OE1-NZ 3.57Å; E90-K93 PolarHBondContact OE1-NZ 3.43Å; E90-K93 IonicContact OE2-NZ 3.13Å; L91-K93 PolarHBondContact O-N 3.42Å; K93-L95 VanDerWaalsContact C-N 3.3Å; K93-L95 PolarHBondContact O-N 3.45Å; K93-V96 PolarHBondContact O-N 3.47Å; K93-A97 WeakPolarHBondContact O-CB 3.32Å; K93-A97 PolarHBondContact O-N 3.1Å
94	K	90.2	Very high	87.2	Confident	117 Å²	117	78 Å²	78	51%	0.509	43%	0.431	S	S	.	.	H	α-helix	trans	-62.7	-37.8	177.2	-70.8	174.7	-178.6	-179.1	0	111.6	E90 L91 Q92 L107	E90-K94 WeakPolarHBondContact O-CG 3.4Å; E90-K94 PolarHBondContact O-N 2.88Å; E90-K94 VanDerWaalsContact O-N 3.13Å; L91-K94 PolarHBondContact O-N 2.87Å; Q92-K94 PolarHBondContact O-N 3.01Å; K94-L107 VanDerWaalsContact C-CD2 3.48Å; K94-L107 HydrophobicContact CB-CD1 4Å; K94-L107 HydrophobicContact CB-CD2 3.47Å; K94-L107 VanDerWaalsContact CB-CD2 3.47Å; K94-L107 HydrophobicContact CB-CG 4.35Å; K94-L107 HydrophobicContact CD-CD1 4Å
95	L	88.3	Confident	87.2	Confident	23 Å²	23	78.3 Å²	78.3	12%	0.12	44%	0.436	C	S	.	.	H	α-helix	trans	-64.8	-46.3	176.4	-79.2	170.7	0	0	0	111.2	L91 Q92 K93 A97 G98 F104 L107 M108 H111	L91-L95 PolarHBondContact O-N 3.33Å; Q92-L95 PolarHBondContact O-N 2.84Å; K93-L95 VanDerWaalsContact C-N 3.3Å; K93-L95 PolarHBondContact O-N 3.45Å; L95-A97 VanDerWaalsContact C-N 3.34Å; L95-A97 PolarHBondContact O-N 2.94Å; L95-G98 PolarHBondContact O-N 2.88Å; L95-F104 HydrophobicContact CD2-CD2 3.87Å; L95-F104 HydrophobicContact CD2-CE2 3.59Å; L95-F104 HydrophobicContact CD2-CZ 4.14Å; L95-L107 HydrophobicContact CB-CD2 4.34Å; L95-L107 HydrophobicContact CD2-CB 4.14Å; L95-L107 HydrophobicContact CD2-CD2 3.72Å; L95-L107 HydrophobicContact CD2-CG 3.79Å; L95-L107 HydrophobicContact CG-CD2 3.73Å; L95-L107 HydrophobicContact CG-CG 3.84Å; L95-M108 HydrophobicContact CD2-CB 4.4Å; L95-M108 HydrophobicContact CD2-CG 3.55Å; L95-H111 HydrophobicContact CD1-CB 3.52Å; L95-H111 VanDerWaalsContact CD1-CG 3.47Å
96	V	86.9	Confident	87.3	Confident	111 Å²	111	76.6 Å²	76.6	67%	0.673	43%	0.43	S	S	*	.	H	α-helix	trans	-66.6	-35.2	-179.6	173.3	0	0	0	0	112.2	Q92 K93 G98	Q92-V96 WeakPolarHBondContact O-CG2 3.34Å; Q92-V96 PolarHBondContact O-N 3.3Å; K93-V96 PolarHBondContact O-N 3.47Å; V96-G98 PolarHBondContact O-N 3.33Å
97	A	87.8	Confident	87.3	Confident	86 Å²	86	75.3 Å²	75.3	71%	0.711	41%	0.414	S	S	*	.	H	α-helix	trans	-64.7	-18.5	178.1	0	0	0	0	0	113.3	K93 L95	K93-A97 WeakPolarHBondContact O-CB 3.32Å; K93-A97 PolarHBondContact O-N 3.1Å; L95-A97 VanDerWaalsContact C-N 3.34Å; L95-A97 PolarHBondContact O-N 2.94Å
98	G	77.9	Confident	87.4	Confident	50 Å²	50	73.7 Å²	73.7	52%	0.515	41%	0.409	S	S	.	.			trans	76	128.9	-174.4	0	0	0	0	0	111.4	L95 V96	L95-G98 PolarHBondContact O-N 2.88Å; V96-G98 PolarHBondContact O-N 3.33Å
99	T	75.3	Confident	87.4	Confident	66 Å²	66	79.9 Å²	79.9	41%	0.405	44%	0.436	S	S	.	.			trans	-124.8	171	173.3	36.9	0	0	0	0	108.7
100	N	84.8	Confident	87.3	Confident	103 Å²	103	80.5 Å²	80.5	55%	0.551	44%	0.44	S	S	*	.			trans	-59.5	156.3	172	72.9	21.8	0	0	0	110.2	D102 A103 F104	N100-D102 VanDerWaalsContact C-N 3.31Å; N100-D102 PolarHBondContact O-N 3.08Å; N100-A103 PolarHBondContact O-N 3.34Å; N100-A103 WeakPolarHBondContact OD1-CB 3.45Å; N100-A103 PolarHBondContact OD1-N 2.77Å; N100-F104 WeakPolarHBondContact O-CB 3.41Å; N100-F104 PolarHBondContact O-N 2.93Å
101	P	81.4	Confident	87.4	Confident	98 Å²	98	76 Å²	76	64%	0.636	42%	0.419	S	S	*	.	H	α-helix	trans	-56.2	-39.5	-171.1	-28.2	35.7	0	0	0	114.8	F104 I105	P101-F104 WeakPolarHBondContact O-CB 3.37Å; P101-F104 PolarHBondContact O-N 3.42Å; P101-I105 WeakPolarHBondContact O-CG1 3.5Å; P101-I105 PolarHBondContact O-N 2.85Å; P101-I105 VanDerWaalsContact O-N 3.1Å
102	D	83.3	Confident	87.4	Confident	122 Å²	122	77.8 Å²	77.8	65%	0.652	43%	0.429	S	S	*	.	H	α-helix	trans	-68.3	-47.7	-178.9	-61.3	-35.6	0	0	0	111.3	N100 F104 I105 D106	N100-D102 VanDerWaalsContact C-N 3.31Å; N100-D102 PolarHBondContact O-N 3.08Å; D102-F104 PolarHBondContact O-N 2.75Å; D102-I105 PolarHBondContact O-N 3.02Å; D102-D106 PolarHBondContact O-N 3.05Å
103	A	86.2	Confident	87.4	Confident	41 Å²	41	82.3 Å²	82.3	34%	0.339	45%	0.448	S	S	.	.	H	α-helix	trans	-65.6	-30.5	175.2	0	0	0	0	0	111.8	N100 D106 L107	N100-A103 PolarHBondContact O-N 3.34Å; N100-A103 WeakPolarHBondContact OD1-CB 3.45Å; N100-A103 PolarHBondContact OD1-N 2.77Å; A103-D106 PolarHBondContact O-N 3.18Å; A103-L107 WeakPolarHBondContact O-CB 3.48Å; A103-L107 PolarHBondContact O-N 3.39Å
104	F	86.3	Confident	87.5	Confident	71 Å²	71	78.6 Å²	78.6	31%	0.311	43%	0.434	S	S	.	.	H	α-helix	trans	-65.1	-41.7	176.1	-177.6	-94.9	0	0	0	111.7	L95 N100 P101 D102 L107 M108	L95-F104 HydrophobicContact CD2-CD2 3.87Å; L95-F104 HydrophobicContact CD2-CE2 3.59Å; L95-F104 HydrophobicContact CD2-CZ 4.14Å; N100-F104 WeakPolarHBondContact O-CB 3.41Å; N100-F104 PolarHBondContact O-N 2.93Å; P101-F104 WeakPolarHBondContact O-CB 3.37Å; P101-F104 PolarHBondContact O-N 3.42Å; D102-F104 PolarHBondContact O-N 2.75Å; F104-L107 PolarHBondContact O-N 2.82Å; F104-M108 HydrophobicContact CD1-CE 4.2Å; F104-M108 HydrophobicContact CD1-CG 4.1Å; F104-M108 HydrophobicContact CD1-SD 4.27Å; F104-M108 HydrophobicContact CE1-CE 3.73Å; F104-M108 HydrophobicContact CE1-CG 3.67Å; F104-M108 HydrophobicContact CE1-SD 3.41Å; F104-M108 WeakPolarHBondContact CE1-SD 3.39Å; F104-M108 HydrophobicContact CE2-CG 4.46Å; F104-M108 HydrophobicContact CZ-CG 3.87Å; F104-M108 HydrophobicContact CZ-SD 3.76Å; F104-M108 WeakPolarHBondContact O-CB 3.36Å; F104-M108 WeakPolarHBondContact O-CG 3.45Å; F104-M108 PolarHBondContact O-N 3.4Å
105	I	87.3	Confident	87.6	Confident	82 Å²	82	73 Å²	73	42%	0.421	41%	0.41	S	S	.	.	H	α-helix	trans	-62.1	-47.5	176.6	-69.1	166.9	0	0	0	110.7	P101 D102 L107 M108 K109	P101-I105 WeakPolarHBondContact O-CG1 3.5Å; P101-I105 PolarHBondContact O-N 2.85Å; P101-I105 VanDerWaalsContact O-N 3.1Å; D102-I105 PolarHBondContact O-N 3.02Å; I105-L107 VanDerWaalsContact C-N 3.35Å; I105-M108 PolarHBondContact O-N 2.79Å; I105-K109 WeakPolarHBondContact O-CG 3.28Å; I105-K109 PolarHBondContact O-N 2.85Å
106	D	90.5	Very high	87.6	Confident	90 Å²	90	78 Å²	78	48%	0.481	43%	0.433	S	S	.	.	H	α-helix	trans	-67.1	-39.6	-179.7	-72.1	-22.3	0	0	0	111.5	D102 A103 M108 K109 E110	D102-D106 PolarHBondContact O-N 3.05Å; A103-D106 PolarHBondContact O-N 3.18Å; D106-M108 VanDerWaalsContact C-N 3.34Å; D106-M108 PolarHBondContact O-N 2.89Å; D106-K109 WeakPolarHBondContact O-CB 3.5Å; D106-K109 PolarHBondContact O-N 3.11Å; D106-K109 IonicContact OD1-NZ 2.68Å; D106-E110 WeakPolarHBondContact O-CG 3.33Å; D106-E110 PolarHBondContact O-N 2.84Å
107	L	91.1	Very high	87.4	Confident	14 Å²	14	78.9 Å²	78.9	7%	0.073	43%	0.429	C	S	.	.	H	α-helix	trans	-64.9	-36.8	174.7	-173.7	69.1	0	0	0	112.4	L91 K94 L95 A103 F104 I105 E110 H111	L91-L107 HydrophobicContact CD2-CD1 3.67Å; K94-L107 VanDerWaalsContact C-CD2 3.48Å; K94-L107 HydrophobicContact CB-CD1 4Å; K94-L107 HydrophobicContact CB-CD2 3.47Å; K94-L107 VanDerWaalsContact CB-CD2 3.47Å; K94-L107 HydrophobicContact CB-CG 4.35Å; K94-L107 HydrophobicContact CD-CD1 4Å; L95-L107 HydrophobicContact CB-CD2 4.34Å; L95-L107 HydrophobicContact CD2-CB 4.14Å; L95-L107 HydrophobicContact CD2-CD2 3.72Å; L95-L107 HydrophobicContact CD2-CG 3.79Å; L95-L107 HydrophobicContact CG-CD2 3.73Å; L95-L107 HydrophobicContact CG-CG 3.84Å; A103-L107 WeakPolarHBondContact O-CB 3.48Å; A103-L107 PolarHBondContact O-N 3.39Å; F104-L107 PolarHBondContact O-N 2.82Å; I105-L107 VanDerWaalsContact C-N 3.35Å; L107-E110 PolarHBondContact O-N 2.81Å; L107-H111 VanDerWaalsContact O-CB 3.29Å; L107-H111 WeakPolarHBondContact O-CB 3.49Å; L107-H111 PolarHBondContact O-N 3.21Å
108	M	89.8	Confident	87.2	Confident	77 Å²	77	75 Å²	75	38%	0.379	40%	0.397	S	S	.	.	H	α-helix	trans	-63.3	-43.5	172.8	-81.1	-150.8	-53.6	0	0	111.2	L95 F104 I105 D106 E110 H111 D112	L95-M108 HydrophobicContact CD2-CB 4.4Å; L95-M108 HydrophobicContact CD2-CG 3.55Å; F104-M108 HydrophobicContact CD1-CE 4.2Å; F104-M108 HydrophobicContact CD1-CG 4.1Å; F104-M108 HydrophobicContact CD1-SD 4.27Å; F104-M108 HydrophobicContact CE1-CE 3.73Å; F104-M108 HydrophobicContact CE1-CG 3.67Å; F104-M108 HydrophobicContact CE1-SD 3.41Å; F104-M108 WeakPolarHBondContact CE1-SD 3.39Å; F104-M108 HydrophobicContact CE2-CG 4.46Å; F104-M108 HydrophobicContact CZ-CG 3.87Å; F104-M108 HydrophobicContact CZ-SD 3.76Å; F104-M108 WeakPolarHBondContact O-CB 3.36Å; F104-M108 WeakPolarHBondContact O-CG 3.45Å; F104-M108 PolarHBondContact O-N 3.4Å; I105-M108 PolarHBondContact O-N 2.79Å; D106-M108 VanDerWaalsContact C-N 3.34Å; D106-M108 PolarHBondContact O-N 2.89Å; M108-E110 PolarHBondContact O-N 3.1Å; M108-H111 PolarHBondContact O-N 2.94Å; M108-D112 WeakPolarHBondContact O-CB 3.37Å; M108-D112 PolarHBondContact O-N 3.4Å
109	K	91.8	Very high	87.6	Confident	129 Å²	129	76.5 Å²	76.5	56%	0.561	39%	0.387	S	S	*	.	H	α-helix	trans	-61.9	-43.6	176	-69.3	171.5	-173.2	162.3	0	112	I105 D106 H111 D112 K113	I105-K109 WeakPolarHBondContact O-CG 3.28Å; I105-K109 PolarHBondContact O-N 2.85Å; D106-K109 WeakPolarHBondContact O-CB 3.5Å; D106-K109 PolarHBondContact O-N 3.11Å; D106-K109 IonicContact OD1-NZ 2.68Å; K109-H111 VanDerWaalsContact C-N 3.35Å; K109-D112 PolarHBondContact O-N 2.84Å; K109-K113 WeakPolarHBondContact O-CB 3.43Å; K109-K113 PolarHBondContact O-N 3.13Å
110	E	91.1	Very high	88.1	Confident	110 Å²	110	76.3 Å²	76.3	51%	0.514	39%	0.392	S	S	.	.	H	α-helix	trans	-62.2	-43.4	175.8	-73.9	-176.5	-177	0	0	111.6	L91 D106 L107 M108 C114	L91-E110 HydrophobicContact CD1-CB 4.35Å; L91-E110 HydrophobicContact CD2-CB 4.13Å; D106-E110 WeakPolarHBondContact O-CG 3.33Å; D106-E110 PolarHBondContact O-N 2.84Å; L107-E110 PolarHBondContact O-N 2.81Å; M108-E110 PolarHBondContact O-N 3.1Å; E110-C114 WeakPolarHBondContact O-CB 3.43Å; E110-C114 PolarHBondContact O-N 2.81Å
111	H	92.5	Very high	88	Confident	14 Å²	14	76.5 Å²	76.5	7%	0.065	40%	0.397	C	S	.	.	H	α-helix	trans	-64	-46.4	176.2	176.5	-90.4	0	0	0	111.9	L91 Q92 L95 L107 M108 K109 K113 C114 M115	L91-H111 HydrophobicContact CB-CB 4.21Å; Q92-H111 PolarHBondContact OE1-NE2 2.82Å; L95-H111 HydrophobicContact CD1-CB 3.52Å; L95-H111 VanDerWaalsContact CD1-CG 3.47Å; L107-H111 VanDerWaalsContact O-CB 3.29Å; L107-H111 WeakPolarHBondContact O-CB 3.49Å; L107-H111 PolarHBondContact O-N 3.21Å; M108-H111 PolarHBondContact O-N 2.94Å; K109-H111 VanDerWaalsContact C-N 3.35Å; H111-K113 VanDerWaalsContact C-N 3.35Å; H111-K113 PolarHBondContact O-N 3.44Å; H111-C114 WeakPolarHBondContact O-CB 3.46Å; H111-C114 PolarHBondContact O-N 3.38Å; H111-C114 VanDerWaalsContact O-N 3.13Å; H111-M115 WeakPolarHBondContact CE1-CG 3.46Å; H111-M115 VanDerWaalsContact O-CG 3.31Å; H111-M115 WeakPolarHBondContact O-CG 3.22Å; H111-M115 PolarHBondContact O-N 2.87Å
112	D	91.1	Very high	88.2	Confident	70 Å²	70	73.9 Å²	73.9	37%	0.374	38%	0.376	S	S	.	.	H	α-helix	trans	-61.3	-44.3	177.7	-83.1	-31.4	0	0	0	111.2	M108 K109 C114 M115 E116 R119	M108-D112 WeakPolarHBondContact O-CB 3.37Å; M108-D112 PolarHBondContact O-N 3.4Å; K109-D112 PolarHBondContact O-N 2.84Å; D112-C114 VanDerWaalsContact C-N 3.29Å; D112-C114 PolarHBondContact O-N 3.28Å; D112-M115 CarbonylContact O-C 3.51Å; D112-M115 PolarHBondContact O-N 3.25Å; D112-E116 WeakPolarHBondContact O-CG 3.47Å; D112-E116 PolarHBondContact O-N 3.47Å; D112-R119 IonicContact OD1-NH1 3.75Å; D112-R119 PolarHBondContact OD1-NH1 3.16Å
113	K	92	Very high	88.2	Confident	154 Å²	154	75.1 Å²	75.1	67%	0.67	38%	0.376	S	S	*	.	H	α-helix	trans	-59.3	-39.7	173.5	-173.5	178.9	179.4	-178.1	0	112.2	K109 H111 M115 E116	K109-K113 WeakPolarHBondContact O-CB 3.43Å; K109-K113 PolarHBondContact O-N 3.13Å; H111-K113 VanDerWaalsContact C-N 3.35Å; H111-K113 PolarHBondContact O-N 3.44Å; K113-M115 VanDerWaalsContact C-N 3.34Å; K113-E116 PolarHBondContact O-N 2.93Å
114	C	92.4	Very high	88	Confident	23 Å²	23	79.9 Å²	79.9	16%	0.155	39%	0.385	C	S	.	.	H	α-helix	trans	-64.4	-40	174.1	-175.8	0	0	0	0	112.1	C88 L91 E110 H111 D112	C88-C114 WeakPolarHBondContact CA-SG 3.42Å; C88-C114 HydrophobicContact CB-CB 4.01Å; C88-C114 WeakPolarHBondContact CB-SG 3.2Å; C88-C114 WeakPolarHBondContact SG-CB 3.42Å; C88-C114 PolarHBondContact SG-O 2.77Å; C88-C114 VanDerWaalsContact SG-O 3.37Å; C88-C114 CovalentContact SG-SG 2.04Å; C88-C114 PolarHBondContact SG-SG 3.49Å; L91-C114 HydrophobicContact CD1-CB 3.82Å; E110-C114 WeakPolarHBondContact O-CB 3.43Å; E110-C114 PolarHBondContact O-N 2.81Å; H111-C114 WeakPolarHBondContact O-CB 3.46Å; H111-C114 PolarHBondContact O-N 3.38Å; H111-C114 VanDerWaalsContact O-N 3.13Å; D112-C114 VanDerWaalsContact C-N 3.29Å; D112-C114 PolarHBondContact O-N 3.28Å
115	M	91.2	Very high	87.9	Confident	0 Å²	0	77 Å²	77	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-73.6	-26.3	179.1	-69.7	-62.9	-62.4	0	0	113	E80 C83 K84 C88 H111 D112 K113 E117 C118 R119	E80-M115 HydrophobicContact CB-CE 3.64Å; E80-M115 HydrophobicContact CG-CE 3.67Å; C83-M115 HydrophobicContact CB-CE 4.31Å; C83-M115 HydrophobicContact CB-SD 3.8Å; K84-M115 HydrophobicContact CD-CE 4.45Å; K84-M115 HydrophobicContact CG-CE 3.99Å; K84-M115 HydrophobicContact CG-SD 3.96Å; C88-M115 HydrophobicContact CB-SD 4.09Å; H111-M115 WeakPolarHBondContact CE1-CG 3.46Å; H111-M115 VanDerWaalsContact O-CG 3.31Å; H111-M115 WeakPolarHBondContact O-CG 3.22Å; H111-M115 PolarHBondContact O-N 2.87Å; D112-M115 CarbonylContact O-C 3.51Å; D112-M115 PolarHBondContact O-N 3.25Å; K113-M115 VanDerWaalsContact C-N 3.34Å; M115-E117 VanDerWaalsContact C-N 3.27Å; M115-E117 PolarHBondContact O-N 3.1Å; M115-C118 WeakPolarHBondContact O-CA 3.46Å; M115-C118 WeakPolarHBondContact O-CB 3.48Å; M115-C118 PolarHBondContact O-N 2.77Å; M115-R119 WeakPolarHBondContact O-CG 3.45Å; M115-R119 PolarHBondContact O-N 2.74Å
116	E	89.9	Confident	87.7	Confident	128 Å²	128	76.4 Å²	76.4	60%	0.598	37%	0.368	S	S	*	.	H	α-helix	trans	-54.6	-43.3	178.3	-83.5	-168.5	149	0	0	111.9	D112 K113 C118 R119 A120	D112-E116 WeakPolarHBondContact O-CG 3.47Å; D112-E116 PolarHBondContact O-N 3.47Å; K113-E116 PolarHBondContact O-N 2.93Å; E116-C118 PolarHBondContact O-N 3.04Å; E116-C118 VanDerWaalsContact O-N 3.1Å; E116-R119 CarbonylContact O-C 3.58Å; E116-R119 PolarHBondContact O-N 3.4Å; E116-A120 VanDerWaalsContact O-CB 3.28Å; E116-A120 WeakPolarHBondContact O-CB 3.49Å; E116-A120 PolarHBondContact O-N 3.44Å
117	E	82.2	Confident	87.5	Confident	128 Å²	128	74.1 Å²	74.1	60%	0.598	36%	0.36	S	S	*	.	H	α-helix	trans	-58.1	-27.1	177.1	-71.3	-179	-178.2	0	0	112.8	K87 M115	K87-E117 IonicContact NZ-OE2 2.74Å; K87-E117 PolarHBondContact NZ-OE2 2.74Å; M115-E117 VanDerWaalsContact C-N 3.27Å; M115-E117 PolarHBondContact O-N 3.1Å
118	C	83.4	Confident	87.1	Confident	5 Å²	5	73.6 Å²	73.6	3%	0.034	36%	0.357	C	S	.	.	H	α-helix	trans	-91.8	-35.2	179.6	-44.2	0	0	0	0	112.1	C83 K87 M115 E116 A120 T121	C83-C118 HydrophobicContact CB-CB 3.8Å; C83-C118 WeakPolarHBondContact CB-SG 3Å; C83-C118 WeakPolarHBondContact SG-CB 3.32Å; C83-C118 CovalentContact SG-SG 1.98Å; C83-C118 PolarHBondContact SG-SG 3.33Å; K87-C118 WeakPolarHBondContact CE-SG 3.38Å; K87-C118 PolarHBondContact NZ-SG 3.38Å; K87-C118 VanDerWaalsContact NZ-SG 3.39Å; M115-C118 WeakPolarHBondContact O-CA 3.46Å; M115-C118 WeakPolarHBondContact O-CB 3.48Å; M115-C118 PolarHBondContact O-N 2.77Å; E116-C118 PolarHBondContact O-N 3.04Å; E116-C118 VanDerWaalsContact O-N 3.1Å; C118-A120 PolarHBondContact O-N 3.38Å; C118-T121 PolarHBondContact O-N 3.08Å; C118-T121 PolarHBondContact O-OG1 3.38Å
119	R	86.5	Confident	86.9	Confident	82 Å²	82	70.9 Å²	70.9	31%	0.309	34%	0.344	S	S	.	.	H	α-helix	trans	-67.3	-27.5	171	-66	178.7	177.3	153.8	0.3	110.8	E80 D112 M115 E116 T121 E122 K123 F126	E80-R119 IonicContact OE1-CZ 3.6Å; E80-R119 IonicContact OE1-NE 3.5Å; E80-R119 PolarHBondContact OE1-NE 3.42Å; E80-R119 IonicContact OE1-NH2 3.51Å; E80-R119 PolarHBondContact OE1-NH2 2.87Å; D112-R119 IonicContact OD1-NH1 3.75Å; D112-R119 PolarHBondContact OD1-NH1 3.16Å; M115-R119 WeakPolarHBondContact O-CG 3.45Å; M115-R119 PolarHBondContact O-N 2.74Å; E116-R119 CarbonylContact O-C 3.58Å; E116-R119 PolarHBondContact O-N 3.4Å; R119-T121 VanDerWaalsContact C-N 3.31Å; R119-T121 PolarHBondContact O-N 3.09Å; R119-E122 CarbonylContact O-C 3.6Å; R119-E122 VanDerWaalsContact O-C 3.27Å; R119-E122 PolarHBondContact O-N 3.41Å; R119-E122 VanDerWaalsContact O-N 3.12Å; R119-K123 WeakPolarHBondContact O-CA 3.36Å; R119-K123 PolarHBondContact O-N 3.27Å; R119-F126 HydrophobicContact CB-CD2 4.47Å; R119-F126 HydrophobicContact CB-CE2 3.83Å; R119-F126 HydrophobicContact CB-CZ 4.41Å; R119-F126 HydrophobicContact CG-CE2 3.78Å; R119-F126 HydrophobicContact CG-CZ 3.9Å
120	A	85.8	Confident	86.7	Confident	62 Å²	62	67.5 Å²	67.5	51%	0.512	34%	0.337	S	S	.	.	H	α-helix	trans	-60.7	-38.2	176.1	0	0	0	0	0	112.3	E116 C118 E122 K123	E116-A120 VanDerWaalsContact O-CB 3.28Å; E116-A120 WeakPolarHBondContact O-CB 3.49Å; E116-A120 PolarHBondContact O-N 3.44Å; C118-A120 PolarHBondContact O-N 3.38Å; A120-E122 VanDerWaalsContact C-N 3.26Å; A120-E122 PolarHBondContact O-N 2.86Å; A120-K123 WeakPolarHBondContact O-CB 3.15Å; A120-K123 PolarHBondContact O-N 2.99Å
121	T	82.4	Confident	86.4	Confident	107 Å²	107	63.2 Å²	63.2	66%	0.656	32%	0.317	S	S	*	.	H	α-helix	trans	-68.2	-27.4	176.7	62.5	0	0	0	0	112.4	C118 R119	C118-T121 PolarHBondContact O-N 3.08Å; C118-T121 PolarHBondContact O-OG1 3.38Å; R119-T121 VanDerWaalsContact C-N 3.31Å; R119-T121 PolarHBondContact O-N 3.09Å
122	E	84.5	Confident	85.8	Confident	42 Å²	42	62.7 Å²	62.7	20%	0.196	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	18.5	178.6	-68.4	-62.3	155	0	0	112.8	I76 A79 R119 A120 R124 S125 F126	I76-E122 HydrophobicContact CG1-CB 4.39Å; A79-E122 HydrophobicContact CB-CG 3.49Å; A79-E122 VanDerWaalsContact CB-CG 3.49Å; R119-E122 CarbonylContact O-C 3.6Å; R119-E122 VanDerWaalsContact O-C 3.27Å; R119-E122 PolarHBondContact O-N 3.41Å; R119-E122 VanDerWaalsContact O-N 3.12Å; A120-E122 VanDerWaalsContact C-N 3.26Å; A120-E122 PolarHBondContact O-N 2.86Å; E122-R124 PolarHBondContact O-N 3.47Å; E122-S125 WeakPolarHBondContact O-CA 3.06Å; E122-S125 WeakPolarHBondContact O-CB 3.4Å; E122-S125 PolarHBondContact O-N 3.2Å; E122-S125 VanDerWaalsContact OE2-CB 3.31Å; E122-S125 WeakPolarHBondContact OE2-CB 3.44Å; E122-S125 PolarHBondContact OE2-OG 2.98Å; E122-F126 HydrophobicContact CB-CD2 4.27Å; E122-F126 HydrophobicContact CB-CE2 4.28Å; E122-F126 WeakPolarHBondContact O-CD2 3.41Å; E122-F126 PolarHBondContact O-N 2.74Å
123	K	84.7	Confident	85.4	Confident	149 Å²	149	62 Å²	62	65%	0.648	31%	0.31	S	S	*	.	H	α-helix	trans	-56.8	-38.4	-174.6	-175.9	-179.9	178.1	-176.2	0	112.2	R119 A120 F126 S127	R119-K123 WeakPolarHBondContact O-CA 3.36Å; R119-K123 PolarHBondContact O-N 3.27Å; A120-K123 WeakPolarHBondContact O-CB 3.15Å; A120-K123 PolarHBondContact O-N 2.99Å; K123-F126 PolarHBondContact O-N 3.32Å; K123-S127 PolarHBondContact O-N 3.09Å; K123-S127 PolarHBondContact O-OG 3.06Å
124	R	82	Confident	85.1	Confident	140 Å²	140	58.3 Å²	58.3	53%	0.528	29%	0.294	S	S	.	.	H	α-helix	trans	-64.4	-43.5	175.3	-173.5	175.7	178.8	172.5	0.2	111.4	E122 F126 S127 L128 N171	E122-R124 PolarHBondContact O-N 3.47Å; R124-F126 PolarHBondContact O-N 3Å; R124-S127 PolarHBondContact O-N 3.34Å; R124-L128 HydrophobicContact CG-CD1 4.07Å; R124-L128 WeakPolarHBondContact O-CB 3.44Å; R124-L128 PolarHBondContact O-N 2.93Å; R124-N171 PolarHBondContact NH2-OD1 3.45Å
125	S	82.9	Confident	84.5	Confident	12 Å²	12	60 Å²	60	8%	0.084	30%	0.299	C	S	.	.	H	α-helix	trans	-61.6	-42.5	177.6	-56.6	0	0	0	0	111.9	E122 S127 L129	E122-S125 WeakPolarHBondContact O-CA 3.06Å; E122-S125 WeakPolarHBondContact O-CB 3.4Å; E122-S125 PolarHBondContact O-N 3.2Å; E122-S125 VanDerWaalsContact OE2-CB 3.31Å; E122-S125 WeakPolarHBondContact OE2-CB 3.44Å; E122-S125 PolarHBondContact OE2-OG 2.98Å; S125-S127 PolarHBondContact O-N 2.91Å; S125-L129 WeakPolarHBondContact O-CB 3.35Å; S125-L129 PolarHBondContact O-N 2.95Å
126	F	83.3	Confident	83.8	Confident	68 Å²	68	61.9 Å²	61.9	30%	0.298	31%	0.314	S	S	.	.	H	α-helix	trans	-61.1	-43.1	173.1	-82.4	-76.9	0	0	0	112.5	I76 R119 E122 K123 R124 L129 S130	I76-F126 HydrophobicContact CB-CE2 4.43Å; I76-F126 HydrophobicContact CB-CZ 4.24Å; I76-F126 HydrophobicContact CD1-CD1 3.8Å; I76-F126 HydrophobicContact CD1-CD2 4.2Å; I76-F126 HydrophobicContact CD1-CE1 3.96Å; I76-F126 HydrophobicContact CD1-CE2 4.33Å; I76-F126 HydrophobicContact CD1-CG 3.94Å; I76-F126 HydrophobicContact CD1-CZ 4.24Å; I76-F126 HydrophobicContact CG1-CD1 4.42Å; I76-F126 HydrophobicContact CG1-CD2 4.07Å; I76-F126 HydrophobicContact CG1-CE1 4.29Å; I76-F126 HydrophobicContact CG1-CE2 3.91Å; I76-F126 HydrophobicContact CG1-CG 4.33Å; I76-F126 HydrophobicContact CG1-CZ 4.05Å; I76-F126 HydrophobicContact CG2-CE1 3.67Å; I76-F126 HydrophobicContact CG2-CE2 3.82Å; I76-F126 HydrophobicContact CG2-CZ 3.23Å; R119-F126 HydrophobicContact CB-CD2 4.47Å; R119-F126 HydrophobicContact CB-CE2 3.83Å; R119-F126 HydrophobicContact CB-CZ 4.41Å; R119-F126 HydrophobicContact CG-CE2 3.78Å; R119-F126 HydrophobicContact CG-CZ 3.9Å; E122-F126 HydrophobicContact CB-CD2 4.27Å; E122-F126 HydrophobicContact CB-CE2 4.28Å; E122-F126 WeakPolarHBondContact O-CD2 3.41Å; E122-F126 PolarHBondContact O-N 2.74Å; K123-F126 PolarHBondContact O-N 3.32Å; R124-F126 PolarHBondContact O-N 3Å; F126-L129 PolarHBondContact O-N 3.07Å; F126-S130 WeakPolarHBondContact O-CB 3.19Å; F126-S130 PolarHBondContact O-N 3.46Å
127	S	86.7	Confident	83.3	Confident	43 Å²	43	60.4 Å²	60.4	30%	0.301	31%	0.311	S	S	.	.	H	α-helix	trans	-68.5	-42.8	-178	-52.9	0	0	0	0	111.3	K123 R124 S125 S130 E131	K123-S127 PolarHBondContact O-N 3.09Å; K123-S127 PolarHBondContact O-OG 3.06Å; R124-S127 PolarHBondContact O-N 3.34Å; S125-S127 PolarHBondContact O-N 2.91Å; S127-S130 WeakPolarHBondContact O-CB 3.48Å; S127-S130 PolarHBondContact O-N 2.94Å; S127-E131 PolarHBondContact O-N 3.48Å
128	L	82.6	Confident	83.1	Confident	2 Å²	2	57.2 Å²	57.2	1%	0.01	29%	0.293	C	S	.	.	H	α-helix	trans	-61.5	-43.9	173.2	-79.8	166.2	0	0	0	112.2	M68 L72 R124 S130 E131 I132 L167 L168 N171 L249	M68-L128 HydrophobicContact CE-CD2 4.24Å; L72-L128 HydrophobicContact CD1-CB 3.98Å; L72-L128 HydrophobicContact CD2-CB 4.26Å; R124-L128 HydrophobicContact CG-CD1 4.07Å; R124-L128 WeakPolarHBondContact O-CB 3.44Å; R124-L128 PolarHBondContact O-N 2.93Å; L128-S130 VanDerWaalsContact C-N 3.29Å; L128-S130 PolarHBondContact O-N 3.47Å; L128-E131 PolarHBondContact O-N 3.36Å; L128-I132 VanDerWaalsContact O-CG1 3.27Å; L128-I132 WeakPolarHBondContact O-CG1 3.21Å; L128-I132 PolarHBondContact O-N 3.18Å; L128-L167 HydrophobicContact CD2-CB 3.6Å; L128-L167 HydrophobicContact CG-CB 4.17Å; L128-L168 HydrophobicContact CD2-CD2 4.19Å; L128-N171 VanDerWaalsContact CD1-ND2 3.34Å; L128-N171 WeakPolarHBondContact CD1-ND2 3.46Å; L128-N171 VanDerWaalsContact CD2-ND2 3.32Å; L128-N171 WeakPolarHBondContact CD2-ND2 3.27Å; L128-L249 HydrophobicContact CD1-CD1 3.94Å
129	L	85.3	Confident	82.6	Confident	21 Å²	21	60.5 Å²	60.5	11%	0.11	31%	0.305	C	S	.	.	H	α-helix	trans	-60.5	-43.2	177.5	-177	61.3	0	0	0	110.9	R69 L72 R73 I76 S125 F126 I132 D133	R69-L129 HydrophobicContact CB-CD1 4.11Å; R69-L129 HydrophobicContact CG-CD1 3.89Å; L72-L129 HydrophobicContact CB-CB 4.37Å; L72-L129 HydrophobicContact CB-CD1 4.41Å; L72-L129 HydrophobicContact CD1-CB 4.09Å; L72-L129 HydrophobicContact CD1-CD1 4.44Å; R73-L129 HydrophobicContact CG-CD2 3.96Å; I76-L129 HydrophobicContact CD1-CD2 3.99Å; S125-L129 WeakPolarHBondContact O-CB 3.35Å; S125-L129 PolarHBondContact O-N 2.95Å; F126-L129 PolarHBondContact O-N 3.07Å; L129-I132 PolarHBondContact O-N 3.37Å; L129-D133 WeakPolarHBondContact O-CB 3.21Å; L129-D133 PolarHBondContact O-N 2.96Å
130	S	87.8	Confident	82	Confident	58 Å²	58	62.6 Å²	62.6	41%	0.406	32%	0.317	S	S	.	.	H	α-helix	trans	-59.4	-45.1	175.1	-175.2	0	0	0	0	112.3	F126 S127 L128 I132 D133 K134	F126-S130 WeakPolarHBondContact O-CB 3.19Å; F126-S130 PolarHBondContact O-N 3.46Å; S127-S130 WeakPolarHBondContact O-CB 3.48Å; S127-S130 PolarHBondContact O-N 2.94Å; L128-S130 VanDerWaalsContact C-N 3.29Å; L128-S130 PolarHBondContact O-N 3.47Å; S130-I132 PolarHBondContact O-N 3.15Å; S130-D133 PolarHBondContact O-N 2.99Å; S130-K134 WeakPolarHBondContact O-CB 3.24Å; S130-K134 WeakPolarHBondContact O-CG 3.36Å; S130-K134 PolarHBondContact O-N 3.27Å
131	E	86.1	Confident	81.4	Confident	20 Å²	20	63.2 Å²	63.2	9%	0.093	31%	0.311	C	S	.	.	H	α-helix	trans	-63.3	-40.3	175.9	-71.4	-168.5	-170	0	0	112.5	S127 L128 D133 K134 K135 E164 F165 K166 L167 L168	S127-E131 PolarHBondContact O-N 3.48Å; L128-E131 PolarHBondContact O-N 3.36Å; E131-D133 VanDerWaalsContact C-N 3.32Å; E131-D133 PolarHBondContact O-N 3.45Å; E131-K134 PolarHBondContact O-N 3.02Å; E131-K135 VanDerWaalsContact O-CB 3.27Å; E131-K135 WeakPolarHBondContact O-CB 3.38Å; E131-K135 PolarHBondContact O-N 3.1Å; E131-E164 WeakPolarHBondContact CG-O 3.42Å; E131-F165 HydrophobicContact CB-CD1 4.46Å; E131-F165 VanDerWaalsContact OE2-CA 3.27Å; E131-F165 WeakPolarHBondContact OE2-CA 3.36Å; E131-K166 PolarHBondContact OE1-N 3.34Å; E131-K166 PolarHBondContact OE2-N 3.09Å; E131-L167 VanDerWaalsContact OE1-CB 3.28Å; E131-L167 WeakPolarHBondContact OE1-CB 3.41Å; E131-L167 VanDerWaalsContact OE1-CG 3.26Å; E131-L167 WeakPolarHBondContact OE1-CG 3.48Å; E131-L167 PolarHBondContact OE1-N 3.21Å; E131-L167 WeakPolarHBondContact OE2-CB 3.37Å; E131-L167 PolarHBondContact OE2-N 2.92Å; E131-L167 VanDerWaalsContact OE2-N 3.08Å; E131-L168 HydrophobicContact CB-CD1 3.99Å; E131-L168 HydrophobicContact CB-CG 4.16Å; E131-L168 PolarHBondContact OE2-N 2.92Å
132	I	80.1	Confident	81	Confident	3 Å²	3	59.5 Å²	59.5	2%	0.015	29%	0.286	C	S	.	.	H	α-helix	trans	-65.9	-38.2	177.1	-60.8	162.7	0	0	0	110.8	N65 M68 R69 L72 L128 L129 S130 K135 A136 L168	N65-I132 HydrophobicContact CB-CG2 4.45Å; M68-I132 HydrophobicContact CB-CD1 4.31Å; M68-I132 HydrophobicContact CE-CD1 3.97Å; M68-I132 HydrophobicContact CG-CD1 3.75Å; M68-I132 HydrophobicContact SD-CD1 3.64Å; R69-I132 HydrophobicContact CG-CB 4.43Å; R69-I132 HydrophobicContact CG-CG2 3.73Å; R69-I132 PolarHBondContact NH2-O 3.34Å; L72-I132 HydrophobicContact CD1-CD1 3.57Å; L128-I132 VanDerWaalsContact O-CG1 3.27Å; L128-I132 WeakPolarHBondContact O-CG1 3.21Å; L128-I132 PolarHBondContact O-N 3.18Å; L129-I132 PolarHBondContact O-N 3.37Å; S130-I132 PolarHBondContact O-N 3.15Å; I132-K135 WeakPolarHBondContact O-CB 3.49Å; I132-K135 PolarHBondContact O-N 3.17Å; I132-A136 PolarHBondContact O-N 2.86Å; I132-A136 VanDerWaalsContact O-N 3.15Å; I132-L168 HydrophobicContact CD1-CD2 4.43Å; I132-L168 HydrophobicContact CG1-CD1 4.19Å; I132-L168 HydrophobicContact CG1-CD2 3.83Å; I132-L168 HydrophobicContact CG1-CG 4.48Å
133	D	82	Confident	80.2	Confident	54 Å²	54	59.7 Å²	59.7	29%	0.289	29%	0.288	S	S	.	.	H	α-helix	trans	-68.2	-48.3	176.9	-71	-13.8	0	0	0	111	R69 L129 S130 E131 K135 A136 D137	R69-D133 IonicContact CZ-OD1 3.96Å; R69-D133 VanDerWaalsContact CZ-OD1 3.28Å; R69-D133 IonicContact NE-OD1 3.66Å; R69-D133 PolarHBondContact NE-OD1 3Å; R69-D133 IonicContact NH2-OD1 3.74Å; R69-D133 PolarHBondContact NH2-OD1 3.42Å; L129-D133 WeakPolarHBondContact O-CB 3.21Å; L129-D133 PolarHBondContact O-N 2.96Å; S130-D133 PolarHBondContact O-N 2.99Å; E131-D133 VanDerWaalsContact C-N 3.32Å; E131-D133 PolarHBondContact O-N 3.45Å; D133-K135 PolarHBondContact O-N 3.48Å; D133-A136 PolarHBondContact O-N 3.38Å; D133-D137 PolarHBondContact O-N 3.32Å
134	K	85	Confident	79.7	Confident	78 Å²	78	58.3 Å²	58.3	34%	0.339	28%	0.284	S	S	.	.	H	α-helix	trans	-53.4	-42.5	170.2	-75.7	179.9	178	-174.2	0	111.8	S130 E131 A136 D137 Y138 E164 F165	S130-K134 WeakPolarHBondContact O-CB 3.24Å; S130-K134 WeakPolarHBondContact O-CG 3.36Å; S130-K134 PolarHBondContact O-N 3.27Å; E131-K134 PolarHBondContact O-N 3.02Å; K134-A136 VanDerWaalsContact C-N 3.3Å; K134-A136 PolarHBondContact O-N 2.97Å; K134-D137 PolarHBondContact O-N 3.49Å; K134-D137 VanDerWaalsContact O-N 3.14Å; K134-Y138 HydrophobicContact CB-CD2 4.22Å; K134-Y138 HydrophobicContact CB-CE2 4.23Å; K134-Y138 WeakPolarHBondContact O-CB 3.24Å; K134-Y138 WeakPolarHBondContact O-CD2 3.38Å; K134-Y138 PolarHBondContact O-N 3.38Å; K134-E164 IonicContact NZ-OE2 3.49Å; K134-E164 PolarHBondContact NZ-OE2 2.75Å; K134-F165 HydrophobicContact CB-CE1 4.23Å
135	K	79.5	Confident	79.3	Confident	59 Å²	59	54.3 Å²	54.3	26%	0.257	28%	0.275	S	S	.	.	H	α-helix	trans	-60	-42.1	179.2	-174.6	174.1	178.5	178.6	0	111.2	E131 I132 D133 W139 F165 L168	E131-K135 VanDerWaalsContact O-CB 3.27Å; E131-K135 WeakPolarHBondContact O-CB 3.38Å; E131-K135 PolarHBondContact O-N 3.1Å; I132-K135 WeakPolarHBondContact O-CB 3.49Å; I132-K135 PolarHBondContact O-N 3.17Å; D133-K135 PolarHBondContact O-N 3.48Å; K135-W139 WeakPolarHBondContact O-CB 3.46Å; K135-W139 PolarHBondContact O-N 3.27Å; K135-F165 VanDerWaalsContact CA-CE1 3.42Å; K135-F165 HydrophobicContact CB-CD1 4.11Å; K135-F165 HydrophobicContact CB-CE1 3.49Å; K135-F165 VanDerWaalsContact CB-CE1 3.49Å; K135-F165 HydrophobicContact CB-CZ 3.86Å; K135-F165 HydrophobicContact CG-CE1 4.15Å; K135-F165 HydrophobicContact CG-CZ 4.12Å; K135-L168 HydrophobicContact CD-CD1 4.05Å
136	A	76.9	Confident	78.6	Confident	38 Å²	38	57.2 Å²	57.2	31%	0.314	29%	0.287	S	S	.	.	H	α-helix	trans	-67.6	-38.6	175.1	0	0	0	0	0	112.6	I132 D133 K134 W139 K140	I132-A136 PolarHBondContact O-N 2.86Å; I132-A136 VanDerWaalsContact O-N 3.15Å; D133-A136 PolarHBondContact O-N 3.38Å; K134-A136 VanDerWaalsContact C-N 3.3Å; K134-A136 PolarHBondContact O-N 2.97Å; A136-W139 PolarHBondContact O-N 2.88Å; A136-K140 WeakPolarHBondContact O-CB 3.5Å; A136-K140 PolarHBondContact O-N 3.5Å
137	D	79	Confident	78.1	Confident	98 Å²	98	58.7 Å²	58.7	52%	0.524	31%	0.305	S	S	.	.	H	α-helix	trans	-65.1	-46.5	176.5	-70.3	-22.2	0	0	0	111.8	D133 K134 W139 K140 N141	D133-D137 PolarHBondContact O-N 3.32Å; K134-D137 PolarHBondContact O-N 3.49Å; K134-D137 VanDerWaalsContact O-N 3.14Å; D137-W139 VanDerWaalsContact C-N 3.32Å; D137-W139 PolarHBondContact O-N 3.43Å; D137-K140 WeakPolarHBondContact O-CB 3.39Å; D137-K140 PolarHBondContact O-N 2.82Å; D137-K140 VanDerWaalsContact O-N 3.15Å; D137-N141 WeakPolarHBondContact O-CB 3.46Å; D137-N141 VanDerWaalsContact O-CG 3.25Å; D137-N141 PolarHBondContact O-N 3.34Å; D137-N141 PolarHBondContact O-ND2 2.89Å
138	Y	78.4	Confident	77.7	Confident	60 Å²	60	64.9 Å²	64.9	24%	0.235	33%	0.329	C	S	.	.	H	α-helix	trans	-59.6	-42.1	173.6	-77.5	-58.8	0	0	0	111.4	K134 K140 N141 F142 Y157 I161 E164 F165	K134-Y138 HydrophobicContact CB-CD2 4.22Å; K134-Y138 HydrophobicContact CB-CE2 4.23Å; K134-Y138 WeakPolarHBondContact O-CB 3.24Å; K134-Y138 WeakPolarHBondContact O-CD2 3.38Å; K134-Y138 PolarHBondContact O-N 3.38Å; Y138-K140 VanDerWaalsContact C-N 3.34Å; Y138-K140 PolarHBondContact O-N 2.98Å; Y138-N141 PolarHBondContact O-N 2.92Å; Y138-F142 WeakPolarHBondContact O-CB 3.33Å; Y138-F142 PolarHBondContact O-N 3.49Å; Y138-Y157 WeakPolarHBondContact CD1-OH 3.4Å; Y138-Y157 PolarHBondContact O-OH 2.93Å; Y138-Y157 VanDerWaalsContact O-OH 3.06Å; Y138-I161 HydrophobicContact CD1-CB 4.32Å; Y138-I161 HydrophobicContact CD1-CG2 3.55Å; Y138-I161 HydrophobicContact CD2-CB 4.36Å; Y138-I161 HydrophobicContact CD2-CG2 4.4Å; Y138-I161 HydrophobicContact CE1-CB 4.34Å; Y138-I161 HydrophobicContact CE1-CG2 3.43Å; Y138-I161 VanDerWaalsContact CE1-CG2 3.43Å; Y138-I161 HydrophobicContact CE2-CB 4.34Å; Y138-I161 HydrophobicContact CE2-CG2 4.27Å; Y138-I161 HydrophobicContact CG-CB 4.33Å; Y138-I161 HydrophobicContact CG-CD1 4.3Å; Y138-I161 HydrophobicContact CG-CG2 4.05Å; Y138-E164 HydrophobicContact CE2-CB 4.12Å; Y138-E164 HydrophobicContact CE2-CG 4.09Å; Y138-F165 HydrophobicContact CD2-CE1 4.01Å; Y138-F165 AromaticContact CD2-CZ 3.52Å; Y138-F165 HydrophobicContact CD2-CZ 3.52Å; Y138-F165 HydrophobicContact CE2-CE1 4.48Å; Y138-F165 HydrophobicContact CE2-CZ 4.2Å; Y138-F165 HydrophobicContact CG-CZ 4.3Å
139	W	73.3	Confident	77.2	Confident	75 Å²	75	66.6 Å²	66.6	28%	0.284	34%	0.338	S	S	.	.	H	α-helix	trans	-63.7	-38.2	174.3	-89.2	119	0	0	0	113.5	W51 K135 A136 D137 F142 N143 W158	W51-W139 AromaticContact CH2-CH2 3.65Å; W51-W139 HydrophobicContact CH2-CH2 3.65Å; W51-W139 HydrophobicContact CH2-CZ2 4.4Å; W51-W139 HydrophobicContact CH2-CZ3 4.31Å; W51-W139 HydrophobicContact CZ2-CH2 4.14Å; W51-W139 HydrophobicContact CZ3-CH2 4.38Å; K135-W139 WeakPolarHBondContact O-CB 3.46Å; K135-W139 PolarHBondContact O-N 3.27Å; A136-W139 PolarHBondContact O-N 2.88Å; D137-W139 VanDerWaalsContact C-N 3.32Å; D137-W139 PolarHBondContact O-N 3.43Å; W139-F142 AromaticContact CE3-CD1 3.99Å; W139-F142 HydrophobicContact CE3-CD1 3.99Å; W139-F142 AromaticContact CZ3-CD1 3.76Å; W139-F142 HydrophobicContact CZ3-CD1 3.76Å; W139-F142 HydrophobicContact CZ3-CE1 4.11Å; W139-N143 WeakPolarHBondContact O-CB 3.45Å; W139-N143 PolarHBondContact O-N 3.29Å; W139-N143 PolarHBondContact O-ND2 3.29Å; W139-W158 HydrophobicContact CD2-CH2 4.16Å; W139-W158 AromaticContact CE2-CH2 3.62Å; W139-W158 HydrophobicContact CE3-CH2 4.39Å; W139-W158 HydrophobicContact CE3-CZ2 4.29Å; W139-W158 AromaticContact CH2-CH2 3.7Å; W139-W158 HydrophobicContact CH2-CH2 3.7Å; W139-W158 AromaticContact CH2-CZ2 3.35Å; W139-W158 HydrophobicContact CH2-CZ2 3.35Å; W139-W158 AromaticContact CZ2-CH2 3.38Å; W139-W158 HydrophobicContact CZ2-CH2 3.38Å; W139-W158 AromaticContact CZ2-CZ2 3.58Å; W139-W158 HydrophobicContact CZ2-CZ2 3.58Å; W139-W158 HydrophobicContact CZ3-CH2 4.18Å; W139-W158 AromaticContact CZ3-CZ2 3.72Å; W139-W158 HydrophobicContact CZ3-CZ2 3.72Å
140	K	74.8	Confident	76.8	Confident	126 Å²	126	67.6 Å²	67.6	55%	0.548	35%	0.346	S	S	.	.	H	α-helix	trans	-63.4	-50.3	175	-174.5	-174.4	173	-168	0	110.2	A136 D137 Y138 F142 N143 E144	A136-K140 WeakPolarHBondContact O-CB 3.5Å; A136-K140 PolarHBondContact O-N 3.5Å; D137-K140 WeakPolarHBondContact O-CB 3.39Å; D137-K140 PolarHBondContact O-N 2.82Å; D137-K140 VanDerWaalsContact O-N 3.15Å; Y138-K140 VanDerWaalsContact C-N 3.34Å; Y138-K140 PolarHBondContact O-N 2.98Å; K140-F142 PolarHBondContact O-N 3.03Å; K140-N143 WeakPolarHBondContact O-CB 3.19Å; K140-N143 PolarHBondContact O-N 3.18Å; K140-N143 VanDerWaalsContact O-N 3.1Å; K140-E144 WeakPolarHBondContact CE-OE1 3.16Å; K140-E144 PolarHBondContact O-N 2.95Å; K140-E144 VanDerWaalsContact O-N 3.15Å
141	N	73.1	Confident	75.6	Confident	75 Å²	75	67.7 Å²	67.7	40%	0.401	34%	0.342	S	S	.	.	H	α-helix	trans	-58.9	-48.4	178.2	-67.8	-15.6	0	0	0	111.5	D137 Y138 N143 E144 V145	D137-N141 WeakPolarHBondContact O-CB 3.46Å; D137-N141 VanDerWaalsContact O-CG 3.25Å; D137-N141 PolarHBondContact O-N 3.34Å; D137-N141 PolarHBondContact O-ND2 2.89Å; Y138-N141 PolarHBondContact O-N 2.92Å; N141-N143 VanDerWaalsContact C-N 3.26Å; N141-N143 PolarHBondContact O-N 3.09Å; N141-E144 WeakPolarHBondContact O-CB 3.42Å; N141-E144 PolarHBondContact O-N 3.46Å; N141-V145 WeakPolarHBondContact O-CG2 3.48Å; N141-V145 PolarHBondContact O-N 2.94Å; N141-V145 VanDerWaalsContact O-N 3.16Å
142	F	72.5	Confident	74.6	Confident	29 Å²	29	73 Å²	73	13%	0.127	37%	0.367	C	S	.	.	H	α-helix	trans	-55.4	-41.9	175.4	179.4	-100.2	0	0	0	111.7	Y138 W139 K140 E144 V145 K146 M149 A154 Y157	Y138-F142 WeakPolarHBondContact O-CB 3.33Å; Y138-F142 PolarHBondContact O-N 3.49Å; W139-F142 AromaticContact CE3-CD1 3.99Å; W139-F142 HydrophobicContact CE3-CD1 3.99Å; W139-F142 AromaticContact CZ3-CD1 3.76Å; W139-F142 HydrophobicContact CZ3-CD1 3.76Å; W139-F142 HydrophobicContact CZ3-CE1 4.11Å; K140-F142 PolarHBondContact O-N 3.03Å; F142-E144 VanDerWaalsContact C-N 3.27Å; F142-E144 PolarHBondContact O-N 3.17Å; F142-V145 PolarHBondContact O-N 3.07Å; F142-K146 HydrophobicContact CD1-CB 4.39Å; F142-K146 HydrophobicContact CE1-CB 4.03Å; F142-K146 HydrophobicContact CE1-CD 4.35Å; F142-K146 HydrophobicContact CE2-CB 4.43Å; F142-K146 HydrophobicContact CZ-CB 4.05Å; F142-K146 WeakPolarHBondContact O-CA 3.49Å; F142-K146 WeakPolarHBondContact O-CB 3.43Å; F142-K146 PolarHBondContact O-N 3.31Å; F142-M149 HydrophobicContact CD2-SD 4.25Å; F142-M149 HydrophobicContact CE2-SD 4.05Å; F142-A154 HydrophobicContact CE2-CB 4.23Å; F142-Y157 HydrophobicContact CB-CE1 3.99Å; F142-Y157 HydrophobicContact CD2-CD1 4.06Å; F142-Y157 HydrophobicContact CD2-CE1 4.04Å; F142-Y157 HydrophobicContact CG-CE1 4.44Å
143	N	69	Low	74.2	Confident	46 Å²	46	77.1 Å²	77.1	25%	0.246	39%	0.389	C	S	.	.	H	α-helix	trans	-65.9	-28.9	178.2	-82.5	-59.6	0	0	0	113.8	W139 K140 N141 K146	W139-N143 WeakPolarHBondContact O-CB 3.45Å; W139-N143 PolarHBondContact O-N 3.29Å; W139-N143 PolarHBondContact O-ND2 3.29Å; K140-N143 WeakPolarHBondContact O-CB 3.19Å; K140-N143 PolarHBondContact O-N 3.18Å; K140-N143 VanDerWaalsContact O-N 3.1Å; N141-N143 VanDerWaalsContact C-N 3.26Å; N141-N143 PolarHBondContact O-N 3.09Å; N143-K146 PolarHBondContact OD1-NZ 3.12Å
144	E	74.8	Confident	73.5	Confident	119 Å²	119	75.3 Å²	75.3	56%	0.556	38%	0.382	S	S	*	.	H	α-helix	trans	-74.4	-34.6	176.9	-68.7	174.4	-171.6	0	0	111.6	K140 N141 F142	K140-E144 WeakPolarHBondContact CE-OE1 3.16Å; K140-E144 PolarHBondContact O-N 2.95Å; K140-E144 VanDerWaalsContact O-N 3.15Å; N141-E144 WeakPolarHBondContact O-CB 3.42Å; N141-E144 PolarHBondContact O-N 3.46Å; F142-E144 VanDerWaalsContact C-N 3.27Å; F142-E144 PolarHBondContact O-N 3.17Å
145	V	73.4	Confident	72.6	Confident	57 Å²	57	75.4 Å²	75.4	35%	0.345	39%	0.385	S	S	.	.	H	α-helix	trans	-103.3	-13	-174.5	-57.5	0	0	0	0	115	N141 F142 S147 E148 M149	N141-V145 WeakPolarHBondContact O-CG2 3.48Å; N141-V145 PolarHBondContact O-N 2.94Å; N141-V145 VanDerWaalsContact O-N 3.16Å; F142-V145 PolarHBondContact O-N 3.07Å; V145-S147 PolarHBondContact O-N 3.16Å; V145-E148 PolarHBondContact O-N 3.42Å; V145-M149 HydrophobicContact CB-CE 4.33Å; V145-M149 HydrophobicContact CG2-CE 3.37Å; V145-M149 HydrophobicContact CG2-SD 4.5Å; V145-M149 PolarHBondContact O-N 2.76Å
146	K	66.9	Low	72.2	Confident	73 Å²	73	76.2 Å²	76.2	32%	0.317	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-26.7	-172.2	65	-179.3	177.9	-169.4	0	115.2	F142 N143 E148	F142-K146 HydrophobicContact CD1-CB 4.39Å; F142-K146 HydrophobicContact CE1-CB 4.03Å; F142-K146 HydrophobicContact CE1-CD 4.35Å; F142-K146 HydrophobicContact CE2-CB 4.43Å; F142-K146 HydrophobicContact CZ-CB 4.05Å; F142-K146 WeakPolarHBondContact O-CA 3.49Å; F142-K146 WeakPolarHBondContact O-CB 3.43Å; F142-K146 PolarHBondContact O-N 3.31Å; N143-K146 PolarHBondContact OD1-NZ 3.12Å; K146-E148 PolarHBondContact O-N 2.76Å
147	S	73.7	Confident	72	Confident	98 Å²	98	76.2 Å²	76.2	69%	0.685	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-21.2	177.8	45.3	0	0	0	0	112.7	V145	V145-S147 PolarHBondContact O-N 3.16Å
148	E	77	Confident	71.5	Confident	173 Å²	173	75.6 Å²	75.6	81%	0.808	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.8	-15.9	-178	-58.7	-177.2	177.2	0	0	112.2	V145 K146	V145-E148 PolarHBondContact O-N 3.42Å; K146-E148 PolarHBondContact O-N 2.76Å
149	M	73.4	Confident	71.1	Confident	39 Å²	39	77 Å²	77	19%	0.192	39%	0.392	C	S	.	.			trans	-81	133.2	-175.9	-166.2	173.3	-82.7	0	0	112.1	F142 V145 D153 A154	F142-M149 HydrophobicContact CD2-SD 4.25Å; F142-M149 HydrophobicContact CE2-SD 4.05Å; V145-M149 HydrophobicContact CB-CE 4.33Å; V145-M149 HydrophobicContact CG2-CE 3.37Å; V145-M149 HydrophobicContact CG2-SD 4.5Å; V145-M149 PolarHBondContact O-N 2.76Å; M149-D153 HydrophobicContact CG-CB 3.64Å; M149-A154 HydrophobicContact CG-CB 4.09Å; M149-A154 WeakPolarHBondContact SD-CA 3.45Å; M149-A154 HydrophobicContact SD-CB 3.75Å
150	S	75.8	Confident	71.2	Confident	41 Å²	41	79.5 Å²	79.5	29%	0.287	41%	0.407	S	S	.	.			trans	-72.9	165.1	170.3	75.3	0	0	0	0	111.3	E152 D153 A154	S150-E152 VanDerWaalsContact C-N 3.31Å; S150-E152 PolarHBondContact O-N 3.27Å; S150-D153 WeakPolarHBondContact CB-OD2 3.36Å; S150-D153 PolarHBondContact O-N 2.98Å; S150-D153 WeakPolarHBondContact OG-CB 3.37Å; S150-D153 PolarHBondContact OG-N 3.38Å; S150-D153 VanDerWaalsContact OG-N 3.09Å; S150-D153 PolarHBondContact OG-OD2 3.3Å; S150-A154 WeakPolarHBondContact O-CB 3.26Å; S150-A154 PolarHBondContact O-N 3.1Å
151	L	63.8	Low	71.2	Confident	60 Å²	60	73.7 Å²	73.7	31%	0.314	38%	0.382	S	S	.	.	H	α-helix	trans	-64.1	-40.2	176.1	179	63.6	0	0	0	111.3	V44 A154 L155	V44-L151 HydrophobicContact CG2-CB 4.27Å; L151-A154 PolarHBondContact O-N 3.04Å; L151-L155 HydrophobicContact CG-CD1 4.43Å; L151-L155 VanDerWaalsContact O-CG 3.31Å; L151-L155 WeakPolarHBondContact O-CG 3.49Å; L151-L155 PolarHBondContact O-N 3.2Å
152	E	65.5	Low	71.2	Confident	131 Å²	131	74.9 Å²	74.9	61%	0.612	39%	0.385	S	S	*	.	H	α-helix	trans	-59.9	-47.5	174.9	-72.8	74.8	-166.8	0	0	111.5	S150 A154 L155 V156	S150-E152 VanDerWaalsContact C-N 3.31Å; S150-E152 PolarHBondContact O-N 3.27Å; E152-A154 VanDerWaalsContact C-N 3.34Å; E152-A154 PolarHBondContact O-N 3.02Å; E152-L155 WeakPolarHBondContact O-CB 3.42Å; E152-L155 PolarHBondContact O-N 3Å; E152-V156 WeakPolarHBondContact O-CG2 3.28Å; E152-V156 PolarHBondContact O-N 3.47Å
153	D	71.6	Confident	71.4	Confident	90 Å²	90	80 Å²	80	48%	0.481	41%	0.414	S	S	.	.	H	α-helix	trans	-65.7	-38.3	178.9	-61	-38.7	0	0	0	111.7	M149 S150 L155 V156 Y157	M149-D153 HydrophobicContact CG-CB 3.64Å; S150-D153 WeakPolarHBondContact CB-OD2 3.36Å; S150-D153 PolarHBondContact O-N 2.98Å; S150-D153 WeakPolarHBondContact OG-CB 3.37Å; S150-D153 PolarHBondContact OG-N 3.38Å; S150-D153 VanDerWaalsContact OG-N 3.09Å; S150-D153 PolarHBondContact OG-OD2 3.3Å; D153-L155 VanDerWaalsContact C-N 3.29Å; D153-L155 PolarHBondContact O-N 3.38Å; D153-V156 PolarHBondContact O-N 2.91Å; D153-Y157 VanDerWaalsContact O-CB 3.3Å; D153-Y157 WeakPolarHBondContact O-CB 3.5Å; D153-Y157 PolarHBondContact O-N 3.48Å
154	A	67.3	Low	71.9	Confident	17 Å²	17	81.2 Å²	81.2	14%	0.14	42%	0.419	C	S	.	.	H	α-helix	trans	-63.7	-35	175.5	0	0	0	0	0	112.3	F142 M149 S150 L151 E152 W158	F142-A154 HydrophobicContact CE2-CB 4.23Å; M149-A154 HydrophobicContact CG-CB 4.09Å; M149-A154 WeakPolarHBondContact SD-CA 3.45Å; M149-A154 HydrophobicContact SD-CB 3.75Å; S150-A154 WeakPolarHBondContact O-CB 3.26Å; S150-A154 PolarHBondContact O-N 3.1Å; L151-A154 PolarHBondContact O-N 3.04Å; E152-A154 VanDerWaalsContact C-N 3.34Å; E152-A154 PolarHBondContact O-N 3.02Å; A154-W158 WeakPolarHBondContact O-CB 3.4Å; A154-W158 PolarHBondContact O-N 3.5Å
155	L	65.1	Low	72.1	Confident	79 Å²	79	76.7 Å²	76.7	41%	0.414	40%	0.397	S	S	.	.	H	α-helix	trans	-69.4	-45.5	174.9	-72.7	168.2	0	0	0	111.5	L151 E152 D153 Y157 W158 T159	L151-L155 HydrophobicContact CG-CD1 4.43Å; L151-L155 VanDerWaalsContact O-CG 3.31Å; L151-L155 WeakPolarHBondContact O-CG 3.49Å; L151-L155 PolarHBondContact O-N 3.2Å; E152-L155 WeakPolarHBondContact O-CB 3.42Å; E152-L155 PolarHBondContact O-N 3Å; D153-L155 VanDerWaalsContact C-N 3.29Å; D153-L155 PolarHBondContact O-N 3.38Å; L155-Y157 VanDerWaalsContact C-N 3.32Å; L155-Y157 PolarHBondContact O-N 3.29Å; L155-W158 PolarHBondContact O-N 3.21Å; L155-T159 PolarHBondContact O-N 3.36Å; L155-T159 PolarHBondContact O-OG1 2.92Å; L155-T159 VanDerWaalsContact O-OG1 3.07Å
156	V	70.5	Confident	72.4	Confident	77 Å²	77	79.9 Å²	79.9	47%	0.467	41%	0.406	S	S	.	.	H	α-helix	trans	-58.3	-48.3	175.2	173.4	0	0	0	0	110	E152 D153 W158 T159 E160	E152-V156 WeakPolarHBondContact O-CG2 3.28Å; E152-V156 PolarHBondContact O-N 3.47Å; D153-V156 PolarHBondContact O-N 2.91Å; V156-W158 PolarHBondContact O-N 3.18Å; V156-T159 PolarHBondContact O-N 3.07Å; V156-E160 HydrophobicContact CG1-CG 4.31Å; V156-E160 WeakPolarHBondContact CG1-OE1 3.45Å; V156-E160 WeakPolarHBondContact O-CB 3.39Å; V156-E160 WeakPolarHBondContact O-CG 3.19Å; V156-E160 PolarHBondContact O-N 3.13Å
157	Y	72.5	Confident	72.8	Confident	38 Å²	38	78.2 Å²	78.2	15%	0.149	40%	0.401	C	S	.	.	H	α-helix	trans	-55	-49.5	175.5	-178.3	-98.7	0	0	0	111.8	Y138 F142 D153 L155 T159 E160 I161	Y138-Y157 WeakPolarHBondContact CD1-OH 3.4Å; Y138-Y157 PolarHBondContact O-OH 2.93Å; Y138-Y157 VanDerWaalsContact O-OH 3.06Å; F142-Y157 HydrophobicContact CB-CE1 3.99Å; F142-Y157 HydrophobicContact CD2-CD1 4.06Å; F142-Y157 HydrophobicContact CD2-CE1 4.04Å; F142-Y157 HydrophobicContact CG-CE1 4.44Å; D153-Y157 VanDerWaalsContact O-CB 3.3Å; D153-Y157 WeakPolarHBondContact O-CB 3.5Å; D153-Y157 PolarHBondContact O-N 3.48Å; L155-Y157 VanDerWaalsContact C-N 3.32Å; L155-Y157 PolarHBondContact O-N 3.29Å; Y157-T159 PolarHBondContact O-N 2.97Å; Y157-E160 PolarHBondContact O-N 2.75Å; Y157-I161 HydrophobicContact CD1-CD1 3.99Å; Y157-I161 HydrophobicContact CE1-CD1 3.56Å; Y157-I161 HydrophobicContact CE1-CG2 4.37Å; Y157-I161 HydrophobicContact CE2-CG2 4.24Å; Y157-I161 WeakPolarHBondContact O-CG1 3.48Å; Y157-I161 WeakPolarHBondContact O-CG2 3.45Å; Y157-I161 PolarHBondContact O-N 3.38Å
158	W	69.3	Low	72.7	Confident	84 Å²	84	74.8 Å²	74.8	32%	0.318	37%	0.374	S	S	.	.	H	α-helix	trans	-61.1	-42.8	178.2	-88.5	120.4	0	0	0	113.2	W139 A154 L155 V156 I161 Q162	W139-W158 HydrophobicContact CD2-CH2 4.16Å; W139-W158 AromaticContact CE2-CH2 3.62Å; W139-W158 HydrophobicContact CE3-CH2 4.39Å; W139-W158 HydrophobicContact CE3-CZ2 4.29Å; W139-W158 AromaticContact CH2-CH2 3.7Å; W139-W158 HydrophobicContact CH2-CH2 3.7Å; W139-W158 AromaticContact CH2-CZ2 3.35Å; W139-W158 HydrophobicContact CH2-CZ2 3.35Å; W139-W158 AromaticContact CZ2-CH2 3.38Å; W139-W158 HydrophobicContact CZ2-CH2 3.38Å; W139-W158 AromaticContact CZ2-CZ2 3.58Å; W139-W158 HydrophobicContact CZ2-CZ2 3.58Å; W139-W158 HydrophobicContact CZ3-CH2 4.18Å; W139-W158 AromaticContact CZ3-CZ2 3.72Å; W139-W158 HydrophobicContact CZ3-CZ2 3.72Å; A154-W158 WeakPolarHBondContact O-CB 3.4Å; A154-W158 PolarHBondContact O-N 3.5Å; L155-W158 PolarHBondContact O-N 3.21Å; V156-W158 PolarHBondContact O-N 3.18Å; W158-I161 HydrophobicContact CD2-CD1 4.17Å; W158-I161 HydrophobicContact CE3-CD1 3.37Å; W158-I161 HydrophobicContact CE3-CG1 3.69Å; W158-I161 HydrophobicContact CH2-CD1 3.92Å; W158-I161 HydrophobicContact CZ3-CD1 3.23Å; W158-I161 HydrophobicContact CZ3-CG1 3.95Å; W158-I161 PolarHBondContact O-N 3.49Å; W158-Q162 WeakPolarHBondContact O-CB 3.28Å; W158-Q162 PolarHBondContact O-N 3.33Å
159	T	70.5	Confident	72.6	Confident	89 Å²	89	70.4 Å²	70.4	55%	0.546	35%	0.354	S	S	.	.	H	α-helix	trans	-64.7	-40.8	177.3	-58.4	0	0	0	0	111.4	L155 V156 Y157 Q162	L155-T159 PolarHBondContact O-N 3.36Å; L155-T159 PolarHBondContact O-OG1 2.92Å; L155-T159 VanDerWaalsContact O-OG1 3.07Å; V156-T159 PolarHBondContact O-N 3.07Å; Y157-T159 PolarHBondContact O-N 2.97Å; T159-Q162 PolarHBondContact O-N 3.25Å
160	E	75.1	Confident	72.6	Confident	128 Å²	128	71.6 Å²	71.6	60%	0.598	36%	0.359	S	S	*	.	H	α-helix	trans	-66	-40	178.2	-73.6	176.3	174.1	0	0	112.5	V156 Y157	V156-E160 HydrophobicContact CG1-CG 4.31Å; V156-E160 WeakPolarHBondContact CG1-OE1 3.45Å; V156-E160 WeakPolarHBondContact O-CB 3.39Å; V156-E160 WeakPolarHBondContact O-CG 3.19Å; V156-E160 PolarHBondContact O-N 3.13Å; Y157-E160 PolarHBondContact O-N 2.75Å
161	I	74.4	Confident	72.3	Confident	5 Å²	5	69.9 Å²	69.9	3%	0.026	35%	0.346	C	S	.	.	H	α-helix	trans	-83.6	-17.1	-179.2	69.9	175	0	0	0	113.2	Y138 Y157 W158 D163 E164 F165	Y138-I161 HydrophobicContact CD1-CB 4.32Å; Y138-I161 HydrophobicContact CD1-CG2 3.55Å; Y138-I161 HydrophobicContact CD2-CB 4.36Å; Y138-I161 HydrophobicContact CD2-CG2 4.4Å; Y138-I161 HydrophobicContact CE1-CB 4.34Å; Y138-I161 HydrophobicContact CE1-CG2 3.43Å; Y138-I161 VanDerWaalsContact CE1-CG2 3.43Å; Y138-I161 HydrophobicContact CE2-CB 4.34Å; Y138-I161 HydrophobicContact CE2-CG2 4.27Å; Y138-I161 HydrophobicContact CG-CB 4.33Å; Y138-I161 HydrophobicContact CG-CD1 4.3Å; Y138-I161 HydrophobicContact CG-CG2 4.05Å; Y157-I161 HydrophobicContact CD1-CD1 3.99Å; Y157-I161 HydrophobicContact CE1-CD1 3.56Å; Y157-I161 HydrophobicContact CE1-CG2 4.37Å; Y157-I161 HydrophobicContact CE2-CG2 4.24Å; Y157-I161 WeakPolarHBondContact O-CG1 3.48Å; Y157-I161 WeakPolarHBondContact O-CG2 3.45Å; Y157-I161 PolarHBondContact O-N 3.38Å; W158-I161 HydrophobicContact CD2-CD1 4.17Å; W158-I161 HydrophobicContact CE3-CD1 3.37Å; W158-I161 HydrophobicContact CE3-CG1 3.69Å; W158-I161 HydrophobicContact CH2-CD1 3.92Å; W158-I161 HydrophobicContact CZ3-CD1 3.23Å; W158-I161 HydrophobicContact CZ3-CG1 3.95Å; W158-I161 PolarHBondContact O-N 3.49Å; I161-D163 PolarHBondContact O-N 3.46Å; I161-E164 WeakPolarHBondContact O-CB 3.28Å; I161-E164 PolarHBondContact O-N 2.88Å; I161-E164 VanDerWaalsContact O-N 3.07Å; I161-F165 HydrophobicContact CB-CE2 4.15Å; I161-F165 HydrophobicContact CD1-CE2 4.15Å; I161-F165 HydrophobicContact CG1-CE2 4.02Å; I161-F165 WeakPolarHBondContact O-CD2 3.22Å; I161-F165 WeakPolarHBondContact O-CE2 3.07Å
162	Q	72.6	Confident	72.5	Confident	99 Å²	99	70.6 Å²	70.6	46%	0.463	35%	0.348	S	S	.	.	H	α-helix	trans	-58.7	-39.1	177.1	-177	175.7	-8.4	0	0	111.4	W158 T159 E164 F165	W158-Q162 WeakPolarHBondContact O-CB 3.28Å; W158-Q162 PolarHBondContact O-N 3.33Å; T159-Q162 PolarHBondContact O-N 3.25Å; Q162-E164 PolarHBondContact O-N 2.69Å; Q162-E164 VanDerWaalsContact O-N 3.16Å; Q162-F165 PolarHBondContact O-N 3.33Å; Q162-F165 VanDerWaalsContact O-N 3.12Å
163	D	77	Confident	72.7	Confident	137 Å²	137	68.9 Å²	68.9	73%	0.733	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-63.7	-18.5	178.3	-71.3	-15.5	0	0	0	113	I161	I161-D163 PolarHBondContact O-N 3.46Å
164	E	79.1	Confident	72.4	Confident	72 Å²	72	66.9 Å²	66.9	34%	0.336	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-83.4	-7.9	177.7	-64.6	-75.6	159.3	0	0	113.7	E131 K134 Y138 I161 Q162	E131-E164 WeakPolarHBondContact CG-O 3.42Å; K134-E164 IonicContact NZ-OE2 3.49Å; K134-E164 PolarHBondContact NZ-OE2 2.75Å; Y138-E164 HydrophobicContact CE2-CB 4.12Å; Y138-E164 HydrophobicContact CE2-CG 4.09Å; I161-E164 WeakPolarHBondContact O-CB 3.28Å; I161-E164 PolarHBondContact O-N 2.88Å; I161-E164 VanDerWaalsContact O-N 3.07Å; Q162-E164 PolarHBondContact O-N 2.69Å; Q162-E164 VanDerWaalsContact O-N 3.16Å
165	F	79.1	Confident	72.3	Confident	24 Å²	24	66 Å²	66	11%	0.105	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-117.2	32.5	-174.9	-52.1	-52.1	0	0	0	113.3	E131 K134 K135 Y138 I161 Q162 L167 L168 Q169	E131-F165 HydrophobicContact CB-CD1 4.46Å; E131-F165 VanDerWaalsContact OE2-CA 3.27Å; E131-F165 WeakPolarHBondContact OE2-CA 3.36Å; K134-F165 HydrophobicContact CB-CE1 4.23Å; K135-F165 VanDerWaalsContact CA-CE1 3.42Å; K135-F165 HydrophobicContact CB-CD1 4.11Å; K135-F165 HydrophobicContact CB-CE1 3.49Å; K135-F165 VanDerWaalsContact CB-CE1 3.49Å; K135-F165 HydrophobicContact CB-CZ 3.86Å; K135-F165 HydrophobicContact CG-CE1 4.15Å; K135-F165 HydrophobicContact CG-CZ 4.12Å; Y138-F165 HydrophobicContact CD2-CE1 4.01Å; Y138-F165 AromaticContact CD2-CZ 3.52Å; Y138-F165 HydrophobicContact CD2-CZ 3.52Å; Y138-F165 HydrophobicContact CE2-CE1 4.48Å; Y138-F165 HydrophobicContact CE2-CZ 4.2Å; Y138-F165 HydrophobicContact CG-CZ 4.3Å; I161-F165 HydrophobicContact CB-CE2 4.15Å; I161-F165 HydrophobicContact CD1-CE2 4.15Å; I161-F165 HydrophobicContact CG1-CE2 4.02Å; I161-F165 WeakPolarHBondContact O-CD2 3.22Å; I161-F165 WeakPolarHBondContact O-CE2 3.07Å; Q162-F165 PolarHBondContact O-N 3.33Å; Q162-F165 VanDerWaalsContact O-N 3.12Å; F165-L167 PolarHBondContact O-N 3.34Å; F165-L168 HydrophobicContact CB-CB 4.4Å; F165-L168 HydrophobicContact CB-CD1 4.38Å; F165-L168 HydrophobicContact CD1-CD1 4.33Å; F165-L168 PolarHBondContact O-N 2.89Å; F165-Q169 PolarHBondContact O-N 2.81Å
166	K	81	Confident	72.5	Confident	124 Å²	124	66.5 Å²	66.5	54%	0.539	32%	0.321	S	S	.	.	H	α-helix	trans	-61.6	-44.5	-173	-164.8	-170.4	-178.8	-129.4	0	112.3	E131 L168 Q169 E170	E131-K166 PolarHBondContact OE1-N 3.34Å; E131-K166 PolarHBondContact OE2-N 3.09Å; K166-L168 VanDerWaalsContact C-N 3.32Å; K166-L168 PolarHBondContact O-N 3.47Å; K166-Q169 PolarHBondContact O-N 2.98Å; K166-Q169 VanDerWaalsContact O-N 3.16Å; K166-E170 WeakPolarHBondContact CD-OE1 3.14Å; K166-E170 WeakPolarHBondContact CE-OE1 3.43Å; K166-E170 HydrophobicContact CG-CG 4.45Å; K166-E170 IonicContact NZ-OE1 3.44Å; K166-E170 PolarHBondContact NZ-OE1 2.95Å; K166-E170 WeakPolarHBondContact O-CB 3.42Å; K166-E170 WeakPolarHBondContact O-CG 3.22Å; K166-E170 PolarHBondContact O-N 3.49Å
167	L	75.2	Confident	72.1	Confident	38 Å²	38	66 Å²	66	20%	0.199	31%	0.311	C	S	.	.	H	α-helix	trans	-67.7	-35.1	-179.2	-62.8	170.4	0	0	0	111.8	L128 E131 F165 Q169 N171	L128-L167 HydrophobicContact CD2-CB 3.6Å; L128-L167 HydrophobicContact CG-CB 4.17Å; E131-L167 VanDerWaalsContact OE1-CB 3.28Å; E131-L167 WeakPolarHBondContact OE1-CB 3.41Å; E131-L167 VanDerWaalsContact OE1-CG 3.26Å; E131-L167 WeakPolarHBondContact OE1-CG 3.48Å; E131-L167 PolarHBondContact OE1-N 3.21Å; E131-L167 WeakPolarHBondContact OE2-CB 3.37Å; E131-L167 PolarHBondContact OE2-N 2.92Å; E131-L167 VanDerWaalsContact OE2-N 3.08Å; F165-L167 PolarHBondContact O-N 3.34Å; L167-Q169 VanDerWaalsContact C-N 3.34Å; L167-N171 WeakPolarHBondContact O-CB 3.48Å; L167-N171 PolarHBondContact O-N 3.45Å
168	L	71.6	Confident	71.7	Confident	25 Å²	25	64.1 Å²	64.1	13%	0.131	30%	0.304	C	S	.	.	H	α-helix	trans	-63.8	-41.1	172	-74	173.8	0	0	0	111.6	M68 L128 E131 I132 K135 F165 K166 N171 E172	M68-L168 HydrophobicContact CE-CD2 4.08Å; M68-L168 HydrophobicContact SD-CD2 4.39Å; L128-L168 HydrophobicContact CD2-CD2 4.19Å; E131-L168 HydrophobicContact CB-CD1 3.99Å; E131-L168 HydrophobicContact CB-CG 4.16Å; E131-L168 PolarHBondContact OE2-N 2.92Å; I132-L168 HydrophobicContact CD1-CD2 4.43Å; I132-L168 HydrophobicContact CG1-CD1 4.19Å; I132-L168 HydrophobicContact CG1-CD2 3.83Å; I132-L168 HydrophobicContact CG1-CG 4.48Å; K135-L168 HydrophobicContact CD-CD1 4.05Å; F165-L168 HydrophobicContact CB-CB 4.4Å; F165-L168 HydrophobicContact CB-CD1 4.38Å; F165-L168 HydrophobicContact CD1-CD1 4.33Å; F165-L168 PolarHBondContact O-N 2.89Å; K166-L168 VanDerWaalsContact C-N 3.32Å; K166-L168 PolarHBondContact O-N 3.47Å; L168-N171 PolarHBondContact O-N 3.15Å; L168-E172 PolarHBondContact O-N 2.98Å
169	Q	73.8	Confident	71.7	Confident	82 Å²	82	62.1 Å²	62.1	38%	0.383	30%	0.298	S	S	.	.	H	α-helix	trans	-66.6	-44.7	176	-174.5	175.1	-16.1	0	0	111.7	F165 K166 L167 N171 E172 Q173	F165-Q169 PolarHBondContact O-N 2.81Å; K166-Q169 PolarHBondContact O-N 2.98Å; K166-Q169 VanDerWaalsContact O-N 3.16Å; L167-Q169 VanDerWaalsContact C-N 3.34Å; Q169-N171 VanDerWaalsContact C-N 3.32Å; Q169-N171 PolarHBondContact O-N 3.39Å; Q169-E172 PolarHBondContact O-N 3.16Å; Q169-Q173 HydrophobicContact CG-CG 4.47Å; Q169-Q173 WeakPolarHBondContact O-CB 3.14Å; Q169-Q173 VanDerWaalsContact O-CG 3.27Å; Q169-Q173 WeakPolarHBondContact O-CG 3.2Å; Q169-Q173 PolarHBondContact O-N 3.04Å
170	E	73.6	Confident	71.6	Confident	64 Å²	64	65.3 Å²	65.3	30%	0.299	30%	0.3	S	S	.	.	H	α-helix	trans	-59.5	-42.3	174.8	-73	171.7	-172	0	0	111.2	K166 Q173 E174	K166-E170 WeakPolarHBondContact CD-OE1 3.14Å; K166-E170 WeakPolarHBondContact CE-OE1 3.43Å; K166-E170 HydrophobicContact CG-CG 4.45Å; K166-E170 IonicContact NZ-OE1 3.44Å; K166-E170 PolarHBondContact NZ-OE1 2.95Å; K166-E170 WeakPolarHBondContact O-CB 3.42Å; K166-E170 WeakPolarHBondContact O-CG 3.22Å; K166-E170 PolarHBondContact O-N 3.49Å; E170-Q173 PolarHBondContact O-N 2.88Å; E170-E174 WeakPolarHBondContact O-CB 3.26Å; E170-E174 PolarHBondContact O-N 3.11Å
171	N	69.1	Low	71.1	Confident	4 Å²	4	59.5 Å²	59.5	2%	0.021	27%	0.273	C	S	.	.	H	α-helix	trans	-64.3	-42.2	175.7	-87.1	8.3	0	0	0	112.6	R124 L128 L167 L168 Q169 F175 L252	R124-N171 PolarHBondContact NH2-OD1 3.45Å; L128-N171 VanDerWaalsContact CD1-ND2 3.34Å; L128-N171 WeakPolarHBondContact CD1-ND2 3.46Å; L128-N171 VanDerWaalsContact CD2-ND2 3.32Å; L128-N171 WeakPolarHBondContact CD2-ND2 3.27Å; L167-N171 WeakPolarHBondContact O-CB 3.48Å; L167-N171 PolarHBondContact O-N 3.45Å; L168-N171 PolarHBondContact O-N 3.15Å; Q169-N171 VanDerWaalsContact C-N 3.32Å; Q169-N171 PolarHBondContact O-N 3.39Å; N171-F175 WeakPolarHBondContact O-CB 3.44Å; N171-F175 PolarHBondContact O-N 3Å; N171-L252 HydrophobicContact CB-CD1 3.75Å
172	E	69.7	Low	70.8	Confident	75 Å²	75	59.3 Å²	59.3	35%	0.35	27%	0.272	S	S	.	.	H	α-helix	trans	-66.7	-42.8	177.4	-166.5	68	-155.4	0	0	110.7	L168 Q169 E174 F175 E176 R243	L168-E172 PolarHBondContact O-N 2.98Å; Q169-E172 PolarHBondContact O-N 3.16Å; E172-E174 PolarHBondContact O-N 3.44Å; E172-F175 WeakPolarHBondContact O-CB 3.25Å; E172-F175 PolarHBondContact O-N 3.46Å; E172-E176 WeakPolarHBondContact O-CG 3.12Å; E172-E176 PolarHBondContact O-N 2.86Å; E172-R243 IonicContact OE1-NH2 2.86Å
173	Q	68.7	Low	71.1	Confident	96 Å²	96	59.4 Å²	59.4	45%	0.449	27%	0.271	S	S	.	.	H	α-helix	trans	-62.4	-42.4	176	-74.6	175.6	-14.3	0	0	112.3	Q169 E170 F175 E176 R177	Q169-Q173 HydrophobicContact CG-CG 4.47Å; Q169-Q173 WeakPolarHBondContact O-CB 3.14Å; Q169-Q173 VanDerWaalsContact O-CG 3.27Å; Q169-Q173 WeakPolarHBondContact O-CG 3.2Å; Q169-Q173 PolarHBondContact O-N 3.04Å; E170-Q173 PolarHBondContact O-N 2.88Å; Q173-F175 VanDerWaalsContact C-N 3.31Å; Q173-E176 PolarHBondContact O-N 2.87Å; Q173-R177 VanDerWaalsContact O-CB 3.25Å; Q173-R177 WeakPolarHBondContact O-CB 2.88Å; Q173-R177 PolarHBondContact O-N 3Å
174	E	66	Low	71	Confident	47 Å²	47	55 Å²	55	22%	0.22	25%	0.249	C	C	.	.	H	α-helix	trans	-65.4	-39.2	175.4	-170.8	67.2	175.2	0	0	110.2	E170 E172 R177 I178 L252 W255	E170-E174 WeakPolarHBondContact O-CB 3.26Å; E170-E174 PolarHBondContact O-N 3.11Å; E172-E174 PolarHBondContact O-N 3.44Å; E174-R177 WeakPolarHBondContact O-CB 3.48Å; E174-R177 PolarHBondContact O-N 3.04Å; E174-R177 IonicContact OE1-NH1 3.62Å; E174-R177 PolarHBondContact OE1-NH1 3.49Å; E174-R177 WeakPolarHBondContact OE2-CD 2.9Å; E174-R177 IonicContact OE2-NH1 2.77Å; E174-R177 PolarHBondContact OE2-NH1 3.35Å; E174-R177 VanDerWaalsContact OE2-NH1 3.12Å; E174-I178 HydrophobicContact CG-CD1 4.15Å; E174-I178 WeakPolarHBondContact O-CD1 3.08Å; E174-I178 WeakPolarHBondContact O-CG1 3.34Å; E174-I178 PolarHBondContact O-N 2.96Å; E174-L252 HydrophobicContact CB-CD2 3.94Å; E174-L252 HydrophobicContact CG-CD2 3.72Å; E174-W255 WeakPolarHBondContact OE1-CH2 3.26Å; E174-W255 VanDerWaalsContact OE1-CZ3 3.25Å; E174-W255 WeakPolarHBondContact OE1-CZ3 3.48Å
175	F	65.5	Low	70.8	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-62.7	-48.9	173.7	-175.2	-82	0	0	0	112.1	N171 E172 Q173 R177 I178 E179 M239 R243 T248 A251	N171-F175 WeakPolarHBondContact O-CB 3.44Å; N171-F175 PolarHBondContact O-N 3Å; E172-F175 WeakPolarHBondContact O-CB 3.25Å; E172-F175 PolarHBondContact O-N 3.46Å; Q173-F175 VanDerWaalsContact C-N 3.31Å; F175-R177 PolarHBondContact O-N 3.3Å; F175-I178 CarbonylContact O-C 3.59Å; F175-I178 PolarHBondContact O-N 3.34Å; F175-E179 HydrophobicContact CE1-CB 4.05Å; F175-E179 PolarHBondContact O-N 3.43Å; F175-M239 HydrophobicContact CD2-CE 4.34Å; F175-M239 HydrophobicContact CE1-CE 4.49Å; F175-M239 HydrophobicContact CE2-CE 3.61Å; F175-M239 HydrophobicContact CE2-SD 3.48Å; F175-M239 WeakPolarHBondContact CE2-SD 3.33Å; F175-M239 HydrophobicContact CZ-CE 3.67Å; F175-M239 HydrophobicContact CZ-SD 3.48Å; F175-M239 WeakPolarHBondContact CZ-SD 3.14Å; F175-R243 HydrophobicContact CE2-CB 4.38Å; F175-R243 HydrophobicContact CE2-CG 4.06Å; F175-R243 HydrophobicContact CZ-CB 4.44Å; F175-R243 HydrophobicContact CZ-CG 4.04Å; F175-T248 HydrophobicContact CB-CG2 3.96Å; F175-T248 HydrophobicContact CD2-CG2 4.03Å; F175-T248 HydrophobicContact CG-CG2 4.09Å; F175-A251 HydrophobicContact CD2-CB 4.15Å; F175-A251 HydrophobicContact CE2-CB 3.75Å
176	E	67.7	Low	70.5	Confident	89 Å²	89	57.5 Å²	57.5	42%	0.416	27%	0.266	S	S	.	.	H	α-helix	trans	-57.5	-38.5	175.4	-74	179.6	179.4	0	0	111.2	E172 Q173 E179 R180	E172-E176 WeakPolarHBondContact O-CG 3.12Å; E172-E176 PolarHBondContact O-N 2.86Å; Q173-E176 PolarHBondContact O-N 2.87Å; E176-E179 PolarHBondContact O-N 3.22Å; E176-R180 WeakPolarHBondContact O-CB 3.47Å; E176-R180 WeakPolarHBondContact O-CG 3.47Å; E176-R180 PolarHBondContact O-N 3.31Å
177	R	63	Low	70	Confident	65 Å²	65	52.7 Å²	52.7	25%	0.245	25%	0.249	C	C	.	.	H	α-helix	trans	-62.9	-45	173.7	-176.3	-178.3	176.3	-125.6	-2.7	111.2	Q173 E174 F175 R180 I181	Q173-R177 VanDerWaalsContact O-CB 3.25Å; Q173-R177 WeakPolarHBondContact O-CB 2.88Å; Q173-R177 PolarHBondContact O-N 3Å; E174-R177 WeakPolarHBondContact O-CB 3.48Å; E174-R177 PolarHBondContact O-N 3.04Å; E174-R177 IonicContact OE1-NH1 3.62Å; E174-R177 PolarHBondContact OE1-NH1 3.49Å; E174-R177 WeakPolarHBondContact OE2-CD 2.9Å; E174-R177 IonicContact OE2-NH1 2.77Å; E174-R177 PolarHBondContact OE2-NH1 3.35Å; E174-R177 VanDerWaalsContact OE2-NH1 3.12Å; F175-R177 PolarHBondContact O-N 3.3Å; R177-R180 PolarHBondContact O-N 2.88Å; R177-I181 HydrophobicContact CG-CD1 4.21Å; R177-I181 WeakPolarHBondContact O-CD1 3.08Å; R177-I181 WeakPolarHBondContact O-CG1 2.95Å; R177-I181 PolarHBondContact O-N 3.05Å
178	I	64.6	Low	69.9	Low	0 Å²	0	51.8 Å²	51.8	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-66.2	-42.7	177.1	-62.4	160.1	0	0	0	111.1	E174 F175 R180 I181 L182 M239 L252 W255	E174-I178 HydrophobicContact CG-CD1 4.15Å; E174-I178 WeakPolarHBondContact O-CD1 3.08Å; E174-I178 WeakPolarHBondContact O-CG1 3.34Å; E174-I178 PolarHBondContact O-N 2.96Å; F175-I178 CarbonylContact O-C 3.59Å; F175-I178 PolarHBondContact O-N 3.34Å; I178-R180 VanDerWaalsContact C-N 3.34Å; I178-R180 PolarHBondContact O-N 2.91Å; I178-I181 WeakPolarHBondContact O-CA 3.37Å; I178-I181 WeakPolarHBondContact O-CB 3.49Å; I178-I181 PolarHBondContact O-N 2.54Å; I178-L182 HydrophobicContact CG2-CD1 3.67Å; I178-L182 HydrophobicContact CG2-CG 4.04Å; I178-L182 PolarHBondContact O-N 2.82Å; I178-M239 HydrophobicContact CB-CE 3.91Å; I178-M239 HydrophobicContact CG2-CE 3.26Å; I178-L252 HydrophobicContact CD1-CD2 3.57Å; I178-W255 HydrophobicContact CB-CG 4.4Å; I178-W255 HydrophobicContact CD1-CB 3.75Å; I178-W255 HydrophobicContact CD1-CD2 3.39Å; I178-W255 HydrophobicContact CD1-CE3 3.57Å; I178-W255 HydrophobicContact CD1-CG 3.46Å; I178-W255 VanDerWaalsContact CD1-CG 3.46Å; I178-W255 HydrophobicContact CD1-CZ3 4.21Å; I178-W255 HydrophobicContact CG1-CB 4.5Å; I178-W255 HydrophobicContact CG1-CD2 3.51Å; I178-W255 HydrophobicContact CG1-CE3 3.96Å; I178-W255 HydrophobicContact CG1-CG 3.74Å; I178-W255 HydrophobicContact CG1-CH2 4.3Å; I178-W255 HydrophobicContact CG1-CZ2 3.99Å; I178-W255 HydrophobicContact CG1-CZ3 4.3Å; I178-W255 HydrophobicContact CG2-CB 4.31Å; I178-W255 HydrophobicContact CG2-CD2 4.27Å; I178-W255 HydrophobicContact CG2-CG 3.69Å
179	E	68.5	Low	70.3	Confident	42 Å²	42	55.9 Å²	55.9	20%	0.196	26%	0.261	C	S	.	.	H	α-helix	trans	-57.1	-48.5	174.5	170.6	163	-173.3	0	0	110.1	F175 E176 I181 L182 K183 W236 R243	F175-E179 HydrophobicContact CE1-CB 4.05Å; F175-E179 PolarHBondContact O-N 3.43Å; E176-E179 PolarHBondContact O-N 3.22Å; E179-I181 PolarHBondContact O-N 3.05Å; E179-L182 PolarHBondContact O-N 3.18Å; E179-K183 HydrophobicContact CG-CB 4.41Å; E179-K183 HydrophobicContact CG-CD 4.07Å; E179-K183 WeakPolarHBondContact O-CB 3.36Å; E179-K183 PolarHBondContact O-N 3.25Å; E179-K183 IonicContact OE1-NZ 3.08Å; E179-K183 PolarHBondContact OE1-NZ 3.04Å; E179-W236 HydrophobicContact CB-CH2 3.93Å; E179-W236 HydrophobicContact CB-CZ3 3.85Å; E179-W236 HydrophobicContact CG-CH2 3.41Å; E179-W236 VanDerWaalsContact CG-CH2 3.41Å; E179-W236 HydrophobicContact CG-CZ2 4.25Å; E179-W236 HydrophobicContact CG-CZ3 3.81Å; E179-R243 IonicContact OE2-NH1 2.74Å
180	R	68.2	Low	70.5	Confident	155 Å²	155	56.4 Å²	56.4	59%	0.585	27%	0.266	S	S	*	.	H	α-helix	trans	-59.3	-32.2	173.8	-73.5	-174.7	-65.6	-126.1	-2.3	113.3	E176 R177 I178	E176-R180 WeakPolarHBondContact O-CB 3.47Å; E176-R180 WeakPolarHBondContact O-CG 3.47Å; E176-R180 PolarHBondContact O-N 3.31Å; R177-R180 PolarHBondContact O-N 2.88Å; I178-R180 VanDerWaalsContact C-N 3.34Å; I178-R180 PolarHBondContact O-N 2.91Å
181	I	65.4	Low	70.6	Confident	7 Å²	7	55.6 Å²	55.6	4%	0.036	26%	0.263	C	S	.	.	H	α-helix	trans	-73.2	-52.5	178.8	-68.4	161.6	0	0	0	111.4	R177 I178 E179 K232 W255	R177-I181 HydrophobicContact CG-CD1 4.21Å; R177-I181 WeakPolarHBondContact O-CD1 3.08Å; R177-I181 WeakPolarHBondContact O-CG1 2.95Å; R177-I181 PolarHBondContact O-N 3.05Å; I178-I181 WeakPolarHBondContact O-CA 3.37Å; I178-I181 WeakPolarHBondContact O-CB 3.49Å; I178-I181 PolarHBondContact O-N 2.54Å; E179-I181 PolarHBondContact O-N 3.05Å; I181-K232 WeakPolarHBondContact O-CE 3.43Å; I181-K232 PolarHBondContact O-NZ 2.89Å; I181-W255 HydrophobicContact CD1-CZ2 4.37Å
182	L	68	Low	71.2	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-87.6	-33.2	-167.4	-69.4	-176.4	0	0	0	112.9	I178 E179 P184 K232 W236 M239 F262	I178-L182 HydrophobicContact CG2-CD1 3.67Å; I178-L182 HydrophobicContact CG2-CG 4.04Å; I178-L182 PolarHBondContact O-N 2.82Å; E179-L182 PolarHBondContact O-N 3.18Å; L182-P184 VanDerWaalsContact O-CD 3.24Å; L182-P184 WeakPolarHBondContact O-CD 3.47Å; L182-P184 VanDerWaalsContact O-N 3.16Å; L182-K232 HydrophobicContact CD2-CG 4.46Å; L182-K232 WeakPolarHBondContact O-CE 3.33Å; L182-K232 WeakPolarHBondContact O-CG 3.28Å; L182-W236 HydrophobicContact CB-CB 4.14Å; L182-W236 HydrophobicContact CB-CE3 3.9Å; L182-M239 HydrophobicContact CD1-CB 4.45Å; L182-M239 HydrophobicContact CD1-CE 4.3Å; L182-F262 HydrophobicContact CD2-CD2 4.5Å; L182-F262 HydrophobicContact CD2-CE1 4.09Å; L182-F262 HydrophobicContact CD2-CE2 4.02Å; L182-F262 HydrophobicContact CD2-CZ 3.74Å
183	K	77.5	Confident	72	Confident	101 Å²	101	60.9 Å²	60.9	44%	0.439	29%	0.289	S	S	.	.	S	Bend	trans	-58.5	121.5	179.7	-171.4	173.7	-167.6	164.7	0	109.4	E179 S185 W236	E179-K183 HydrophobicContact CG-CB 4.41Å; E179-K183 HydrophobicContact CG-CD 4.07Å; E179-K183 WeakPolarHBondContact O-CB 3.36Å; E179-K183 PolarHBondContact O-N 3.25Å; E179-K183 IonicContact OE1-NZ 3.08Å; E179-K183 PolarHBondContact OE1-NZ 3.04Å; K183-S185 PolarHBondContact O-N 2.92Å; K183-S185 VanDerWaalsContact O-N 3.08Å; K183-W236 HydrophobicContact CB-CD2 4.11Å; K183-W236 HydrophobicContact CB-CE3 4.4Å; K183-W236 HydrophobicContact CB-CH2 4.49Å; K183-W236 HydrophobicContact CB-CZ2 4.18Å; K183-W236 HydrophobicContact CD-CZ2 4.16Å; K183-W236 HydrophobicContact CG-CZ2 4.08Å
184	P	74.9	Confident	72.6	Confident	44 Å²	44	59.9 Å²	59.9	29%	0.286	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-59	117.4	175.2	-25.8	35.6	0	0	0	110	L182	L182-P184 VanDerWaalsContact O-CD 3.24Å; L182-P184 WeakPolarHBondContact O-CD 3.47Å; L182-P184 VanDerWaalsContact O-N 3.16Å
185	S	74.9	Confident	73.4	Confident	35 Å²	35	57.9 Å²	57.9	25%	0.245	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-80.6	168.7	175.6	65.1	0	0	0	0	110.9	K183 A187 D188 K189	K183-S185 PolarHBondContact O-N 2.92Å; K183-S185 VanDerWaalsContact O-N 3.08Å; S185-A187 PolarHBondContact O-N 3.46Å; S185-A187 PolarHBondContact OG-N 3.34Å; S185-D188 WeakPolarHBondContact CB-OD2 3.14Å; S185-D188 PolarHBondContact N-OD2 3.45Å; S185-D188 WeakPolarHBondContact O-CB 3.44Å; S185-D188 PolarHBondContact O-N 2.73Å; S185-D188 VanDerWaalsContact O-N 3.16Å; S185-D188 VanDerWaalsContact OG-CG 3.23Å; S185-D188 PolarHBondContact OG-N 2.79Å; S185-D188 VanDerWaalsContact OG-N 3.09Å; S185-D188 PolarHBondContact OG-OD2 2.05Å; S185-K189 PolarHBondContact O-N 2.77Å
186	E	74.4	Confident	74.6	Confident	115 Å²	115	62 Å²	62	54%	0.537	30%	0.295	S	S	.	.	H	α-helix	trans	-64	-30.8	171.1	-159.1	63.1	-163.5	0	0	111.3	D188 K189 N190	E186-D188 VanDerWaalsContact C-N 3.35Å; E186-D188 PolarHBondContact O-N 3.47Å; E186-K189 PolarHBondContact O-N 3.33Å; E186-K189 WeakPolarHBondContact OE2-CD 3.49Å; E186-K189 IonicContact OE2-NZ 2.95Å; E186-K189 PolarHBondContact OE2-NZ 2.77Å; E186-N190 WeakPolarHBondContact O-CB 3.23Å; E186-N190 VanDerWaalsContact O-CG 3.25Å; E186-N190 PolarHBondContact O-N 3.16Å; E186-N190 PolarHBondContact O-ND2 2.88Å
187	A	69	Low	75.6	Confident	22 Å²	22	61 Å²	61	18%	0.182	29%	0.292	C	S	.	.	H	α-helix	trans	-62.1	-40.8	172	0	0	0	0	0	111.9	S185 K189 N190 M191	S185-A187 PolarHBondContact O-N 3.46Å; S185-A187 PolarHBondContact OG-N 3.34Å; A187-K189 VanDerWaalsContact C-N 3.33Å; A187-K189 PolarHBondContact O-N 2.78Å; A187-N190 PolarHBondContact O-N 2.9Å; A187-M191 WeakPolarHBondContact O-CB 3.47Å; A187-M191 PolarHBondContact O-N 3.03Å
188	D	74.3	Confident	76.5	Confident	20 Å²	20	60.6 Å²	60.6	11%	0.107	29%	0.293	C	S	.	.	H	α-helix	trans	-63.2	-39.8	176.4	-63.4	-57	0	0	0	111.3	S185 E186 R192 I229 K232	S185-D188 WeakPolarHBondContact CB-OD2 3.14Å; S185-D188 PolarHBondContact N-OD2 3.45Å; S185-D188 WeakPolarHBondContact O-CB 3.44Å; S185-D188 PolarHBondContact O-N 2.73Å; S185-D188 VanDerWaalsContact O-N 3.16Å; S185-D188 VanDerWaalsContact OG-CG 3.23Å; S185-D188 PolarHBondContact OG-N 2.79Å; S185-D188 VanDerWaalsContact OG-N 3.09Å; S185-D188 PolarHBondContact OG-OD2 2.05Å; E186-D188 VanDerWaalsContact C-N 3.35Å; E186-D188 PolarHBondContact O-N 3.47Å; D188-R192 WeakPolarHBondContact O-CB 3.3Å; D188-R192 PolarHBondContact O-N 3.48Å; D188-I229 HydrophobicContact CB-CG2 4.45Å; D188-K232 IonicContact OD1-NZ 2.95Å; D188-K232 PolarHBondContact OD1-NZ 2.06Å; D188-K232 IonicContact OD2-NZ 2.71Å; D188-K232 PolarHBondContact OD2-NZ 3.12Å
189	K	79.3	Confident	77.6	Confident	111 Å²	111	61.3 Å²	61.3	48%	0.483	30%	0.297	S	S	.	.	H	α-helix	trans	-66.7	-43.7	176	-63.9	-178.9	-162.2	155.1	0	112.5	S185 E186 A187 R192 T193	S185-K189 PolarHBondContact O-N 2.77Å; E186-K189 PolarHBondContact O-N 3.33Å; E186-K189 WeakPolarHBondContact OE2-CD 3.49Å; E186-K189 IonicContact OE2-NZ 2.95Å; E186-K189 PolarHBondContact OE2-NZ 2.77Å; A187-K189 VanDerWaalsContact C-N 3.33Å; A187-K189 PolarHBondContact O-N 2.78Å; K189-R192 PolarHBondContact O-N 3.07Å; K189-T193 PolarHBondContact O-N 3.33Å; K189-T193 PolarHBondContact O-OG1 2.9Å
190	N	78.4	Confident	78.7	Confident	93 Å²	93	66.6 Å²	66.6	50%	0.497	32%	0.319	S	S	.	.	H	α-helix	trans	-63.9	-44.5	177.3	-71.7	-25.1	0	0	0	110.6	E186 A187 T193 E194	E186-N190 WeakPolarHBondContact O-CB 3.23Å; E186-N190 VanDerWaalsContact O-CG 3.25Å; E186-N190 PolarHBondContact O-N 3.16Å; E186-N190 PolarHBondContact O-ND2 2.88Å; A187-N190 PolarHBondContact O-N 2.9Å; N190-T193 PolarHBondContact O-N 3.36Å; N190-E194 PolarHBondContact O-N 3.39Å
191	M	75.9	Confident	79.7	Confident	46 Å²	46	64.8 Å²	64.8	23%	0.227	32%	0.316	C	S	.	.	H	α-helix	trans	-61.6	-45.4	176.1	-174.7	162.4	73.3	0	0	111.3	A187 T193 E194 L195 V225 I229 V362	A187-M191 WeakPolarHBondContact O-CB 3.47Å; A187-M191 PolarHBondContact O-N 3.03Å; M191-T193 VanDerWaalsContact C-N 3.33Å; M191-T193 PolarHBondContact O-N 3.11Å; M191-E194 PolarHBondContact O-N 2.83Å; M191-L195 HydrophobicContact CG-CD1 3.76Å; M191-L195 HydrophobicContact CG-CG 4.19Å; M191-L195 WeakPolarHBondContact O-CB 3.23Å; M191-L195 WeakPolarHBondContact O-CG 3.26Å; M191-L195 PolarHBondContact O-N 2.92Å; M191-V225 HydrophobicContact CE-CG1 4.15Å; M191-V225 HydrophobicContact SD-CG1 4.32Å; M191-I229 HydrophobicContact CB-CD1 4.33Å; M191-I229 HydrophobicContact CE-CD1 3.42Å; M191-I229 VanDerWaalsContact CE-CD1 3.42Å; M191-I229 HydrophobicContact CE-CG1 3.74Å; M191-I229 HydrophobicContact CG-CD1 4.01Å; M191-I229 HydrophobicContact SD-CD1 4.49Å; M191-V362 HydrophobicContact SD-CG2 4.09Å
192	R	82.5	Confident	80.7	Confident	103 Å²	103	64.9 Å²	64.9	39%	0.389	32%	0.318	S	S	.	.	H	α-helix	trans	-53.5	-50.9	173.3	-179.1	-178.9	-173	163.5	18.9	111.5	D188 K189 E194 L195 E196 L226 E230	D188-R192 WeakPolarHBondContact O-CB 3.3Å; D188-R192 PolarHBondContact O-N 3.48Å; K189-R192 PolarHBondContact O-N 3.07Å; R192-E194 VanDerWaalsContact C-N 3.33Å; R192-E194 PolarHBondContact O-N 3.32Å; R192-L195 PolarHBondContact O-N 3.49Å; R192-E196 HydrophobicContact CG-CG 4.43Å; R192-E196 WeakPolarHBondContact CG-OE1 3.36Å; R192-E196 IonicContact CZ-OE1 2.67Å; R192-E196 IonicContact NE-OE1 3.75Å; R192-E196 PolarHBondContact NE-OE1 3.35Å; R192-E196 WeakPolarHBondContact O-CB 3.2Å; R192-E196 VanDerWaalsContact O-CG 3.28Å; R192-E196 WeakPolarHBondContact O-CG 3.08Å; R192-E196 PolarHBondContact O-N 2.91Å; R192-L226 HydrophobicContact CB-CD2 4.13Å; R192-L226 HydrophobicContact CG-CD2 3.67Å; R192-E230 IonicContact CZ-OE1 3.28Å; R192-E230 IonicContact NH2-OE1 3.27Å; R192-E230 PolarHBondContact NH2-OE1 3.18Å
193	T	85.4	Confident	81.7	Confident	88 Å²	88	70.5 Å²	70.5	54%	0.54	34%	0.342	S	S	.	.	H	α-helix	trans	-60.5	-42.4	-179.7	-54.2	0	0	0	0	111.8	K189 N190 M191 D197	K189-T193 PolarHBondContact O-N 3.33Å; K189-T193 PolarHBondContact O-OG1 2.9Å; N190-T193 PolarHBondContact O-N 3.36Å; M191-T193 VanDerWaalsContact C-N 3.33Å; M191-T193 PolarHBondContact O-N 3.11Å; T193-D197 PolarHBondContact O-N 3.34Å; T193-D197 VanDerWaalsContact O-N 3.08Å
194	E	82	Confident	82.3	Confident	75 Å²	75	72 Å²	72	35%	0.35	35%	0.349	S	S	.	.	H	α-helix	trans	-66.1	-46.1	178.3	-174.9	176.6	177	0	0	112	N190 M191 R192 D197 Q198	N190-E194 PolarHBondContact O-N 3.39Å; M191-E194 PolarHBondContact O-N 2.83Å; R192-E194 VanDerWaalsContact C-N 3.33Å; R192-E194 PolarHBondContact O-N 3.32Å; E194-D197 PolarHBondContact O-N 2.83Å; E194-Q198 WeakPolarHBondContact O-CG 3.42Å; E194-Q198 PolarHBondContact O-N 2.83Å; E194-Q198 PolarHBondContact OE1-NE2 3.29Å
195	L	82.7	Confident	82.7	Confident	4 Å²	4	76.1 Å²	76.1	2%	0.021	36%	0.362	C	S	.	.	H	α-helix	trans	-64.1	-41.8	179.2	-67.1	171.6	0	0	0	111.5	M191 R192 D197 Q198 I199 W221 A222 V225 L226 I229	M191-L195 HydrophobicContact CG-CD1 3.76Å; M191-L195 HydrophobicContact CG-CG 4.19Å; M191-L195 WeakPolarHBondContact O-CB 3.23Å; M191-L195 WeakPolarHBondContact O-CG 3.26Å; M191-L195 PolarHBondContact O-N 2.92Å; R192-L195 PolarHBondContact O-N 3.49Å; L195-D197 VanDerWaalsContact C-N 3.33Å; L195-D197 PolarHBondContact O-N 2.77Å; L195-Q198 PolarHBondContact O-N 3.24Å; L195-I199 VanDerWaalsContact O-CG1 3.29Å; L195-I199 WeakPolarHBondContact O-CG1 3.46Å; L195-I199 PolarHBondContact O-N 2.77Å; L195-W221 HydrophobicContact CD2-CE3 4.34Å; L195-W221 HydrophobicContact CD2-CH2 4.07Å; L195-W221 HydrophobicContact CD2-CZ3 3.57Å; L195-A222 HydrophobicContact CB-CB 4.43Å; L195-A222 HydrophobicContact CD2-CB 3.78Å; L195-V225 HydrophobicContact CD1-CB 3.81Å; L195-V225 HydrophobicContact CD1-CG1 3.48Å; L195-V225 VanDerWaalsContact CD1-CG1 3.48Å; L195-L226 HydrophobicContact CB-CD1 4.04Å; L195-L226 HydrophobicContact CB-CD2 3.92Å; L195-L226 HydrophobicContact CB-CG 3.72Å; L195-L226 HydrophobicContact CD1-CD2 4.13Å; L195-L226 HydrophobicContact CD1-CG 3.99Å; L195-I229 HydrophobicContact CD1-CD1 3.96Å
196	E	90.4	Very high	83.2	Confident	87 Å²	87	76.1 Å²	76.1	41%	0.407	36%	0.362	S	S	.	.	H	α-helix	trans	-59.4	-43.2	173.9	-75.6	174.2	-175.8	0	0	111.5	R192 I199 K200 L226	R192-E196 HydrophobicContact CG-CG 4.43Å; R192-E196 WeakPolarHBondContact CG-OE1 3.36Å; R192-E196 IonicContact CZ-OE1 2.67Å; R192-E196 IonicContact NE-OE1 3.75Å; R192-E196 PolarHBondContact NE-OE1 3.35Å; R192-E196 WeakPolarHBondContact O-CB 3.2Å; R192-E196 VanDerWaalsContact O-CG 3.28Å; R192-E196 WeakPolarHBondContact O-CG 3.08Å; R192-E196 PolarHBondContact O-N 2.91Å; E196-I199 PolarHBondContact O-N 3.01Å; E196-K200 VanDerWaalsContact O-CB 3.31Å; E196-K200 WeakPolarHBondContact O-CB 3.3Å; E196-K200 PolarHBondContact O-N 2.87Å; E196-L226 HydrophobicContact CG-CD1 4Å; E196-L226 HydrophobicContact CG-CD2 4.25Å
197	D	88	Confident	83.9	Confident	69 Å²	69	75.1 Å²	75.1	37%	0.369	37%	0.367	S	S	.	.	H	α-helix	trans	-67	-39.3	175.8	-175.3	51.3	0	0	0	112.2	T193 E194 L195 K200 K201	T193-D197 PolarHBondContact O-N 3.34Å; T193-D197 VanDerWaalsContact O-N 3.08Å; E194-D197 PolarHBondContact O-N 2.83Å; L195-D197 VanDerWaalsContact C-N 3.33Å; L195-D197 PolarHBondContact O-N 2.77Å; D197-K200 PolarHBondContact O-N 3.48Å; D197-K201 WeakPolarHBondContact O-CB 3.48Å; D197-K201 VanDerWaalsContact O-CG 3.28Å; D197-K201 WeakPolarHBondContact O-CG 3.06Å; D197-K201 PolarHBondContact O-N 3.15Å; D197-K201 WeakPolarHBondContact OD2-CE 3.37Å; D197-K201 IonicContact OD2-NZ 3.76Å; D197-K201 PolarHBondContact OD2-NZ 3.49Å
198	Q	82.1	Confident	84.8	Confident	56 Å²	56	80.7 Å²	80.7	26%	0.262	39%	0.39	S	S	.	.	H	α-helix	trans	-62.5	-44.8	174.6	-73.7	-167.6	32	0	0	112	E194 L195 K201 G202	E194-Q198 WeakPolarHBondContact O-CG 3.42Å; E194-Q198 PolarHBondContact O-N 2.83Å; E194-Q198 PolarHBondContact OE1-NE2 3.29Å; L195-Q198 PolarHBondContact O-N 3.24Å; Q198-K201 PolarHBondContact O-N 3.39Å; Q198-G202 PolarHBondContact O-N 2.84Å
199	I	88	Confident	85.5	Confident	15 Å²	15	81.3 Å²	81.3	8%	0.077	40%	0.401	C	S	.	.	H	α-helix	trans	-62.6	-45	176	-69.5	164.4	0	0	0	110.2	L195 E196 K201 G202 K203 E219 A222 Q223 L226	L195-I199 VanDerWaalsContact O-CG1 3.29Å; L195-I199 WeakPolarHBondContact O-CG1 3.46Å; L195-I199 PolarHBondContact O-N 2.77Å; E196-I199 PolarHBondContact O-N 3.01Å; I199-K201 VanDerWaalsContact C-N 3.33Å; I199-K201 PolarHBondContact O-N 3.17Å; I199-G202 PolarHBondContact O-N 2.85Å; I199-K203 HydrophobicContact CG2-CD 4.03Å; I199-K203 HydrophobicContact CG2-CG 4.42Å; I199-K203 WeakPolarHBondContact O-CB 3.17Å; I199-K203 WeakPolarHBondContact O-CG 3.32Å; I199-K203 PolarHBondContact O-N 3.11Å; I199-E219 HydrophobicContact CG1-CG 4.26Å; I199-E219 HydrophobicContact CG2-CG 4.27Å; I199-A222 HydrophobicContact CD1-CB 4Å; I199-A222 HydrophobicContact CG1-CB 3.74Å; I199-Q223 HydrophobicContact CD1-CG 3.7Å; I199-Q223 HydrophobicContact CG1-CG 4.26Å; I199-L226 HydrophobicContact CD1-CD1 3.34Å; I199-L226 HydrophobicContact CD1-CG 4.48Å
200	K	91.8	Very high	85.8	Confident	153 Å²	153	82.5 Å²	82.5	67%	0.665	42%	0.42	S	S	*	.	H	α-helix	trans	-60.4	-43	177.5	-172.5	178.2	-177.9	177.9	0	111.8	E196 D197 K204	E196-K200 VanDerWaalsContact O-CB 3.31Å; E196-K200 WeakPolarHBondContact O-CB 3.3Å; E196-K200 PolarHBondContact O-N 2.87Å; D197-K200 PolarHBondContact O-N 3.48Å; K200-K204 WeakPolarHBondContact O-CB 3.28Å; K200-K204 PolarHBondContact O-N 3.07Å
201	K	88	Confident	86.3	Confident	117 Å²	117	80.3 Å²	80.3	51%	0.509	41%	0.411	S	S	.	.	H	α-helix	trans	-64.7	-42.3	175	-76.3	168.2	175.3	166.4	0	112	D197 Q198 I199 K204 K205	D197-K201 WeakPolarHBondContact O-CB 3.48Å; D197-K201 VanDerWaalsContact O-CG 3.28Å; D197-K201 WeakPolarHBondContact O-CG 3.06Å; D197-K201 PolarHBondContact O-N 3.15Å; D197-K201 WeakPolarHBondContact OD2-CE 3.37Å; D197-K201 IonicContact OD2-NZ 3.76Å; D197-K201 PolarHBondContact OD2-NZ 3.49Å; Q198-K201 PolarHBondContact O-N 3.39Å; I199-K201 VanDerWaalsContact C-N 3.33Å; I199-K201 PolarHBondContact O-N 3.17Å; K201-K204 PolarHBondContact O-N 2.89Å; K201-K205 PolarHBondContact O-N 3.4Å; K201-K205 VanDerWaalsContact O-N 3.08Å
202	G	86.3	Confident	86.9	Confident	8 Å²	8	80.9 Å²	80.9	8%	0.082	42%	0.419	C	S	.	.	H	α-helix	trans	-59.2	-53.2	175.5	0	0	0	0	0	111.8	Q198 I199 K204 K205 C206	Q198-G202 PolarHBondContact O-N 2.84Å; I199-G202 PolarHBondContact O-N 2.85Å; G202-K204 VanDerWaalsContact C-N 3.31Å; G202-K204 PolarHBondContact O-N 2.69Å; G202-K205 PolarHBondContact O-N 2.99Å; G202-K205 VanDerWaalsContact O-N 3.12Å; G202-C206 PolarHBondContact O-N 2.74Å; G202-C206 PolarHBondContact O-SG 2.64Å
203	K	89.2	Confident	87	Confident	119 Å²	119	82.2 Å²	82.2	52%	0.517	43%	0.43	S	S	.	.	H	α-helix	trans	-56.2	-42.8	176.6	-73.2	179.2	178.3	176.5	0	112.7	I199 C206 S207 E219	I199-K203 HydrophobicContact CG2-CD 4.03Å; I199-K203 HydrophobicContact CG2-CG 4.42Å; I199-K203 WeakPolarHBondContact O-CB 3.17Å; I199-K203 WeakPolarHBondContact O-CG 3.32Å; I199-K203 PolarHBondContact O-N 3.11Å; K203-C206 PolarHBondContact O-N 3.01Å; K203-S207 PolarHBondContact O-N 3.39Å; K203-E219 WeakPolarHBondContact CE-OE1 3.15Å; K203-E219 WeakPolarHBondContact CG-OE1 3.48Å
204	K	90.2	Very high	87	Confident	132 Å²	132	82.3 Å²	82.3	57%	0.574	43%	0.427	S	S	*	.	H	α-helix	trans	-60.9	-48.1	176.3	-174.1	179.1	176	-177.1	0	111.7	K200 K201 G202 C206 S207 E208	K200-K204 WeakPolarHBondContact O-CB 3.28Å; K200-K204 PolarHBondContact O-N 3.07Å; K201-K204 PolarHBondContact O-N 2.89Å; G202-K204 VanDerWaalsContact C-N 3.31Å; G202-K204 PolarHBondContact O-N 2.69Å; K204-C206 VanDerWaalsContact C-N 3.3Å; K204-C206 PolarHBondContact O-N 3.43Å; K204-S207 PolarHBondContact O-N 3.13Å; K204-S207 VanDerWaalsContact O-N 3.12Å; K204-S207 PolarHBondContact O-OG 3.04Å; K204-E208 WeakPolarHBondContact CE-OE1 3.32Å; K204-E208 PolarHBondContact O-N 3.07Å
205	K	84.1	Confident	87.1	Confident	130 Å²	130	79.6 Å²	79.6	57%	0.565	42%	0.415	S	S	*	.	H	α-helix	trans	-59.9	-41.3	177.3	-73.3	-175.7	178.3	-176.5	0	112.2	K201 G202 S207 E208	K201-K205 PolarHBondContact O-N 3.4Å; K201-K205 VanDerWaalsContact O-N 3.08Å; G202-K205 PolarHBondContact O-N 2.99Å; G202-K205 VanDerWaalsContact O-N 3.12Å; K205-S207 PolarHBondContact O-N 3.3Å; K205-E208 PolarHBondContact O-N 3.47Å
206	C	85.3	Confident	87.1	Confident	35 Å²	35	82.5 Å²	82.5	24%	0.236	43%	0.43	C	S	.	.	H	α-helix	trans	-75	-14.7	-179.8	-58.9	0	0	0	0	113.2	G202 K203 K204 G209 C211	G202-C206 PolarHBondContact O-N 2.74Å; G202-C206 PolarHBondContact O-SG 2.64Å; K203-C206 PolarHBondContact O-N 3.01Å; K204-C206 VanDerWaalsContact C-N 3.3Å; K204-C206 PolarHBondContact O-N 3.43Å; C206-G209 VanDerWaalsContact O-O 3.08Å; C206-C211 HydrophobicContact CB-CB 3.53Å; C206-C211 WeakPolarHBondContact CB-SG 3.12Å; C206-C211 WeakPolarHBondContact SG-CB 3.34Å; C206-C211 CovalentContact SG-SG 2.02Å; C206-C211 PolarHBondContact SG-SG 3.3Å
207	S	88	Confident	86.7	Confident	94 Å²	94	84.5 Å²	84.5	66%	0.657	44%	0.437	S	S	*	.	H	α-helix	trans	-82.1	-21.3	168.8	71.1	0	0	0	0	113.7	K203 K204 K205	K203-S207 PolarHBondContact O-N 3.39Å; K204-S207 PolarHBondContact O-N 3.13Å; K204-S207 VanDerWaalsContact O-N 3.12Å; K204-S207 PolarHBondContact O-OG 3.04Å; K205-S207 PolarHBondContact O-N 3.3Å
208	E	89.3	Confident	86.4	Confident	139 Å²	139	87.4 Å²	87.4	65%	0.65	45%	0.447	S	S	*	.	S	Bend	trans	-88.9	-7.6	-178.5	-69.2	172.1	-175.7	0	0	113.1	K204 K205	K204-E208 WeakPolarHBondContact CE-OE1 3.32Å; K204-E208 PolarHBondContact O-N 3.07Å; K205-E208 PolarHBondContact O-N 3.47Å
209	G	88.4	Confident	86.4	Confident	34 Å²	34	86.3 Å²	86.3	35%	0.351	44%	0.442	S	S	.	.	S	Bend	trans	168.9	-169.3	179.5	0	0	0	0	0	113.6	C206 C211	C206-G209 VanDerWaalsContact O-O 3.08Å; G209-C211 PolarHBondContact O-N 3.33Å
210	P	86.8	Confident	86.1	Confident	136 Å²	136	92.2 Å²	92.2	88%	0.883	47%	0.467	S	S	*	.	S	Bend	trans	-54.8	124.8	175.7	-21.2	31.4	0	0	0	110.8	P212	P210-P212 VanDerWaalsContact O-CD 3.27Å; P210-P212 WeakPolarHBondContact O-CD 3.35Å
211	C	87.7	Confident	85.7	Confident	46 Å²	46	91.1 Å²	91.1	31%	0.311	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-73.3	117.7	-175.4	-166.6	0	0	0	0	110.2	C206 G209 I216	C206-C211 HydrophobicContact CB-CB 3.53Å; C206-C211 WeakPolarHBondContact CB-SG 3.12Å; C206-C211 WeakPolarHBondContact SG-CB 3.34Å; C206-C211 CovalentContact SG-SG 2.02Å; C206-C211 PolarHBondContact SG-SG 3.3Å; G209-C211 PolarHBondContact O-N 3.33Å; C211-I216 HydrophobicContact CB-CD1 4.19Å; C211-I216 HydrophobicContact CB-CG1 4.22Å; C211-I216 WeakPolarHBondContact SG-CG1 2.99Å
212	P	88.1	Confident	85.2	Confident	59 Å²	59	85.5 Å²	85.5	38%	0.383	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-62.2	142.1	177.2	-23.8	36.1	0	0	0	111.8	P210 D214 V215 I216	P210-P212 VanDerWaalsContact O-CD 3.27Å; P210-P212 WeakPolarHBondContact O-CD 3.35Å; P212-D214 VanDerWaalsContact C-N 3.25Å; P212-D214 WeakPolarHBondContact CB-OD1 3.22Å; P212-D214 PolarHBondContact O-N 3.39Å; P212-V215 HydrophobicContact CB-CB 4.5Å; P212-V215 HydrophobicContact CB-CG2 4.05Å; P212-V215 HydrophobicContact CG-CG2 4.17Å; P212-V215 WeakPolarHBondContact O-CB 3.16Å; P212-V215 PolarHBondContact O-N 3.5Å; P212-I216 PolarHBondContact O-N 2.98Å
213	E	85.4	Confident	85.1	Confident	131 Å²	131	89.1 Å²	89.1	61%	0.612	45%	0.449	S	S	*	.	H	α-helix	trans	-61.6	-32.8	-174.8	-163.4	-173.6	149.3	0	0	112.9	V215 I216 K217	E213-V215 VanDerWaalsContact C-N 3.34Å; E213-I216 PolarHBondContact O-N 2.94Å; E213-K217 WeakPolarHBondContact O-CG 3.37Å; E213-K217 PolarHBondContact O-N 2.85Å; E213-K217 VanDerWaalsContact OE1-CE 3.24Å; E213-K217 WeakPolarHBondContact OE1-CE 3.16Å; E213-K217 IonicContact OE1-NZ 2.93Å; E213-K217 PolarHBondContact OE1-NZ 3.18Å
214	D	85.6	Confident	84.6	Confident	90 Å²	90	85.9 Å²	85.9	48%	0.481	44%	0.444	S	S	.	.	H	α-helix	trans	-66.4	-35.1	175.4	66.7	-60.7	0	0	0	112.4	P212 K217 K218	P212-D214 VanDerWaalsContact C-N 3.25Å; P212-D214 WeakPolarHBondContact CB-OD1 3.22Å; P212-D214 PolarHBondContact O-N 3.39Å; D214-K217 PolarHBondContact O-N 3.25Å; D214-K218 WeakPolarHBondContact O-CG 3.27Å; D214-K218 PolarHBondContact O-N 2.9Å
215	V	83.4	Confident	83.9	Confident	17 Å²	17	80.7 Å²	80.7	10%	0.103	42%	0.424	C	S	.	.	H	α-helix	trans	-67.9	-42.7	175.1	178.2	0	0	0	0	110.2	P212 E213 K217 K218 E219	P212-V215 HydrophobicContact CB-CB 4.5Å; P212-V215 HydrophobicContact CB-CG2 4.05Å; P212-V215 HydrophobicContact CG-CG2 4.17Å; P212-V215 WeakPolarHBondContact O-CB 3.16Å; P212-V215 PolarHBondContact O-N 3.5Å; E213-V215 VanDerWaalsContact C-N 3.34Å; V215-K217 PolarHBondContact O-N 2.68Å; V215-K218 PolarHBondContact O-N 3.36Å; V215-E219 WeakPolarHBondContact O-CB 3.42Å; V215-E219 PolarHBondContact O-N 2.94Å
216	I	83.4	Confident	83.8	Confident	66 Å²	66	75.4 Å²	75.4	34%	0.338	40%	0.401	S	S	.	.	H	α-helix	trans	-60.6	-45.2	176.1	-61.6	173.3	0	0	0	110.7	C211 P212 E213 E219 K220	C211-I216 HydrophobicContact CB-CD1 4.19Å; C211-I216 HydrophobicContact CB-CG1 4.22Å; C211-I216 WeakPolarHBondContact SG-CG1 2.99Å; P212-I216 PolarHBondContact O-N 2.98Å; E213-I216 PolarHBondContact O-N 2.94Å; I216-E219 PolarHBondContact O-N 3.1Å; I216-K220 HydrophobicContact CG2-CD 4.33Å; I216-K220 WeakPolarHBondContact O-CB 3.49Å; I216-K220 WeakPolarHBondContact O-CG 3.26Å; I216-K220 PolarHBondContact O-N 3.42Å
217	K	82.3	Confident	83.7	Confident	129 Å²	129	78.6 Å²	78.6	56%	0.561	41%	0.413	S	S	*	.	H	α-helix	trans	-62.4	-44.2	178.6	-76.1	176.2	-175.8	161.9	0	111.7	E213 D214 V215 K220 W221	E213-K217 WeakPolarHBondContact O-CG 3.37Å; E213-K217 PolarHBondContact O-N 2.85Å; E213-K217 VanDerWaalsContact OE1-CE 3.24Å; E213-K217 WeakPolarHBondContact OE1-CE 3.16Å; E213-K217 IonicContact OE1-NZ 2.93Å; E213-K217 PolarHBondContact OE1-NZ 3.18Å; D214-K217 PolarHBondContact O-N 3.25Å; V215-K217 PolarHBondContact O-N 2.68Å; K217-K220 PolarHBondContact O-N 3.06Å; K217-W221 WeakPolarHBondContact O-CB 3.32Å; K217-W221 PolarHBondContact O-N 3.29Å
218	K	80.4	Confident	83.2	Confident	129 Å²	129	77.5 Å²	77.5	56%	0.561	40%	0.397	S	S	*	.	H	α-helix	trans	-65.8	-41.5	177.2	-75.3	179.2	179	178.5	0	112.7	D214 V215 W221 A222	D214-K218 WeakPolarHBondContact O-CG 3.27Å; D214-K218 PolarHBondContact O-N 2.9Å; V215-K218 PolarHBondContact O-N 3.36Å; K218-W221 PolarHBondContact O-N 2.9Å; K218-A222 WeakPolarHBondContact O-CB 3.33Å; K218-A222 PolarHBondContact O-N 3.48Å
219	E	83.2	Confident	82.7	Confident	33 Å²	33	71.7 Å²	71.7	15%	0.154	37%	0.371	C	S	.	.	H	α-helix	trans	-63.1	-45.9	176.9	-175.4	179	170.5	0	0	111.3	I199 K203 V215 I216 W221 A222 Q223	I199-E219 HydrophobicContact CG1-CG 4.26Å; I199-E219 HydrophobicContact CG2-CG 4.27Å; K203-E219 WeakPolarHBondContact CE-OE1 3.15Å; K203-E219 WeakPolarHBondContact CG-OE1 3.48Å; V215-E219 WeakPolarHBondContact O-CB 3.42Å; V215-E219 PolarHBondContact O-N 2.94Å; I216-E219 PolarHBondContact O-N 3.1Å; E219-W221 PolarHBondContact O-N 3Å; E219-A222 PolarHBondContact O-N 3.38Å; E219-Q223 WeakPolarHBondContact O-CG 3.31Å; E219-Q223 PolarHBondContact O-N 3.24Å; E219-Q223 PolarHBondContact OE1-NE2 3.49Å; E219-Q223 VanDerWaalsContact OE1-NE2 3.11Å
220	K	82.1	Confident	82.5	Confident	139 Å²	139	74.1 Å²	74.1	60%	0.604	37%	0.373	S	S	*	.	H	α-helix	trans	-61	-44.2	176.4	-76.4	-176.1	176.8	-173.7	0	112.3	I216 K217 Q223 A224	I216-K220 HydrophobicContact CG2-CD 4.33Å; I216-K220 WeakPolarHBondContact O-CB 3.49Å; I216-K220 WeakPolarHBondContact O-CG 3.26Å; I216-K220 PolarHBondContact O-N 3.42Å; K217-K220 PolarHBondContact O-N 3.06Å; K220-Q223 PolarHBondContact O-N 3.01Å; K220-A224 PolarHBondContact O-N 2.92Å
221	W	81.9	Confident	82.2	Confident	130 Å²	130	72.2 Å²	72.2	49%	0.492	35%	0.351	S	S	.	.	H	α-helix	trans	-60.1	-47.3	175	174.3	82.7	0	0	0	111.1	L195 K217 K218 E219 Q223 A224 V225	L195-W221 HydrophobicContact CD2-CE3 4.34Å; L195-W221 HydrophobicContact CD2-CH2 4.07Å; L195-W221 HydrophobicContact CD2-CZ3 3.57Å; K217-W221 WeakPolarHBondContact O-CB 3.32Å; K217-W221 PolarHBondContact O-N 3.29Å; K218-W221 PolarHBondContact O-N 2.9Å; E219-W221 PolarHBondContact O-N 3Å; W221-Q223 VanDerWaalsContact C-N 3.32Å; W221-Q223 PolarHBondContact O-N 3.38Å; W221-A224 PolarHBondContact O-N 3.01Å; W221-V225 HydrophobicContact CD2-CG2 4.18Å; W221-V225 HydrophobicContact CH2-CG2 4.4Å; W221-V225 HydrophobicContact CZ2-CG2 3.85Å; W221-V225 WeakPolarHBondContact O-CG2 3.34Å; W221-V225 PolarHBondContact O-N 3.46Å
222	A	79.1	Confident	81.7	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-63.5	-37.2	179.8	0	0	0	0	0	112.8	L195 I199 K218 E219 L226	L195-A222 HydrophobicContact CB-CB 4.43Å; L195-A222 HydrophobicContact CD2-CB 3.78Å; I199-A222 HydrophobicContact CD1-CB 4Å; I199-A222 HydrophobicContact CG1-CB 3.74Å; K218-A222 WeakPolarHBondContact O-CB 3.33Å; K218-A222 PolarHBondContact O-N 3.48Å; E219-A222 PolarHBondContact O-N 3.38Å; A222-L226 WeakPolarHBondContact O-CB 3.41Å; A222-L226 WeakPolarHBondContact O-CG 3.34Å; A222-L226 PolarHBondContact O-N 3.02Å
223	Q	83.7	Confident	81.3	Confident	83 Å²	83	69.9 Å²	69.9	39%	0.388	34%	0.335	S	S	.	.	H	α-helix	trans	-64.7	-44.5	173.6	-75.4	175.2	4.4	0	0	112	I199 E219 K220 W221 V225 L226 E227	I199-Q223 HydrophobicContact CD1-CG 3.7Å; I199-Q223 HydrophobicContact CG1-CG 4.26Å; E219-Q223 WeakPolarHBondContact O-CG 3.31Å; E219-Q223 PolarHBondContact O-N 3.24Å; E219-Q223 PolarHBondContact OE1-NE2 3.49Å; E219-Q223 VanDerWaalsContact OE1-NE2 3.11Å; K220-Q223 PolarHBondContact O-N 3.01Å; W221-Q223 VanDerWaalsContact C-N 3.32Å; W221-Q223 PolarHBondContact O-N 3.38Å; Q223-V225 VanDerWaalsContact C-N 3.34Å; Q223-V225 PolarHBondContact O-N 3.48Å; Q223-L226 PolarHBondContact O-N 2.88Å; Q223-E227 PolarHBondContact O-N 3.37Å
224	A	78	Confident	81.1	Confident	51 Å²	51	68.5 Å²	68.5	42%	0.421	33%	0.332	S	S	.	.	H	α-helix	trans	-61	-44	177.7	0	0	0	0	0	111.6	K220 W221 E227 E228	K220-A224 PolarHBondContact O-N 2.92Å; W221-A224 PolarHBondContact O-N 3.01Å; A224-E227 PolarHBondContact O-N 3.43Å; A224-E228 PolarHBondContact O-N 3.43Å; A224-E228 VanDerWaalsContact O-N 3.15Å
225	V	75.5	Confident	80.7	Confident	24 Å²	24	65.6 Å²	65.6	15%	0.145	32%	0.315	C	S	.	.	H	α-helix	trans	-66.3	-39.1	177.3	-179.4	0	0	0	0	111.5	M191 L195 W221 Q223 E228 I229	M191-V225 HydrophobicContact CE-CG1 4.15Å; M191-V225 HydrophobicContact SD-CG1 4.32Å; L195-V225 HydrophobicContact CD1-CB 3.81Å; L195-V225 HydrophobicContact CD1-CG1 3.48Å; L195-V225 VanDerWaalsContact CD1-CG1 3.48Å; W221-V225 HydrophobicContact CD2-CG2 4.18Å; W221-V225 HydrophobicContact CH2-CG2 4.4Å; W221-V225 HydrophobicContact CZ2-CG2 3.85Å; W221-V225 WeakPolarHBondContact O-CG2 3.34Å; W221-V225 PolarHBondContact O-N 3.46Å; Q223-V225 VanDerWaalsContact C-N 3.34Å; Q223-V225 PolarHBondContact O-N 3.48Å; V225-E228 PolarHBondContact O-N 3.04Å; V225-I229 HydrophobicContact CG1-CD1 4.31Å; V225-I229 WeakPolarHBondContact O-CG1 3.47Å; V225-I229 PolarHBondContact O-N 3.43Å
226	L	83.2	Confident	80.6	Confident	18 Å²	18	66.4 Å²	66.4	9%	0.094	32%	0.316	C	S	.	.	H	α-helix	trans	-61.7	-43.4	174.4	-83.1	175	0	0	0	112.5	R192 L195 E196 I199 A222 Q223 E228 I229 E230	R192-L226 HydrophobicContact CB-CD2 4.13Å; R192-L226 HydrophobicContact CG-CD2 3.67Å; L195-L226 HydrophobicContact CB-CD1 4.04Å; L195-L226 HydrophobicContact CB-CD2 3.92Å; L195-L226 HydrophobicContact CB-CG 3.72Å; L195-L226 HydrophobicContact CD1-CD2 4.13Å; L195-L226 HydrophobicContact CD1-CG 3.99Å; E196-L226 HydrophobicContact CG-CD1 4Å; E196-L226 HydrophobicContact CG-CD2 4.25Å; I199-L226 HydrophobicContact CD1-CD1 3.34Å; I199-L226 HydrophobicContact CD1-CG 4.48Å; A222-L226 WeakPolarHBondContact O-CB 3.41Å; A222-L226 WeakPolarHBondContact O-CG 3.34Å; A222-L226 PolarHBondContact O-N 3.02Å; Q223-L226 PolarHBondContact O-N 2.88Å; L226-E228 VanDerWaalsContact C-N 3.26Å; L226-E228 PolarHBondContact O-N 3.36Å; L226-I229 PolarHBondContact O-N 2.91Å; L226-E230 WeakPolarHBondContact O-CG 3.05Å; L226-E230 PolarHBondContact O-N 3.41Å
227	E	82.5	Confident	80.4	Confident	103 Å²	103	67.5 Å²	67.5	48%	0.481	32%	0.32	S	S	.	.	H	α-helix	trans	-60.7	-37.8	178.1	-167.4	-173.3	151.1	0	0	111.3	Q223 A224 E230 K231	Q223-E227 PolarHBondContact O-N 3.37Å; A224-E227 PolarHBondContact O-N 3.43Å; E227-E230 PolarHBondContact O-N 2.77Å; E227-K231 WeakPolarHBondContact O-CB 3.18Å; E227-K231 WeakPolarHBondContact O-CG 3.49Å; E227-K231 PolarHBondContact O-N 2.98Å; E227-K231 VanDerWaalsContact OE1-CE 3.26Å; E227-K231 WeakPolarHBondContact OE1-CE 3.42Å; E227-K231 IonicContact OE1-NZ 2.75Å; E227-K231 PolarHBondContact OE1-NZ 3.18Å
228	E	78.3	Confident	80.1	Confident	71 Å²	71	64.5 Å²	64.5	33%	0.332	31%	0.31	S	S	.	.	H	α-helix	trans	-67.3	-41.1	174.3	-73.2	-174.1	-178.9	0	0	113.1	A224 V225 L226 E230 K231 K232 L265	A224-E228 PolarHBondContact O-N 3.43Å; A224-E228 VanDerWaalsContact O-N 3.15Å; V225-E228 PolarHBondContact O-N 3.04Å; L226-E228 VanDerWaalsContact C-N 3.26Å; L226-E228 PolarHBondContact O-N 3.36Å; E228-E230 VanDerWaalsContact C-N 3.31Å; E228-E230 PolarHBondContact O-N 2.84Å; E228-K231 PolarHBondContact O-N 3.19Å; E228-K232 VanDerWaalsContact O-CB 3.3Å; E228-K232 WeakPolarHBondContact O-CB 3.49Å; E228-K232 PolarHBondContact O-N 3.36Å; E228-L265 HydrophobicContact CB-CD1 4.23Å
229	I	77.2	Confident	79.6	Confident	17 Å²	17	58.4 Å²	58.4	9%	0.087	28%	0.284	C	S	.	.	H	α-helix	trans	-62	-41.7	174.9	-65	168	0	0	0	110.5	D188 M191 L195 V225 L226 K232 S233	D188-I229 HydrophobicContact CB-CG2 4.45Å; M191-I229 HydrophobicContact CB-CD1 4.33Å; M191-I229 HydrophobicContact CE-CD1 3.42Å; M191-I229 VanDerWaalsContact CE-CD1 3.42Å; M191-I229 HydrophobicContact CE-CG1 3.74Å; M191-I229 HydrophobicContact CG-CD1 4.01Å; M191-I229 HydrophobicContact SD-CD1 4.49Å; L195-I229 HydrophobicContact CD1-CD1 3.96Å; V225-I229 HydrophobicContact CG1-CD1 4.31Å; V225-I229 WeakPolarHBondContact O-CG1 3.47Å; V225-I229 PolarHBondContact O-N 3.43Å; L226-I229 PolarHBondContact O-N 2.91Å; I229-K232 WeakPolarHBondContact O-CB 3.1Å; I229-K232 PolarHBondContact O-N 2.82Å; I229-S233 PolarHBondContact O-N 3.19Å
230	E	83.8	Confident	79.1	Confident	84 Å²	84	59.6 Å²	59.6	39%	0.393	29%	0.289	S	S	.	.	H	α-helix	trans	-67	-47	178.6	-72.4	-177	163.7	0	0	111.3	R192 L226 E227 E228 K232 S233 D234	R192-E230 IonicContact CZ-OE1 3.28Å; R192-E230 IonicContact NH2-OE1 3.27Å; R192-E230 PolarHBondContact NH2-OE1 3.18Å; L226-E230 WeakPolarHBondContact O-CG 3.05Å; L226-E230 PolarHBondContact O-N 3.41Å; E227-E230 PolarHBondContact O-N 2.77Å; E228-E230 VanDerWaalsContact C-N 3.31Å; E228-E230 PolarHBondContact O-N 2.84Å; E230-K232 VanDerWaalsContact C-N 3.32Å; E230-K232 PolarHBondContact O-N 2.83Å; E230-S233 WeakPolarHBondContact O-CB 3.02Å; E230-S233 PolarHBondContact O-N 3.4Å; E230-D234 PolarHBondContact O-N 3.01Å
231	K	80.9	Confident	78.4	Confident	97 Å²	97	57.1 Å²	57.1	42%	0.422	28%	0.279	S	S	.	.	H	α-helix	trans	-53.9	-49.7	172.2	-77.1	173.3	-174.6	164.5	0	111.3	E227 E228 S233 D234 F235	E227-K231 WeakPolarHBondContact O-CB 3.18Å; E227-K231 WeakPolarHBondContact O-CG 3.49Å; E227-K231 PolarHBondContact O-N 2.98Å; E227-K231 VanDerWaalsContact OE1-CE 3.26Å; E227-K231 WeakPolarHBondContact OE1-CE 3.42Å; E227-K231 IonicContact OE1-NZ 2.75Å; E227-K231 PolarHBondContact OE1-NZ 3.18Å; E228-K231 PolarHBondContact O-N 3.19Å; K231-S233 VanDerWaalsContact C-N 3.28Å; K231-S233 PolarHBondContact O-N 3.46Å; K231-D234 PolarHBondContact O-N 3.34Å; K231-F235 HydrophobicContact CB-CD2 4.34Å; K231-F235 WeakPolarHBondContact O-CB 3.41Å; K231-F235 WeakPolarHBondContact O-CD2 3.42Å; K231-F235 PolarHBondContact O-N 3.28Å
232	K	76.8	Confident	77.5	Confident	6 Å²	6	51.9 Å²	51.9	3%	0.026	26%	0.262	C	S	.	.	H	α-helix	trans	-54.1	-44.2	176.8	177.9	-174	164.9	174.7	0	111.9	I181 L182 D188 E228 I229 E230 W236 F262 L265	I181-K232 WeakPolarHBondContact O-CE 3.43Å; I181-K232 PolarHBondContact O-NZ 2.89Å; L182-K232 HydrophobicContact CD2-CG 4.46Å; L182-K232 WeakPolarHBondContact O-CE 3.33Å; L182-K232 WeakPolarHBondContact O-CG 3.28Å; D188-K232 IonicContact OD1-NZ 2.95Å; D188-K232 PolarHBondContact OD1-NZ 2.06Å; D188-K232 IonicContact OD2-NZ 2.71Å; D188-K232 PolarHBondContact OD2-NZ 3.12Å; E228-K232 VanDerWaalsContact O-CB 3.3Å; E228-K232 WeakPolarHBondContact O-CB 3.49Å; E228-K232 PolarHBondContact O-N 3.36Å; I229-K232 WeakPolarHBondContact O-CB 3.1Å; I229-K232 PolarHBondContact O-N 2.82Å; E230-K232 VanDerWaalsContact C-N 3.32Å; E230-K232 PolarHBondContact O-N 2.83Å; K232-W236 WeakPolarHBondContact O-CB 3.46Å; K232-W236 PolarHBondContact O-N 2.86Å; K232-F262 HydrophobicContact CB-CE1 4.07Å; K232-L265 HydrophobicContact CB-CD1 4.42Å; K232-L265 HydrophobicContact CD-CD1 4.47Å
233	S	80.6	Confident	76.8	Confident	49 Å²	49	54.5 Å²	54.5	34%	0.343	27%	0.271	S	S	.	.	H	α-helix	trans	-63.5	-45.2	177.4	-173.7	0	0	0	0	112.5	I229 E230 K231 W236 Q237	I229-S233 PolarHBondContact O-N 3.19Å; E230-S233 WeakPolarHBondContact O-CB 3.02Å; E230-S233 PolarHBondContact O-N 3.4Å; K231-S233 VanDerWaalsContact C-N 3.28Å; K231-S233 PolarHBondContact O-N 3.46Å; S233-W236 PolarHBondContact O-N 2.83Å; S233-Q237 PolarHBondContact O-N 2.83Å
234	D	81.5	Confident	75.7	Confident	102 Å²	102	52.1 Å²	52.1	55%	0.545	26%	0.26	S	S	.	.	H	α-helix	trans	-65.2	-42.6	179.1	-68.6	-14.5	0	0	0	111.2	E230 K231 W236 Q237 N238	E230-D234 PolarHBondContact O-N 3.01Å; K231-D234 PolarHBondContact O-N 3.34Å; D234-W236 PolarHBondContact O-N 3.46Å; D234-Q237 WeakPolarHBondContact O-CB 3.31Å; D234-Q237 PolarHBondContact O-N 3.25Å; D234-N238 PolarHBondContact O-N 3Å; D234-N238 PolarHBondContact O-ND2 3.41Å
235	F	76.9	Confident	74.6	Confident	29 Å²	29	54.6 Å²	54.6	13%	0.127	27%	0.266	C	S	.	.	H	α-helix	trans	-64.3	-38.8	175.6	-84.8	-67.6	0	0	0	112.7	K231 Q237 N238 M239 Y254 I258 E261 F262	K231-F235 HydrophobicContact CB-CD2 4.34Å; K231-F235 WeakPolarHBondContact O-CB 3.41Å; K231-F235 WeakPolarHBondContact O-CD2 3.42Å; K231-F235 PolarHBondContact O-N 3.28Å; F235-Q237 VanDerWaalsContact C-N 3.33Å; F235-N238 PolarHBondContact O-N 2.97Å; F235-M239 VanDerWaalsContact O-CB 3.23Å; F235-M239 WeakPolarHBondContact O-CB 3.48Å; F235-M239 PolarHBondContact O-N 3.31Å; F235-Y254 HydrophobicContact CD1-CE1 4.18Å; F235-Y254 AromaticContact CD1-CZ 3.98Å; F235-Y254 VanDerWaalsContact CD1-OH 3.26Å; F235-Y254 WeakPolarHBondContact CD1-OH 3.26Å; F235-Y254 WeakPolarHBondContact CE1-OH 3.45Å; F235-I258 HydrophobicContact CD1-CB 4.34Å; F235-I258 HydrophobicContact CD1-CD1 3.41Å; F235-I258 VanDerWaalsContact CD1-CD1 3.41Å; F235-I258 HydrophobicContact CD1-CG1 4.36Å; F235-I258 HydrophobicContact CD1-CG2 4.32Å; F235-I258 HydrophobicContact CE1-CB 3.81Å; F235-I258 HydrophobicContact CE1-CD1 3.81Å; F235-I258 HydrophobicContact CE1-CG1 4.33Å; F235-I258 HydrophobicContact CE1-CG2 3.62Å; F235-I258 HydrophobicContact CG-CD1 4.18Å; F235-I258 HydrophobicContact CZ-CB 4.31Å; F235-I258 HydrophobicContact CZ-CG2 4.36Å; F235-E261 VanDerWaalsContact CZ-OE2 3.3Å; F235-E261 WeakPolarHBondContact CZ-OE2 3.44Å; F235-F262 HydrophobicContact CB-CE2 4.08Å; F235-F262 HydrophobicContact CB-CZ 3.7Å; F235-F262 HydrophobicContact CD1-CE2 4.23Å; F235-F262 HydrophobicContact CD2-CE1 4.25Å; F235-F262 AromaticContact CD2-CE2 3.49Å; F235-F262 HydrophobicContact CD2-CE2 3.49Å; F235-F262 VanDerWaalsContact CD2-CE2 3.49Å; F235-F262 AromaticContact CD2-CZ 3.16Å; F235-F262 HydrophobicContact CD2-CZ 3.16Å; F235-F262 AromaticContact CE2-CE2 3.85Å; F235-F262 HydrophobicContact CE2-CE2 3.85Å; F235-F262 AromaticContact CE2-CZ 3.84Å; F235-F262 HydrophobicContact CE2-CZ 3.84Å; F235-F262 AromaticContact CG-CE2 3.68Å; F235-F262 HydrophobicContact CG-CE2 3.68Å; F235-F262 AromaticContact CG-CZ 3.55Å; F235-F262 HydrophobicContact CG-CZ 3.55Å; F235-F262 HydrophobicContact CZ-CE2 4.37Å
236	W	80.5	Confident	73.5	Confident	34 Å²	34	57.5 Å²	57.5	13%	0.129	28%	0.279	C	S	.	.	H	α-helix	trans	-61.8	-43	173	173.9	-114.8	0	0	0	111.7	E179 L182 K183 K232 S233 D234 M239 K240	E179-W236 HydrophobicContact CB-CH2 3.93Å; E179-W236 HydrophobicContact CB-CZ3 3.85Å; E179-W236 HydrophobicContact CG-CH2 3.41Å; E179-W236 VanDerWaalsContact CG-CH2 3.41Å; E179-W236 HydrophobicContact CG-CZ2 4.25Å; E179-W236 HydrophobicContact CG-CZ3 3.81Å; L182-W236 HydrophobicContact CB-CB 4.14Å; L182-W236 HydrophobicContact CB-CE3 3.9Å; K183-W236 HydrophobicContact CB-CD2 4.11Å; K183-W236 HydrophobicContact CB-CE3 4.4Å; K183-W236 HydrophobicContact CB-CH2 4.49Å; K183-W236 HydrophobicContact CB-CZ2 4.18Å; K183-W236 HydrophobicContact CD-CZ2 4.16Å; K183-W236 HydrophobicContact CG-CZ2 4.08Å; K232-W236 WeakPolarHBondContact O-CB 3.46Å; K232-W236 PolarHBondContact O-N 2.86Å; S233-W236 PolarHBondContact O-N 2.83Å; D234-W236 PolarHBondContact O-N 3.46Å; W236-M239 HydrophobicContact CE3-CE 4.1Å; W236-M239 HydrophobicContact CE3-SD 4.05Å; W236-M239 HydrophobicContact CZ3-CE 3.64Å; W236-M239 HydrophobicContact CZ3-SD 3.63Å; W236-M239 PolarHBondContact O-N 3.38Å; W236-K240 WeakPolarHBondContact O-CB 3.49Å; W236-K240 PolarHBondContact O-N 3.38Å
237	Q	80	Confident	72.5	Confident	90 Å²	90	56.9 Å²	56.9	42%	0.421	28%	0.276	S	S	.	.	H	α-helix	trans	-62.2	-46.3	177.5	-172.2	60	30.2	0	0	111.2	S233 D234 F235 M239 K240 E241	S233-Q237 PolarHBondContact O-N 2.83Å; D234-Q237 WeakPolarHBondContact O-CB 3.31Å; D234-Q237 PolarHBondContact O-N 3.25Å; F235-Q237 VanDerWaalsContact C-N 3.33Å; Q237-M239 PolarHBondContact O-N 3.17Å; Q237-K240 WeakPolarHBondContact O-CB 3.45Å; Q237-K240 PolarHBondContact O-N 3.43Å; Q237-E241 PolarHBondContact NE2-OE1 2.67Å; Q237-E241 WeakPolarHBondContact O-CG 3.49Å; Q237-E241 PolarHBondContact O-N 3.21Å
238	N	75.3	Confident	71.5	Confident	66 Å²	66	53.4 Å²	53.4	35%	0.353	26%	0.262	S	S	.	.	H	α-helix	trans	-60.9	-44	174.1	-68.7	-22.6	0	0	0	112	D234 F235 K240 E241 V242 Y254	D234-N238 PolarHBondContact O-N 3Å; D234-N238 PolarHBondContact O-ND2 3.41Å; F235-N238 PolarHBondContact O-N 2.97Å; N238-K240 VanDerWaalsContact C-N 3.33Å; N238-K240 PolarHBondContact O-N 2.97Å; N238-E241 PolarHBondContact O-N 3.43Å; N238-V242 WeakPolarHBondContact O-CB 3.45Å; N238-V242 VanDerWaalsContact O-CG2 3.26Å; N238-V242 WeakPolarHBondContact O-CG2 3.33Å; N238-V242 PolarHBondContact O-N 3.19Å; N238-Y254 HydrophobicContact CB-CE1 4.09Å; N238-Y254 WeakPolarHBondContact CB-OH 3.3Å; N238-Y254 PolarHBondContact ND2-OH 3.38Å
239	M	71.4	Confident	70.5	Confident	1 Å²	1	50.6 Å²	50.6	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-66.2	-36.5	-179.5	-173.7	-94.9	-117.7	0	0	111.8	F175 I178 L182 F235 W236 Q237 V242 R243 A251 Y254	F175-M239 HydrophobicContact CD2-CE 4.34Å; F175-M239 HydrophobicContact CE1-CE 4.49Å; F175-M239 HydrophobicContact CE2-CE 3.61Å; F175-M239 HydrophobicContact CE2-SD 3.48Å; F175-M239 WeakPolarHBondContact CE2-SD 3.33Å; F175-M239 HydrophobicContact CZ-CE 3.67Å; F175-M239 HydrophobicContact CZ-SD 3.48Å; F175-M239 WeakPolarHBondContact CZ-SD 3.14Å; I178-M239 HydrophobicContact CB-CE 3.91Å; I178-M239 HydrophobicContact CG2-CE 3.26Å; L182-M239 HydrophobicContact CD1-CB 4.45Å; L182-M239 HydrophobicContact CD1-CE 4.3Å; F235-M239 VanDerWaalsContact O-CB 3.23Å; F235-M239 WeakPolarHBondContact O-CB 3.48Å; F235-M239 PolarHBondContact O-N 3.31Å; W236-M239 HydrophobicContact CE3-CE 4.1Å; W236-M239 HydrophobicContact CE3-SD 4.05Å; W236-M239 HydrophobicContact CZ3-CE 3.64Å; W236-M239 HydrophobicContact CZ3-SD 3.63Å; W236-M239 PolarHBondContact O-N 3.38Å; Q237-M239 PolarHBondContact O-N 3.17Å; M239-V242 PolarHBondContact O-N 3.48Å; M239-R243 WeakPolarHBondContact O-CB 3.49Å; M239-R243 PolarHBondContact O-N 3.35Å; M239-A251 HydrophobicContact CG-CB 4.31Å; M239-Y254 HydrophobicContact CB-CD1 4.44Å; M239-Y254 HydrophobicContact CB-CE1 4.43Å
240	K	72.2	Confident	69.8	Low	58 Å²	58	50.4 Å²	50.4	25%	0.252	25%	0.248	S	C	.	.	H	α-helix	trans	-61	-48.5	171.7	-172.9	-176.2	175.8	-170.1	0	110.9	W236 Q237 N238 V242 R243 E244	W236-K240 WeakPolarHBondContact O-CB 3.49Å; W236-K240 PolarHBondContact O-N 3.38Å; Q237-K240 WeakPolarHBondContact O-CB 3.45Å; Q237-K240 PolarHBondContact O-N 3.43Å; N238-K240 VanDerWaalsContact C-N 3.33Å; N238-K240 PolarHBondContact O-N 2.97Å; K240-V242 VanDerWaalsContact C-N 3.35Å; K240-V242 PolarHBondContact O-N 2.99Å; K240-R243 PolarHBondContact O-N 3.08Å; K240-E244 WeakPolarHBondContact CE-OE1 3.35Å; K240-E244 WeakPolarHBondContact CG-OE1 3.38Å; K240-E244 WeakPolarHBondContact O-CB 3.44Å; K240-E244 VanDerWaalsContact O-CG 3.23Å; K240-E244 WeakPolarHBondContact O-CG 3.47Å; K240-E244 PolarHBondContact O-N 2.9Å
241	E	67.8	Low	68.7	Low	86 Å²	86	46.4 Å²	46.4	40%	0.402	23%	0.23	S	C	.	.	H	α-helix	trans	-60.8	-42.4	175.9	-70.8	173	-161.8	0	0	111.8	Q237 N238 E244 L245	Q237-E241 PolarHBondContact NE2-OE1 2.67Å; Q237-E241 WeakPolarHBondContact O-CG 3.49Å; Q237-E241 PolarHBondContact O-N 3.21Å; N238-E241 PolarHBondContact O-N 3.43Å; E241-E244 PolarHBondContact O-N 2.95Å; E241-L245 VanDerWaalsContact O-CB 3.25Å; E241-L245 WeakPolarHBondContact O-CB 3.2Å; E241-L245 WeakPolarHBondContact O-CG 3.41Å; E241-L245 PolarHBondContact O-N 3.09Å
242	V	62.4	Low	67.8	Low	21 Å²	21	42.4 Å²	42.4	13%	0.127	21%	0.213	C	C	.	.	H	α-helix	trans	-63.3	-44.3	176.4	167.6	0	0	0	0	111.8	N238 M239 K240 E244 L245 M246 D250 A251	N238-V242 WeakPolarHBondContact O-CB 3.45Å; N238-V242 VanDerWaalsContact O-CG2 3.26Å; N238-V242 WeakPolarHBondContact O-CG2 3.33Å; N238-V242 PolarHBondContact O-N 3.19Å; M239-V242 PolarHBondContact O-N 3.48Å; K240-V242 VanDerWaalsContact C-N 3.35Å; K240-V242 PolarHBondContact O-N 2.99Å; V242-E244 VanDerWaalsContact C-N 3.29Å; V242-E244 PolarHBondContact O-N 3.46Å; V242-L245 PolarHBondContact O-N 2.98Å; V242-M246 HydrophobicContact CB-CE 4.25Å; V242-M246 HydrophobicContact CG1-CE 3.53Å; V242-M246 HydrophobicContact CG2-CE 4Å; V242-M246 WeakPolarHBondContact O-CB 3.38Å; V242-M246 PolarHBondContact O-N 3.5Å; V242-D250 HydrophobicContact CG1-CB 4.12Å; V242-A251 HydrophobicContact CG1-CB 4.05Å
243	R	64.4	Low	67.2	Low	54 Å²	54	43.3 Å²	43.3	20%	0.204	22%	0.219	C	C	.	.	H	α-helix	trans	-62.8	-40.2	177.1	-168.7	-162.3	-167.2	171.7	3.1	111	E172 F175 E179 M239 K240 A251	E172-R243 IonicContact OE1-NH2 2.86Å; F175-R243 HydrophobicContact CE2-CB 4.38Å; F175-R243 HydrophobicContact CE2-CG 4.06Å; F175-R243 HydrophobicContact CZ-CB 4.44Å; F175-R243 HydrophobicContact CZ-CG 4.04Å; E179-R243 IonicContact OE2-NH1 2.74Å; M239-R243 WeakPolarHBondContact O-CB 3.49Å; M239-R243 PolarHBondContact O-N 3.35Å; K240-R243 PolarHBondContact O-N 3.08Å; R243-A251 HydrophobicContact CB-CB 4.3Å
244	E	61.3	Low	66.4	Low	33 Å²	33	43.5 Å²	43.5	15%	0.154	21%	0.212	C	C	.	.	H	α-helix	trans	-70.7	-33.1	179.4	-74.2	171.6	178.7	0	0	112.8	S18 M21 K240 E241 V242	S18-E244 VanDerWaalsContact CB-CD 3.43Å; S18-E244 WeakPolarHBondContact CB-OE1 3.5Å; S18-E244 WeakPolarHBondContact CB-OE2 3.43Å; S18-E244 VanDerWaalsContact OG-CD 3.25Å; S18-E244 PolarHBondContact OG-OE2 3.33Å; M21-E244 HydrophobicContact CE-CB 4.31Å; M21-E244 HydrophobicContact CE-CG 3.57Å; K240-E244 WeakPolarHBondContact CE-OE1 3.35Å; K240-E244 WeakPolarHBondContact CG-OE1 3.38Å; K240-E244 WeakPolarHBondContact O-CB 3.44Å; K240-E244 VanDerWaalsContact O-CG 3.23Å; K240-E244 WeakPolarHBondContact O-CG 3.47Å; K240-E244 PolarHBondContact O-N 2.9Å; E241-E244 PolarHBondContact O-N 2.95Å; V242-E244 VanDerWaalsContact C-N 3.29Å; V242-E244 PolarHBondContact O-N 3.46Å
245	L	53.9	Low	65.6	Low	103 Å²	103	39 Å²	39	54%	0.539	19%	0.188	S	C	.	.	H	α-helix	trans	-96.4	-39.4	-174.6	-69	171.2	0	0	0	114.6	E241 V242	E241-L245 VanDerWaalsContact O-CB 3.25Å; E241-L245 WeakPolarHBondContact O-CB 3.2Å; E241-L245 WeakPolarHBondContact O-CG 3.41Å; E241-L245 PolarHBondContact O-N 3.09Å; V242-L245 PolarHBondContact O-N 2.98Å
246	M	52.7	Low	65	Low	85 Å²	85	40.9 Å²	40.9	42%	0.419	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.6	-62.7	-162.8	-61.2	-161	-59.7	0	0	113.1	N67 V242 D250	N67-M246 WeakPolarHBondContact CB-O 3.43Å; V242-M246 HydrophobicContact CB-CE 4.25Å; V242-M246 HydrophobicContact CG1-CE 3.53Å; V242-M246 HydrophobicContact CG2-CE 4Å; V242-M246 WeakPolarHBondContact O-CB 3.38Å; V242-M246 PolarHBondContact O-N 3.5Å; M246-D250 HydrophobicContact CB-CB 3.77Å; M246-D250 WeakPolarHBondContact CB-OD2 3.47Å; M246-D250 HydrophobicContact CE-CB 3.72Å
247	S	62.2	Low	64.2	Low	6 Å²	6	46 Å²	46	4%	0.042	23%	0.227	C	C	.	.			trans	168.3	168.5	170.3	60.1	0	0	0	0	110.6	L249 D250 A251	S247-L249 PolarHBondContact O-N 2.79Å; S247-L249 PolarHBondContact OG-N 2.73Å; S247-D250 PolarHBondContact O-N 3.2Å; S247-D250 PolarHBondContact OG-N 3.5Å; S247-D250 PolarHBondContact OG-OD2 2.88Å; S247-A251 PolarHBondContact O-N 3.1Å; S247-A251 VanDerWaalsContact O-N 3.09Å
248	T	61.1	Low	63.4	Low	30 Å²	30	42.2 Å²	42.2	18%	0.184	21%	0.21	C	C	.	.	H	α-helix	trans	-53.8	-33.7	167.2	-54	0	0	0	0	111.9	F175 L252	F175-T248 HydrophobicContact CB-CG2 3.96Å; F175-T248 HydrophobicContact CD2-CG2 4.03Å; F175-T248 HydrophobicContact CG-CG2 4.09Å; T248-L252 HydrophobicContact CG2-CD1 4.22Å; T248-L252 WeakPolarHBondContact O-CB 3.48Å; T248-L252 VanDerWaalsContact O-CG 3.3Å; T248-L252 WeakPolarHBondContact O-CG 3.48Å; T248-L252 PolarHBondContact O-N 3.43Å
249	L	58.1	Low	62.7	Low	11 Å²	11	43 Å²	43	6%	0.058	21%	0.208	C	C	.	.	H	α-helix	trans	-69.8	-42.9	-179.5	-170.9	75.4	0	0	0	112.3	M68 L72 L128 S247 A251 L252 V253	M68-L249 HydrophobicContact CE-CB 4.23Å; M68-L249 HydrophobicContact CE-CD1 4.31Å; M68-L249 HydrophobicContact CG-CB 4.24Å; L72-L249 HydrophobicContact CD2-CD1 4.39Å; L72-L249 HydrophobicContact CD2-CD2 3.31Å; L72-L249 HydrophobicContact CD2-CG 4.49Å; L72-L249 HydrophobicContact CG-CD2 3.67Å; L128-L249 HydrophobicContact CD1-CD1 3.94Å; S247-L249 PolarHBondContact O-N 2.79Å; S247-L249 PolarHBondContact OG-N 2.73Å; L249-A251 VanDerWaalsContact C-N 3.31Å; L249-L252 WeakPolarHBondContact O-CB 3.47Å; L249-L252 PolarHBondContact O-N 3.05Å; L249-V253 VanDerWaalsContact O-CG2 3.22Å; L249-V253 WeakPolarHBondContact O-CG2 3.47Å; L249-V253 PolarHBondContact O-N 2.96Å
250	D	61	Low	62.1	Low	13 Å²	13	47.7 Å²	47.7	7%	0.07	23%	0.233	C	C	.	.	H	α-helix	trans	-72.1	-31.3	178.3	-59	-54.6	0	0	0	111.5	E71 R75 V242 M246 S247 L252 V253 Y254	E71-D250 WeakPolarHBondContact CG-OD2 3.37Å; R75-D250 IonicContact NH2-OD1 2.9Å; R75-D250 PolarHBondContact NH2-OD1 3.28Å; R75-D250 VanDerWaalsContact NH2-OD1 3.14Å; V242-D250 HydrophobicContact CG1-CB 4.12Å; M246-D250 HydrophobicContact CB-CB 3.77Å; M246-D250 WeakPolarHBondContact CB-OD2 3.47Å; M246-D250 HydrophobicContact CE-CB 3.72Å; S247-D250 PolarHBondContact O-N 3.2Å; S247-D250 PolarHBondContact OG-N 3.5Å; S247-D250 PolarHBondContact OG-OD2 2.88Å; D250-L252 VanDerWaalsContact C-N 3.34Å; D250-V253 PolarHBondContact O-N 3.3Å; D250-Y254 WeakPolarHBondContact O-CB 3.25Å; D250-Y254 PolarHBondContact O-N 2.94Å
251	A	61.9	Low	61.5	Low	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-62.5	-42.2	169.2	0	0	0	0	0	111.4	F175 M239 V242 R243 S247 L249 V253 W255	F175-A251 HydrophobicContact CD2-CB 4.15Å; F175-A251 HydrophobicContact CE2-CB 3.75Å; M239-A251 HydrophobicContact CG-CB 4.31Å; V242-A251 HydrophobicContact CG1-CB 4.05Å; R243-A251 HydrophobicContact CB-CB 4.3Å; S247-A251 PolarHBondContact O-N 3.1Å; S247-A251 VanDerWaalsContact O-N 3.09Å; L249-A251 VanDerWaalsContact C-N 3.31Å; A251-V253 VanDerWaalsContact C-N 3.31Å; A251-V253 PolarHBondContact O-N 3.27Å; A251-W255 VanDerWaalsContact O-CB 3.29Å; A251-W255 WeakPolarHBondContact O-CB 3.26Å; A251-W255 PolarHBondContact O-N 3.25Å
252	L	62	Low	61	Low	13 Å²	13	48.1 Å²	48.1	7%	0.068	24%	0.236	C	C	.	.	H	α-helix	trans	-63.5	-37	173.8	-77.8	166.9	0	0	0	112.1	N171 E174 I178 T248 L249 D250 W255 T256	N171-L252 HydrophobicContact CB-CD1 3.75Å; E174-L252 HydrophobicContact CB-CD2 3.94Å; E174-L252 HydrophobicContact CG-CD2 3.72Å; I178-L252 HydrophobicContact CD1-CD2 3.57Å; T248-L252 HydrophobicContact CG2-CD1 4.22Å; T248-L252 WeakPolarHBondContact O-CB 3.48Å; T248-L252 VanDerWaalsContact O-CG 3.3Å; T248-L252 WeakPolarHBondContact O-CG 3.48Å; T248-L252 PolarHBondContact O-N 3.43Å; L249-L252 WeakPolarHBondContact O-CB 3.47Å; L249-L252 PolarHBondContact O-N 3.05Å; D250-L252 VanDerWaalsContact C-N 3.34Å; L252-W255 WeakPolarHBondContact O-CB 3.3Å; L252-W255 PolarHBondContact O-N 2.92Å; L252-T256 WeakPolarHBondContact O-CG2 3.5Å; L252-T256 PolarHBondContact O-N 2.82Å; L252-T256 PolarHBondContact O-OG1 3.18Å
253	V	63.8	Low	60.6	Low	26 Å²	26	50.4 Å²	50.4	16%	0.158	25%	0.247	C	C	.	.	H	α-helix	trans	-78.7	-44.4	-176.9	170.8	0	0	0	0	111.7	R75 L249 D250 A251 W255 T256 E257	R75-V253 VanDerWaalsContact CZ-CG2 3.47Å; R75-V253 VanDerWaalsContact NH2-CB 3.25Å; R75-V253 VanDerWaalsContact NH2-CG1 3.3Å; L249-V253 VanDerWaalsContact O-CG2 3.22Å; L249-V253 WeakPolarHBondContact O-CG2 3.47Å; L249-V253 PolarHBondContact O-N 2.96Å; D250-V253 PolarHBondContact O-N 3.3Å; A251-V253 VanDerWaalsContact C-N 3.31Å; A251-V253 PolarHBondContact O-N 3.27Å; V253-W255 PolarHBondContact O-N 3.49Å; V253-T256 VanDerWaalsContact CA-OG1 3.29Å; V253-T256 WeakPolarHBondContact CA-OG1 3.48Å; V253-T256 PolarHBondContact O-N 3.34Å; V253-T256 PolarHBondContact O-OG1 3.44Å; V253-E257 WeakPolarHBondContact O-CG 3.21Å; V253-E257 PolarHBondContact O-N 3.44Å
254	Y	64.9	Low	59.8	Low	52 Å²	52	52.8 Å²	52.8	20%	0.204	26%	0.26	C	S	.	.	H	α-helix	trans	-50.6	-45.7	166	179.3	-111.3	0	0	0	109.8	F235 N238 M239 D250 E257 I258	F235-Y254 HydrophobicContact CD1-CE1 4.18Å; F235-Y254 AromaticContact CD1-CZ 3.98Å; F235-Y254 VanDerWaalsContact CD1-OH 3.26Å; F235-Y254 WeakPolarHBondContact CD1-OH 3.26Å; F235-Y254 WeakPolarHBondContact CE1-OH 3.45Å; N238-Y254 HydrophobicContact CB-CE1 4.09Å; N238-Y254 WeakPolarHBondContact CB-OH 3.3Å; N238-Y254 PolarHBondContact ND2-OH 3.38Å; M239-Y254 HydrophobicContact CB-CD1 4.44Å; M239-Y254 HydrophobicContact CB-CE1 4.43Å; D250-Y254 WeakPolarHBondContact O-CB 3.25Å; D250-Y254 PolarHBondContact O-N 2.94Å; Y254-E257 PolarHBondContact O-N 3.36Å; Y254-I258 HydrophobicContact CD1-CD1 3.83Å; Y254-I258 HydrophobicContact CD2-CG2 4.31Å; Y254-I258 HydrophobicContact CE1-CD1 3.55Å; Y254-I258 HydrophobicContact CE2-CG2 3.99Å; Y254-I258 VanDerWaalsContact O-CG1 3.31Å; Y254-I258 WeakPolarHBondContact O-CG1 3.22Å; Y254-I258 WeakPolarHBondContact O-CG2 3.44Å; Y254-I258 PolarHBondContact O-N 2.84Å
255	W	63.6	Low	59.3	Low	7 Å²	7	52.4 Å²	52.4	3%	0.027	26%	0.259	C	S	.	.	H	α-helix	trans	-61.5	-46.8	174.7	-172.7	75.6	0	0	0	113.1	E174 I178 I181 A251 L252 V253 E257 I258 R259	E174-W255 WeakPolarHBondContact OE1-CH2 3.26Å; E174-W255 VanDerWaalsContact OE1-CZ3 3.25Å; E174-W255 WeakPolarHBondContact OE1-CZ3 3.48Å; I178-W255 HydrophobicContact CB-CG 4.4Å; I178-W255 HydrophobicContact CD1-CB 3.75Å; I178-W255 HydrophobicContact CD1-CD2 3.39Å; I178-W255 HydrophobicContact CD1-CE3 3.57Å; I178-W255 HydrophobicContact CD1-CG 3.46Å; I178-W255 VanDerWaalsContact CD1-CG 3.46Å; I178-W255 HydrophobicContact CD1-CZ3 4.21Å; I178-W255 HydrophobicContact CG1-CB 4.5Å; I178-W255 HydrophobicContact CG1-CD2 3.51Å; I178-W255 HydrophobicContact CG1-CE3 3.96Å; I178-W255 HydrophobicContact CG1-CG 3.74Å; I178-W255 HydrophobicContact CG1-CH2 4.3Å; I178-W255 HydrophobicContact CG1-CZ2 3.99Å; I178-W255 HydrophobicContact CG1-CZ3 4.3Å; I178-W255 HydrophobicContact CG2-CB 4.31Å; I178-W255 HydrophobicContact CG2-CD2 4.27Å; I178-W255 HydrophobicContact CG2-CG 3.69Å; I181-W255 HydrophobicContact CD1-CZ2 4.37Å; A251-W255 VanDerWaalsContact O-CB 3.29Å; A251-W255 WeakPolarHBondContact O-CB 3.26Å; A251-W255 PolarHBondContact O-N 3.25Å; L252-W255 WeakPolarHBondContact O-CB 3.3Å; L252-W255 PolarHBondContact O-N 2.92Å; V253-W255 PolarHBondContact O-N 3.49Å; W255-E257 PolarHBondContact O-N 2.8Å; W255-I258 WeakPolarHBondContact O-CG1 3.31Å; W255-I258 PolarHBondContact O-N 3.27Å; W255-R259 HydrophobicContact CD2-CB 4.15Å; W255-R259 HydrophobicContact CD2-CG 4.49Å; W255-R259 HydrophobicContact CE3-CB 4.35Å; W255-R259 HydrophobicContact CH2-CB 4.45Å; W255-R259 HydrophobicContact CH2-CG 3.81Å; W255-R259 HydrophobicContact CZ2-CB 4.15Å; W255-R259 VanDerWaalsContact CZ2-CD 3.48Å; W255-R259 HydrophobicContact CZ2-CG 3.59Å; W255-R259 VanDerWaalsContact CZ3-CD 3.45Å; W255-R259 HydrophobicContact CZ3-CG 4.28Å; W255-R259 WeakPolarHBondContact O-CA 2.97Å; W255-R259 WeakPolarHBondContact O-CB 3.42Å; W255-R259 PolarHBondContact O-N 2.85Å
256	T	64.5	Low	59.1	Low	70 Å²	70	50.1 Å²	50.1	43%	0.429	25%	0.245	S	C	.	.	H	α-helix	trans	-61.3	-30	177.4	50.7	0	0	0	0	113.2	L252 V253	L252-T256 WeakPolarHBondContact O-CG2 3.5Å; L252-T256 PolarHBondContact O-N 2.82Å; L252-T256 PolarHBondContact O-OG1 3.18Å; V253-T256 VanDerWaalsContact CA-OG1 3.29Å; V253-T256 WeakPolarHBondContact CA-OG1 3.48Å; V253-T256 PolarHBondContact O-N 3.34Å; V253-T256 PolarHBondContact O-OG1 3.44Å
257	E	64.2	Low	58.8	Low	140 Å²	140	52.7 Å²	52.7	65%	0.654	25%	0.254	S	S	*	.	H	α-helix	trans	-74.3	-36.5	177.1	-71.6	175.7	178.7	0	0	112.1	V253 Y254 W255	V253-E257 WeakPolarHBondContact O-CG 3.21Å; V253-E257 PolarHBondContact O-N 3.44Å; Y254-E257 PolarHBondContact O-N 3.36Å; W255-E257 PolarHBondContact O-N 2.8Å
258	I	63	Low	58	Low	12 Å²	12	55.1 Å²	55.1	6%	0.062	28%	0.275	C	S	.	.	H	α-helix	trans	-96.5	-14.8	-177	71.7	-177.2	0	0	0	113.1	F235 Y254 W255 D260 E261 F262	F235-I258 HydrophobicContact CD1-CB 4.34Å; F235-I258 HydrophobicContact CD1-CD1 3.41Å; F235-I258 VanDerWaalsContact CD1-CD1 3.41Å; F235-I258 HydrophobicContact CD1-CG1 4.36Å; F235-I258 HydrophobicContact CD1-CG2 4.32Å; F235-I258 HydrophobicContact CE1-CB 3.81Å; F235-I258 HydrophobicContact CE1-CD1 3.81Å; F235-I258 HydrophobicContact CE1-CG1 4.33Å; F235-I258 HydrophobicContact CE1-CG2 3.62Å; F235-I258 HydrophobicContact CG-CD1 4.18Å; F235-I258 HydrophobicContact CZ-CB 4.31Å; F235-I258 HydrophobicContact CZ-CG2 4.36Å; Y254-I258 HydrophobicContact CD1-CD1 3.83Å; Y254-I258 HydrophobicContact CD2-CG2 4.31Å; Y254-I258 HydrophobicContact CE1-CD1 3.55Å; Y254-I258 HydrophobicContact CE2-CG2 3.99Å; Y254-I258 VanDerWaalsContact O-CG1 3.31Å; Y254-I258 WeakPolarHBondContact O-CG1 3.22Å; Y254-I258 WeakPolarHBondContact O-CG2 3.44Å; Y254-I258 PolarHBondContact O-N 2.84Å; W255-I258 WeakPolarHBondContact O-CG1 3.31Å; W255-I258 PolarHBondContact O-N 3.27Å; I258-D260 PolarHBondContact O-N 3.23Å; I258-D260 VanDerWaalsContact O-N 3.15Å; I258-E261 WeakPolarHBondContact O-CA 3.29Å; I258-E261 VanDerWaalsContact O-CB 3.25Å; I258-E261 WeakPolarHBondContact O-CB 3.12Å; I258-E261 PolarHBondContact O-N 3.2Å; I258-F262 HydrophobicContact CD1-CE2 4.24Å; I258-F262 HydrophobicContact CG1-CE2 4.32Å; I258-F262 WeakPolarHBondContact O-CD2 3.13Å
259	R	59.9	Low	57.6	Low	81 Å²	81	55 Å²	55	31%	0.306	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-55.1	-38.3	-174.6	179	-176	73.7	-171.1	-2.6	111.3	W255 E261 F262	W255-R259 HydrophobicContact CD2-CB 4.15Å; W255-R259 HydrophobicContact CD2-CG 4.49Å; W255-R259 HydrophobicContact CE3-CB 4.35Å; W255-R259 HydrophobicContact CH2-CB 4.45Å; W255-R259 HydrophobicContact CH2-CG 3.81Å; W255-R259 HydrophobicContact CZ2-CB 4.15Å; W255-R259 VanDerWaalsContact CZ2-CD 3.48Å; W255-R259 HydrophobicContact CZ2-CG 3.59Å; W255-R259 VanDerWaalsContact CZ3-CD 3.45Å; W255-R259 HydrophobicContact CZ3-CG 4.28Å; W255-R259 WeakPolarHBondContact O-CA 2.97Å; W255-R259 WeakPolarHBondContact O-CB 3.42Å; W255-R259 PolarHBondContact O-N 2.85Å; R259-E261 PolarHBondContact O-N 3.24Å; R259-F262 WeakPolarHBondContact O-CA 3.48Å; R259-F262 PolarHBondContact O-N 2.9Å
260	D	58.7	Low	57.6	Low	100 Å²	100	57.3 Å²	57.3	54%	0.535	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-65.6	-22.2	-179.2	-66.3	-8.5	0	0	0	111.9	I258 F262 I263	I258-D260 PolarHBondContact O-N 3.23Å; I258-D260 VanDerWaalsContact O-N 3.15Å; D260-F262 VanDerWaalsContact C-N 3.28Å; D260-F262 PolarHBondContact O-N 3.1Å; D260-I263 HydrophobicContact CB-CD1 4.09Å; D260-I263 VanDerWaalsContact O-CD1 3.29Å; D260-I263 WeakPolarHBondContact O-CD1 3.42Å; D260-I263 VanDerWaalsContact O-CG1 3.29Å; D260-I263 WeakPolarHBondContact O-CG1 3.49Å
261	E	60.7	Low	57.9	Low	139 Å²	139	59 Å²	59	65%	0.65	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-74.1	-18.9	171.7	-55	-171	-178.7	0	0	112.8	F235 I258 R259	F235-E261 VanDerWaalsContact CZ-OE2 3.3Å; F235-E261 WeakPolarHBondContact CZ-OE2 3.44Å; I258-E261 WeakPolarHBondContact O-CA 3.29Å; I258-E261 VanDerWaalsContact O-CB 3.25Å; I258-E261 WeakPolarHBondContact O-CB 3.12Å; I258-E261 PolarHBondContact O-N 3.2Å; R259-E261 PolarHBondContact O-N 3.24Å
262	F	56.7	Low	58.1	Low	15 Å²	15	59.8 Å²	59.8	7%	0.066	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-100.1	10.2	179.1	-71.8	-79.7	0	0	0	113.8	L182 K232 F235 I258 R259 D260 E264 L265 E266	L182-F262 HydrophobicContact CD2-CD2 4.5Å; L182-F262 HydrophobicContact CD2-CE1 4.09Å; L182-F262 HydrophobicContact CD2-CE2 4.02Å; L182-F262 HydrophobicContact CD2-CZ 3.74Å; K232-F262 HydrophobicContact CB-CE1 4.07Å; F235-F262 HydrophobicContact CB-CE2 4.08Å; F235-F262 HydrophobicContact CB-CZ 3.7Å; F235-F262 HydrophobicContact CD1-CE2 4.23Å; F235-F262 HydrophobicContact CD2-CE1 4.25Å; F235-F262 AromaticContact CD2-CE2 3.49Å; F235-F262 HydrophobicContact CD2-CE2 3.49Å; F235-F262 VanDerWaalsContact CD2-CE2 3.49Å; F235-F262 AromaticContact CD2-CZ 3.16Å; F235-F262 HydrophobicContact CD2-CZ 3.16Å; F235-F262 AromaticContact CE2-CE2 3.85Å; F235-F262 HydrophobicContact CE2-CE2 3.85Å; F235-F262 AromaticContact CE2-CZ 3.84Å; F235-F262 HydrophobicContact CE2-CZ 3.84Å; F235-F262 AromaticContact CG-CE2 3.68Å; F235-F262 HydrophobicContact CG-CE2 3.68Å; F235-F262 AromaticContact CG-CZ 3.55Å; F235-F262 HydrophobicContact CG-CZ 3.55Å; F235-F262 HydrophobicContact CZ-CE2 4.37Å; I258-F262 HydrophobicContact CD1-CE2 4.24Å; I258-F262 HydrophobicContact CG1-CE2 4.32Å; I258-F262 WeakPolarHBondContact O-CD2 3.13Å; R259-F262 WeakPolarHBondContact O-CA 3.48Å; R259-F262 PolarHBondContact O-N 2.9Å; D260-F262 VanDerWaalsContact C-N 3.28Å; D260-F262 PolarHBondContact O-N 3.1Å; F262-E264 PolarHBondContact O-N 3.28Å; F262-L265 HydrophobicContact CD1-CB 4.3Å; F262-L265 HydrophobicContact CD1-CD1 4.08Å; F262-L265 HydrophobicContact CE1-CD1 4.4Å; F262-L265 CarbonylContact O-C 3.53Å; F262-L265 WeakPolarHBondContact O-CB 3.34Å; F262-L265 PolarHBondContact O-N 3.18Å; F262-E266 PolarHBondContact O-N 2.87Å
263	I	53.7	Low	58.6	Low	69 Å²	69	62.2 Å²	62.2	35%	0.354	31%	0.309	S	S	.	.	H	α-helix	trans	-54.6	-38.1	-179.3	-73.5	169.2	0	0	0	111.9	D260 E266 K267	D260-I263 HydrophobicContact CB-CD1 4.09Å; D260-I263 VanDerWaalsContact O-CD1 3.29Å; D260-I263 WeakPolarHBondContact O-CD1 3.42Å; D260-I263 VanDerWaalsContact O-CG1 3.29Å; D260-I263 WeakPolarHBondContact O-CG1 3.49Å; I263-E266 PolarHBondContact O-N 3.29Å; I263-K267 HydrophobicContact CG2-CD 4.08Å; I263-K267 VanDerWaalsContact CG2-CE 3.5Å; I263-K267 HydrophobicContact CG2-CG 4.33Å; I263-K267 WeakPolarHBondContact O-CB 3.47Å; I263-K267 VanDerWaalsContact O-CG 3.27Å; I263-K267 WeakPolarHBondContact O-CG 3.35Å; I263-K267 PolarHBondContact O-N 2.85Å
264	E	48.9	Very low	59.2	Low	103 Å²	103	67.4 Å²	67.4	48%	0.481	33%	0.329	S	S	.	.	H	α-helix	trans	-70.4	-35.9	178.8	-65.9	-54.9	133.2	0	0	112.3	F262 K267 A268	F262-E264 PolarHBondContact O-N 3.28Å; E264-K267 PolarHBondContact O-N 3.41Å; E264-K267 IonicContact OE1-NZ 3.9Å; E264-K267 PolarHBondContact OE1-NZ 3.38Å; E264-A268 WeakPolarHBondContact O-CB 3.46Å; E264-A268 PolarHBondContact O-N 3Å
265	L	50.5	Low	59.8	Low	25 Å²	25	71 Å²	71	13%	0.131	35%	0.348	C	S	.	.	H	α-helix	trans	-70.3	-36.6	174.5	-138.4	149.9	0	0	0	110.8	E228 K232 F262 A268 K269	E228-L265 HydrophobicContact CB-CD1 4.23Å; K232-L265 HydrophobicContact CB-CD1 4.42Å; K232-L265 HydrophobicContact CD-CD1 4.47Å; F262-L265 HydrophobicContact CD1-CB 4.3Å; F262-L265 HydrophobicContact CD1-CD1 4.08Å; F262-L265 HydrophobicContact CE1-CD1 4.4Å; F262-L265 CarbonylContact O-C 3.53Å; F262-L265 WeakPolarHBondContact O-CB 3.34Å; F262-L265 PolarHBondContact O-N 3.18Å; L265-A268 PolarHBondContact O-N 3.49Å; L265-K269 WeakPolarHBondContact O-CG 3.11Å; L265-K269 PolarHBondContact O-N 3.49Å
266	E	49.8	Very low	60.8	Low	55 Å²	55	71.8 Å²	71.8	26%	0.257	35%	0.352	S	S	.	.	H	α-helix	trans	-65.2	-43.6	169.1	-83.6	-150.7	141.5	0	0	112.1	F262 I263 A268 K269	F262-E266 PolarHBondContact O-N 2.87Å; I263-E266 PolarHBondContact O-N 3.29Å; E266-A268 VanDerWaalsContact C-N 3.26Å; E266-A268 PolarHBondContact O-N 3.03Å; E266-K269 CarbonylContact O-C 3.59Å; E266-K269 WeakPolarHBondContact O-CA 3.45Å; E266-K269 WeakPolarHBondContact O-CB 3.39Å; E266-K269 PolarHBondContact O-N 3.16Å
267	K	46.1	Very low	61.7	Low	140 Å²	140	71 Å²	71	61%	0.609	34%	0.344	S	S	*	.	H	α-helix	trans	-61.7	-35.1	174.7	-76.4	171.5	-176.4	169.4	0	112	I263 E264 K269	I263-K267 HydrophobicContact CG2-CD 4.08Å; I263-K267 VanDerWaalsContact CG2-CE 3.5Å; I263-K267 HydrophobicContact CG2-CG 4.33Å; I263-K267 WeakPolarHBondContact O-CB 3.47Å; I263-K267 VanDerWaalsContact O-CG 3.27Å; I263-K267 WeakPolarHBondContact O-CG 3.35Å; I263-K267 PolarHBondContact O-N 2.85Å; E264-K267 PolarHBondContact O-N 3.41Å; E264-K267 IonicContact OE1-NZ 3.9Å; E264-K267 PolarHBondContact OE1-NZ 3.38Å; K267-K269 VanDerWaalsContact C-N 3.29Å
268	A	45.8	Very low	62.8	Low	57 Å²	57	69.3 Å²	69.3	47%	0.471	34%	0.337	S	S	.	.	H	α-helix	trans	-72.5	-23.6	174.7	0	0	0	0	0	112.6	E264 L265 E266 L270 R357	E264-A268 WeakPolarHBondContact O-CB 3.46Å; E264-A268 PolarHBondContact O-N 3Å; L265-A268 PolarHBondContact O-N 3.49Å; E266-A268 VanDerWaalsContact C-N 3.26Å; E266-A268 PolarHBondContact O-N 3.03Å; A268-L270 PolarHBondContact O-N 3.35Å; A268-R357 PolarHBondContact O-NH1 2.85Å; A268-R357 PolarHBondContact O-NH2 3.45Å
269	K	52.9	Low	64.1	Low	27 Å²	27	72.9 Å²	72.9	12%	0.117	35%	0.353	C	S	.	.	S	Bend	trans	-84.4	109.7	171.5	-75.4	-169.2	173.8	-146.8	0	109.1	L265 E266 K267 R271 E354	L265-K269 WeakPolarHBondContact O-CG 3.11Å; L265-K269 PolarHBondContact O-N 3.49Å; E266-K269 CarbonylContact O-C 3.59Å; E266-K269 WeakPolarHBondContact O-CA 3.45Å; E266-K269 WeakPolarHBondContact O-CB 3.39Å; E266-K269 PolarHBondContact O-N 3.16Å; K267-K269 VanDerWaalsContact C-N 3.29Å; K269-R271 HydrophobicContact CB-CG 4.22Å; K269-R271 PolarHBondContact O-N 2.84Å; K269-E354 IonicContact NZ-OE1 2.71Å; K269-E354 PolarHBondContact NZ-OE1 3.33Å
270	L	58.1	Low	65.5	Low	59 Å²	59	71.2 Å²	71.2	31%	0.309	35%	0.348	S	S	.	.			trans	-53.8	98.7	170.8	-71.1	160.4	0	0	0	108.9	A268 Y350 M353	A268-L270 PolarHBondContact O-N 3.35Å; L270-Y350 VanDerWaalsContact C-CD1 3.49Å; L270-Y350 VanDerWaalsContact C-CG 3.44Å; L270-Y350 HydrophobicContact CB-CD1 3.5Å; L270-Y350 HydrophobicContact CB-CE1 3.85Å; L270-Y350 HydrophobicContact CB-CG 4.27Å; L270-Y350 HydrophobicContact CD2-CD1 4.48Å; L270-Y350 HydrophobicContact CD2-CE1 4.1Å; L270-Y350 WeakPolarHBondContact O-CB 3.43Å; L270-Y350 WeakPolarHBondContact O-CD1 3.45Å; L270-M353 HydrophobicContact CD1-CB 3.85Å; L270-M353 HydrophobicContact CD1-CE 3.32Å; L270-M353 HydrophobicContact CD1-CG 3.86Å; L270-M353 HydrophobicContact CD1-SD 4.41Å
271	R	65.9	Low	66.9	Low	49 Å²	49	72.5 Å²	72.5	19%	0.185	35%	0.351	C	S	.	.			trans	-144.9	160.4	-176.7	-71.3	-176.1	175.9	-175	-4.1	110.1	K269 Y350 E354	K269-R271 HydrophobicContact CB-CG 4.22Å; K269-R271 PolarHBondContact O-N 2.84Å; R271-Y350 WeakPolarHBondContact O-CE2 3.4Å; R271-E354 IonicContact NH2-OE1 3.55Å; R271-E354 PolarHBondContact NH2-OE1 3.21Å; R271-E354 IonicContact NH2-OE2 3.85Å
272	L	66.3	Low	68.4	Low	16 Å²	16	71.2 Å²	71.2	8%	0.084	35%	0.345	C	S	.	.			trans	-62	138.4	171.6	-70.7	179.1	0	0	0	109.1	E276 I277 L343 R346 E347 Y350	L272-E276 VanDerWaalsContact CA-OE2 3.25Å; L272-E276 WeakPolarHBondContact CA-OE2 3.3Å; L272-E276 HydrophobicContact CB-CB 3.89Å; L272-E276 HydrophobicContact CD2-CB 3.99Å; L272-E276 HydrophobicContact CD2-CG 4.39Å; L272-E276 WeakPolarHBondContact CD2-OE2 3.5Å; L272-E276 HydrophobicContact CG-CB 4.37Å; L272-I277 HydrophobicContact CB-CG1 4.06Å; L272-L343 HydrophobicContact CD2-CD2 4.08Å; L272-R346 HydrophobicContact CD2-CB 4.05Å; L272-R346 HydrophobicContact CD2-CG 3.81Å; L272-E347 HydrophobicContact CD1-CB 3.95Å; L272-E347 HydrophobicContact CD1-CG 4.45Å; L272-E347 HydrophobicContact CG-CB 4.33Å; L272-Y350 HydrophobicContact CD2-CD2 4.44Å; L272-Y350 HydrophobicContact CD2-CE2 4.03Å; L272-Y350 HydrophobicContact CG-CD2 4.34Å; L272-Y350 HydrophobicContact CG-CE2 4.3Å; L272-Y350 VanDerWaalsContact N-CE2 3.29Å
273	T	73.8	Confident	70.1	Confident	65 Å²	65	70.5 Å²	70.5	40%	0.399	34%	0.342	S	S	.	.			trans	-67.3	165	174.9	79.4	0	0	0	0	110.4	E275 E276 I277	T273-E275 VanDerWaalsContact CB-OE2 3.28Å; T273-E275 WeakPolarHBondContact CB-OE2 3.49Å; T273-E275 PolarHBondContact O-N 2.92Å; T273-E275 PolarHBondContact OG1-N 3.03Å; T273-E275 PolarHBondContact OG1-OE2 3.01Å; T273-E276 PolarHBondContact N-OE2 3.15Å; T273-E276 WeakPolarHBondContact O-CB 3.46Å; T273-E276 PolarHBondContact O-N 2.95Å; T273-E276 VanDerWaalsContact O-N 3.07Å; T273-E276 PolarHBondContact OG1-N 3.48Å; T273-I277 WeakPolarHBondContact O-CG1 3.36Å; T273-I277 PolarHBondContact O-N 2.84Å
274	K	76.2	Confident	71.8	Confident	134 Å²	134	69.7 Å²	69.7	58%	0.583	34%	0.338	S	S	*	.	H	α-helix	trans	-56.5	-40.8	175.6	-174.1	-177.4	171.8	-163	0	111.5	E276 I277 E278	K274-E276 VanDerWaalsContact C-N 3.33Å; K274-E276 PolarHBondContact O-N 2.95Å; K274-I277 PolarHBondContact O-N 2.95Å; K274-E278 WeakPolarHBondContact CE-OE1 3.45Å; K274-E278 IonicContact NZ-OE1 2.7Å; K274-E278 WeakPolarHBondContact O-CG 3.26Å; K274-E278 PolarHBondContact O-N 3.3Å
275	E	77.6	Confident	73.7	Confident	129 Å²	129	67.1 Å²	67.1	60%	0.603	33%	0.334	S	S	*	.	H	α-helix	trans	-62.7	-39.9	176.2	-58.8	80.8	-170.8	0	0	112	T273 Q279	T273-E275 VanDerWaalsContact CB-OE2 3.28Å; T273-E275 WeakPolarHBondContact CB-OE2 3.49Å; T273-E275 PolarHBondContact O-N 2.92Å; T273-E275 PolarHBondContact OG1-N 3.03Å; T273-E275 PolarHBondContact OG1-OE2 3.01Å; E275-Q279 VanDerWaalsContact O-CB 3.23Å; E275-Q279 WeakPolarHBondContact O-CB 2.89Å; E275-Q279 PolarHBondContact O-N 3.31Å
276	E	84.2	Confident	75.7	Confident	22 Å²	22	70.1 Å²	70.1	10%	0.103	34%	0.344	C	S	.	.	H	α-helix	trans	-67	-37	177.1	-69.8	-179	127.4	0	0	112.3	L272 T273 K274 K280 L343 R346	L272-E276 VanDerWaalsContact CA-OE2 3.25Å; L272-E276 WeakPolarHBondContact CA-OE2 3.3Å; L272-E276 HydrophobicContact CB-CB 3.89Å; L272-E276 HydrophobicContact CD2-CB 3.99Å; L272-E276 HydrophobicContact CD2-CG 4.39Å; L272-E276 WeakPolarHBondContact CD2-OE2 3.5Å; L272-E276 HydrophobicContact CG-CB 4.37Å; T273-E276 PolarHBondContact N-OE2 3.15Å; T273-E276 WeakPolarHBondContact O-CB 3.46Å; T273-E276 PolarHBondContact O-N 2.95Å; T273-E276 VanDerWaalsContact O-N 3.07Å; T273-E276 PolarHBondContact OG1-N 3.48Å; K274-E276 VanDerWaalsContact C-N 3.33Å; K274-E276 PolarHBondContact O-N 2.95Å; E276-K280 WeakPolarHBondContact O-CB 3.12Å; E276-K280 PolarHBondContact O-N 2.93Å; E276-L343 HydrophobicContact CB-CD2 4.02Å; E276-L343 HydrophobicContact CG-CD2 4.17Å; E276-R346 IonicContact OE1-CZ 3.29Å; E276-R346 IonicContact OE1-NE 3.49Å; E276-R346 IonicContact OE1-NH1 2.92Å; E276-R346 PolarHBondContact OE1-NH1 2.78Å
277	I	83.2	Confident	77.6	Confident	54 Å²	54	69 Å²	69	28%	0.277	34%	0.34	S	S	.	.	H	α-helix	trans	-66.3	-48.6	175.3	-65.5	169.4	0	0	0	110.7	L272 T273 K274 Q279 K280 E281	L272-I277 HydrophobicContact CB-CG1 4.06Å; T273-I277 WeakPolarHBondContact O-CG1 3.36Å; T273-I277 PolarHBondContact O-N 2.84Å; K274-I277 PolarHBondContact O-N 2.95Å; I277-Q279 VanDerWaalsContact C-N 3.28Å; I277-Q279 PolarHBondContact O-N 3.4Å; I277-K280 WeakPolarHBondContact O-CB 3.47Å; I277-K280 PolarHBondContact O-N 2.85Å; I277-K280 VanDerWaalsContact O-N 3.15Å; I277-E281 PolarHBondContact O-N 3.27Å
278	E	86.6	Confident	79.5	Confident	105 Å²	105	68.8 Å²	68.8	49%	0.491	34%	0.335	S	S	.	.	H	α-helix	trans	-60.2	-41.3	176.9	-72.6	177.3	-179.6	0	0	111	K274 K280 E281 E282	K274-E278 WeakPolarHBondContact CE-OE1 3.45Å; K274-E278 IonicContact NZ-OE1 2.7Å; K274-E278 WeakPolarHBondContact O-CG 3.26Å; K274-E278 PolarHBondContact O-N 3.3Å; E278-K280 PolarHBondContact O-N 2.78Å; E278-E281 PolarHBondContact O-N 3.04Å; E278-E282 WeakPolarHBondContact O-CB 3.17Å; E278-E282 PolarHBondContact O-N 3.19Å
279	Q	91.2	Very high	81.7	Confident	86 Å²	86	70 Å²	70	40%	0.402	33%	0.331	S	S	.	.	H	α-helix	trans	-63.2	-40.8	175.5	-173.8	177.4	6.2	0	0	112.1	E275 I277 E282 L283 L343	E275-Q279 VanDerWaalsContact O-CB 3.23Å; E275-Q279 WeakPolarHBondContact O-CB 2.89Å; E275-Q279 PolarHBondContact O-N 3.31Å; I277-Q279 VanDerWaalsContact C-N 3.28Å; I277-Q279 PolarHBondContact O-N 3.4Å; Q279-E282 PolarHBondContact O-N 2.92Å; Q279-L283 HydrophobicContact CG-CD1 3.94Å; Q279-L283 HydrophobicContact CG-CG 4.43Å; Q279-L283 WeakPolarHBondContact O-CB 3.07Å; Q279-L283 WeakPolarHBondContact O-CD1 3.35Å; Q279-L283 WeakPolarHBondContact O-CG 3.29Å; Q279-L283 PolarHBondContact O-N 2.84Å; Q279-L343 HydrophobicContact CB-CD1 4.49Å; Q279-L343 HydrophobicContact CG-CD1 4.29Å
280	K	89	Confident	83.6	Confident	46 Å²	46	70.4 Å²	70.4	20%	0.2	33%	0.333	C	S	.	.	H	α-helix	trans	-59.3	-49	175.7	-171.9	-173.9	171	174.4	0	111	E276 I277 E278 E282 L283 D284 L340 L343 H344 E347	E276-K280 WeakPolarHBondContact O-CB 3.12Å; E276-K280 PolarHBondContact O-N 2.93Å; I277-K280 WeakPolarHBondContact O-CB 3.47Å; I277-K280 PolarHBondContact O-N 2.85Å; I277-K280 VanDerWaalsContact O-N 3.15Å; E278-K280 PolarHBondContact O-N 2.78Å; K280-E282 PolarHBondContact O-N 3.33Å; K280-L283 PolarHBondContact O-N 2.7Å; K280-D284 VanDerWaalsContact O-CB 3.27Å; K280-D284 WeakPolarHBondContact O-CB 3.42Å; K280-D284 PolarHBondContact O-N 3.41Å; K280-L340 HydrophobicContact CB-CD1 4.39Å; K280-L340 HydrophobicContact CG-CD1 3.5Å; K280-L340 VanDerWaalsContact CG-CD1 3.5Å; K280-L343 HydrophobicContact CB-CD1 4.06Å; K280-H344 WeakPolarHBondContact CE-CD2 3.45Å; K280-H344 WeakPolarHBondContact CE-NE2 3.47Å; K280-E347 IonicContact NZ-OE1 2.73Å; K280-E347 IonicContact NZ-OE2 2.79Å; K280-E347 PolarHBondContact NZ-OE2 2.81Å
281	E	88.6	Confident	85.1	Confident	127 Å²	127	69 Å²	69	59%	0.593	33%	0.326	S	S	*	.	H	α-helix	trans	-62.2	-41.4	178.6	-70.2	-179.7	176.7	0	0	112.3	I277 E278 A285	I277-E281 PolarHBondContact O-N 3.27Å; E278-E281 PolarHBondContact O-N 3.04Å; E281-A285 WeakPolarHBondContact O-CB 3.45Å; E281-A285 PolarHBondContact O-N 3.09Å
282	E	92.3	Very high	86.1	Confident	113 Å²	113	72.8 Å²	72.8	53%	0.528	34%	0.34	S	S	.	.	H	α-helix	trans	-66.1	-45.5	178.9	-159.3	-163.8	167.4	0	0	111.9	E278 Q279 K280 A285 R286	E278-E282 WeakPolarHBondContact O-CB 3.17Å; E278-E282 PolarHBondContact O-N 3.19Å; Q279-E282 PolarHBondContact O-N 2.92Å; K280-E282 PolarHBondContact O-N 3.33Å; E282-A285 PolarHBondContact O-N 3.11Å; E282-R286 VanDerWaalsContact CG-NH1 3.35Å; E282-R286 WeakPolarHBondContact O-CG 3.36Å; E282-R286 PolarHBondContact O-N 3Å; E282-R286 IonicContact OE1-NH1 3.06Å; E282-R286 PolarHBondContact OE1-NH1 2.94Å; E282-R286 IonicContact OE2-NH1 3.12Å; E282-R286 PolarHBondContact OE2-NH1 3.24Å
283	L	92	Very high	87.3	Confident	0 Å²	0	75.1 Å²	75.1	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-59.3	-49.1	176.6	-74.1	165.4	0	0	0	111.2	Q279 K280 A285 R286 I287 D336 K339 L340 L343	Q279-L283 HydrophobicContact CG-CD1 3.94Å; Q279-L283 HydrophobicContact CG-CG 4.43Å; Q279-L283 WeakPolarHBondContact O-CB 3.07Å; Q279-L283 WeakPolarHBondContact O-CD1 3.35Å; Q279-L283 WeakPolarHBondContact O-CG 3.29Å; Q279-L283 PolarHBondContact O-N 2.84Å; K280-L283 PolarHBondContact O-N 2.7Å; L283-A285 VanDerWaalsContact C-N 3.33Å; L283-A285 PolarHBondContact O-N 3.45Å; L283-R286 PolarHBondContact O-N 3.35Å; L283-I287 WeakPolarHBondContact O-CD1 3.25Å; L283-I287 VanDerWaalsContact O-CG1 3.29Å; L283-I287 WeakPolarHBondContact O-CG1 3.41Å; L283-I287 PolarHBondContact O-N 3.47Å; L283-D336 HydrophobicContact CD2-CB 3.54Å; L283-D336 VanDerWaalsContact CD2-CG 3.46Å; L283-D336 WeakPolarHBondContact CD2-OD1 3.44Å; L283-K339 HydrophobicContact CD1-CB 3.86Å; L283-K339 HydrophobicContact CD2-CB 4.31Å; L283-K339 HydrophobicContact CD2-CD 4.49Å; L283-L340 HydrophobicContact CB-CB 4.25Å; L283-L340 HydrophobicContact CB-CD1 4.34Å; L283-L340 HydrophobicContact CD1-CB 4.36Å; L283-L343 HydrophobicContact CD1-CD1 3.89Å
284	D	89.2	Confident	88.1	Confident	52 Å²	52	72 Å²	72	28%	0.278	33%	0.333	S	S	.	.	H	α-helix	trans	-63.2	-38.5	179.9	-175.5	35.1	0	0	0	111.7	K280 R288 L340	K280-D284 VanDerWaalsContact O-CB 3.27Å; K280-D284 WeakPolarHBondContact O-CB 3.42Å; K280-D284 PolarHBondContact O-N 3.41Å; D284-R288 VanDerWaalsContact CG-NH2 3.25Å; D284-R288 WeakPolarHBondContact O-CB 3.36Å; D284-R288 WeakPolarHBondContact O-CG 3.36Å; D284-R288 PolarHBondContact O-N 3.2Å; D284-R288 IonicContact OD1-CZ 2.69Å; D284-R288 IonicContact OD1-NH1 2.56Å; D284-R288 PolarHBondContact OD1-NH1 3.48Å; D284-R288 IonicContact OD1-NH2 2.81Å; D284-R288 IonicContact OD2-CZ 3.4Å; D284-R288 IonicContact OD2-NH1 3.88Å; D284-R288 PolarHBondContact OD2-NH1 3.24Å; D284-R288 IonicContact OD2-NH2 3.09Å; D284-R288 PolarHBondContact OD2-NH2 3.29Å; D284-L340 HydrophobicContact CB-CD1 4.45Å; D284-L340 HydrophobicContact CB-CD2 4.02Å
285	A	89.4	Confident	88.6	Confident	49 Å²	49	69.3 Å²	69.3	41%	0.405	32%	0.321	S	S	.	.	H	α-helix	trans	-62.2	-45.4	172.1	0	0	0	0	0	112.8	E281 E282 L283 R288 E289	E281-A285 WeakPolarHBondContact O-CB 3.45Å; E281-A285 PolarHBondContact O-N 3.09Å; E282-A285 PolarHBondContact O-N 3.11Å; L283-A285 VanDerWaalsContact C-N 3.33Å; L283-A285 PolarHBondContact O-N 3.45Å; A285-R288 PolarHBondContact O-N 2.73Å; A285-E289 WeakPolarHBondContact O-CB 3.38Å; A285-E289 PolarHBondContact O-N 2.88Å
286	R	91.5	Very high	89	Confident	87 Å²	87	67.1 Å²	67.1	33%	0.328	32%	0.317	S	S	.	.	H	α-helix	trans	-63.8	-43.4	177.7	-70.7	-164.4	-59	-99.3	3.9	112.2	E282 L283 E289 Q290 D336	E282-R286 VanDerWaalsContact CG-NH1 3.35Å; E282-R286 WeakPolarHBondContact O-CG 3.36Å; E282-R286 PolarHBondContact O-N 3Å; E282-R286 IonicContact OE1-NH1 3.06Å; E282-R286 PolarHBondContact OE1-NH1 2.94Å; E282-R286 IonicContact OE2-NH1 3.12Å; E282-R286 PolarHBondContact OE2-NH1 3.24Å; L283-R286 PolarHBondContact O-N 3.35Å; R286-E289 PolarHBondContact O-N 3.15Å; R286-Q290 WeakPolarHBondContact O-CB 3.42Å; R286-Q290 PolarHBondContact O-N 3.14Å; R286-D336 IonicContact CZ-OD2 2.93Å; R286-D336 IonicContact NE-OD2 2.82Å; R286-D336 PolarHBondContact NE-OD2 2.82Å; R286-D336 IonicContact NH2-OD1 3.03Å; R286-D336 PolarHBondContact NH2-OD1 3.18Å; R286-D336 IonicContact NH2-OD2 2.84Å; R286-D336 PolarHBondContact NH2-OD2 3.18Å; R286-D336 VanDerWaalsContact NH2-OD2 3.09Å
287	I	90.6	Very high	89.4	Confident	33 Å²	33	68.1 Å²	68.1	17%	0.169	33%	0.333	C	S	.	.	H	α-helix	trans	-62.9	-43.6	178.4	-68.3	162.1	0	0	0	110.9	L283 Q290 D291 V333 D336 A337 L340	L283-I287 WeakPolarHBondContact O-CD1 3.25Å; L283-I287 VanDerWaalsContact O-CG1 3.29Å; L283-I287 WeakPolarHBondContact O-CG1 3.41Å; L283-I287 PolarHBondContact O-N 3.47Å; I287-Q290 PolarHBondContact O-N 2.89Å; I287-D291 WeakPolarHBondContact O-CB 3.47Å; I287-D291 PolarHBondContact O-N 3.24Å; I287-V333 HydrophobicContact CG1-CB 4.18Å; I287-V333 HydrophobicContact CG1-CG2 4.24Å; I287-D336 HydrophobicContact CD1-CB 4.44Å; I287-D336 HydrophobicContact CG1-CB 4.33Å; I287-A337 HydrophobicContact CD1-CB 4.09Å; I287-L340 HydrophobicContact CD1-CB 4.26Å; I287-L340 HydrophobicContact CD1-CD2 3.64Å
288	R	86	Confident	89.8	Confident	134 Å²	134	72 Å²	72	51%	0.506	35%	0.35	S	S	.	.	H	α-helix	trans	-64.7	-42.6	176.3	-78.8	-170.3	-71.4	-110.1	-8.2	112.9	D284 A285 Q290 D291 R292	D284-R288 VanDerWaalsContact CG-NH2 3.25Å; D284-R288 WeakPolarHBondContact O-CB 3.36Å; D284-R288 WeakPolarHBondContact O-CG 3.36Å; D284-R288 PolarHBondContact O-N 3.2Å; D284-R288 IonicContact OD1-CZ 2.69Å; D284-R288 IonicContact OD1-NH1 2.56Å; D284-R288 PolarHBondContact OD1-NH1 3.48Å; D284-R288 IonicContact OD1-NH2 2.81Å; D284-R288 IonicContact OD2-CZ 3.4Å; D284-R288 IonicContact OD2-NH1 3.88Å; D284-R288 PolarHBondContact OD2-NH1 3.24Å; D284-R288 IonicContact OD2-NH2 3.09Å; D284-R288 PolarHBondContact OD2-NH2 3.29Å; A285-R288 PolarHBondContact O-N 2.73Å; R288-Q290 VanDerWaalsContact C-N 3.31Å; R288-Q290 PolarHBondContact O-N 2.92Å; R288-D291 PolarHBondContact O-N 2.88Å; R288-R292 PolarHBondContact O-N 2.9Å
289	E	91	Very high	90.1	Very high	83 Å²	83	67 Å²	67	39%	0.388	33%	0.327	S	S	.	.	H	α-helix	trans	-63.8	-41.3	177.6	-179.9	57.1	-168.2	0	0	110.8	A285 R286 R292 I293	A285-E289 WeakPolarHBondContact O-CB 3.38Å; A285-E289 PolarHBondContact O-N 2.88Å; R286-E289 PolarHBondContact O-N 3.15Å; E289-R292 WeakPolarHBondContact O-CB 3.41Å; E289-R292 PolarHBondContact O-N 3.14Å; E289-R292 IonicContact OE1-CZ 2.67Å; E289-R292 IonicContact OE1-NE 3.14Å; E289-R292 PolarHBondContact OE1-NE 3.3Å; E289-R292 IonicContact OE1-NH2 3.7Å; E289-R292 PolarHBondContact OE1-NH2 3.39Å; E289-R292 IonicContact OE2-CZ 2.69Å; E289-R292 IonicContact OE2-NE 3.07Å; E289-R292 PolarHBondContact OE2-NE 2.79Å; E289-R292 IonicContact OE2-NH2 3.46Å; E289-I293 HydrophobicContact CG-CD1 4.02Å; E289-I293 VanDerWaalsContact O-CG1 3.29Å; E289-I293 WeakPolarHBondContact O-CG1 3.27Å; E289-I293 PolarHBondContact O-N 3.25Å
290	Q	92.9	Very high	90.1	Very high	36 Å²	36	63.7 Å²	63.7	17%	0.168	31%	0.314	C	S	.	.	H	α-helix	trans	-62.5	-44.5	173.8	-171.5	60.4	18.5	0	0	111.7	R286 I287 R288 R292 I293 C294 C329 V332 V333	R286-Q290 WeakPolarHBondContact O-CB 3.42Å; R286-Q290 PolarHBondContact O-N 3.14Å; I287-Q290 PolarHBondContact O-N 2.89Å; R288-Q290 VanDerWaalsContact C-N 3.31Å; R288-Q290 PolarHBondContact O-N 2.92Å; Q290-R292 VanDerWaalsContact C-N 3.29Å; Q290-R292 PolarHBondContact O-N 3.45Å; Q290-I293 PolarHBondContact O-N 3.05Å; Q290-C294 WeakPolarHBondContact O-CB 3.42Å; Q290-C294 PolarHBondContact O-N 3.24Å; Q290-C294 PolarHBondContact O-SG 3.03Å; Q290-C329 PolarHBondContact NE2-O 3.39Å; Q290-V332 VanDerWaalsContact CD-CG2 3.41Å; Q290-V332 HydrophobicContact CG-CG2 3.78Å; Q290-V332 VanDerWaalsContact NE2-CG2 3.28Å; Q290-V333 HydrophobicContact CB-CG1 3.82Å; Q290-V333 HydrophobicContact CB-CG2 4.09Å; Q290-V333 HydrophobicContact CG-CG1 3.99Å; Q290-V333 HydrophobicContact CG-CG2 4Å
291	D	89.5	Confident	90.2	Very high	29 Å²	29	66.9 Å²	66.9	16%	0.155	33%	0.333	C	S	.	.	H	α-helix	trans	-57.4	-41.4	175.1	178.8	75.5	0	0	0	112.3	I287 R288 C294 K295 M326 K330	I287-D291 WeakPolarHBondContact O-CB 3.47Å; I287-D291 PolarHBondContact O-N 3.24Å; R288-D291 PolarHBondContact O-N 2.88Å; D291-C294 PolarHBondContact O-N 2.99Å; D291-K295 WeakPolarHBondContact O-CB 3.48Å; D291-K295 VanDerWaalsContact O-CG 3.28Å; D291-K295 WeakPolarHBondContact O-CG 3.36Å; D291-K295 PolarHBondContact O-N 2.98Å; D291-K295 WeakPolarHBondContact OD1-CE 3.3Å; D291-K295 IonicContact OD1-NZ 3.56Å; D291-K295 PolarHBondContact OD1-NZ 3.12Å; D291-K295 WeakPolarHBondContact OD2-CD 3.48Å; D291-K295 WeakPolarHBondContact OD2-CE 3.47Å; D291-K295 IonicContact OD2-NZ 2.62Å; D291-K295 PolarHBondContact OD2-NZ 3.49Å; D291-M326 VanDerWaalsContact OD1-CE 3.26Å; D291-M326 WeakPolarHBondContact OD1-CE 3.42Å; D291-K330 WeakPolarHBondContact OD1-CE 3.25Å; D291-K330 IonicContact OD1-NZ 3.2Å; D291-K330 PolarHBondContact OD1-NZ 3.45Å
292	R	88.5	Confident	90.3	Very high	129 Å²	129	64.9 Å²	64.9	49%	0.487	32%	0.323	S	S	.	.	H	α-helix	trans	-62.8	-50.7	175	-169.3	-173.7	73.9	83.6	0.7	111.1	R288 E289 Q290 C294 K295 T296	R288-R292 PolarHBondContact O-N 2.9Å; E289-R292 WeakPolarHBondContact O-CB 3.41Å; E289-R292 PolarHBondContact O-N 3.14Å; E289-R292 IonicContact OE1-CZ 2.67Å; E289-R292 IonicContact OE1-NE 3.14Å; E289-R292 PolarHBondContact OE1-NE 3.3Å; E289-R292 IonicContact OE1-NH2 3.7Å; E289-R292 PolarHBondContact OE1-NH2 3.39Å; E289-R292 IonicContact OE2-CZ 2.69Å; E289-R292 IonicContact OE2-NE 3.07Å; E289-R292 PolarHBondContact OE2-NE 2.79Å; E289-R292 IonicContact OE2-NH2 3.46Å; Q290-R292 VanDerWaalsContact C-N 3.29Å; Q290-R292 PolarHBondContact O-N 3.45Å; R292-C294 VanDerWaalsContact C-N 3.29Å; R292-C294 PolarHBondContact O-N 3.49Å; R292-K295 PolarHBondContact O-N 2.72Å; R292-T296 PolarHBondContact O-N 3.09Å; R292-T296 PolarHBondContact O-OG1 3.26Å
293	I	91.4	Very high	90	Very high	65 Å²	65	65.2 Å²	65.2	33%	0.333	32%	0.319	S	S	.	.	H	α-helix	trans	-55.7	-46.1	177.6	-70.3	166.8	0	0	0	110.4	E289 Q290 G297	E289-I293 HydrophobicContact CG-CD1 4.02Å; E289-I293 VanDerWaalsContact O-CG1 3.29Å; E289-I293 WeakPolarHBondContact O-CG1 3.27Å; E289-I293 PolarHBondContact O-N 3.25Å; Q290-I293 PolarHBondContact O-N 3.05Å; I293-G297 WeakPolarHBondContact O-CA 3.29Å; I293-G297 PolarHBondContact O-N 3.09Å
294	C	89.9	Confident	89.7	Confident	0 Å²	0	71.5 Å²	71.5	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-61.9	-48.1	176.9	-60.8	0	0	0	0	111.8	Q290 D291 R292 C299 M326 C329	Q290-C294 WeakPolarHBondContact O-CB 3.42Å; Q290-C294 PolarHBondContact O-N 3.24Å; Q290-C294 PolarHBondContact O-SG 3.03Å; D291-C294 PolarHBondContact O-N 2.99Å; R292-C294 VanDerWaalsContact C-N 3.29Å; R292-C294 PolarHBondContact O-N 3.49Å; C294-C299 WeakPolarHBondContact O-CA 3.46Å; C294-C299 VanDerWaalsContact O-CB 3.23Å; C294-C299 WeakPolarHBondContact O-CB 3.18Å; C294-C299 PolarHBondContact O-N 3.3Å; C294-M326 HydrophobicContact CB-CE 3.89Å; C294-M326 HydrophobicContact CB-SD 3.55Å; C294-M326 VanDerWaalsContact CB-SD 3.55Å; C294-C329 WeakPolarHBondContact CA-SG 3.41Å; C294-C329 HydrophobicContact CB-CB 3.77Å; C294-C329 WeakPolarHBondContact CB-SG 3.14Å; C294-C329 WeakPolarHBondContact SG-CB 3.25Å; C294-C329 CovalentContact SG-SG 2.02Å; C294-C329 PolarHBondContact SG-SG 3.18Å
295	K	87	Confident	89.6	Confident	76 Å²	76	71.3 Å²	71.3	33%	0.33	35%	0.352	S	S	.	.	H	α-helix	trans	-67.9	-36.6	-176.7	-77.1	173.3	178.2	167.5	0	114	D291 R292 F322 M326	D291-K295 WeakPolarHBondContact O-CB 3.48Å; D291-K295 VanDerWaalsContact O-CG 3.28Å; D291-K295 WeakPolarHBondContact O-CG 3.36Å; D291-K295 PolarHBondContact O-N 2.98Å; D291-K295 WeakPolarHBondContact OD1-CE 3.3Å; D291-K295 IonicContact OD1-NZ 3.56Å; D291-K295 PolarHBondContact OD1-NZ 3.12Å; D291-K295 WeakPolarHBondContact OD2-CD 3.48Å; D291-K295 WeakPolarHBondContact OD2-CE 3.47Å; D291-K295 IonicContact OD2-NZ 2.62Å; D291-K295 PolarHBondContact OD2-NZ 3.49Å; R292-K295 PolarHBondContact O-N 2.72Å; K295-F322 HydrophobicContact CG-CZ 4.27Å; K295-M326 HydrophobicContact CD-CE 4.44Å; K295-M326 HydrophobicContact CG-CE 3.74Å; K295-M326 HydrophobicContact CG-SD 3.88Å
296	T	86.4	Confident	89.2	Confident	83 Å²	83	71 Å²	71	51%	0.509	34%	0.343	S	S	.	.	H	α-helix	trans	-101.3	-15.8	-175.8	62.3	0	0	0	0	113.9	R292 A300	R292-T296 PolarHBondContact O-N 3.09Å; R292-T296 PolarHBondContact O-OG1 3.26Å; T296-A300 WeakPolarHBondContact O-CB 3.48Å
297	G	92.5	Very high	88.7	Confident	43 Å²	43	73.4 Å²	73.4	44%	0.443	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.1	-103.6	177.1	0	0	0	0	0	111.3	I293 C299 A300	I293-G297 WeakPolarHBondContact O-CA 3.29Å; I293-G297 PolarHBondContact O-N 3.09Å; G297-C299 VanDerWaalsContact C-N 3.27Å; G297-C299 PolarHBondContact O-N 3.17Å; G297-C299 VanDerWaalsContact O-N 3.11Å; G297-A300 WeakPolarHBondContact O-CB 3.41Å; G297-A300 PolarHBondContact O-N 3.1Å
298	E	90.3	Very high	88.4	Confident	137 Å²	137	74.6 Å²	74.6	64%	0.64	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-37.1	-166.3	-64.3	-170.4	170.4	0	0	114.5	C329	E298-C329 WeakPolarHBondContact OE2-CB 3.27Å; E298-C329 PolarHBondContact OE2-SG 3.49Å; E298-C329 VanDerWaalsContact OE2-SG 3.35Å
299	C	93.7	Very high	88.2	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	8.5	-177.6	-50.4	0	0	0	0	113.6	C294 G297 D301 F302 R303 F322 C325 M326	C294-C299 WeakPolarHBondContact O-CA 3.46Å; C294-C299 VanDerWaalsContact O-CB 3.23Å; C294-C299 WeakPolarHBondContact O-CB 3.18Å; C294-C299 PolarHBondContact O-N 3.3Å; G297-C299 VanDerWaalsContact C-N 3.27Å; G297-C299 PolarHBondContact O-N 3.17Å; G297-C299 VanDerWaalsContact O-N 3.11Å; C299-D301 VanDerWaalsContact C-N 3.31Å; C299-D301 PolarHBondContact O-N 2.96Å; C299-F302 PolarHBondContact O-N 3.27Å; C299-R303 PolarHBondContact O-N 3.25Å; C299-R303 VanDerWaalsContact O-N 3.09Å; C299-F322 HydrophobicContact CB-CD2 3.94Å; C299-F322 HydrophobicContact CB-CE2 3.88Å; C299-F322 WeakPolarHBondContact O-CD2 3.38Å; C299-C325 WeakPolarHBondContact CA-SG 3.31Å; C299-C325 HydrophobicContact CB-CB 3.86Å; C299-C325 WeakPolarHBondContact CB-SG 3.46Å; C299-C325 WeakPolarHBondContact SG-CB 3.47Å; C299-C325 PolarHBondContact SG-O 2.91Å; C299-C325 CovalentContact SG-SG 2.04Å; C299-C325 PolarHBondContact SG-SG 3.31Å; C299-M326 HydrophobicContact CB-CG 4.36Å; C299-M326 HydrophobicContact CB-SD 4.03Å; C299-M326 PolarHBondContact SG-N 3.4Å; C299-M326 VanDerWaalsContact SG-N 3.43Å
300	A	90.4	Very high	87.7	Confident	16 Å²	16	73.5 Å²	73.5	13%	0.132	39%	0.385	C	S	.	.	H	α-helix	trans	-62.5	-36.6	-175.7	0	0	0	0	0	113	T296 G297 R303 K304	T296-A300 WeakPolarHBondContact O-CB 3.48Å; G297-A300 WeakPolarHBondContact O-CB 3.41Å; G297-A300 PolarHBondContact O-N 3.1Å; A300-R303 WeakPolarHBondContact O-CB 3.25Å; A300-R303 PolarHBondContact O-N 2.98Å; A300-K304 WeakPolarHBondContact O-CG 3.29Å; A300-K304 PolarHBondContact O-N 3.45Å
301	D	92.1	Very high	87	Confident	113 Å²	113	78.5 Å²	78.5	60%	0.604	41%	0.406	S	S	*	.	H	α-helix	trans	-72.1	-35.5	-178.7	-69.8	-23.3	0	0	0	112.1	C299 R303 K304 A305	C299-D301 VanDerWaalsContact C-N 3.31Å; C299-D301 PolarHBondContact O-N 2.96Å; D301-R303 VanDerWaalsContact C-N 3.33Å; D301-K304 PolarHBondContact O-N 3.36Å; D301-K304 IonicContact OD1-NZ 3.9Å; D301-K304 PolarHBondContact OD1-NZ 3.38Å; D301-K304 VanDerWaalsContact OD1-NZ 3.13Å; D301-A305 WeakPolarHBondContact O-CB 3.29Å; D301-A305 PolarHBondContact O-N 2.93Å
302	F	90.9	Very high	86.1	Confident	84 Å²	84	80.2 Å²	80.2	37%	0.368	42%	0.424	S	S	.	.	H	α-helix	trans	-65.2	-39	170.4	-60.3	-65.3	0	0	0	111.4	C299 K304 A305 I306 F322 C325	C299-F302 PolarHBondContact O-N 3.27Å; F302-K304 PolarHBondContact O-N 2.97Å; F302-A305 WeakPolarHBondContact O-CB 3.47Å; F302-A305 PolarHBondContact O-N 2.95Å; F302-A305 VanDerWaalsContact O-N 3.15Å; F302-I306 WeakPolarHBondContact O-CG1 3.49Å; F302-I306 PolarHBondContact O-N 3.04Å; F302-F322 HydrophobicContact CB-CB 3.7Å; F302-F322 HydrophobicContact CB-CD2 4.04Å; F302-F322 HydrophobicContact CB-CG 4.39Å; F302-C325 HydrophobicContact CD2-CB 3.66Å; F302-C325 HydrophobicContact CE2-CB 3.78Å
303	R	85.1	Confident	85.5	Confident	121 Å²	121	82.1 Å²	82.1	46%	0.457	44%	0.436	S	S	.	.	H	α-helix	trans	-60.7	-43.8	173.5	-172.6	-178.9	174.6	-158.2	-1.3	111.9	C299 A300 D301 A305 I306 L307 F322	C299-R303 PolarHBondContact O-N 3.25Å; C299-R303 VanDerWaalsContact O-N 3.09Å; A300-R303 WeakPolarHBondContact O-CB 3.25Å; A300-R303 PolarHBondContact O-N 2.98Å; D301-R303 VanDerWaalsContact C-N 3.33Å; R303-A305 VanDerWaalsContact C-N 3.31Å; R303-A305 PolarHBondContact O-N 3.38Å; R303-I306 PolarHBondContact O-N 3.27Å; R303-L307 WeakPolarHBondContact O-CG 3.41Å; R303-L307 PolarHBondContact O-N 2.93Å; R303-F322 HydrophobicContact CB-CD2 3.98Å; R303-F322 HydrophobicContact CB-CE2 3.8Å; R303-F322 HydrophobicContact CG-CE2 4.41Å
304	K	86.4	Confident	84.8	Confident	132 Å²	132	82.8 Å²	82.8	57%	0.574	44%	0.441	S	S	*	.	H	α-helix	trans	-62.5	-38.6	173.8	-70.6	171.6	-168.2	157.9	0	111.6	A300 D301 F302 I306 L307 G308	A300-K304 WeakPolarHBondContact O-CG 3.29Å; A300-K304 PolarHBondContact O-N 3.45Å; D301-K304 PolarHBondContact O-N 3.36Å; D301-K304 IonicContact OD1-NZ 3.9Å; D301-K304 PolarHBondContact OD1-NZ 3.38Å; D301-K304 VanDerWaalsContact OD1-NZ 3.13Å; F302-K304 PolarHBondContact O-N 2.97Å; K304-I306 VanDerWaalsContact C-N 3.35Å; K304-I306 PolarHBondContact O-N 3.4Å; K304-L307 PolarHBondContact O-N 2.94Å; K304-G308 PolarHBondContact O-N 2.96Å
305	A	85.6	Confident	83.9	Confident	48 Å²	48	88.9 Å²	88.9	40%	0.397	46%	0.464	S	S	.	.	H	α-helix	trans	-62.4	-40.3	177.3	0	0	0	0	0	112.1	D301 F302 R303 G308 A309 A318	D301-A305 WeakPolarHBondContact O-CB 3.29Å; D301-A305 PolarHBondContact O-N 2.93Å; F302-A305 WeakPolarHBondContact O-CB 3.47Å; F302-A305 PolarHBondContact O-N 2.95Å; F302-A305 VanDerWaalsContact O-N 3.15Å; R303-A305 VanDerWaalsContact C-N 3.31Å; R303-A305 PolarHBondContact O-N 3.38Å; A305-G308 PolarHBondContact O-N 3.41Å; A305-A309 WeakPolarHBondContact O-CB 3.46Å; A305-A309 PolarHBondContact O-N 2.97Å; A305-A318 HydrophobicContact CB-CB 4.03Å
306	I	81.2	Confident	83.2	Confident	43 Å²	43	88.7 Å²	88.7	22%	0.221	47%	0.469	C	S	.	.	H	α-helix	trans	-59.5	-48.2	173.1	-63.5	166.5	0	0	0	110.6	F302 R303 K304 G308 A309 A318 A319 F322	F302-I306 WeakPolarHBondContact O-CG1 3.49Å; F302-I306 PolarHBondContact O-N 3.04Å; R303-I306 PolarHBondContact O-N 3.27Å; K304-I306 VanDerWaalsContact C-N 3.35Å; K304-I306 PolarHBondContact O-N 3.4Å; I306-G308 VanDerWaalsContact C-N 3.34Å; I306-G308 PolarHBondContact O-N 3.18Å; I306-A309 PolarHBondContact O-N 3.02Å; I306-A318 HydrophobicContact CG1-CB 3.79Å; I306-A319 HydrophobicContact CD1-CB 4.2Å; I306-A319 HydrophobicContact CG1-CB 4.33Å; I306-F322 HydrophobicContact CD1-CB 3.63Å; I306-F322 HydrophobicContact CD1-CD1 4.01Å; I306-F322 HydrophobicContact CD1-CG 3.83Å
307	L	82	Confident	82.8	Confident	136 Å²	136	87.8 Å²	87.8	71%	0.712	47%	0.465	S	S	*	.	H	α-helix	trans	-68	-33.6	-177.6	-66.1	173.4	0	0	0	112.5	R303 K304	R303-L307 WeakPolarHBondContact O-CG 3.41Å; R303-L307 PolarHBondContact O-N 2.93Å; K304-L307 PolarHBondContact O-N 2.94Å
308	G	84.7	Confident	82.2	Confident	58 Å²	58	86.3 Å²	86.3	60%	0.598	45%	0.449	S	S	*	.	H	α-helix	trans	-83.1	-16.1	179.6	0	0	0	0	0	114.8	K304 A305 I306 Q310	K304-G308 PolarHBondContact O-N 2.96Å; A305-G308 PolarHBondContact O-N 3.41Å; I306-G308 VanDerWaalsContact C-N 3.34Å; I306-G308 PolarHBondContact O-N 3.18Å; G308-Q310 PolarHBondContact O-N 3.02Å
309	A	80.9	Confident	81.7	Confident	13 Å²	13	80.7 Å²	80.7	11%	0.107	43%	0.426	C	S	.	.			trans	-69.9	121	-176.1	0	0	0	0	0	112	A305 I306 D314 R315	A305-A309 WeakPolarHBondContact O-CB 3.46Å; A305-A309 PolarHBondContact O-N 2.97Å; I306-A309 PolarHBondContact O-N 3.02Å; A309-D314 HydrophobicContact CB-CB 3.97Å; A309-R315 HydrophobicContact CB-CB 4.27Å; A309-R315 HydrophobicContact CB-CG 3.44Å; A309-R315 VanDerWaalsContact CB-CG 3.44Å; A309-R315 PolarHBondContact O-NE 3.11Å; A309-R315 PolarHBondContact O-NH2 3.5Å; A309-R315 VanDerWaalsContact O-NH2 3.11Å
310	Q	79.8	Confident	81.1	Confident	181 Å²	181	82.4 Å²	82.4	85%	0.846	44%	0.435	S	S	*	.			trans	-82.4	-33.6	-179.7	-68.6	-177	-6.1	0	0	112.7	G308	G308-Q310 PolarHBondContact O-N 3.02Å
311	K	78.8	Confident	81.1	Confident	142 Å²	142	84 Å²	84	62%	0.617	45%	0.446	S	S	*	.	S	Bend	trans	-97.9	145.2	-179.1	-59.5	176.3	-178.2	171.7	0	110.4	K313 D314 R315	K311-K313 VanDerWaalsContact C-N 3.31Å; K311-K313 PolarHBondContact O-N 3.49Å; K311-D314 HydrophobicContact CB-CB 4.49Å; K311-D314 WeakPolarHBondContact CB-OD2 3.17Å; K311-D314 PolarHBondContact O-N 2.8Å; K311-R315 PolarHBondContact O-N 3.23Å; K311-R315 VanDerWaalsContact O-N 3.1Å
312	A	71.5	Confident	80.9	Confident	65 Å²	65	79.8 Å²	79.8	54%	0.537	42%	0.422	S	S	.	.	H	α-helix	trans	-58.6	-41.5	178.9	0	0	0	0	0	112.4	D314 R315 V316	A312-D314 VanDerWaalsContact C-N 3.31Å; A312-D314 PolarHBondContact O-N 3.4Å; A312-R315 WeakPolarHBondContact O-CB 3.41Å; A312-R315 PolarHBondContact O-N 3.19Å; A312-V316 WeakPolarHBondContact O-CG2 3.31Å; A312-V316 PolarHBondContact O-N 3.02Å
313	K	74.6	Confident	80.5	Confident	168 Å²	168	78.5 Å²	78.5	73%	0.73	42%	0.416	S	S	*	.	H	α-helix	trans	-59.9	-42.3	178.3	-168.6	176.7	-179.2	179.3	0	112	K311 R315 V316 S317	K311-K313 VanDerWaalsContact C-N 3.31Å; K311-K313 PolarHBondContact O-N 3.49Å; K313-R315 VanDerWaalsContact C-N 3.35Å; K313-V316 PolarHBondContact O-N 3.01Å; K313-S317 PolarHBondContact O-N 3.12Å; K313-S317 VanDerWaalsContact O-N 3.14Å; K313-S317 PolarHBondContact O-OG 2.83Å
314	D	76.3	Confident	80.7	Confident	80 Å²	80	78 Å²	78	43%	0.428	42%	0.423	S	S	.	.	H	α-helix	trans	-69.1	-35	179.7	-54.9	-20.5	0	0	0	111.2	A309 K311 A312 A318	A309-D314 HydrophobicContact CB-CB 3.97Å; K311-D314 HydrophobicContact CB-CB 4.49Å; K311-D314 WeakPolarHBondContact CB-OD2 3.17Å; K311-D314 PolarHBondContact O-N 2.8Å; A312-D314 VanDerWaalsContact C-N 3.31Å; A312-D314 PolarHBondContact O-N 3.4Å; D314-A318 VanDerWaalsContact O-CB 3.27Å; D314-A318 WeakPolarHBondContact O-CB 3.36Å; D314-A318 PolarHBondContact O-N 3.08Å
315	R	71.7	Confident	81	Confident	128 Å²	128	72.8 Å²	72.8	48%	0.483	40%	0.403	S	S	.	.	H	α-helix	trans	-63.6	-43.2	173.2	-78.9	-177.1	-160.7	166.9	7.3	112.5	A309 K311 A312 K313 A318 A319	A309-R315 HydrophobicContact CB-CB 4.27Å; A309-R315 HydrophobicContact CB-CG 3.44Å; A309-R315 VanDerWaalsContact CB-CG 3.44Å; A309-R315 PolarHBondContact O-NE 3.11Å; A309-R315 PolarHBondContact O-NH2 3.5Å; A309-R315 VanDerWaalsContact O-NH2 3.11Å; K311-R315 PolarHBondContact O-N 3.23Å; K311-R315 VanDerWaalsContact O-N 3.1Å; A312-R315 WeakPolarHBondContact O-CB 3.41Å; A312-R315 PolarHBondContact O-N 3.19Å; K313-R315 VanDerWaalsContact C-N 3.35Å; R315-A318 PolarHBondContact O-N 2.62Å; R315-A319 VanDerWaalsContact O-CB 3.25Å; R315-A319 WeakPolarHBondContact O-CB 3.24Å; R315-A319 PolarHBondContact O-N 2.87Å
316	V	72.3	Confident	81.3	Confident	72 Å²	72	71.1 Å²	71.1	44%	0.436	39%	0.387	S	S	.	.	H	α-helix	trans	-61.6	-52.1	178.7	174	0	0	0	0	109.6	A312 K313 A318 A319 D320	A312-V316 WeakPolarHBondContact O-CG2 3.31Å; A312-V316 PolarHBondContact O-N 3.02Å; K313-V316 PolarHBondContact O-N 3.01Å; V316-A318 VanDerWaalsContact C-N 3.3Å; V316-A318 PolarHBondContact O-N 3.4Å; V316-A319 CarbonylContact O-C 3.56Å; V316-A319 WeakPolarHBondContact O-CA 3.4Å; V316-A319 WeakPolarHBondContact O-CB 3.43Å; V316-A319 PolarHBondContact O-N 3.43Å; V316-D320 PolarHBondContact O-N 3.04Å
317	S	78.4	Confident	81.8	Confident	63 Å²	63	77 Å²	77	44%	0.441	41%	0.411	S	S	.	.	H	α-helix	trans	-62	-35.9	178.9	-59	0	0	0	0	113.4	K313 S321	K313-S317 PolarHBondContact O-N 3.12Å; K313-S317 VanDerWaalsContact O-N 3.14Å; K313-S317 PolarHBondContact O-OG 2.83Å; S317-S321 WeakPolarHBondContact O-CB 3.45Å; S317-S321 PolarHBondContact O-N 2.56Å; S317-S321 VanDerWaalsContact O-N 3.14Å; S317-S321 PolarHBondContact O-OG 2.93Å
318	A	79.9	Confident	82.4	Confident	13 Å²	13	78.6 Å²	78.6	11%	0.107	41%	0.412	C	S	.	.	H	α-helix	trans	-68.4	-37	173.7	0	0	0	0	0	112.1	A305 I306 D314 R315 V316 S321 F322	A305-A318 HydrophobicContact CB-CB 4.03Å; I306-A318 HydrophobicContact CG1-CB 3.79Å; D314-A318 VanDerWaalsContact O-CB 3.27Å; D314-A318 WeakPolarHBondContact O-CB 3.36Å; D314-A318 PolarHBondContact O-N 3.08Å; R315-A318 PolarHBondContact O-N 2.62Å; V316-A318 VanDerWaalsContact C-N 3.3Å; V316-A318 PolarHBondContact O-N 3.4Å; A318-S321 PolarHBondContact O-N 2.83Å; A318-F322 WeakPolarHBondContact O-CB 3.26Å; A318-F322 PolarHBondContact O-N 3.48Å
319	A	79.2	Confident	82.8	Confident	18 Å²	18	76 Å²	76	15%	0.149	39%	0.385	C	S	.	.	H	α-helix	trans	-65.3	-48.6	175.4	0	0	0	0	0	110.9	I306 R315 V316 S321 F322 F323	I306-A319 HydrophobicContact CD1-CB 4.2Å; I306-A319 HydrophobicContact CG1-CB 4.33Å; R315-A319 VanDerWaalsContact O-CB 3.25Å; R315-A319 WeakPolarHBondContact O-CB 3.24Å; R315-A319 PolarHBondContact O-N 2.87Å; V316-A319 CarbonylContact O-C 3.56Å; V316-A319 WeakPolarHBondContact O-CA 3.4Å; V316-A319 WeakPolarHBondContact O-CB 3.43Å; V316-A319 PolarHBondContact O-N 3.43Å; A319-S321 PolarHBondContact O-N 3.12Å; A319-F322 CarbonylContact O-C 3.56Å; A319-F322 WeakPolarHBondContact O-CA 3.49Å; A319-F322 WeakPolarHBondContact O-CB 3.49Å; A319-F322 PolarHBondContact O-N 3.49Å; A319-F323 VanDerWaalsContact C-CD2 3.48Å; A319-F323 HydrophobicContact CB-CD2 4.26Å; A319-F323 HydrophobicContact CB-CE2 3.94Å; A319-F323 WeakPolarHBondContact O-CD2 3.41Å; A319-F323 WeakPolarHBondContact O-CG 3.4Å; A319-F323 PolarHBondContact O-N 2.88Å
320	D	82.3	Confident	83.4	Confident	36 Å²	36	78.6 Å²	78.6	19%	0.193	39%	0.394	C	S	.	.	H	α-helix	trans	-54.9	-43.9	175.5	-64.8	-35.3	0	0	0	111.5	V316 F323 N324 N547	V316-D320 PolarHBondContact O-N 3.04Å; D320-F323 PolarHBondContact O-N 3.45Å; D320-N324 WeakPolarHBondContact O-CB 3.5Å; D320-N324 PolarHBondContact O-N 3.26Å; D320-N324 PolarHBondContact O-ND2 3.45Å; D320-N324 VanDerWaalsContact O-ND2 3.1Å; D320-N547 PolarHBondContact OD1-ND2 2.85Å; D320-N547 VanDerWaalsContact OD1-ND2 3.15Å
321	S	89	Confident	84.1	Confident	51 Å²	51	73 Å²	73	36%	0.357	37%	0.374	S	S	.	.	H	α-helix	trans	-65.1	-41.9	178	-58.6	0	0	0	0	111.9	S317 A318 A319 C325	S317-S321 WeakPolarHBondContact O-CB 3.45Å; S317-S321 PolarHBondContact O-N 2.56Å; S317-S321 VanDerWaalsContact O-N 3.14Å; S317-S321 PolarHBondContact O-OG 2.93Å; A318-S321 PolarHBondContact O-N 2.83Å; A319-S321 PolarHBondContact O-N 3.12Å; S321-C325 WeakPolarHBondContact O-CB 3.49Å; S321-C325 PolarHBondContact O-N 3.06Å
322	F	88.4	Confident	84.8	Confident	24 Å²	24	71.2 Å²	71.2	11%	0.105	38%	0.375	C	S	.	.	H	α-helix	trans	-62.6	-43.9	174.2	175.7	-104.6	0	0	0	111.8	K295 C299 F302 R303 I306 A318 A319 C325 M326	K295-F322 HydrophobicContact CG-CZ 4.27Å; C299-F322 HydrophobicContact CB-CD2 3.94Å; C299-F322 HydrophobicContact CB-CE2 3.88Å; C299-F322 WeakPolarHBondContact O-CD2 3.38Å; F302-F322 HydrophobicContact CB-CB 3.7Å; F302-F322 HydrophobicContact CB-CD2 4.04Å; F302-F322 HydrophobicContact CB-CG 4.39Å; R303-F322 HydrophobicContact CB-CD2 3.98Å; R303-F322 HydrophobicContact CB-CE2 3.8Å; R303-F322 HydrophobicContact CG-CE2 4.41Å; I306-F322 HydrophobicContact CD1-CB 3.63Å; I306-F322 HydrophobicContact CD1-CD1 4.01Å; I306-F322 HydrophobicContact CD1-CG 3.83Å; A318-F322 WeakPolarHBondContact O-CB 3.26Å; A318-F322 PolarHBondContact O-N 3.48Å; A319-F322 CarbonylContact O-C 3.56Å; A319-F322 WeakPolarHBondContact O-CA 3.49Å; A319-F322 WeakPolarHBondContact O-CB 3.49Å; A319-F322 PolarHBondContact O-N 3.49Å; F322-C325 WeakPolarHBondContact O-CB 3.22Å; F322-C325 PolarHBondContact O-N 2.82Å; F322-M326 HydrophobicContact CD1-CG 4.11Å; F322-M326 HydrophobicContact CD2-CG 4.22Å; F322-M326 HydrophobicContact CE1-CG 3.68Å; F322-M326 HydrophobicContact CE1-SD 4.46Å; F322-M326 HydrophobicContact CE2-CG 3.8Å; F322-M326 HydrophobicContact CE2-SD 3.93Å; F322-M326 HydrophobicContact CG-CG 4.36Å; F322-M326 HydrophobicContact CZ-CG 3.51Å; F322-M326 HydrophobicContact CZ-SD 3.74Å; F322-M326 WeakPolarHBondContact O-CB 3.36Å; F322-M326 VanDerWaalsContact O-CG 3.27Å; F322-M326 WeakPolarHBondContact O-CG 3.48Å; F322-M326 PolarHBondContact O-N 2.82Å
323	F	81.6	Confident	85.8	Confident	56 Å²	56	68.8 Å²	68.8	25%	0.246	35%	0.354	C	S	.	.	H	α-helix	trans	-66	-45.3	179.5	-73.1	-61.7	0	0	0	112.1	A319 D320 C325 M326 K327 I540 V543	A319-F323 VanDerWaalsContact C-CD2 3.48Å; A319-F323 HydrophobicContact CB-CD2 4.26Å; A319-F323 HydrophobicContact CB-CE2 3.94Å; A319-F323 WeakPolarHBondContact O-CD2 3.41Å; A319-F323 WeakPolarHBondContact O-CG 3.4Å; A319-F323 PolarHBondContact O-N 2.88Å; D320-F323 PolarHBondContact O-N 3.45Å; F323-C325 VanDerWaalsContact C-N 3.25Å; F323-C325 PolarHBondContact O-N 3.47Å; F323-M326 PolarHBondContact O-N 3.42Å; F323-M326 VanDerWaalsContact O-N 3.14Å; F323-K327 WeakPolarHBondContact O-CB 3.45Å; F323-K327 PolarHBondContact O-N 3.02Å; F323-I540 HydrophobicContact CE1-CG1 4.28Å; F323-I540 HydrophobicContact CE1-CG2 3.99Å; F323-I540 HydrophobicContact CZ-CG1 4.46Å; F323-V543 HydrophobicContact CD2-CG1 4.05Å; F323-V543 HydrophobicContact CE2-CB 4.27Å; F323-V543 HydrophobicContact CE2-CG1 3.62Å; F323-V543 HydrophobicContact CZ-CG1 4.39Å
324	N	89.9	Confident	86.6	Confident	111 Å²	111	65.1 Å²	65.1	59%	0.594	34%	0.342	S	S	*	.	H	α-helix	trans	-60.2	-39.1	174.8	-75.2	-38.7	0	0	0	111.6	D320 K328	D320-N324 WeakPolarHBondContact O-CB 3.5Å; D320-N324 PolarHBondContact O-N 3.26Å; D320-N324 PolarHBondContact O-ND2 3.45Å; D320-N324 VanDerWaalsContact O-ND2 3.1Å; N324-K328 WeakPolarHBondContact O-CB 3.48Å; N324-K328 PolarHBondContact O-N 2.99Å; N324-K328 VanDerWaalsContact O-N 3.16Å
325	C	93.3	Very high	87.3	Confident	23 Å²	23	68.1 Å²	68.1	16%	0.155	35%	0.353	C	S	.	.	H	α-helix	trans	-62.7	-49.8	172.1	-178.2	0	0	0	0	111.7	C299 F302 S321 F322 F323 K327 K328 C329	C299-C325 WeakPolarHBondContact CA-SG 3.31Å; C299-C325 HydrophobicContact CB-CB 3.86Å; C299-C325 WeakPolarHBondContact CB-SG 3.46Å; C299-C325 WeakPolarHBondContact SG-CB 3.47Å; C299-C325 PolarHBondContact SG-O 2.91Å; C299-C325 CovalentContact SG-SG 2.04Å; C299-C325 PolarHBondContact SG-SG 3.31Å; F302-C325 HydrophobicContact CD2-CB 3.66Å; F302-C325 HydrophobicContact CE2-CB 3.78Å; S321-C325 WeakPolarHBondContact O-CB 3.49Å; S321-C325 PolarHBondContact O-N 3.06Å; F322-C325 WeakPolarHBondContact O-CB 3.22Å; F322-C325 PolarHBondContact O-N 2.82Å; F323-C325 VanDerWaalsContact C-N 3.25Å; F323-C325 PolarHBondContact O-N 3.47Å; C325-K327 PolarHBondContact O-N 3.46Å; C325-K328 PolarHBondContact O-N 3.07Å; C325-C329 WeakPolarHBondContact O-CB 3.35Å; C325-C329 PolarHBondContact O-N 3.22Å
326	M	92.5	Very high	88.4	Confident	13 Å²	13	63.3 Å²	63.3	6%	0.064	34%	0.337	C	S	.	.	H	α-helix	trans	-60.5	-43.6	-179.3	-75.3	-64.7	-61.8	0	0	111.9	D291 C294 K295 C299 F322 F323 K328 C329 K330	D291-M326 VanDerWaalsContact OD1-CE 3.26Å; D291-M326 WeakPolarHBondContact OD1-CE 3.42Å; C294-M326 HydrophobicContact CB-CE 3.89Å; C294-M326 HydrophobicContact CB-SD 3.55Å; C294-M326 VanDerWaalsContact CB-SD 3.55Å; K295-M326 HydrophobicContact CD-CE 4.44Å; K295-M326 HydrophobicContact CG-CE 3.74Å; K295-M326 HydrophobicContact CG-SD 3.88Å; C299-M326 HydrophobicContact CB-CG 4.36Å; C299-M326 HydrophobicContact CB-SD 4.03Å; C299-M326 PolarHBondContact SG-N 3.4Å; C299-M326 VanDerWaalsContact SG-N 3.43Å; F322-M326 HydrophobicContact CD1-CG 4.11Å; F322-M326 HydrophobicContact CD2-CG 4.22Å; F322-M326 HydrophobicContact CE1-CG 3.68Å; F322-M326 HydrophobicContact CE1-SD 4.46Å; F322-M326 HydrophobicContact CE2-CG 3.8Å; F322-M326 HydrophobicContact CE2-SD 3.93Å; F322-M326 HydrophobicContact CG-CG 4.36Å; F322-M326 HydrophobicContact CZ-CG 3.51Å; F322-M326 HydrophobicContact CZ-SD 3.74Å; F322-M326 WeakPolarHBondContact O-CB 3.36Å; F322-M326 VanDerWaalsContact O-CG 3.27Å; F322-M326 WeakPolarHBondContact O-CG 3.48Å; F322-M326 PolarHBondContact O-N 2.82Å; F323-M326 PolarHBondContact O-N 3.42Å; F323-M326 VanDerWaalsContact O-N 3.14Å; M326-K328 PolarHBondContact O-N 3.19Å; M326-C329 PolarHBondContact O-N 2.84Å; M326-K330 HydrophobicContact CE-CD 4.22Å; M326-K330 VanDerWaalsContact CE-CE 3.49Å; M326-K330 VanDerWaalsContact O-CB 3.25Å; M326-K330 WeakPolarHBondContact O-CB 3.28Å; M326-K330 VanDerWaalsContact O-CG 3.31Å; M326-K330 WeakPolarHBondContact O-CG 3.35Å; M326-K330 PolarHBondContact O-N 3.05Å
327	K	91.4	Very high	89.2	Confident	166 Å²	166	61.7 Å²	61.7	72%	0.722	33%	0.332	S	S	*	.	H	α-helix	trans	-58.9	-47.1	176.3	-175.6	174	-177.2	171	0	111.2	F323 C325 S331	F323-K327 WeakPolarHBondContact O-CB 3.45Å; F323-K327 PolarHBondContact O-N 3.02Å; C325-K327 PolarHBondContact O-N 3.46Å; K327-S331 PolarHBondContact O-N 3.02Å; K327-S331 VanDerWaalsContact O-N 3.17Å
328	K	93.3	Very high	89.7	Confident	169 Å²	169	63.3 Å²	63.3	74%	0.735	33%	0.332	S	S	*	.	H	α-helix	trans	-67.2	-40.9	177.8	-171.5	-179.4	178.6	-174.6	0	112.5	N324 C325 M326 S331	N324-K328 WeakPolarHBondContact O-CB 3.48Å; N324-K328 PolarHBondContact O-N 2.99Å; N324-K328 VanDerWaalsContact O-N 3.16Å; C325-K328 PolarHBondContact O-N 3.07Å; M326-K328 PolarHBondContact O-N 3.19Å; K328-S331 PolarHBondContact O-N 3.49Å; K328-S331 PolarHBondContact O-OG 3.21Å
329	C	92.8	Very high	90.3	Very high	4 Å²	4	67.2 Å²	67.2	3%	0.027	35%	0.347	C	S	.	.	H	α-helix	trans	-70.4	-34.5	180	177.2	0	0	0	0	111.9	Q290 C294 E298 C325 M326 S331	Q290-C329 PolarHBondContact NE2-O 3.39Å; C294-C329 WeakPolarHBondContact CA-SG 3.41Å; C294-C329 HydrophobicContact CB-CB 3.77Å; C294-C329 WeakPolarHBondContact CB-SG 3.14Å; C294-C329 WeakPolarHBondContact SG-CB 3.25Å; C294-C329 CovalentContact SG-SG 2.02Å; C294-C329 PolarHBondContact SG-SG 3.18Å; E298-C329 WeakPolarHBondContact OE2-CB 3.27Å; E298-C329 PolarHBondContact OE2-SG 3.49Å; E298-C329 VanDerWaalsContact OE2-SG 3.35Å; C325-C329 WeakPolarHBondContact O-CB 3.35Å; C325-C329 PolarHBondContact O-N 3.22Å; M326-C329 PolarHBondContact O-N 2.84Å; C329-S331 VanDerWaalsContact C-N 3.34Å
330	K	93.6	Very high	90.8	Very high	68 Å²	68	67.2 Å²	67.2	30%	0.296	34%	0.344	S	S	.	.	H	α-helix	trans	-78.2	-14.7	176.9	-75.3	180	165.9	-179.4	0	114.1	D291 M326 V332 V333	D291-K330 WeakPolarHBondContact OD1-CE 3.25Å; D291-K330 IonicContact OD1-NZ 3.2Å; D291-K330 PolarHBondContact OD1-NZ 3.45Å; M326-K330 HydrophobicContact CE-CD 4.22Å; M326-K330 VanDerWaalsContact CE-CE 3.49Å; M326-K330 VanDerWaalsContact O-CB 3.25Å; M326-K330 WeakPolarHBondContact O-CB 3.28Å; M326-K330 VanDerWaalsContact O-CG 3.31Å; M326-K330 WeakPolarHBondContact O-CG 3.35Å; M326-K330 PolarHBondContact O-N 3.05Å; K330-V332 PolarHBondContact O-N 2.99Å; K330-V333 WeakPolarHBondContact O-CG2 3.34Å; K330-V333 PolarHBondContact O-N 3.42Å
331	S	94.4	Very high	91	Very high	62 Å²	62	70.7 Å²	70.7	43%	0.434	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-60.5	-18.6	-175.6	75.2	0	0	0	0	113.9	K327 K328 C329 V333 D334	K327-S331 PolarHBondContact O-N 3.02Å; K327-S331 VanDerWaalsContact O-N 3.17Å; K328-S331 PolarHBondContact O-N 3.49Å; K328-S331 PolarHBondContact O-OG 3.21Å; C329-S331 VanDerWaalsContact C-N 3.34Å; S331-V333 PolarHBondContact O-N 2.9Å; S331-D334 VanDerWaalsContact CA-CG 3.47Å; S331-D334 WeakPolarHBondContact CA-OD1 3.46Å; S331-D334 VanDerWaalsContact CA-OD2 3.28Å; S331-D334 WeakPolarHBondContact CA-OD2 3.43Å; S331-D334 WeakPolarHBondContact CB-OD2 3.48Å; S331-D334 PolarHBondContact O-N 3.14Å
332	V	94	Very high	90.8	Very high	105 Å²	105	73.6 Å²	73.6	64%	0.636	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-68.6	-20.8	175	-56.5	0	0	0	0	113.4	Q290 K330	Q290-V332 VanDerWaalsContact CD-CG2 3.41Å; Q290-V332 HydrophobicContact CG-CG2 3.78Å; Q290-V332 VanDerWaalsContact NE2-CG2 3.28Å; K330-V332 PolarHBondContact O-N 2.99Å
333	V	93.8	Very high	90.7	Very high	15 Å²	15	73.1 Å²	73.1	9%	0.091	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-109.6	13.4	176.4	-65.4	0	0	0	0	113	I287 Q290 K330 S331 Q335 D336 A337	I287-V333 HydrophobicContact CG1-CB 4.18Å; I287-V333 HydrophobicContact CG1-CG2 4.24Å; Q290-V333 HydrophobicContact CB-CG1 3.82Å; Q290-V333 HydrophobicContact CB-CG2 4.09Å; Q290-V333 HydrophobicContact CG-CG1 3.99Å; Q290-V333 HydrophobicContact CG-CG2 4Å; K330-V333 WeakPolarHBondContact O-CG2 3.34Å; K330-V333 PolarHBondContact O-N 3.42Å; S331-V333 PolarHBondContact O-N 2.9Å; V333-Q335 VanDerWaalsContact C-N 3.34Å; V333-Q335 PolarHBondContact O-N 2.68Å; V333-D336 HydrophobicContact CB-CB 4.35Å; V333-D336 WeakPolarHBondContact O-CB 3.41Å; V333-D336 PolarHBondContact O-N 2.87Å; V333-A337 PolarHBondContact O-N 2.72Å
334	D	91.1	Very high	90.7	Very high	91 Å²	91	74 Å²	74	49%	0.487	37%	0.369	S	S	.	.	H	α-helix	trans	-59.3	-42.8	-178.8	-75.4	-12.7	0	0	0	112.3	S331 D336 A337 E338	S331-D334 VanDerWaalsContact CA-CG 3.47Å; S331-D334 WeakPolarHBondContact CA-OD1 3.46Å; S331-D334 VanDerWaalsContact CA-OD2 3.28Å; S331-D334 WeakPolarHBondContact CA-OD2 3.43Å; S331-D334 WeakPolarHBondContact CB-OD2 3.48Å; S331-D334 PolarHBondContact O-N 3.14Å; D334-D336 VanDerWaalsContact C-N 3.27Å; D334-D336 PolarHBondContact O-N 2.93Å; D334-A337 PolarHBondContact O-N 2.74Å; D334-E338 PolarHBondContact O-N 3.06Å
335	Q	91.2	Very high	90	Very high	142 Å²	142	73.6 Å²	73.6	66%	0.664	36%	0.363	S	S	*	.	H	α-helix	trans	-65.5	-31.8	176.4	-68.5	-175.5	-5	0	0	112.7	V333 K339	V333-Q335 VanDerWaalsContact C-N 3.34Å; V333-Q335 PolarHBondContact O-N 2.68Å; Q335-K339 VanDerWaalsContact O-CG 3.29Å; Q335-K339 WeakPolarHBondContact O-CG 3.42Å; Q335-K339 PolarHBondContact O-N 3.05Å; Q335-K339 VanDerWaalsContact O-N 3.17Å
336	D	93.9	Very high	89.2	Confident	27 Å²	27	77.9 Å²	77.9	14%	0.144	38%	0.376	C	S	.	.	H	α-helix	trans	-73.1	-40.2	176.3	-81.5	-7.6	0	0	0	110.4	L283 R286 I287 V333 D334 K339 L340	L283-D336 HydrophobicContact CD2-CB 3.54Å; L283-D336 VanDerWaalsContact CD2-CG 3.46Å; L283-D336 WeakPolarHBondContact CD2-OD1 3.44Å; R286-D336 IonicContact CZ-OD2 2.93Å; R286-D336 IonicContact NE-OD2 2.82Å; R286-D336 PolarHBondContact NE-OD2 2.82Å; R286-D336 IonicContact NH2-OD1 3.03Å; R286-D336 PolarHBondContact NH2-OD1 3.18Å; R286-D336 IonicContact NH2-OD2 2.84Å; R286-D336 PolarHBondContact NH2-OD2 3.18Å; R286-D336 VanDerWaalsContact NH2-OD2 3.09Å; I287-D336 HydrophobicContact CD1-CB 4.44Å; I287-D336 HydrophobicContact CG1-CB 4.33Å; V333-D336 HydrophobicContact CB-CB 4.35Å; V333-D336 WeakPolarHBondContact O-CB 3.41Å; V333-D336 PolarHBondContact O-N 2.87Å; D334-D336 VanDerWaalsContact C-N 3.27Å; D334-D336 PolarHBondContact O-N 2.93Å; D336-K339 PolarHBondContact O-N 2.96Å; D336-L340 WeakPolarHBondContact O-CB 3.29Å; D336-L340 PolarHBondContact O-N 2.95Å
337	A	89.5	Confident	88.5	Confident	39 Å²	39	81 Å²	81	32%	0.322	39%	0.391	S	S	.	.	H	α-helix	trans	-61.7	-44.1	174.1	0	0	0	0	0	111.8	I287 V333 D334 K339 L340 E341	I287-A337 HydrophobicContact CD1-CB 4.09Å; V333-A337 PolarHBondContact O-N 2.72Å; D334-A337 PolarHBondContact O-N 2.74Å; A337-K339 VanDerWaalsContact C-N 3.35Å; A337-K339 PolarHBondContact O-N 3.13Å; A337-L340 PolarHBondContact O-N 3.37Å; A337-E341 WeakPolarHBondContact O-CB 3.44Å; A337-E341 PolarHBondContact O-N 3.43Å
338	E	88.4	Confident	87.6	Confident	97 Å²	97	76.6 Å²	76.6	45%	0.453	38%	0.375	S	S	.	.	H	α-helix	trans	-63.1	-39.6	176.8	-165.9	-162.9	147.9	0	0	112.1	D334 E341 K342	D334-E338 PolarHBondContact O-N 3.06Å; E338-E341 PolarHBondContact O-N 2.96Å; E338-K342 WeakPolarHBondContact O-CG 3.29Å; E338-K342 PolarHBondContact O-N 2.98Å; E338-K342 IonicContact OE1-NZ 3.86Å; E338-K342 PolarHBondContact OE1-NZ 3.28Å
339	K	92.2	Very high	86.2	Confident	95 Å²	95	73 Å²	73	41%	0.413	36%	0.357	S	S	.	.	H	α-helix	trans	-66	-41.2	174.4	-74.8	171.6	-172.4	168	0	111.8	L283 Q335 D336 A337 E341 K342 L343	L283-K339 HydrophobicContact CD1-CB 3.86Å; L283-K339 HydrophobicContact CD2-CB 4.31Å; L283-K339 HydrophobicContact CD2-CD 4.49Å; Q335-K339 VanDerWaalsContact O-CG 3.29Å; Q335-K339 WeakPolarHBondContact O-CG 3.42Å; Q335-K339 PolarHBondContact O-N 3.05Å; Q335-K339 VanDerWaalsContact O-N 3.17Å; D336-K339 PolarHBondContact O-N 2.96Å; A337-K339 VanDerWaalsContact C-N 3.35Å; A337-K339 PolarHBondContact O-N 3.13Å; K339-E341 VanDerWaalsContact C-N 3.34Å; K339-K342 PolarHBondContact O-N 3.3Å; K339-L343 WeakPolarHBondContact O-CG 3.22Å; K339-L343 PolarHBondContact O-N 3.21Å; K339-L343 VanDerWaalsContact O-N 3.1Å
340	L	91.3	Very high	85	Confident	17 Å²	17	74.1 Å²	74.1	9%	0.089	36%	0.361	C	S	.	.	H	α-helix	trans	-63.4	-42.8	177.7	-178.9	60.3	0	0	0	110.9	K280 L283 D284 I287 D336 A337 L343 H344	K280-L340 HydrophobicContact CB-CD1 4.39Å; K280-L340 HydrophobicContact CG-CD1 3.5Å; K280-L340 VanDerWaalsContact CG-CD1 3.5Å; L283-L340 HydrophobicContact CB-CB 4.25Å; L283-L340 HydrophobicContact CB-CD1 4.34Å; L283-L340 HydrophobicContact CD1-CB 4.36Å; D284-L340 HydrophobicContact CB-CD1 4.45Å; D284-L340 HydrophobicContact CB-CD2 4.02Å; I287-L340 HydrophobicContact CD1-CB 4.26Å; I287-L340 HydrophobicContact CD1-CD2 3.64Å; D336-L340 WeakPolarHBondContact O-CB 3.29Å; D336-L340 PolarHBondContact O-N 2.95Å; A337-L340 PolarHBondContact O-N 3.37Å; L340-L343 WeakPolarHBondContact O-CB 3.5Å; L340-L343 PolarHBondContact O-N 3.13Å; L340-H344 PolarHBondContact O-CD2 2.94Å; L340-H344 VanDerWaalsContact O-CD2 3.24Å; L340-H344 PolarHBondContact O-N 3.48Å
341	E	86.6	Confident	83.7	Confident	109 Å²	109	76 Å²	76	51%	0.509	37%	0.369	S	S	.	.	H	α-helix	trans	-60.4	-45.4	175.3	-173	173.2	-160.9	0	0	111.6	A337 E338 K339 L343 H344 E345	A337-E341 WeakPolarHBondContact O-CB 3.44Å; A337-E341 PolarHBondContact O-N 3.43Å; E338-E341 PolarHBondContact O-N 2.96Å; K339-E341 VanDerWaalsContact C-N 3.34Å; E341-L343 VanDerWaalsContact C-N 3.28Å; E341-L343 PolarHBondContact O-N 3.35Å; E341-H344 CarbonylContact O-C 3.27Å; E341-H344 WeakPolarHBondContact O-CA 3.4Å; E341-H344 WeakPolarHBondContact O-CB 3.31Å; E341-H344 PolarHBondContact O-N 3.39Å; E341-E345 WeakPolarHBondContact O-CG 3.37Å; E341-E345 PolarHBondContact O-N 3.16Å
342	K	84.6	Confident	82	Confident	112 Å²	112	76.5 Å²	76.5	49%	0.487	37%	0.367	S	S	.	.	H	α-helix	trans	-59.3	-36	174.1	-76.1	169.4	173.1	162.6	0	113.3	E338 K339 R346	E338-K342 WeakPolarHBondContact O-CG 3.29Å; E338-K342 PolarHBondContact O-N 2.98Å; E338-K342 IonicContact OE1-NZ 3.86Å; E338-K342 PolarHBondContact OE1-NZ 3.28Å; K339-K342 PolarHBondContact O-N 3.3Å; K342-R346 WeakPolarHBondContact O-CB 3.34Å; K342-R346 PolarHBondContact O-N 2.88Å; K342-R346 VanDerWaalsContact O-N 3.11Å
343	L	85.1	Confident	80.2	Confident	14 Å²	14	71.8 Å²	71.8	7%	0.073	34%	0.338	C	S	.	.	H	α-helix	trans	-70.3	-38.1	174.4	-71.4	171	0	0	0	111.6	L272 E276 Q279 K280 L283 K339 L340 E341 R346 E347	L272-L343 HydrophobicContact CD2-CD2 4.08Å; E276-L343 HydrophobicContact CB-CD2 4.02Å; E276-L343 HydrophobicContact CG-CD2 4.17Å; Q279-L343 HydrophobicContact CB-CD1 4.49Å; Q279-L343 HydrophobicContact CG-CD1 4.29Å; K280-L343 HydrophobicContact CB-CD1 4.06Å; L283-L343 HydrophobicContact CD1-CD1 3.89Å; K339-L343 WeakPolarHBondContact O-CG 3.22Å; K339-L343 PolarHBondContact O-N 3.21Å; K339-L343 VanDerWaalsContact O-N 3.1Å; L340-L343 WeakPolarHBondContact O-CB 3.5Å; L340-L343 PolarHBondContact O-N 3.13Å; E341-L343 VanDerWaalsContact C-N 3.28Å; E341-L343 PolarHBondContact O-N 3.35Å; L343-R346 PolarHBondContact O-N 3.01Å; L343-E347 WeakPolarHBondContact O-CB 3.41Å; L343-E347 PolarHBondContact O-N 2.85Å
344	H	82.1	Confident	78.4	Confident	75 Å²	75	74 Å²	74	35%	0.347	35%	0.348	S	S	.	.	H	α-helix	trans	-63.1	-49.2	173	-76.1	-154.3	0	0	0	111.4	K280 L340 E341 R346 E347 D348	K280-H344 WeakPolarHBondContact CE-CD2 3.45Å; K280-H344 WeakPolarHBondContact CE-NE2 3.47Å; L340-H344 PolarHBondContact O-CD2 2.94Å; L340-H344 VanDerWaalsContact O-CD2 3.24Å; L340-H344 PolarHBondContact O-N 3.48Å; E341-H344 CarbonylContact O-C 3.27Å; E341-H344 WeakPolarHBondContact O-CA 3.4Å; E341-H344 WeakPolarHBondContact O-CB 3.31Å; E341-H344 PolarHBondContact O-N 3.39Å; H344-R346 PolarHBondContact O-N 3.38Å; H344-E347 WeakPolarHBondContact O-CB 3.45Å; H344-E347 PolarHBondContact O-N 3.25Å; H344-E347 VanDerWaalsContact O-N 3.08Å; H344-D348 WeakPolarHBondContact O-CB 3.44Å; H344-D348 PolarHBondContact O-N 3.03Å
345	E	75.2	Confident	76.8	Confident	102 Å²	102	74.1 Å²	74.1	48%	0.477	35%	0.345	S	S	.	.	H	α-helix	trans	-55.4	-40.5	176.1	-72.1	179.9	169.4	0	0	111.6	E341 Y349	E341-E345 WeakPolarHBondContact O-CG 3.37Å; E341-E345 PolarHBondContact O-N 3.16Å; E345-Y349 VanDerWaalsContact O-CB 3.26Å; E345-Y349 WeakPolarHBondContact O-CB 3.45Å; E345-Y349 PolarHBondContact O-N 2.88Å
346	R	75.3	Confident	74.7	Confident	113 Å²	113	68.9 Å²	68.9	43%	0.426	32%	0.323	S	S	.	.	H	α-helix	trans	-69.4	-39.4	178.1	-171.8	172.9	-172.7	171.6	2.3	112.1	L272 E276 K342 L343 H344 Y349 Y350	L272-R346 HydrophobicContact CD2-CB 4.05Å; L272-R346 HydrophobicContact CD2-CG 3.81Å; E276-R346 IonicContact OE1-CZ 3.29Å; E276-R346 IonicContact OE1-NE 3.49Å; E276-R346 IonicContact OE1-NH1 2.92Å; E276-R346 PolarHBondContact OE1-NH1 2.78Å; K342-R346 WeakPolarHBondContact O-CB 3.34Å; K342-R346 PolarHBondContact O-N 2.88Å; K342-R346 VanDerWaalsContact O-N 3.11Å; L343-R346 PolarHBondContact O-N 3.01Å; H344-R346 PolarHBondContact O-N 3.38Å; R346-Y349 WeakPolarHBondContact O-CB 3.48Å; R346-Y349 PolarHBondContact O-N 3.5Å; R346-Y350 HydrophobicContact CG-CD2 4.16Å; R346-Y350 HydrophobicContact CG-CE2 3.61Å; R346-Y350 PolarHBondContact NE-OH 3.18Å; R346-Y350 PolarHBondContact NH2-OH 3.1Å; R346-Y350 WeakPolarHBondContact O-CB 3.47Å; R346-Y350 WeakPolarHBondContact O-CD2 3.47Å; R346-Y350 PolarHBondContact O-N 2.93Å
347	E	79.3	Confident	72.5	Confident	79 Å²	79	69.9 Å²	69.9	37%	0.369	32%	0.324	S	S	.	.	H	α-helix	trans	-65.7	-43.2	173.3	-172.9	175.4	-149.2	0	0	112.3	L272 K280 L343 H344 Y349 Y350 K351	L272-E347 HydrophobicContact CD1-CB 3.95Å; L272-E347 HydrophobicContact CD1-CG 4.45Å; L272-E347 HydrophobicContact CG-CB 4.33Å; K280-E347 IonicContact NZ-OE1 2.73Å; K280-E347 IonicContact NZ-OE2 2.79Å; K280-E347 PolarHBondContact NZ-OE2 2.81Å; L343-E347 WeakPolarHBondContact O-CB 3.41Å; L343-E347 PolarHBondContact O-N 2.85Å; H344-E347 WeakPolarHBondContact O-CB 3.45Å; H344-E347 PolarHBondContact O-N 3.25Å; H344-E347 VanDerWaalsContact O-N 3.08Å; E347-Y349 VanDerWaalsContact C-N 3.33Å; E347-Y349 PolarHBondContact O-N 3.24Å; E347-Y350 WeakPolarHBondContact O-CB 3.45Å; E347-Y350 PolarHBondContact O-N 3.46Å; E347-Y350 VanDerWaalsContact O-N 3.15Å; E347-K351 WeakPolarHBondContact O-CB 3.49Å; E347-K351 PolarHBondContact O-N 3.39Å
348	D	72.1	Confident	70.7	Confident	73 Å²	73	74 Å²	74	39%	0.39	34%	0.337	S	S	.	.	H	α-helix	trans	-62.9	-41.8	175	-76.4	-20.7	0	0	0	111.1	H344 Y350 K351 N352	H344-D348 WeakPolarHBondContact O-CB 3.44Å; H344-D348 PolarHBondContact O-N 3.03Å; D348-Y350 VanDerWaalsContact C-N 3.3Å; D348-Y350 PolarHBondContact O-N 2.67Å; D348-K351 PolarHBondContact O-N 3.06Å; D348-N352 WeakPolarHBondContact O-CB 3.33Å; D348-N352 PolarHBondContact O-N 3.3Å; D348-N352 PolarHBondContact O-ND2 3.38Å
349	Y	64.8	Low	68.6	Low	93 Å²	93	77.1 Å²	77.1	37%	0.365	35%	0.352	S	S	.	.	H	α-helix	trans	-55.9	-46.5	171.9	171.9	-95.8	0	0	0	111.4	E345 R346 E347 N352 M353	E345-Y349 VanDerWaalsContact O-CB 3.26Å; E345-Y349 WeakPolarHBondContact O-CB 3.45Å; E345-Y349 PolarHBondContact O-N 2.88Å; R346-Y349 WeakPolarHBondContact O-CB 3.48Å; R346-Y349 PolarHBondContact O-N 3.5Å; E347-Y349 VanDerWaalsContact C-N 3.33Å; E347-Y349 PolarHBondContact O-N 3.24Å; Y349-N352 PolarHBondContact O-N 3.09Å; Y349-M353 HydrophobicContact CE1-CG 4.11Å; Y349-M353 HydrophobicContact CE2-CG 4.46Å; Y349-M353 VanDerWaalsContact O-CG 3.28Å; Y349-M353 WeakPolarHBondContact O-CG 3.38Å; Y349-M353 PolarHBondContact O-N 3.49Å
350	Y	66.2	Low	66.1	Low	29 Å²	29	75.6 Å²	75.6	11%	0.114	35%	0.35	C	S	.	.	H	α-helix	trans	-65.4	-39.9	177.8	-73	-23.2	0	0	0	113.7	L270 R271 L272 R346 E347 D348 M353 E354	L270-Y350 VanDerWaalsContact C-CD1 3.49Å; L270-Y350 VanDerWaalsContact C-CG 3.44Å; L270-Y350 HydrophobicContact CB-CD1 3.5Å; L270-Y350 HydrophobicContact CB-CE1 3.85Å; L270-Y350 HydrophobicContact CB-CG 4.27Å; L270-Y350 HydrophobicContact CD2-CD1 4.48Å; L270-Y350 HydrophobicContact CD2-CE1 4.1Å; L270-Y350 WeakPolarHBondContact O-CB 3.43Å; L270-Y350 WeakPolarHBondContact O-CD1 3.45Å; R271-Y350 WeakPolarHBondContact O-CE2 3.4Å; L272-Y350 HydrophobicContact CD2-CD2 4.44Å; L272-Y350 HydrophobicContact CD2-CE2 4.03Å; L272-Y350 HydrophobicContact CG-CD2 4.34Å; L272-Y350 HydrophobicContact CG-CE2 4.3Å; L272-Y350 VanDerWaalsContact N-CE2 3.29Å; R346-Y350 HydrophobicContact CG-CD2 4.16Å; R346-Y350 HydrophobicContact CG-CE2 3.61Å; R346-Y350 PolarHBondContact NE-OH 3.18Å; R346-Y350 PolarHBondContact NH2-OH 3.1Å; R346-Y350 WeakPolarHBondContact O-CB 3.47Å; R346-Y350 WeakPolarHBondContact O-CD2 3.47Å; R346-Y350 PolarHBondContact O-N 2.93Å; E347-Y350 WeakPolarHBondContact O-CB 3.45Å; E347-Y350 PolarHBondContact O-N 3.46Å; E347-Y350 VanDerWaalsContact O-N 3.15Å; D348-Y350 VanDerWaalsContact C-N 3.3Å; D348-Y350 PolarHBondContact O-N 2.67Å; Y350-M353 WeakPolarHBondContact O-CB 3.46Å; Y350-M353 PolarHBondContact O-N 2.62Å; Y350-E354 PolarHBondContact O-N 2.95Å; Y350-E354 VanDerWaalsContact O-N 3.07Å
351	K	67.1	Low	63.9	Low	107 Å²	107	77.2 Å²	77.2	47%	0.465	36%	0.363	S	S	.	.	H	α-helix	trans	-65.6	-45.5	175.1	-174.2	179	169.4	-170.5	0	111.6	E347 D348 M353 E354 E355	E347-K351 WeakPolarHBondContact O-CB 3.49Å; E347-K351 PolarHBondContact O-N 3.39Å; D348-K351 PolarHBondContact O-N 3.06Å; K351-M353 PolarHBondContact O-N 3.05Å; K351-E354 WeakPolarHBondContact O-CA 3.46Å; K351-E354 WeakPolarHBondContact O-CB 3.11Å; K351-E354 PolarHBondContact O-N 3.02Å; K351-E355 PolarHBondContact O-N 3.41Å
352	N	58.9	Low	61.8	Low	72 Å²	72	74.5 Å²	74.5	39%	0.385	35%	0.354	S	S	.	.	H	α-helix	trans	-59.7	-36.9	174	-70.8	-27.2	0	0	0	111.4	D348 Y349 E354 E355 V356	D348-N352 WeakPolarHBondContact O-CB 3.33Å; D348-N352 PolarHBondContact O-N 3.3Å; D348-N352 PolarHBondContact O-ND2 3.38Å; Y349-N352 PolarHBondContact O-N 3.09Å; N352-E354 VanDerWaalsContact C-N 3.34Å; N352-E355 PolarHBondContact O-N 3.47Å; N352-V356 WeakPolarHBondContact O-CG2 3.48Å; N352-V356 PolarHBondContact O-N 3.49Å
353	M	54.6	Low	59.9	Low	6 Å²	6	72.1 Å²	72.1	3%	0.03	35%	0.346	C	S	.	.	H	α-helix	trans	-65.4	-35	173.4	-74.9	-66.5	-73.1	0	0	112.8	L270 Y349 Y350 K351 R357 Y369	L270-M353 HydrophobicContact CD1-CB 3.85Å; L270-M353 HydrophobicContact CD1-CE 3.32Å; L270-M353 HydrophobicContact CD1-CG 3.86Å; L270-M353 HydrophobicContact CD1-SD 4.41Å; Y349-M353 HydrophobicContact CE1-CG 4.11Å; Y349-M353 HydrophobicContact CE2-CG 4.46Å; Y349-M353 VanDerWaalsContact O-CG 3.28Å; Y349-M353 WeakPolarHBondContact O-CG 3.38Å; Y349-M353 PolarHBondContact O-N 3.49Å; Y350-M353 WeakPolarHBondContact O-CB 3.46Å; Y350-M353 PolarHBondContact O-N 2.62Å; K351-M353 PolarHBondContact O-N 3.05Å; M353-R357 WeakPolarHBondContact O-CB 3.46Å; M353-R357 WeakPolarHBondContact O-CG 3.3Å; M353-R357 PolarHBondContact O-N 2.96Å; M353-Y369 HydrophobicContact CE-CD2 3.56Å; M353-Y369 HydrophobicContact CE-CE2 4.12Å; M353-Y369 HydrophobicContact CE-CG 3.87Å; M353-Y369 HydrophobicContact SD-CD1 3.92Å; M353-Y369 HydrophobicContact SD-CD2 3.28Å; M353-Y369 WeakPolarHBondContact SD-CD2 3.48Å; M353-Y369 HydrophobicContact SD-CE1 3.92Å; M353-Y369 HydrophobicContact SD-CE2 3.28Å; M353-Y369 WeakPolarHBondContact SD-CE2 3.48Å; M353-Y369 HydrophobicContact SD-CG 3.61Å
354	E	57.3	Low	58	Low	62 Å²	62	73.2 Å²	73.2	29%	0.29	36%	0.357	S	S	.	.	H	α-helix	trans	-65.1	-43.4	174	-158.7	159.2	-151.7	0	0	110.1	K269 R271 Y350 K351 N352 V356 R357 E358	K269-E354 IonicContact NZ-OE1 2.71Å; K269-E354 PolarHBondContact NZ-OE1 3.33Å; R271-E354 IonicContact NH2-OE1 3.55Å; R271-E354 PolarHBondContact NH2-OE1 3.21Å; R271-E354 IonicContact NH2-OE2 3.85Å; Y350-E354 PolarHBondContact O-N 2.95Å; Y350-E354 VanDerWaalsContact O-N 3.07Å; K351-E354 WeakPolarHBondContact O-CA 3.46Å; K351-E354 WeakPolarHBondContact O-CB 3.11Å; K351-E354 PolarHBondContact O-N 3.02Å; N352-E354 VanDerWaalsContact C-N 3.34Å; E354-V356 PolarHBondContact O-N 3.26Å; E354-R357 WeakPolarHBondContact O-CB 3.34Å; E354-R357 PolarHBondContact O-N 3.4Å; E354-E358 PolarHBondContact O-N 3.21Å; E354-E358 VanDerWaalsContact O-N 3.1Å
355	E	57	Low	56.1	Low	94 Å²	94	69.6 Å²	69.6	44%	0.439	34%	0.34	S	S	.	.	H	α-helix	trans	-63.5	-41.5	174.9	-66.8	-175.7	-177	0	0	113.1	K351 N352 R357 E358 Q359	K351-E355 PolarHBondContact O-N 3.41Å; N352-E355 PolarHBondContact O-N 3.47Å; E355-R357 VanDerWaalsContact C-N 3.33Å; E355-R357 PolarHBondContact O-N 3.07Å; E355-E358 WeakPolarHBondContact O-CB 3.34Å; E355-E358 PolarHBondContact O-N 2.92Å; E355-Q359 PolarHBondContact O-N 3.5Å
356	V	46.7	Very low	54.6	Low	31 Å²	31	67.5 Å²	67.5	19%	0.188	33%	0.334	C	S	.	.	H	α-helix	trans	-68.5	-34.3	176.7	178.6	0	0	0	0	111.3	N352 E354 E358 Q359 V360 A365 Y369	N352-V356 WeakPolarHBondContact O-CG2 3.48Å; N352-V356 PolarHBondContact O-N 3.49Å; E354-V356 PolarHBondContact O-N 3.26Å; V356-E358 PolarHBondContact O-N 3.07Å; V356-Q359 PolarHBondContact O-N 2.99Å; V356-Q359 VanDerWaalsContact O-N 3.13Å; V356-V360 HydrophobicContact CG1-CB 4.23Å; V356-V360 HydrophobicContact CG1-CG2 3.66Å; V356-V360 WeakPolarHBondContact O-CB 3.23Å; V356-V360 WeakPolarHBondContact O-CG2 3.49Å; V356-V360 PolarHBondContact O-N 3.01Å; V356-A365 HydrophobicContact CG1-CB 4.32Å; V356-Y369 HydrophobicContact CB-CE2 4.13Å; V356-Y369 HydrophobicContact CG1-CE2 3.78Å; V356-Y369 HydrophobicContact CG2-CE2 4.31Å
357	R	47.3	Very low	53.1	Low	48 Å²	48	68 Å²	68	18%	0.181	34%	0.341	C	S	.	.	H	α-helix	trans	-64.7	-27.7	172.1	-76.5	172.7	179.5	-159.3	1.8	112.9	A268 M353 E354 E355 V360 A365	A268-R357 PolarHBondContact O-NH1 2.85Å; A268-R357 PolarHBondContact O-NH2 3.45Å; M353-R357 WeakPolarHBondContact O-CB 3.46Å; M353-R357 WeakPolarHBondContact O-CG 3.3Å; M353-R357 PolarHBondContact O-N 2.96Å; E354-R357 WeakPolarHBondContact O-CB 3.34Å; E354-R357 PolarHBondContact O-N 3.4Å; E355-R357 VanDerWaalsContact C-N 3.33Å; E355-R357 PolarHBondContact O-N 3.07Å; R357-V360 VanDerWaalsContact O-O 3.12Å; R357-A365 HydrophobicContact CG-CB 4.33Å
358	E	52	Low	51.5	Low	127 Å²	127	70.6 Å²	70.6	59%	0.593	35%	0.348	S	S	*	.	H	α-helix	trans	-70.5	-33.3	172.3	-69.8	-177.1	170.7	0	0	112.2	E354 E355 V356	E354-E358 PolarHBondContact O-N 3.21Å; E354-E358 VanDerWaalsContact O-N 3.1Å; E355-E358 WeakPolarHBondContact O-CB 3.34Å; E355-E358 PolarHBondContact O-N 2.92Å; V356-E358 PolarHBondContact O-N 3.07Å
359	Q	45.3	Very low	50.3	Low	162 Å²	162	69.2 Å²	69.2	76%	0.757	34%	0.338	S	S	*	.	H	α-helix	trans	-94.2	-25	-175.2	-64.2	-177	24.6	0	0	114.2	E355 V356	E355-Q359 PolarHBondContact O-N 3.5Å; V356-Q359 PolarHBondContact O-N 2.99Å; V356-Q359 VanDerWaalsContact O-N 3.13Å
360	V	39	Very low	49.5	Very low	62 Å²	62	69.4 Å²	69.4	38%	0.376	35%	0.345	S	S	.	.	S	Bend	trans	-134.4	137	-170.7	-153.8	0	0	0	0	108.2	V356 R357 V362 A364	V356-V360 HydrophobicContact CG1-CB 4.23Å; V356-V360 HydrophobicContact CG1-CG2 3.66Å; V356-V360 WeakPolarHBondContact O-CB 3.23Å; V356-V360 WeakPolarHBondContact O-CG2 3.49Å; V356-V360 PolarHBondContact O-N 3.01Å; R357-V360 VanDerWaalsContact O-O 3.12Å; V360-V362 PolarHBondContact O-N 3.15Å; V360-A364 HydrophobicContact CG1-CB 3.8Å
361	S	45.5	Very low	48.6	Very low	52 Å²	52	74.2 Å²	74.2	36%	0.364	37%	0.369	S	S	.	.			trans	-53.7	142.8	-176.6	93.8	0	0	0	0	110.6	I363 A364 A365	S361-I363 PolarHBondContact O-N 3.39Å; S361-A364 CarbonylContact O-C 3.57Å; S361-A364 WeakPolarHBondContact O-CA 3.15Å; S361-A364 PolarHBondContact O-N 2.9Å; S361-A364 PolarHBondContact OG-N 3.48Å; S361-A365 PolarHBondContact O-N 3.07Å
362	V	43.1	Very low	47.4	Very low	52 Å²	52	71.3 Å²	71.3	32%	0.315	36%	0.358	S	S	.	.	H	α-helix	trans	-50.9	-37.5	-177.2	174.1	0	0	0	0	111.6	M191 V360 V366	M191-V362 HydrophobicContact SD-CG2 4.09Å; V360-V362 PolarHBondContact O-N 3.15Å; V362-V366 HydrophobicContact CG1-CG2 4.37Å; V362-V366 WeakPolarHBondContact O-CB 3.27Å; V362-V366 WeakPolarHBondContact O-CG2 3.2Å; V362-V366 PolarHBondContact O-N 3.31Å
363	I	43.5	Very low	46.8	Very low	62 Å²	62	73 Å²	73	32%	0.318	36%	0.362	S	S	.	.	H	α-helix	trans	-65.8	-48.3	176.2	-61.7	175.8	0	0	0	111	S361 V366 Q367	S361-I363 PolarHBondContact O-N 3.39Å; I363-V366 PolarHBondContact O-N 3.31Å; I363-Q367 WeakPolarHBondContact O-CB 3.33Å; I363-Q367 VanDerWaalsContact O-CG 3.27Å; I363-Q367 WeakPolarHBondContact O-CG 3.22Å; I363-Q367 PolarHBondContact O-N 2.98Å
364	A	45.5	Very low	46.5	Very low	36 Å²	36	78.1 Å²	78.1	30%	0.298	39%	0.389	S	S	.	.	H	α-helix	trans	-67.5	-37	179.2	0	0	0	0	0	112.1	V360 S361 Y368	V360-A364 HydrophobicContact CG1-CB 3.8Å; S361-A364 CarbonylContact O-C 3.57Å; S361-A364 WeakPolarHBondContact O-CA 3.15Å; S361-A364 PolarHBondContact O-N 2.9Å; S361-A364 PolarHBondContact OG-N 3.48Å; A364-Y368 WeakPolarHBondContact O-CB 3.34Å; A364-Y368 PolarHBondContact O-N 2.75Å
365	A	43.3	Very low	45.9	Very low	0 Å²	0	80.6 Å²	80.6	0%	0	40%	0.404	C	S	.	.	H	α-helix	trans	-63.8	-50.8	173.9	0	0	0	0	0	110.7	V356 R357 S361 Q367 Y368 Y369	V356-A365 HydrophobicContact CG1-CB 4.32Å; R357-A365 HydrophobicContact CG-CB 4.33Å; S361-A365 PolarHBondContact O-N 3.07Å; A365-Q367 VanDerWaalsContact C-N 3.34Å; A365-Q367 PolarHBondContact O-N 2.92Å; A365-Y368 PolarHBondContact O-N 3.42Å; A365-Y369 WeakPolarHBondContact O-CB 3.49Å; A365-Y369 WeakPolarHBondContact O-CD2 3.45Å; A365-Y369 PolarHBondContact O-N 2.92Å
366	V	41.7	Very low	45.1	Very low	57 Å²	57	80.7 Å²	80.7	35%	0.345	41%	0.406	S	S	.	.	H	α-helix	trans	-59.8	-44.3	177.8	171.7	0	0	0	0	111.1	V362 I363 Y369 D370	V362-V366 HydrophobicContact CG1-CG2 4.37Å; V362-V366 WeakPolarHBondContact O-CB 3.27Å; V362-V366 WeakPolarHBondContact O-CG2 3.2Å; V362-V366 PolarHBondContact O-N 3.31Å; I363-V366 PolarHBondContact O-N 3.31Å; V366-Y369 PolarHBondContact O-N 3.06Å; V366-D370 PolarHBondContact O-N 3.16Å
367	Q	44.8	Very low	45.3	Very low	124 Å²	124	84.1 Å²	84.1	58%	0.579	42%	0.421	S	S	*	.	H	α-helix	trans	-66	-46.4	178.1	-74.6	178.7	-24.1	0	0	113.3	I363 A365 Y369 D370 E371	I363-Q367 WeakPolarHBondContact O-CB 3.33Å; I363-Q367 VanDerWaalsContact O-CG 3.27Å; I363-Q367 WeakPolarHBondContact O-CG 3.22Å; I363-Q367 PolarHBondContact O-N 2.98Å; A365-Q367 VanDerWaalsContact C-N 3.34Å; A365-Q367 PolarHBondContact O-N 2.92Å; Q367-Y369 PolarHBondContact O-N 2.84Å; Q367-D370 PolarHBondContact O-N 3.3Å; Q367-E371 PolarHBondContact O-N 3.36Å
368	Y	45.8	Very low	45.7	Very low	133 Å²	133	84.3 Å²	84.3	52%	0.522	43%	0.432	S	S	.	.	H	α-helix	trans	-58.5	-35.9	176.9	-179.9	-105.2	0	0	0	111.5	A364 A365 I372	A364-Y368 WeakPolarHBondContact O-CB 3.34Å; A364-Y368 PolarHBondContact O-N 2.75Å; A365-Y368 PolarHBondContact O-N 3.42Å; Y368-I372 HydrophobicContact CD1-CD1 3.75Å; Y368-I372 HydrophobicContact CE1-CD1 3.17Å; Y368-I372 HydrophobicContact CE1-CG1 4.35Å; Y368-I372 HydrophobicContact CE2-CD1 4.09Å; Y368-I372 HydrophobicContact CG-CD1 4.42Å; Y368-I372 WeakPolarHBondContact O-CG1 3.27Å; Y368-I372 PolarHBondContact O-N 2.82Å
369	Y	47.7	Very low	45.4	Very low	45 Å²	45	80.3 Å²	80.3	18%	0.176	42%	0.421	C	S	.	.	H	α-helix	trans	-86.5	-32	-178.2	-82.9	-72.5	0	0	0	114.9	M353 V356 A365 V366 Q367 E371 I372 K373	M353-Y369 HydrophobicContact CE-CD2 3.56Å; M353-Y369 HydrophobicContact CE-CE2 4.12Å; M353-Y369 HydrophobicContact CE-CG 3.87Å; M353-Y369 HydrophobicContact SD-CD1 3.92Å; M353-Y369 HydrophobicContact SD-CD2 3.28Å; M353-Y369 WeakPolarHBondContact SD-CD2 3.48Å; M353-Y369 HydrophobicContact SD-CE1 3.92Å; M353-Y369 HydrophobicContact SD-CE2 3.28Å; M353-Y369 WeakPolarHBondContact SD-CE2 3.48Å; M353-Y369 HydrophobicContact SD-CG 3.61Å; V356-Y369 HydrophobicContact CB-CE2 4.13Å; V356-Y369 HydrophobicContact CG1-CE2 3.78Å; V356-Y369 HydrophobicContact CG2-CE2 4.31Å; A365-Y369 WeakPolarHBondContact O-CB 3.49Å; A365-Y369 WeakPolarHBondContact O-CD2 3.45Å; A365-Y369 PolarHBondContact O-N 2.92Å; V366-Y369 PolarHBondContact O-N 3.06Å; Q367-Y369 PolarHBondContact O-N 2.84Å; Y369-E371 PolarHBondContact O-N 3.12Å; Y369-I372 HydrophobicContact CD1-CB 4.34Å; Y369-I372 HydrophobicContact CD1-CG2 4.46Å; Y369-I372 PolarHBondContact O-N 3.46Å; Y369-K373 WeakPolarHBondContact O-CB 3.49Å; Y369-K373 PolarHBondContact O-N 3.47Å
370	D	47.8	Very low	45.6	Very low	97 Å²	97	78.9 Å²	78.9	52%	0.519	41%	0.412	S	S	.	.	H	α-helix	trans	-59.6	-36.6	168.6	-78.2	-21	0	0	0	110.1	V366 Q367 L374	V366-D370 PolarHBondContact O-N 3.16Å; Q367-D370 PolarHBondContact O-N 3.3Å; D370-L374 WeakPolarHBondContact O-CB 3.44Å; D370-L374 WeakPolarHBondContact O-CD1 3.5Å; D370-L374 WeakPolarHBondContact O-CG 3.4Å; D370-L374 PolarHBondContact O-N 3.3Å
371	E	46	Very low	46.6	Very low	129 Å²	129	80.1 Å²	80.1	60%	0.603	43%	0.429	S	S	*	.	H	α-helix	trans	-65.7	-51.3	171.3	-72.3	-178.7	178.4	0	0	112.3	Q367 Y369 K373 L374 D375	Q367-E371 PolarHBondContact O-N 3.36Å; Y369-E371 PolarHBondContact O-N 3.12Å; E371-K373 PolarHBondContact O-N 3.16Å; E371-L374 PolarHBondContact O-N 3.16Å; E371-D375 PolarHBondContact O-N 3.45Å
372	I	41.9	Very low	47.2	Very low	46 Å²	46	84.4 Å²	84.4	24%	0.236	45%	0.447	C	S	.	.	H	α-helix	trans	-65.2	-40.4	-179.7	-74.4	-179.7	0	0	0	112.6	Y368 Y369 L374 D375 I376	Y368-I372 HydrophobicContact CD1-CD1 3.75Å; Y368-I372 HydrophobicContact CE1-CD1 3.17Å; Y368-I372 HydrophobicContact CE1-CG1 4.35Å; Y368-I372 HydrophobicContact CE2-CD1 4.09Å; Y368-I372 HydrophobicContact CG-CD1 4.42Å; Y368-I372 WeakPolarHBondContact O-CG1 3.27Å; Y368-I372 PolarHBondContact O-N 2.82Å; Y369-I372 HydrophobicContact CD1-CB 4.34Å; Y369-I372 HydrophobicContact CD1-CG2 4.46Å; Y369-I372 PolarHBondContact O-N 3.46Å; I372-L374 VanDerWaalsContact C-N 3.32Å; I372-L374 PolarHBondContact O-N 3.46Å; I372-D375 CarbonylContact O-C 3.44Å; I372-D375 PolarHBondContact O-N 3Å; I372-D375 VanDerWaalsContact O-N 3.15Å; I372-I376 HydrophobicContact CG2-CD1 3.54Å; I372-I376 HydrophobicContact CG2-CG1 4Å; I372-I376 WeakPolarHBondContact O-CB 3.27Å; I372-I376 VanDerWaalsContact O-CG1 3.31Å; I372-I376 WeakPolarHBondContact O-CG1 3.32Å; I372-I376 PolarHBondContact O-N 3.03Å
373	K	46.1	Very low	47.2	Very low	108 Å²	108	84.8 Å²	84.8	47%	0.47	45%	0.447	S	S	.	.	H	α-helix	trans	-62.8	-43.7	179.7	-178.6	178.6	171.5	-175.9	0	110	Y369 E371 D375 I376 E377	Y369-K373 WeakPolarHBondContact O-CB 3.49Å; Y369-K373 PolarHBondContact O-N 3.47Å; E371-K373 PolarHBondContact O-N 3.16Å; K373-D375 VanDerWaalsContact C-N 3.31Å; K373-D375 PolarHBondContact O-N 3.31Å; K373-I376 PolarHBondContact O-N 3.1Å; K373-E377 WeakPolarHBondContact CE-OE1 3.34Å; K373-E377 HydrophobicContact CG-CG 4.41Å; K373-E377 IonicContact NZ-OE1 2.65Å; K373-E377 WeakPolarHBondContact O-CB 3.28Å; K373-E377 WeakPolarHBondContact O-CG 3.1Å; K373-E377 PolarHBondContact O-N 2.98Å
374	L	49.5	Very low	48.2	Very low	113 Å²	113	85.7 Å²	85.7	59%	0.592	45%	0.453	S	S	*	.	H	α-helix	trans	-60.7	-41	172.8	-75.1	169.8	0	0	0	111.6	D370 E371 I372 A378	D370-L374 WeakPolarHBondContact O-CB 3.44Å; D370-L374 WeakPolarHBondContact O-CD1 3.5Å; D370-L374 WeakPolarHBondContact O-CG 3.4Å; D370-L374 PolarHBondContact O-N 3.3Å; E371-L374 PolarHBondContact O-N 3.16Å; I372-L374 VanDerWaalsContact C-N 3.32Å; I372-L374 PolarHBondContact O-N 3.46Å; L374-A378 WeakPolarHBondContact O-CB 3.43Å; L374-A378 PolarHBondContact O-N 3.28Å
375	D	44.1	Very low	49.3	Very low	115 Å²	115	90.8 Å²	90.8	62%	0.615	48%	0.475	S	S	*	.	H	α-helix	trans	-66.5	-40.4	176.8	-75.4	-15.4	0	0	0	112.6	E371 I372 K373 A379	E371-D375 PolarHBondContact O-N 3.45Å; I372-D375 CarbonylContact O-C 3.44Å; I372-D375 PolarHBondContact O-N 3Å; I372-D375 VanDerWaalsContact O-N 3.15Å; K373-D375 VanDerWaalsContact C-N 3.31Å; K373-D375 PolarHBondContact O-N 3.31Å; D375-A379 VanDerWaalsContact O-CB 3.26Å; D375-A379 WeakPolarHBondContact O-CB 3.49Å; D375-A379 PolarHBondContact O-N 3.15Å
376	I	40.9	Very low	50.1	Low	95 Å²	95	98.4 Å²	98.4	49%	0.487	51%	0.51	S	S	.	.	H	α-helix	trans	-68.3	-44.2	176.6	-69.5	172.9	0	0	0	110.3	I372 K373 A378 A379 K380	I372-I376 HydrophobicContact CG2-CD1 3.54Å; I372-I376 HydrophobicContact CG2-CG1 4Å; I372-I376 WeakPolarHBondContact O-CB 3.27Å; I372-I376 VanDerWaalsContact O-CG1 3.31Å; I372-I376 WeakPolarHBondContact O-CG1 3.32Å; I372-I376 PolarHBondContact O-N 3.03Å; K373-I376 PolarHBondContact O-N 3.1Å; I376-A378 VanDerWaalsContact C-N 3.33Å; I376-A379 PolarHBondContact O-N 3.07Å; I376-K380 WeakPolarHBondContact O-CB 3.21Å; I376-K380 PolarHBondContact O-N 3.47Å
377	E	50.2	Low	50.9	Low	104 Å²	104	100.1 Å²	100.1	49%	0.486	52%	0.515	S	S	.	.	H	α-helix	trans	-65.3	-38.8	177.2	-74.8	179.3	177.6	0	0	111	K373 K380 A381	K373-E377 WeakPolarHBondContact CE-OE1 3.34Å; K373-E377 HydrophobicContact CG-CG 4.41Å; K373-E377 IonicContact NZ-OE1 2.65Å; K373-E377 WeakPolarHBondContact O-CB 3.28Å; K373-E377 WeakPolarHBondContact O-CG 3.1Å; K373-E377 PolarHBondContact O-N 2.98Å; E377-K380 PolarHBondContact O-N 2.83Å; E377-A381 WeakPolarHBondContact O-CB 3.5Å; E377-A381 PolarHBondContact O-N 3.45Å
378	A	56.4	Low	51.3	Low	51 Å²	51	97.6 Å²	97.6	42%	0.421	50%	0.503	S	S	.	.	H	α-helix	trans	-65.5	-40.6	172.4	0	0	0	0	0	112.1	L374 I376 A381 L382	L374-A378 WeakPolarHBondContact O-CB 3.43Å; L374-A378 PolarHBondContact O-N 3.28Å; I376-A378 VanDerWaalsContact C-N 3.33Å; A378-A381 PolarHBondContact O-N 3.15Å; A378-L382 WeakPolarHBondContact O-CG 3.41Å; A378-L382 PolarHBondContact O-N 3.42Å
379	A	45.6	Very low	51.9	Low	44 Å²	44	96 Å²	96	36%	0.364	50%	0.503	S	S	.	.	H	α-helix	trans	-66.4	-42.8	175.9	0	0	0	0	0	111.8	D375 I376 A381 L382 L383	D375-A379 VanDerWaalsContact O-CB 3.26Å; D375-A379 WeakPolarHBondContact O-CB 3.49Å; D375-A379 PolarHBondContact O-N 3.15Å; I376-A379 PolarHBondContact O-N 3.07Å; A379-A381 VanDerWaalsContact C-N 3.3Å; A379-A381 PolarHBondContact O-N 2.87Å; A379-L382 WeakPolarHBondContact O-CB 3.4Å; A379-L382 PolarHBondContact O-N 3.36Å; A379-L383 WeakPolarHBondContact O-CD1 3.25Å; A379-L383 PolarHBondContact O-N 3.36Å; A379-L383 VanDerWaalsContact O-N 3.1Å
380	K	48.6	Very low	52.5	Low	131 Å²	131	96 Å²	96	57%	0.57	51%	0.512	S	S	*	.	H	α-helix	trans	-61.3	-38.2	173.1	-87.6	-170.7	170.1	-174.7	0	112	I376 E377 L382 L383	I376-K380 WeakPolarHBondContact O-CB 3.21Å; I376-K380 PolarHBondContact O-N 3.47Å; E377-K380 PolarHBondContact O-N 2.83Å; K380-L382 PolarHBondContact O-N 2.98Å; K380-L383 PolarHBondContact O-N 3.26Å; K380-L383 VanDerWaalsContact O-O 3.13Å
381	A	60.2	Low	52.6	Low	89 Å²	89	95.9 Å²	95.9	74%	0.736	51%	0.511	S	S	*	.	H	α-helix	trans	-66.7	-17.7	175.4	0	0	0	0	0	113.6	E377 A378 A379	E377-A381 WeakPolarHBondContact O-CB 3.5Å; E377-A381 PolarHBondContact O-N 3.45Å; A378-A381 PolarHBondContact O-N 3.15Å; A379-A381 VanDerWaalsContact C-N 3.3Å; A379-A381 PolarHBondContact O-N 2.87Å
382	L	57.6	Low	52.7	Low	141 Å²	141	96 Å²	96	74%	0.738	51%	0.506	S	S	*	.	H	α-helix	trans	-95.6	-19.8	177.3	-69.1	167	0	0	0	113.4	A378 A379 K380	A378-L382 WeakPolarHBondContact O-CG 3.41Å; A378-L382 PolarHBondContact O-N 3.42Å; A379-L382 WeakPolarHBondContact O-CB 3.4Å; A379-L382 PolarHBondContact O-N 3.36Å; K380-L382 PolarHBondContact O-N 2.98Å
383	L	43.5	Very low	53.5	Low	61 Å²	61	99.2 Å²	99.2	32%	0.319	52%	0.52	S	S	.	.	S	Bend	trans	-89	117.4	177.7	-78.1	151.6	0	0	0	108.8	A379 K380 Q387 L391	A379-L383 WeakPolarHBondContact O-CD1 3.25Å; A379-L383 PolarHBondContact O-N 3.36Å; A379-L383 VanDerWaalsContact O-N 3.1Å; K380-L383 PolarHBondContact O-N 3.26Å; K380-L383 VanDerWaalsContact O-O 3.13Å; L383-Q387 HydrophobicContact CD2-CB 3.63Å; L383-L391 HydrophobicContact CD2-CD1 3.86Å
384	D	65.3	Low	53.8	Low	80 Å²	80	100.5 Å²	100.5	43%	0.428	53%	0.528	S	S	.	.			trans	-72.2	157.7	165.8	69.7	50.4	0	0	0	110.5	Q386 Q387 E388	D384-Q386 PolarHBondContact O-N 3.41Å; D384-Q386 WeakPolarHBondContact OD1-CA 3.42Å; D384-Q386 VanDerWaalsContact OD1-CB 3.29Å; D384-Q386 WeakPolarHBondContact OD1-CB 3.42Å; D384-Q386 PolarHBondContact OD1-N 2.83Å; D384-Q387 PolarHBondContact O-N 3.08Å; D384-Q387 WeakPolarHBondContact OD1-CG 3.29Å; D384-Q387 PolarHBondContact OD1-N 2.97Å; D384-E388 PolarHBondContact O-N 3.15Å
385	D	68.1	Low	53.5	Low	143 Å²	143	99.8 Å²	99.8	77%	0.765	52%	0.524	S	S	*	.	H	α-helix	trans	-54.2	-27.5	-177.5	-64.4	-20.4	0	0	0	113	L389	D385-L389 WeakPolarHBondContact O-CB 3.28Å; D385-L389 PolarHBondContact O-N 3.05Å
386	Q	60.1	Low	53.7	Low	160 Å²	160	98.4 Å²	98.4	75%	0.748	52%	0.517	S	S	*	.	H	α-helix	trans	-75	-37	177.3	-67.4	-168.2	-64.9	0	0	112	D384 L389 A390	D384-Q386 PolarHBondContact O-N 3.41Å; D384-Q386 WeakPolarHBondContact OD1-CA 3.42Å; D384-Q386 VanDerWaalsContact OD1-CB 3.29Å; D384-Q386 WeakPolarHBondContact OD1-CB 3.42Å; D384-Q386 PolarHBondContact OD1-N 2.83Å; Q386-L389 PolarHBondContact O-N 2.92Å; Q386-A390 WeakPolarHBondContact O-CB 3.34Å; Q386-A390 PolarHBondContact O-N 2.92Å
387	Q	59.4	Low	54	Low	93 Å²	93	95.6 Å²	95.6	44%	0.435	51%	0.508	S	S	.	.	H	α-helix	trans	-68.1	-40	177	-68	177.3	-11.1	0	0	111.8	L383 D384 A390 L391	L383-Q387 HydrophobicContact CD2-CB 3.63Å; D384-Q387 PolarHBondContact O-N 3.08Å; D384-Q387 WeakPolarHBondContact OD1-CG 3.29Å; D384-Q387 PolarHBondContact OD1-N 2.97Å; Q387-A390 PolarHBondContact O-N 2.77Å; Q387-L391 PolarHBondContact O-N 2.98Å
388	E	52.1	Low	53.7	Low	71 Å²	71	96.4 Å²	96.4	33%	0.332	51%	0.512	S	S	.	.	H	α-helix	trans	-61.6	-44.6	173.4	-173.7	177.5	161.4	0	0	111.1	D384 A390 L391 R392	D384-E388 PolarHBondContact O-N 3.15Å; E388-A390 PolarHBondContact O-N 3.49Å; E388-L391 PolarHBondContact O-N 3.48Å; E388-R392 PolarHBondContact O-N 3.48Å; E388-R392 IonicContact OE1-NE 3.21Å; E388-R392 IonicContact OE1-NH2 3.31Å
389	L	59.4	Low	53.1	Low	99 Å²	99	96 Å²	96	52%	0.518	50%	0.502	S	S	.	.	H	α-helix	trans	-63.1	-41.6	177.7	-173.6	66.8	0	0	0	112.3	D385 Q386 R392 Q393	D385-L389 WeakPolarHBondContact O-CB 3.28Å; D385-L389 PolarHBondContact O-N 3.05Å; Q386-L389 PolarHBondContact O-N 2.92Å; L389-R392 PolarHBondContact O-N 3.24Å; L389-Q393 WeakPolarHBondContact O-CG 3.36Å; L389-Q393 PolarHBondContact O-N 3.42Å
390	A	59.3	Low	53.1	Low	46 Å²	46	98.1 Å²	98.1	38%	0.38	50%	0.501	S	S	.	.	H	α-helix	trans	-63.7	-42.8	177.6	0	0	0	0	0	112	Q386 Q387 E388 Q393 E394	Q386-A390 WeakPolarHBondContact O-CB 3.34Å; Q386-A390 PolarHBondContact O-N 2.92Å; Q387-A390 PolarHBondContact O-N 2.77Å; E388-A390 PolarHBondContact O-N 3.49Å; A390-Q393 PolarHBondContact O-N 3.28Å; A390-E394 PolarHBondContact O-N 2.79Å
391	L	50	Low	52.9	Low	95 Å²	95	97.4 Å²	97.4	50%	0.497	50%	0.503	S	S	.	.	H	α-helix	trans	-63	-42.3	175.9	-83.7	161.3	0	0	0	112.2	L383 Q387 E388 Q393 E394 L395	L383-L391 HydrophobicContact CD2-CD1 3.86Å; Q387-L391 PolarHBondContact O-N 2.98Å; E388-L391 PolarHBondContact O-N 3.48Å; L391-Q393 VanDerWaalsContact C-N 3.34Å; L391-Q393 PolarHBondContact O-N 3.27Å; L391-E394 PolarHBondContact O-N 2.99Å; L391-L395 WeakPolarHBondContact O-CB 3.44Å; L391-L395 PolarHBondContact O-N 3.19Å
392	R	48.8	Very low	52.1	Low	131 Å²	131	94.8 Å²	94.8	49%	0.494	48%	0.482	S	S	.	.	H	α-helix	trans	-58.6	-46.7	173.3	-78.2	-179	177.8	-123.3	-0.5	111.2	E388 L389 E394 L395 D396	E388-R392 PolarHBondContact O-N 3.48Å; E388-R392 IonicContact OE1-NE 3.21Å; E388-R392 IonicContact OE1-NH2 3.31Å; L389-R392 PolarHBondContact O-N 3.24Å; R392-E394 PolarHBondContact O-N 3.49Å; R392-L395 PolarHBondContact O-N 2.86Å; R392-D396 VanDerWaalsContact O-CG 3.31Å; R392-D396 PolarHBondContact O-N 3.38Å
393	Q	58	Low	51.7	Low	114 Å²	114	91.1 Å²	91.1	53%	0.533	47%	0.467	S	S	.	.	H	α-helix	trans	-64	-38.2	179.1	-72.9	176.7	-6.6	0	0	113.4	L389 A390 L391 A397	L389-Q393 WeakPolarHBondContact O-CG 3.36Å; L389-Q393 PolarHBondContact O-N 3.42Å; A390-Q393 PolarHBondContact O-N 3.28Å; L391-Q393 VanDerWaalsContact C-N 3.34Å; L391-Q393 PolarHBondContact O-N 3.27Å; Q393-A397 WeakPolarHBondContact O-CB 3.25Å; Q393-A397 PolarHBondContact O-N 2.94Å
394	E	51.8	Low	51.8	Low	135 Å²	135	90.4 Å²	90.4	63%	0.631	47%	0.466	S	S	*	.	H	α-helix	trans	-66.1	-41.1	174.2	-79.2	-172.6	170.8	0	0	111.9	A390 L391 R392 A397 H398	A390-E394 PolarHBondContact O-N 2.79Å; L391-E394 PolarHBondContact O-N 2.99Å; R392-E394 PolarHBondContact O-N 3.49Å; E394-A397 WeakPolarHBondContact O-CB 3.39Å; E394-A397 PolarHBondContact O-N 2.98Å; E394-H398 PolarHBondContact O-N 3.47Å
395	L	44.2	Very low	50.8	Low	98 Å²	98	93 Å²	93	51%	0.513	47%	0.47	S	S	.	.	H	α-helix	trans	-61.8	-47.6	176.7	-146.7	82.4	0	0	0	110.7	L391 R392 A397 H398 D399 Y522	L391-L395 WeakPolarHBondContact O-CB 3.44Å; L391-L395 PolarHBondContact O-N 3.19Å; R392-L395 PolarHBondContact O-N 2.86Å; L395-A397 VanDerWaalsContact C-N 3.29Å; L395-A397 PolarHBondContact O-N 3.39Å; L395-H398 PolarHBondContact O-N 2.96Å; L395-H398 VanDerWaalsContact O-N 3.1Å; L395-D399 PolarHBondContact O-N 2.86Å; L395-Y522 HydrophobicContact CD2-CE2 4.43Å; L395-Y522 HydrophobicContact CG-CE2 4.25Å
396	D	48.1	Very low	50.1	Low	85 Å²	85	87.3 Å²	87.3	46%	0.455	44%	0.442	S	S	.	.	H	α-helix	trans	-61.7	-36.1	176.2	-69.3	-21.3	0	0	0	112	R392 R400	R392-D396 VanDerWaalsContact O-CG 3.31Å; R392-D396 PolarHBondContact O-N 3.38Å; D396-R400 WeakPolarHBondContact O-CB 3.29Å; D396-R400 VanDerWaalsContact O-CG 3.24Å; D396-R400 WeakPolarHBondContact O-CG 3.27Å; D396-R400 PolarHBondContact O-N 3.45Å; D396-R400 VanDerWaalsContact O-N 3.17Å; D396-R400 PolarHBondContact O-NE 3.38Å
397	A	47	Very low	49.7	Very low	37 Å²	37	82 Å²	82	31%	0.306	42%	0.418	S	S	.	.	H	α-helix	trans	-65.3	-41.9	173.5	0	0	0	0	0	112	Q393 E394 L395 R400 D401	Q393-A397 WeakPolarHBondContact O-CB 3.25Å; Q393-A397 PolarHBondContact O-N 2.94Å; E394-A397 WeakPolarHBondContact O-CB 3.39Å; E394-A397 PolarHBondContact O-N 2.98Å; L395-A397 VanDerWaalsContact C-N 3.29Å; L395-A397 PolarHBondContact O-N 3.39Å; A397-R400 WeakPolarHBondContact O-CB 3.42Å; A397-R400 PolarHBondContact O-N 3.29Å; A397-D401 PolarHBondContact O-N 3.44Å; A397-D401 VanDerWaalsContact O-N 3.09Å
398	H	43.1	Very low	49.2	Very low	121 Å²	121	82.5 Å²	82.5	56%	0.56	42%	0.423	S	S	*	.	H	α-helix	trans	-70.9	-34.8	-178.6	-156	-68.7	0	0	0	112.3	E394 L395 D401 A402	E394-H398 PolarHBondContact O-N 3.47Å; L395-H398 PolarHBondContact O-N 2.96Å; L395-H398 VanDerWaalsContact O-N 3.1Å; H398-D401 PolarHBondContact O-N 3.46Å; H398-A402 PolarHBondContact O-N 2.94Å
399	D	44.9	Very low	49.3	Very low	41 Å²	41	86.1 Å²	86.1	22%	0.219	44%	0.438	C	S	.	.	H	α-helix	trans	-62.1	-43.2	170.8	-94.4	-51.8	0	0	0	112.1	L395 D401 A402 S403 Y522 L526	L395-D399 PolarHBondContact O-N 2.86Å; D399-D401 PolarHBondContact O-N 3.47Å; D399-A402 PolarHBondContact O-N 3.36Å; D399-S403 PolarHBondContact O-N 3.11Å; D399-Y522 PolarHBondContact OD1-OH 2.79Å; D399-Y522 WeakPolarHBondContact OD2-CE2 3.37Å; D399-Y522 PolarHBondContact OD2-OH 2.92Å; D399-L526 WeakPolarHBondContact OD1-CD1 3.48Å
400	R	44.8	Very low	49.4	Very low	89 Å²	89	85.6 Å²	85.6	34%	0.336	43%	0.433	S	S	.	.	H	α-helix	trans	-59.9	-45.1	176.5	-78.6	177.3	-72.6	-168	1.1	112	D396 A397 T404 I545 D548	D396-R400 WeakPolarHBondContact O-CB 3.29Å; D396-R400 VanDerWaalsContact O-CG 3.24Å; D396-R400 WeakPolarHBondContact O-CG 3.27Å; D396-R400 PolarHBondContact O-N 3.45Å; D396-R400 VanDerWaalsContact O-N 3.17Å; D396-R400 PolarHBondContact O-NE 3.38Å; A397-R400 WeakPolarHBondContact O-CB 3.42Å; A397-R400 PolarHBondContact O-N 3.29Å; R400-T404 VanDerWaalsContact O-CB 3.26Å; R400-T404 WeakPolarHBondContact O-CB 3.2Å; R400-T404 PolarHBondContact O-N 3.09Å; R400-T404 VanDerWaalsContact O-N 3.12Å; R400-T404 PolarHBondContact O-OG1 2.9Å; R400-I545 HydrophobicContact CG-CD1 4.46Å; R400-D548 IonicContact NH1-OD2 3.18Å
401	D	45.5	Very low	49.7	Very low	117 Å²	117	83.4 Å²	83.4	63%	0.626	42%	0.415	S	S	*	.	H	α-helix	trans	-66.7	-40.6	-179.4	-82.8	-9.4	0	0	0	112.5	A397 H398 D399 Y405	A397-D401 PolarHBondContact O-N 3.44Å; A397-D401 VanDerWaalsContact O-N 3.09Å; H398-D401 PolarHBondContact O-N 3.46Å; D399-D401 PolarHBondContact O-N 3.47Å; D401-Y405 VanDerWaalsContact O-CB 3.26Å; D401-Y405 WeakPolarHBondContact O-CB 3.41Å; D401-Y405 PolarHBondContact O-N 3.21Å
402	A	43.1	Very low	50.3	Low	34 Å²	34	80.6 Å²	80.6	28%	0.281	41%	0.405	S	S	.	.	H	α-helix	trans	-65.1	-43.2	-179.3	0	0	0	0	0	112.5	H398 D399 W523	H398-A402 PolarHBondContact O-N 2.94Å; D399-A402 PolarHBondContact O-N 3.36Å; A402-W523 HydrophobicContact CB-CH2 4.24Å
403	S	49.4	Very low	51	Low	63 Å²	63	79.6 Å²	79.6	44%	0.441	42%	0.419	S	S	.	.	H	α-helix	trans	-68.3	-42.8	178.8	-168.6	0	0	0	0	111.9	D399 L407	D399-S403 PolarHBondContact O-N 3.11Å; S403-L407 PolarHBondContact O-N 3.44Å
404	T	44.7	Very low	51	Low	46 Å²	46	75.9 Å²	75.9	28%	0.282	40%	0.404	S	S	.	.	H	α-helix	trans	-68.8	-41.2	-177.6	-56.4	0	0	0	0	112.1	R400 C406 L407 L408	R400-T404 VanDerWaalsContact O-CB 3.26Å; R400-T404 WeakPolarHBondContact O-CB 3.2Å; R400-T404 PolarHBondContact O-N 3.09Å; R400-T404 VanDerWaalsContact O-N 3.12Å; R400-T404 PolarHBondContact O-OG1 2.9Å; T404-C406 PolarHBondContact O-N 2.9Å; T404-L407 PolarHBondContact O-N 2.87Å; T404-L408 HydrophobicContact CG2-CD1 3.5Å; T404-L408 VanDerWaalsContact CG2-CD1 3.5Å; T404-L408 HydrophobicContact CG2-CG 4.19Å; T404-L408 WeakPolarHBondContact O-CB 3.43Å; T404-L408 PolarHBondContact O-N 3.33Å
405	Y	45.8	Very low	50.9	Low	135 Å²	135	75 Å²	75	53%	0.529	40%	0.399	S	S	.	.	H	α-helix	trans	-60	-44.3	179.6	-174.1	-92.1	0	0	0	112.6	D401 K409	D401-Y405 VanDerWaalsContact O-CB 3.26Å; D401-Y405 WeakPolarHBondContact O-CB 3.41Å; D401-Y405 PolarHBondContact O-N 3.21Å; Y405-K409 HydrophobicContact CD2-CD 4.17Å; Y405-K409 HydrophobicContact CE2-CD 3.5Å; Y405-K409 VanDerWaalsContact CE2-CD 3.5Å; Y405-K409 VanDerWaalsContact O-CB 3.31Å; Y405-K409 WeakPolarHBondContact O-CB 3.49Å; Y405-K409 PolarHBondContact O-N 3.17Å
406	C	52.4	Low	51.2	Low	24 Å²	24	73.4 Å²	73.4	16%	0.162	40%	0.395	C	S	.	.	I	π-helix	trans	-68.1	-40	-179.4	177.4	0	0	0	0	112.1	T404 C438	T404-C406 PolarHBondContact O-N 2.9Å; C406-C438 WeakPolarHBondContact CB-SG 3.39Å; C406-C438 WeakPolarHBondContact SG-CB 3.41Å; C406-C438 CovalentContact SG-SG 2.05Å; C406-C438 PolarHBondContact SG-SG 3.4Å
407	L	52.3	Low	51.3	Low	47 Å²	47	75.9 Å²	75.9	25%	0.246	41%	0.413	C	S	.	.	I	π-helix	trans	-74.1	-47.3	-178.6	-73.5	172.4	0	0	0	113.1	S403 T404 A412 F431 V435	S403-L407 PolarHBondContact O-N 3.44Å; T404-L407 PolarHBondContact O-N 2.87Å; L407-A412 PolarHBondContact O-N 2.61Å; L407-F431 HydrophobicContact CD2-CZ 4.46Å; L407-V435 HydrophobicContact CD2-CG2 4.16Å
408	L	49	Very low	51.3	Low	104 Å²	104	85 Å²	85	55%	0.545	44%	0.44	S	S	.	.	I	π-helix	trans	-82.7	-32.2	-171.9	-71.8	179.9	0	0	0	113.6	T404 A412	T404-L408 HydrophobicContact CG2-CD1 3.5Å; T404-L408 VanDerWaalsContact CG2-CD1 3.5Å; T404-L408 HydrophobicContact CG2-CG 4.19Å; T404-L408 WeakPolarHBondContact O-CB 3.43Å; T404-L408 PolarHBondContact O-N 3.33Å; L408-A412 WeakPolarHBondContact O-CB 3.34Å
409	K	54.6	Low	51.3	Low	147 Å²	147	90.1 Å²	90.1	64%	0.639	46%	0.456	S	S	*	.	I	π-helix	trans	-96.4	-42.4	-170.6	-145.4	179.3	-178	-177.2	0	113.2	Y405	Y405-K409 HydrophobicContact CD2-CD 4.17Å; Y405-K409 HydrophobicContact CE2-CD 3.5Å; Y405-K409 VanDerWaalsContact CE2-CD 3.5Å; Y405-K409 VanDerWaalsContact O-CB 3.31Å; Y405-K409 WeakPolarHBondContact O-CB 3.49Å; Y405-K409 PolarHBondContact O-N 3.17Å
410	E	60.7	Low	51.3	Low	88 Å²	88	91.2 Å²	91.2	41%	0.411	47%	0.467	S	S	.	.	I	π-helix	trans	-88.4	-43.4	-177	-64.5	-159.2	166.7	0	0	112.4	C438	E410-C438 PolarHBondContact OE2-SG 3.12Å
411	C	66.2	Low	51.5	Low	0 Å²	0	93.4 Å²	93.4	0%	0	50%	0.495	C	S	.	.	S	Bend	trans	-99.1	-9.6	-172.8	-61.2	0	0	0	0	115.2	S413 T414 F431 C434	C411-S413 VanDerWaalsContact C-N 3.25Å; C411-S413 PolarHBondContact O-N 3.04Å; C411-T414 PolarHBondContact O-N 3.45Å; C411-T414 PolarHBondContact O-OG1 2.97Å; C411-F431 HydrophobicContact CB-CD2 4.2Å; C411-F431 HydrophobicContact CB-CE2 3.91Å; C411-C434 WeakPolarHBondContact CA-SG 3.5Å; C411-C434 HydrophobicContact CB-CB 4.02Å; C411-C434 WeakPolarHBondContact CB-SG 3.43Å; C411-C434 WeakPolarHBondContact SG-CB 3.44Å; C411-C434 CovalentContact SG-SG 2.06Å; C411-C434 PolarHBondContact SG-SG 3.47Å
412	A	61.4	Low	51.5	Low	37 Å²	37	93 Å²	93	31%	0.306	50%	0.497	S	S	.	.	G	3₁₀ helix	trans	-62.2	-30.6	180	0	0	0	0	0	113.7	L407 L408 T414 Q415	L407-A412 PolarHBondContact O-N 2.61Å; L408-A412 WeakPolarHBondContact O-CB 3.34Å; A412-T414 PolarHBondContact O-N 3.27Å; A412-Q415 WeakPolarHBondContact O-CB 3.37Å; A412-Q415 PolarHBondContact O-N 2.71Å
413	S	63.9	Low	51.7	Low	110 Å²	110	94.9 Å²	94.9	77%	0.769	51%	0.509	S	S	*	.	G	3₁₀ helix	trans	-63.5	-19.6	175	63.2	0	0	0	0	113.5	C411	C411-S413 VanDerWaalsContact C-N 3.25Å; C411-S413 PolarHBondContact O-N 3.04Å
414	T	57.7	Low	51.8	Low	36 Å²	36	98.1 Å²	98.1	22%	0.221	52%	0.515	C	S	.	.	G	3₁₀ helix	trans	-95.4	2.3	176	62	0	0	0	0	113.3	C411 A412	C411-T414 PolarHBondContact O-N 3.45Å; C411-T414 PolarHBondContact O-OG1 2.97Å; A412-T414 PolarHBondContact O-N 3.27Å
415	Q	51	Low	52.1	Low	116 Å²	116	101 Å²	101	54%	0.542	53%	0.534	S	S	.	.	S	Bend	trans	-65.9	133.8	174.5	-80.3	-164.3	-5.8	0	0	110.4	A412 T417 F431	A412-Q415 WeakPolarHBondContact O-CB 3.37Å; A412-Q415 PolarHBondContact O-N 2.71Å; Q415-T417 PolarHBondContact O-N 3.48Å; Q415-F431 HydrophobicContact CG-CE2 4.34Å
416	P	50.1	Low	52.8	Low	65 Å²	65	100.2 Å²	100.2	42%	0.422	54%	0.535	S	S	.	.			trans	-61.1	112.1	175.2	21.4	-28.7	0	0	0	109.3	R418 T427	P416-R418 PolarHBondContact O-N 3Å; P416-T427 HydrophobicContact CB-CG2 4.3Å
417	T	49.8	Very low	53.2	Low	136 Å²	136	100.8 Å²	100.8	83%	0.834	54%	0.538	S	S	*	.			trans	-54.5	123.2	172.5	41.9	0	0	0	0	109.2	Q415 Y419	Q415-T417 PolarHBondContact O-N 3.48Å; T417-Y419 PolarHBondContact O-N 3.29Å
418	R	46.4	Very low	53.5	Low	228 Å²	228	107.2 Å²	107.2	86%	0.86	56%	0.559	S	S	*	*	S	Bend	trans	-68.3	22.1	-154.9	-140.9	179.6	-160.2	169.3	6.6	117.6	P416	P416-R418 PolarHBondContact O-N 3Å
419	Y	44.6	Very low	54.5	Low	230 Å²	230	106.6 Å²	106.6	90%	0.902	56%	0.56	S	S	*	*			trans	-132.7	61.5	-179.4	-80.6	-84.9	0	0	0	112	T417	T417-Y419 PolarHBondContact O-N 3.29Å
420	S	43.4	Very low	55.4	Low	64 Å²	64	104.9 Å²	104.9	45%	0.448	55%	0.554	S	S	.	*			trans	-161.2	119.1	150.3	-179	0	0	0	0	108.3	T422 S423	S420-T422 PolarHBondContact O-N 2.89Å; S420-T422 PolarHBondContact OG-N 3.49Å; S420-T422 VanDerWaalsContact OG-N 3.13Å; S420-T422 PolarHBondContact OG-OG1 3.41Å; S420-S423 PolarHBondContact O-N 3.34Å
421	S	48.5	Very low	55.7	Low	134 Å²	134	103.5 Å²	103.5	94%	0.937	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	4.6	167.5	43.3	0	0	0	0	113
422	T	46.5	Very low	55.8	Low	109 Å²	109	109.8 Å²	109.8	67%	0.669	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.4	49.2	165	55.1	0	0	0	0	110.6	S420 K424	S420-T422 PolarHBondContact O-N 2.89Å; S420-T422 PolarHBondContact OG-N 3.49Å; S420-T422 VanDerWaalsContact OG-N 3.13Å; S420-T422 PolarHBondContact OG-OG1 3.41Å; T422-K424 PolarHBondContact O-N 2.99Å
423	S	46.9	Very low	56.4	Low	74 Å²	74	110.5 Å²	110.5	52%	0.517	58%	0.58	S	S	.	*			trans	-61.5	106.4	163.8	61.7	0	0	0	0	107.5	S420	S420-S423 PolarHBondContact O-N 3.34Å
424	K	51.1	Low	56.8	Low	131 Å²	131	106.4 Å²	106.4	57%	0.57	55%	0.551	S	S	*	*			trans	-56.5	143.2	-173.6	-68.7	-177	179.3	180	0	110.3	T422 E426 T427	T422-K424 PolarHBondContact O-N 2.99Å; K424-E426 HydrophobicContact CB-CB 4.25Å; K424-E426 VanDerWaalsContact CD-OE2 3.22Å; K424-E426 WeakPolarHBondContact CD-OE2 3.48Å; K424-E426 PolarHBondContact O-N 3.37Å; K424-T427 PolarHBondContact O-N 2.71Å; K424-T427 PolarHBondContact O-OG1 3.47Å
425	P	52.1	Low	57	Low	105 Å²	105	105.9 Å²	105.9	68%	0.682	55%	0.548	S	S	*	.	H	α-helix	trans	-48.7	-26.8	173.3	-27.3	33.4	0	0	0	114.1	T427 R428 T429	P425-T427 PolarHBondContact O-N 2.88Å; P425-R428 PolarHBondContact O-N 2.8Å; P425-T429 PolarHBondContact O-N 3.39Å; P425-T429 PolarHBondContact O-OG1 3.14Å
426	E	60.6	Low	57.5	Low	120 Å²	120	106.2 Å²	106.2	56%	0.561	55%	0.549	S	S	*	.	H	α-helix	trans	-54	-48.4	174.2	-68.3	159.9	-179.9	0	0	112.1	K424 R428 T429 E430	K424-E426 HydrophobicContact CB-CB 4.25Å; K424-E426 VanDerWaalsContact CD-OE2 3.22Å; K424-E426 WeakPolarHBondContact CD-OE2 3.48Å; K424-E426 PolarHBondContact O-N 3.37Å; E426-R428 VanDerWaalsContact C-N 3.34Å; E426-R428 PolarHBondContact O-N 3.49Å; E426-T429 WeakPolarHBondContact O-CB 3.33Å; E426-T429 PolarHBondContact O-N 3.06Å; E426-T429 VanDerWaalsContact O-N 3.08Å; E426-E430 WeakPolarHBondContact O-CG 3.38Å; E426-E430 PolarHBondContact O-N 3.07Å
427	T	60.9	Low	58.1	Low	36 Å²	36	109.2 Å²	109.2	22%	0.221	56%	0.558	C	S	.	*	H	α-helix	trans	-67.4	-34.6	-175.9	-20.3	0	0	0	0	112.2	P416 K424 P425 T429 E430 F431	P416-T427 HydrophobicContact CB-CG2 4.3Å; K424-T427 PolarHBondContact O-N 2.71Å; K424-T427 PolarHBondContact O-OG1 3.47Å; P425-T427 PolarHBondContact O-N 2.88Å; T427-T429 VanDerWaalsContact C-N 3.31Å; T427-E430 PolarHBondContact O-N 3Å; T427-F431 PolarHBondContact O-N 3.3Å
428	R	59.1	Low	58.5	Low	182 Å²	182	103.1 Å²	103.1	69%	0.687	52%	0.521	S	S	*	.	H	α-helix	trans	-68.8	-34.3	175.2	-168.5	178.7	-171.9	-170.7	2.4	111.5	P425 E426 K432	P425-R428 PolarHBondContact O-N 2.8Å; E426-R428 VanDerWaalsContact C-N 3.34Å; E426-R428 PolarHBondContact O-N 3.49Å; R428-K432 WeakPolarHBondContact O-CB 3.35Å; R428-K432 WeakPolarHBondContact O-CG 3.06Å; R428-K432 PolarHBondContact O-N 2.99Å; R428-K432 VanDerWaalsContact O-N 3.09Å
429	T	69.4	Low	58.9	Low	91 Å²	91	96.3 Å²	96.3	56%	0.558	50%	0.497	S	S	*	.	H	α-helix	trans	-71.6	-42.3	177.5	-54	0	0	0	0	110.5	P425 E426 T427 K432 A433	P425-T429 PolarHBondContact O-N 3.39Å; P425-T429 PolarHBondContact O-OG1 3.14Å; E426-T429 WeakPolarHBondContact O-CB 3.33Å; E426-T429 PolarHBondContact O-N 3.06Å; E426-T429 VanDerWaalsContact O-N 3.08Å; T427-T429 VanDerWaalsContact C-N 3.31Å; T429-K432 PolarHBondContact O-N 3.3Å; T429-A433 WeakPolarHBondContact O-CB 3.45Å; T429-A433 PolarHBondContact O-N 3.42Å
430	E	73.4	Confident	59.4	Low	111 Å²	111	93.1 Å²	93.1	52%	0.519	49%	0.488	S	S	.	.	H	α-helix	trans	-61.4	-45.9	173.9	-73.3	173	178.4	0	0	112.2	E426 T427 K432 A433 C434	E426-E430 WeakPolarHBondContact O-CG 3.38Å; E426-E430 PolarHBondContact O-N 3.07Å; T427-E430 PolarHBondContact O-N 3Å; E430-K432 PolarHBondContact O-N 3Å; E430-A433 PolarHBondContact O-N 2.86Å; E430-C434 WeakPolarHBondContact O-CB 3.43Å; E430-C434 PolarHBondContact O-N 2.88Å
431	F	66.5	Low	59.8	Low	59 Å²	59	97 Å²	97	26%	0.259	50%	0.497	S	S	.	.	H	α-helix	trans	-61.2	-44.8	175.5	-178.7	-100.7	0	0	0	111.7	L407 C411 Q415 T427 A433 C434 V435	L407-F431 HydrophobicContact CD2-CZ 4.46Å; C411-F431 HydrophobicContact CB-CD2 4.2Å; C411-F431 HydrophobicContact CB-CE2 3.91Å; Q415-F431 HydrophobicContact CG-CE2 4.34Å; T427-F431 PolarHBondContact O-N 3.3Å; F431-A433 VanDerWaalsContact C-N 3.32Å; F431-A433 PolarHBondContact O-N 2.94Å; F431-C434 PolarHBondContact O-N 3.5Å; F431-V435 HydrophobicContact CD1-CG2 4.2Å; F431-V435 HydrophobicContact CE1-CG2 3.8Å; F431-V435 HydrophobicContact CE2-CG2 4.21Å; F431-V435 HydrophobicContact CZ-CG2 3.8Å; F431-V435 WeakPolarHBondContact O-CB 3.13Å; F431-V435 VanDerWaalsContact O-CG2 3.29Å; F431-V435 WeakPolarHBondContact O-CG2 3.42Å; F431-V435 PolarHBondContact O-N 3.18Å
432	K	68.3	Low	60.1	Low	131 Å²	131	92.8 Å²	92.8	57%	0.57	47%	0.47	S	S	*	.	H	α-helix	trans	-61	-41	174.8	-79.4	-179.5	176.7	-173.4	0	112	R428 T429 E430 H436	R428-K432 WeakPolarHBondContact O-CB 3.35Å; R428-K432 WeakPolarHBondContact O-CG 3.06Å; R428-K432 PolarHBondContact O-N 2.99Å; R428-K432 VanDerWaalsContact O-N 3.09Å; T429-K432 PolarHBondContact O-N 3.3Å; E430-K432 PolarHBondContact O-N 3Å; K432-H436 WeakPolarHBondContact O-CB 3.36Å; K432-H436 PolarHBondContact O-N 2.79Å
433	A	73.7	Confident	60.5	Low	53 Å²	53	90.6 Å²	90.6	44%	0.438	45%	0.453	S	S	.	.	H	α-helix	trans	-66.6	-43.6	177.3	0	0	0	0	0	111.2	T429 E430 F431 H436 Q437	T429-A433 WeakPolarHBondContact O-CB 3.45Å; T429-A433 PolarHBondContact O-N 3.42Å; E430-A433 PolarHBondContact O-N 2.86Å; F431-A433 VanDerWaalsContact C-N 3.32Å; F431-A433 PolarHBondContact O-N 2.94Å; A433-H436 CarbonylContact O-C 3.5Å; A433-H436 PolarHBondContact O-N 2.96Å; A433-H436 VanDerWaalsContact O-N 3.16Å; A433-Q437 VanDerWaalsContact O-CB 3.3Å; A433-Q437 WeakPolarHBondContact O-CB 3.26Å; A433-Q437 PolarHBondContact O-N 3.48Å
434	C	72.8	Confident	61.1	Low	23 Å²	23	91.5 Å²	91.5	16%	0.155	46%	0.456	C	S	.	.	H	α-helix	trans	-58.1	-50.3	173.8	-178.7	0	0	0	0	110.8	C411 E430 F431 H436 Q437 C438	C411-C434 WeakPolarHBondContact CA-SG 3.5Å; C411-C434 HydrophobicContact CB-CB 4.02Å; C411-C434 WeakPolarHBondContact CB-SG 3.43Å; C411-C434 WeakPolarHBondContact SG-CB 3.44Å; C411-C434 CovalentContact SG-SG 2.06Å; C411-C434 PolarHBondContact SG-SG 3.47Å; E430-C434 WeakPolarHBondContact O-CB 3.43Å; E430-C434 PolarHBondContact O-N 2.88Å; F431-C434 PolarHBondContact O-N 3.5Å; C434-H436 VanDerWaalsContact C-N 3.28Å; C434-H436 PolarHBondContact O-N 3.18Å; C434-Q437 PolarHBondContact O-N 3Å; C434-Q437 VanDerWaalsContact O-N 3.12Å; C434-C438 VanDerWaalsContact O-CB 3.28Å; C434-C438 WeakPolarHBondContact O-CB 3.46Å; C434-C438 PolarHBondContact O-N 3.05Å
435	V	61.7	Low	61.9	Low	26 Å²	26	86.2 Å²	86.2	16%	0.158	43%	0.434	C	S	.	.	H	α-helix	trans	-58.5	-41.8	176.1	168.6	0	0	0	0	110.6	L407 F431 K439	L407-V435 HydrophobicContact CD2-CG2 4.16Å; F431-V435 HydrophobicContact CD1-CG2 4.2Å; F431-V435 HydrophobicContact CE1-CG2 3.8Å; F431-V435 HydrophobicContact CE2-CG2 4.21Å; F431-V435 HydrophobicContact CZ-CG2 3.8Å; F431-V435 WeakPolarHBondContact O-CB 3.13Å; F431-V435 VanDerWaalsContact O-CG2 3.29Å; F431-V435 WeakPolarHBondContact O-CG2 3.42Å; F431-V435 PolarHBondContact O-N 3.18Å; V435-K439 HydrophobicContact CG1-CD 4.48Å; V435-K439 WeakPolarHBondContact O-CB 3.46Å; V435-K439 WeakPolarHBondContact O-CG 3.45Å; V435-K439 PolarHBondContact O-N 3.2Å
436	H	62.7	Low	63.1	Low	122 Å²	122	84.2 Å²	84.2	57%	0.565	42%	0.42	S	S	*	.	H	α-helix	trans	-68.8	-34.2	177.1	-159.9	-35.6	0	0	0	113.5	K432 A433 C434 K439 K440	K432-H436 WeakPolarHBondContact O-CB 3.36Å; K432-H436 PolarHBondContact O-N 2.79Å; A433-H436 CarbonylContact O-C 3.5Å; A433-H436 PolarHBondContact O-N 2.96Å; A433-H436 VanDerWaalsContact O-N 3.16Å; C434-H436 VanDerWaalsContact C-N 3.28Å; C434-H436 PolarHBondContact O-N 3.18Å; H436-K439 WeakPolarHBondContact O-CB 3.45Å; H436-K440 PolarHBondContact O-N 2.83Å
437	Q	62.4	Low	64	Low	129 Å²	129	86 Å²	86	60%	0.603	43%	0.426	S	S	*	.	H	α-helix	trans	-78.1	-38.6	-179.9	-157	174	20.4	0	0	111.1	A433 C434 K440 K441	A433-Q437 VanDerWaalsContact O-CB 3.3Å; A433-Q437 WeakPolarHBondContact O-CB 3.26Å; A433-Q437 PolarHBondContact O-N 3.48Å; C434-Q437 PolarHBondContact O-N 3Å; C434-Q437 VanDerWaalsContact O-N 3.12Å; Q437-K440 PolarHBondContact O-N 2.6Å; Q437-K441 PolarHBondContact O-N 3.44Å
438	C	57.9	Low	64.9	Low	8 Å²	8	91.5 Å²	91.5	5%	0.054	45%	0.449	C	S	.	.	H	α-helix	trans	-61.9	-43.5	169.5	-170.6	0	0	0	0	110.2	C406 E410 C434 K440 K441 A442	C406-C438 WeakPolarHBondContact CB-SG 3.39Å; C406-C438 WeakPolarHBondContact SG-CB 3.41Å; C406-C438 CovalentContact SG-SG 2.05Å; C406-C438 PolarHBondContact SG-SG 3.4Å; E410-C438 PolarHBondContact OE2-SG 3.12Å; C434-C438 VanDerWaalsContact O-CB 3.28Å; C434-C438 WeakPolarHBondContact O-CB 3.46Å; C434-C438 PolarHBondContact O-N 3.05Å; C438-K440 VanDerWaalsContact C-N 3.34Å; C438-K440 PolarHBondContact O-N 2.95Å; C438-K441 PolarHBondContact O-N 2.85Å; C438-K441 VanDerWaalsContact O-N 3.17Å; C438-A442 WeakPolarHBondContact O-CB 3.49Å; C438-A442 PolarHBondContact O-N 3.43Å
439	K	55.3	Low	66.2	Low	84 Å²	84	84.3 Å²	84.3	37%	0.365	42%	0.423	S	S	.	.	H	α-helix	trans	-50.5	-52.2	168.1	-79.4	174.8	-169.8	-177.5	0	110.9	V435 H436 K441 A442 L443	V435-K439 HydrophobicContact CG1-CD 4.48Å; V435-K439 WeakPolarHBondContact O-CB 3.46Å; V435-K439 WeakPolarHBondContact O-CG 3.45Å; V435-K439 PolarHBondContact O-N 3.2Å; H436-K439 WeakPolarHBondContact O-CB 3.45Å; K439-K441 VanDerWaalsContact C-N 3.29Å; K439-K441 PolarHBondContact O-N 3.31Å; K439-A442 PolarHBondContact O-N 2.93Å; K439-L443 HydrophobicContact CB-CD1 3.85Å; K439-L443 HydrophobicContact CG-CD1 4.48Å; K439-L443 WeakPolarHBondContact O-CB 3.34Å; K439-L443 WeakPolarHBondContact O-CD1 3.31Å; K439-L443 WeakPolarHBondContact O-CG 3.43Å; K439-L443 PolarHBondContact O-N 3.38Å; K439-L443 VanDerWaalsContact O-N 3.09Å
440	K	53.4	Low	66.7	Low	163 Å²	163	83.5 Å²	83.5	71%	0.709	42%	0.415	S	S	*	.	H	α-helix	trans	-64.4	-31.9	-177.1	-156.7	175.6	-175	177.4	0	113.3	H436 Q437 C438	H436-K440 PolarHBondContact O-N 2.83Å; Q437-K440 PolarHBondContact O-N 2.6Å; C438-K440 VanDerWaalsContact C-N 3.34Å; C438-K440 PolarHBondContact O-N 2.95Å
441	K	53.3	Low	67.3	Low	147 Å²	147	82.4 Å²	82.4	64%	0.639	41%	0.41	S	S	*	.	H	α-helix	trans	-76.7	-34.7	177	-75	-177	180	177.1	0	113.3	Q437 C438 K439	Q437-K441 PolarHBondContact O-N 3.44Å; C438-K441 PolarHBondContact O-N 2.85Å; C438-K441 VanDerWaalsContact O-N 3.17Å; K439-K441 VanDerWaalsContact C-N 3.29Å; K439-K441 PolarHBondContact O-N 3.31Å
442	A	53.9	Low	68.4	Low	44 Å²	44	83.1 Å²	83.1	36%	0.364	42%	0.416	S	S	.	.	H	α-helix	trans	-80.7	-27	-178.8	0	0	0	0	0	113.8	C438 K439 T444	C438-A442 WeakPolarHBondContact O-CB 3.49Å; C438-A442 PolarHBondContact O-N 3.43Å; K439-A442 PolarHBondContact O-N 2.93Å; A442-T444 PolarHBondContact O-N 3.13Å
443	L	55.2	Low	69.2	Low	63 Å²	63	78.2 Å²	78.2	33%	0.33	40%	0.395	S	S	.	.	S	Bend	trans	-89.2	4.8	-165.5	-71	167.9	0	0	0	116.1	K439 W523	K439-L443 HydrophobicContact CB-CD1 3.85Å; K439-L443 HydrophobicContact CG-CD1 4.48Å; K439-L443 WeakPolarHBondContact O-CB 3.34Å; K439-L443 WeakPolarHBondContact O-CD1 3.31Å; K439-L443 WeakPolarHBondContact O-CG 3.43Å; K439-L443 PolarHBondContact O-N 3.38Å; K439-L443 VanDerWaalsContact O-N 3.09Å; L443-W523 HydrophobicContact CD2-CE3 4.19Å
444	T	59.7	Low	69.8	Low	94 Å²	94	81.4 Å²	81.4	58%	0.577	40%	0.399	S	S	*	.	S	Bend	trans	-131.7	141.4	177.7	51.4	0	0	0	0	108.9	A442 T446	A442-T444 PolarHBondContact O-N 3.13Å; T444-T446 PolarHBondContact O-N 2.92Å
445	L	67.3	Low	70.5	Confident	20 Å²	20	86.9 Å²	86.9	11%	0.105	42%	0.416	C	S	.	.			trans	-45.3	123.7	161.4	-73.6	175.5	0	0	0	106	E449 L450 K453 L516 Q520	L445-E449 HydrophobicContact CB-CB 3.97Å; L445-E449 HydrophobicContact CD2-CB 3.96Å; L445-E449 HydrophobicContact CD2-CG 4.49Å; L445-E449 HydrophobicContact CG-CB 4.47Å; L445-L450 HydrophobicContact CB-CD1 4.38Å; L445-L450 HydrophobicContact CD1-CD1 4.26Å; L445-K453 HydrophobicContact CD1-CD 4.28Å; L445-L516 HydrophobicContact CD2-CD2 4.22Å; L445-Q520 HydrophobicContact CD1-CB 4.42Å
446	T	77.8	Confident	71.8	Confident	63 Å²	63	86.2 Å²	86.2	39%	0.387	41%	0.412	S	S	.	.			trans	-51	151.1	176.4	57.4	0	0	0	0	108	T444 E448 E449 L450	T444-T446 PolarHBondContact O-N 2.92Å; T446-E448 PolarHBondContact O-N 3.39Å; T446-E449 WeakPolarHBondContact CB-OE2 3.35Å; T446-E449 WeakPolarHBondContact CG2-OE2 3.32Å; T446-E449 PolarHBondContact N-OE2 3.01Å; T446-E449 WeakPolarHBondContact O-CA 3.46Å; T446-E449 PolarHBondContact O-N 3.21Å; T446-E449 WeakPolarHBondContact OG1-CB 3.29Å; T446-E449 WeakPolarHBondContact OG1-CG 3.41Å; T446-E449 PolarHBondContact OG1-N 3.06Å; T446-E449 VanDerWaalsContact OG1-N 3.15Å; T446-E449 PolarHBondContact OG1-OE2 3.22Å; T446-L450 PolarHBondContact O-N 3.28Å
447	K	78.5	Confident	73.1	Confident	158 Å²	158	83.9 Å²	83.9	69%	0.687	40%	0.401	S	S	*	.	H	α-helix	trans	-50.5	-35.4	178	-172.3	-178.9	174.4	-172.5	0	111.4	L450 E451	K447-L450 PolarHBondContact O-N 2.87Å; K447-E451 WeakPolarHBondContact CE-OE1 3.43Å; K447-E451 WeakPolarHBondContact O-CB 3.44Å; K447-E451 WeakPolarHBondContact O-CG 3.43Å; K447-E451 PolarHBondContact O-N 2.67Å
448	E	81.6	Confident	74.2	Confident	150 Å²	150	82.6 Å²	82.6	70%	0.701	40%	0.398	S	S	*	.	H	α-helix	trans	-65	-45.1	174.7	-63.1	178	-179.1	0	0	113.4	T446 E451 L452	T446-E448 PolarHBondContact O-N 3.39Å; E448-E451 PolarHBondContact O-N 3.35Å; E448-L452 VanDerWaalsContact O-CB 3.29Å; E448-L452 WeakPolarHBondContact O-CB 3.46Å; E448-L452 PolarHBondContact O-N 3.4Å
449	E	85.7	Confident	75.7	Confident	32 Å²	32	87.8 Å²	87.8	15%	0.15	42%	0.42	C	S	.	.	H	α-helix	trans	-65.7	-39.8	174.6	-75.7	166.2	131.9	0	0	111.9	L445 T446 E451 L452 K453 L516 R519	L445-E449 HydrophobicContact CB-CB 3.97Å; L445-E449 HydrophobicContact CD2-CB 3.96Å; L445-E449 HydrophobicContact CD2-CG 4.49Å; L445-E449 HydrophobicContact CG-CB 4.47Å; T446-E449 WeakPolarHBondContact CB-OE2 3.35Å; T446-E449 WeakPolarHBondContact CG2-OE2 3.32Å; T446-E449 PolarHBondContact N-OE2 3.01Å; T446-E449 WeakPolarHBondContact O-CA 3.46Å; T446-E449 PolarHBondContact O-N 3.21Å; T446-E449 WeakPolarHBondContact OG1-CB 3.29Å; T446-E449 WeakPolarHBondContact OG1-CG 3.41Å; T446-E449 PolarHBondContact OG1-N 3.06Å; T446-E449 VanDerWaalsContact OG1-N 3.15Å; T446-E449 PolarHBondContact OG1-OE2 3.22Å; E449-E451 VanDerWaalsContact C-N 3.35Å; E449-L452 WeakPolarHBondContact O-CB 3.23Å; E449-L452 PolarHBondContact O-N 2.93Å; E449-K453 WeakPolarHBondContact O-CB 3.49Å; E449-K453 PolarHBondContact O-N 3.26Å; E449-L516 HydrophobicContact CB-CD2 4.4Å; E449-L516 HydrophobicContact CG-CD2 4.39Å; E449-R519 IonicContact OE1-CZ 2.79Å; E449-R519 VanDerWaalsContact OE1-CZ 3.24Å; E449-R519 IonicContact OE1-NE 2.61Å; E449-R519 PolarHBondContact OE1-NE 3.15Å; E449-R519 VanDerWaalsContact OE1-NE 3.08Å; E449-R519 IonicContact OE1-NH2 3.27Å; E449-R519 PolarHBondContact OE1-NH2 2.82Å; E449-R519 IonicContact OE2-NH2 3.24Å
450	L	79.9	Confident	77.2	Confident	73 Å²	73	84.6 Å²	84.6	38%	0.382	41%	0.407	S	S	.	.	H	α-helix	trans	-64.5	-41.6	176.3	-160.6	85.8	0	0	0	111	L445 T446 K447 L452 K453 K454	L445-L450 HydrophobicContact CB-CD1 4.38Å; L445-L450 HydrophobicContact CD1-CD1 4.26Å; T446-L450 PolarHBondContact O-N 3.28Å; K447-L450 PolarHBondContact O-N 2.87Å; L450-L452 VanDerWaalsContact C-N 3.35Å; L450-K453 PolarHBondContact O-N 3.38Å; L450-K454 WeakPolarHBondContact O-CG 3.14Å; L450-K454 PolarHBondContact O-N 2.65Å; L450-K454 VanDerWaalsContact O-N 3.13Å
451	E	86.1	Confident	78.7	Confident	89 Å²	89	79.1 Å²	79.1	42%	0.416	39%	0.392	S	S	.	.	H	α-helix	trans	-67.8	-34.1	172.6	-77.1	177.8	-169.3	0	0	112.2	K447 E448 E449 R455	K447-E451 WeakPolarHBondContact CE-OE1 3.43Å; K447-E451 WeakPolarHBondContact O-CB 3.44Å; K447-E451 WeakPolarHBondContact O-CG 3.43Å; K447-E451 PolarHBondContact O-N 2.67Å; E448-E451 PolarHBondContact O-N 3.35Å; E449-E451 VanDerWaalsContact C-N 3.35Å; E451-R455 WeakPolarHBondContact O-CB 3.44Å; E451-R455 VanDerWaalsContact O-CG 3.26Å; E451-R455 WeakPolarHBondContact O-CG 2.9Å; E451-R455 PolarHBondContact O-N 3.4Å; E451-R455 PolarHBondContact O-NE 3.36Å; E451-R455 VanDerWaalsContact O-NE 3.17Å
452	L	88.7	Confident	80.3	Confident	74 Å²	74	78.7 Å²	78.7	39%	0.387	39%	0.393	S	S	.	.	H	α-helix	trans	-65.9	-45.9	173.6	-179.7	61.8	0	0	0	111.1	E448 E449 L450 R455 L456	E448-L452 VanDerWaalsContact O-CB 3.29Å; E448-L452 WeakPolarHBondContact O-CB 3.46Å; E448-L452 PolarHBondContact O-N 3.4Å; E449-L452 WeakPolarHBondContact O-CB 3.23Å; E449-L452 PolarHBondContact O-N 2.93Å; L450-L452 VanDerWaalsContact C-N 3.35Å; L452-R455 WeakPolarHBondContact O-CB 3.28Å; L452-R455 PolarHBondContact O-N 2.89Å; L452-R455 VanDerWaalsContact O-N 3.16Å; L452-L456 HydrophobicContact CD1-CD1 4.28Å; L452-L456 HydrophobicContact CD1-CG 4.22Å; L452-L456 HydrophobicContact CG-CD1 4Å; L452-L456 HydrophobicContact CG-CG 4.38Å; L452-L456 WeakPolarHBondContact O-CG 3.25Å; L452-L456 PolarHBondContact O-N 2.96Å
453	K	86.5	Confident	81.9	Confident	28 Å²	28	78.1 Å²	78.1	12%	0.122	39%	0.388	C	S	.	.	H	α-helix	trans	-54	-55.1	175.4	179.3	176.8	174.2	179.6	0	110.8	L445 E449 L450 R455 L456 E457 L516 H517 Q520	L445-K453 HydrophobicContact CD1-CD 4.28Å; E449-K453 WeakPolarHBondContact O-CB 3.49Å; E449-K453 PolarHBondContact O-N 3.26Å; L450-K453 PolarHBondContact O-N 3.38Å; K453-R455 VanDerWaalsContact C-N 3.28Å; K453-R455 PolarHBondContact O-N 3.05Å; K453-L456 PolarHBondContact O-N 3.49Å; K453-E457 WeakPolarHBondContact CE-OE1 3.25Å; K453-E457 HydrophobicContact CG-CG 4.44Å; K453-E457 WeakPolarHBondContact CG-OE1 3.38Å; K453-E457 WeakPolarHBondContact O-CG 3.43Å; K453-E457 PolarHBondContact O-N 3.44Å; K453-L516 HydrophobicContact CB-CD1 3.92Å; K453-H517 VanDerWaalsContact CE-CD2 3.42Å; K453-H517 WeakPolarHBondContact CE-CD2 3.45Å; K453-H517 WeakPolarHBondContact CE-NE2 3.42Å; K453-H517 PolarHBondContact NZ-CD2 3.42Å; K453-H517 PolarHBondContact NZ-NE2 3.36Å; K453-Q520 VanDerWaalsContact NZ-OE1 3.16Å
454	K	85.7	Confident	83.5	Confident	120 Å²	120	76.6 Å²	76.6	52%	0.522	38%	0.383	S	S	.	.	H	α-helix	trans	-56.3	-40.8	177	-71.4	178.7	179.8	-177.8	0	112.6	L450 N458	L450-K454 WeakPolarHBondContact O-CG 3.14Å; L450-K454 PolarHBondContact O-N 2.65Å; L450-K454 VanDerWaalsContact O-N 3.13Å; K454-N458 WeakPolarHBondContact O-CB 3.44Å; K454-N458 VanDerWaalsContact O-CG 3.3Å; K454-N458 PolarHBondContact O-N 3.01Å; K454-N458 VanDerWaalsContact O-N 3.08Å; K454-N458 PolarHBondContact O-ND2 3.31Å
455	R	87.6	Confident	84.6	Confident	137 Å²	137	76.2 Å²	76.2	52%	0.517	38%	0.376	S	S	.	.	H	α-helix	trans	-66.4	-38.1	176.3	-78	-178.5	-70.5	-171.9	-1.4	112.5	E451 L452 K453 K459	E451-R455 WeakPolarHBondContact O-CB 3.44Å; E451-R455 VanDerWaalsContact O-CG 3.26Å; E451-R455 WeakPolarHBondContact O-CG 2.9Å; E451-R455 PolarHBondContact O-N 3.4Å; E451-R455 PolarHBondContact O-NE 3.36Å; E451-R455 VanDerWaalsContact O-NE 3.17Å; L452-R455 WeakPolarHBondContact O-CB 3.28Å; L452-R455 PolarHBondContact O-N 2.89Å; L452-R455 VanDerWaalsContact O-N 3.16Å; K453-R455 VanDerWaalsContact C-N 3.28Å; K453-R455 PolarHBondContact O-N 3.05Å; R455-K459 VanDerWaalsContact O-CG 3.29Å; R455-K459 WeakPolarHBondContact O-CG 3.36Å; R455-K459 PolarHBondContact O-N 3.21Å; R455-K459 VanDerWaalsContact O-N 3.09Å
456	L	89.3	Confident	85.7	Confident	12 Å²	12	82.2 Å²	82.2	6%	0.063	40%	0.402	C	S	.	.	H	α-helix	trans	-70.4	-45	177.5	-71.1	171	0	0	0	111.3	L452 K453 N458 K459 V460 L509 K512 I513 L516	L452-L456 HydrophobicContact CD1-CD1 4.28Å; L452-L456 HydrophobicContact CD1-CG 4.22Å; L452-L456 HydrophobicContact CG-CD1 4Å; L452-L456 HydrophobicContact CG-CG 4.38Å; L452-L456 WeakPolarHBondContact O-CG 3.25Å; L452-L456 PolarHBondContact O-N 2.96Å; K453-L456 PolarHBondContact O-N 3.49Å; L456-N458 VanDerWaalsContact C-N 3.33Å; L456-N458 PolarHBondContact O-N 2.95Å; L456-K459 CarbonylContact O-C 3.56Å; L456-K459 WeakPolarHBondContact O-CB 3.13Å; L456-K459 PolarHBondContact O-N 3.2Å; L456-K459 VanDerWaalsContact O-N 3.09Å; L456-V460 WeakPolarHBondContact O-CG2 3.31Å; L456-V460 PolarHBondContact O-N 3.36Å; L456-L509 HydrophobicContact CD2-CD2 3.8Å; L456-K512 HydrophobicContact CD1-CB 3.8Å; L456-K512 HydrophobicContact CD2-CD 4.47Å; L456-I513 HydrophobicContact CB-CD1 4.06Å; L456-I513 HydrophobicContact CB-CG1 3.64Å; L456-I513 HydrophobicContact CD1-CG1 4.42Å; L456-L516 HydrophobicContact CD1-CD1 4.03Å
457	E	88.7	Confident	86.3	Confident	73 Å²	73	79.6 Å²	79.6	34%	0.341	39%	0.386	S	S	.	.	H	α-helix	trans	-56.1	-47.2	175.6	-72.2	167.8	168.6	0	0	111	K453 K459 V460 A461 I513	K453-E457 WeakPolarHBondContact CE-OE1 3.25Å; K453-E457 HydrophobicContact CG-CG 4.44Å; K453-E457 WeakPolarHBondContact CG-OE1 3.38Å; K453-E457 WeakPolarHBondContact O-CG 3.43Å; K453-E457 PolarHBondContact O-N 3.44Å; E457-K459 PolarHBondContact O-N 2.95Å; E457-V460 PolarHBondContact O-N 3.44Å; E457-A461 WeakPolarHBondContact O-CB 3.29Å; E457-A461 PolarHBondContact O-N 2.77Å; E457-I513 HydrophobicContact CB-CD1 4.41Å; E457-I513 HydrophobicContact CG-CD1 3.86Å; E457-I513 HydrophobicContact CG-CG1 4.4Å; E457-I513 HydrophobicContact CG-CG2 4.37Å
458	N	86.1	Confident	86.8	Confident	102 Å²	102	74.2 Å²	74.2	55%	0.545	36%	0.363	S	S	.	.	H	α-helix	trans	-61	-42.8	174.8	-74.5	-15.3	0	0	0	112.2	K454 L456 A461 E462	K454-N458 WeakPolarHBondContact O-CB 3.44Å; K454-N458 VanDerWaalsContact O-CG 3.3Å; K454-N458 PolarHBondContact O-N 3.01Å; K454-N458 VanDerWaalsContact O-N 3.08Å; K454-N458 PolarHBondContact O-ND2 3.31Å; L456-N458 VanDerWaalsContact C-N 3.33Å; L456-N458 PolarHBondContact O-N 2.95Å; N458-A461 PolarHBondContact O-N 3.01Å; N458-E462 WeakPolarHBondContact O-CB 3.44Å; N458-E462 WeakPolarHBondContact O-CG 3.35Å; N458-E462 PolarHBondContact O-N 3.09Å
459	K	88.4	Confident	87.2	Confident	117 Å²	117	74.4 Å²	74.4	51%	0.509	36%	0.361	S	S	.	.	H	α-helix	trans	-64.8	-38.8	177	-77.4	177.2	179.1	-176	0	112.7	R455 L456 E457 A463 L509	R455-K459 VanDerWaalsContact O-CG 3.29Å; R455-K459 WeakPolarHBondContact O-CG 3.36Å; R455-K459 PolarHBondContact O-N 3.21Å; R455-K459 VanDerWaalsContact O-N 3.09Å; L456-K459 CarbonylContact O-C 3.56Å; L456-K459 WeakPolarHBondContact O-CB 3.13Å; L456-K459 PolarHBondContact O-N 3.2Å; L456-K459 VanDerWaalsContact O-N 3.09Å; E457-K459 PolarHBondContact O-N 2.95Å; K459-A463 WeakPolarHBondContact O-CB 3.19Å; K459-A463 PolarHBondContact O-N 3.4Å; K459-L509 HydrophobicContact CB-CD1 3.96Å
460	V	87.3	Confident	87.5	Confident	17 Å²	17	77.4 Å²	77.4	10%	0.103	38%	0.382	C	S	.	.	H	α-helix	trans	-62.6	-47.8	174.5	169.5	0	0	0	0	110	L456 E457 A463 S464 V506 L509 I513	L456-V460 WeakPolarHBondContact O-CG2 3.31Å; L456-V460 PolarHBondContact O-N 3.36Å; E457-V460 PolarHBondContact O-N 3.44Å; V460-A463 PolarHBondContact O-N 2.81Å; V460-S464 WeakPolarHBondContact O-CB 3.45Å; V460-S464 PolarHBondContact O-N 2.9Å; V460-V506 HydrophobicContact CG1-CB 4.18Å; V460-V506 HydrophobicContact CG1-CG2 4.2Å; V460-L509 HydrophobicContact CG2-CB 3.4Å; V460-L509 HydrophobicContact CG2-CD1 4.18Å; V460-L509 HydrophobicContact CG2-CG 4.44Å; V460-I513 HydrophobicContact CB-CD1 4.32Å; V460-I513 HydrophobicContact CG2-CD1 3.64Å
461	A	84.8	Confident	88.1	Confident	48 Å²	48	80 Å²	80	40%	0.397	39%	0.391	S	S	.	.	H	α-helix	trans	-60.7	-48	178.2	0	0	0	0	0	111.8	E457 N458 S464 I465	E457-A461 WeakPolarHBondContact O-CB 3.29Å; E457-A461 PolarHBondContact O-N 2.77Å; N458-A461 PolarHBondContact O-N 3.01Å; A461-S464 PolarHBondContact O-N 3.36Å; A461-I465 WeakPolarHBondContact O-CB 3.42Å; A461-I465 VanDerWaalsContact O-CG1 3.23Å; A461-I465 WeakPolarHBondContact O-CG1 3.47Å; A461-I465 PolarHBondContact O-N 3.42Å
462	E	86.6	Confident	88.5	Confident	138 Å²	138	75.8 Å²	75.8	65%	0.645	37%	0.371	S	S	*	.	H	α-helix	trans	-60.2	-46.8	177	-76.6	177.8	-177	0	0	112.3	N458 K466	N458-E462 WeakPolarHBondContact O-CB 3.44Å; N458-E462 WeakPolarHBondContact O-CG 3.35Å; N458-E462 PolarHBondContact O-N 3.09Å; E462-K466 WeakPolarHBondContact O-CB 3.45Å; E462-K466 PolarHBondContact O-N 2.77Å
463	A	87.8	Confident	88.6	Confident	32 Å²	32	74 Å²	74	26%	0.264	37%	0.366	S	S	.	.	H	α-helix	trans	-66.5	-41.8	180	0	0	0	0	0	112	K459 V460 K466 C467 V506	K459-A463 WeakPolarHBondContact O-CB 3.19Å; K459-A463 PolarHBondContact O-N 3.4Å; V460-A463 PolarHBondContact O-N 2.81Å; A463-K466 PolarHBondContact O-N 3.45Å; A463-C467 WeakPolarHBondContact O-CB 3.38Å; A463-C467 PolarHBondContact O-N 2.69Å; A463-V506 HydrophobicContact CB-CG1 3.57Å
464	S	88.7	Confident	88.9	Confident	32 Å²	32	78 Å²	78	22%	0.224	39%	0.389	C	S	.	.	H	α-helix	trans	-62	-49.7	175.4	-178.5	0	0	0	0	111.2	V460 A461 K466 C467 Q468	V460-S464 WeakPolarHBondContact O-CB 3.45Å; V460-S464 PolarHBondContact O-N 2.9Å; A461-S464 PolarHBondContact O-N 3.36Å; S464-K466 VanDerWaalsContact C-N 3.35Å; S464-K466 PolarHBondContact O-N 3.03Å; S464-C467 PolarHBondContact O-N 2.89Å; S464-Q468 WeakPolarHBondContact O-CG 2.95Å; S464-Q468 PolarHBondContact O-N 3.18Å
465	I	84.3	Confident	89.3	Confident	85 Å²	85	74.8 Å²	74.8	44%	0.436	38%	0.376	S	S	.	.	H	α-helix	trans	-61.1	-44.1	177.2	-70.3	167.6	0	0	0	110.9	A461 Q468 K469	A461-I465 WeakPolarHBondContact O-CB 3.42Å; A461-I465 VanDerWaalsContact O-CG1 3.23Å; A461-I465 WeakPolarHBondContact O-CG1 3.47Å; A461-I465 PolarHBondContact O-N 3.42Å; I465-Q468 PolarHBondContact O-N 3.42Å; I465-K469 HydrophobicContact CG2-CD 3.95Å; I465-K469 HydrophobicContact CG2-CG 4.36Å; I465-K469 WeakPolarHBondContact O-CB 3.47Å; I465-K469 WeakPolarHBondContact O-CG 2.9Å; I465-K469 PolarHBondContact O-N 3.12Å
466	K	89.9	Confident	89.4	Confident	146 Å²	146	71.8 Å²	71.8	64%	0.635	37%	0.367	S	S	*	.	H	α-helix	trans	-60.5	-48.5	177.7	-176.1	178.4	-179.9	-179.7	0	110.5	E462 A463 S464 Q468 K469 T470	E462-K466 WeakPolarHBondContact O-CB 3.45Å; E462-K466 PolarHBondContact O-N 2.77Å; A463-K466 PolarHBondContact O-N 3.45Å; S464-K466 VanDerWaalsContact C-N 3.35Å; S464-K466 PolarHBondContact O-N 3.03Å; K466-Q468 PolarHBondContact O-N 2.93Å; K466-K469 PolarHBondContact O-N 2.84Å; K466-T470 WeakPolarHBondContact O-CG2 3.36Å; K466-T470 PolarHBondContact O-N 3.39Å; K466-T470 PolarHBondContact O-OG1 3.26Å
467	C	90.7	Very high	89.4	Confident	8 Å²	8	77.3 Å²	77.3	5%	0.054	39%	0.391	C	S	.	.	H	α-helix	trans	-58.6	-46.7	177.3	-176.2	0	0	0	0	111.8	A463 S464 K469 T470 K471 C472 C502	A463-C467 WeakPolarHBondContact O-CB 3.38Å; A463-C467 PolarHBondContact O-N 2.69Å; S464-C467 PolarHBondContact O-N 2.89Å; C467-K469 VanDerWaalsContact C-N 3.32Å; C467-K469 PolarHBondContact O-N 2.82Å; C467-T470 PolarHBondContact O-N 2.98Å; C467-K471 WeakPolarHBondContact O-CA 3.45Å; C467-K471 WeakPolarHBondContact O-CB 3.28Å; C467-K471 PolarHBondContact O-N 2.86Å; C467-C472 PolarHBondContact O-N 3.4Å; C467-C502 HydrophobicContact CB-CB 3.75Å; C467-C502 WeakPolarHBondContact CB-SG 3.41Å; C467-C502 WeakPolarHBondContact SG-CA 3.5Å; C467-C502 WeakPolarHBondContact SG-CB 3.38Å; C467-C502 CovalentContact SG-SG 2.04Å; C467-C502 PolarHBondContact SG-SG 2.87Å
468	Q	88.5	Confident	89.4	Confident	46 Å²	46	77.9 Å²	77.9	22%	0.215	39%	0.393	C	S	.	.	H	α-helix	trans	-62.3	-38.3	177.5	-70.8	-179.8	20.1	0	0	112.7	S464 I465 K466 C472 A473 L499	S464-Q468 WeakPolarHBondContact O-CG 2.95Å; S464-Q468 PolarHBondContact O-N 3.18Å; I465-Q468 PolarHBondContact O-N 3.42Å; K466-Q468 PolarHBondContact O-N 2.93Å; Q468-C472 CarbonylContact O-C 3.35Å; Q468-A473 PolarHBondContact O-N 1.98Å; Q468-L499 HydrophobicContact CG-CD2 3.75Å
469	K	90.3	Very high	89.3	Confident	153 Å²	153	75.4 Å²	75.4	67%	0.665	38%	0.379	S	S	*	.	H	α-helix	trans	-73.5	-24.7	178.5	-77.4	-178.7	178.4	178.9	0	113.6	I465 K466 C467 A473	I465-K469 HydrophobicContact CG2-CD 3.95Å; I465-K469 HydrophobicContact CG2-CG 4.36Å; I465-K469 WeakPolarHBondContact O-CB 3.47Å; I465-K469 WeakPolarHBondContact O-CG 2.9Å; I465-K469 PolarHBondContact O-N 3.12Å; K466-K469 PolarHBondContact O-N 2.84Å; C467-K469 VanDerWaalsContact C-N 3.32Å; C467-K469 PolarHBondContact O-N 2.82Å; K469-A473 WeakPolarHBondContact O-CB 3.35Å
470	T	92.2	Very high	89	Confident	96 Å²	96	77.3 Å²	77.3	59%	0.589	39%	0.387	S	S	*	.	H	α-helix	trans	-104.8	-54	-177.6	60.4	0	0	0	0	112.5	K466 C467	K466-T470 WeakPolarHBondContact O-CG2 3.36Å; K466-T470 PolarHBondContact O-N 3.39Å; K466-T470 PolarHBondContact O-OG1 3.26Å; C467-T470 PolarHBondContact O-N 2.98Å
471	K	92.5	Very high	89	Confident	127 Å²	127	81.9 Å²	81.9	55%	0.552	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-35	-173.6	-65.6	-167.5	-179.1	179.8	0	112.9	C467 Q475	C467-K471 WeakPolarHBondContact O-CA 3.45Å; C467-K471 WeakPolarHBondContact O-CB 3.28Å; C467-K471 PolarHBondContact O-N 2.86Å; K471-Q475 PolarHBondContact O-OE1 3.36Å
472	C	93.1	Very high	88.8	Confident	0 Å²	0	80.7 Å²	80.7	0%	0	40%	0.398	C	S	.	.	S	Bend	trans	-104.2	13.6	-177.8	-50.6	0	0	0	0	113.3	C467 Q468 D474 K476 Y495 C498	C467-C472 PolarHBondContact O-N 3.4Å; Q468-C472 CarbonylContact O-C 3.35Å; C472-D474 VanDerWaalsContact C-N 3.34Å; C472-D474 PolarHBondContact O-N 3.23Å; C472-K476 WeakPolarHBondContact O-CB 3.34Å; C472-K476 PolarHBondContact O-N 3.2Å; C472-Y495 HydrophobicContact CB-CD2 4.32Å; C472-Y495 HydrophobicContact CB-CE2 4.11Å; C472-C498 WeakPolarHBondContact CA-SG 3.26Å; C472-C498 HydrophobicContact CB-CB 3.94Å; C472-C498 WeakPolarHBondContact CB-SG 2.99Å; C472-C498 WeakPolarHBondContact SG-CB 3.48Å; C472-C498 PolarHBondContact SG-O 3.35Å; C472-C498 CovalentContact SG-SG 2.04Å; C472-C498 PolarHBondContact SG-SG 3.16Å
473	A	92.4	Very high	87.7	Confident	36 Å²	36	76.3 Å²	76.3	30%	0.298	39%	0.39	S	S	.	.	H	α-helix	trans	-60.8	-44.7	-175.3	0	0	0	0	0	111.7	Q468 K469 K476 K477	Q468-A473 PolarHBondContact O-N 1.98Å; K469-A473 WeakPolarHBondContact O-CB 3.35Å; A473-K476 PolarHBondContact O-N 3.39Å; A473-K477 WeakPolarHBondContact O-CB 3.48Å; A473-K477 PolarHBondContact O-N 3.14Å
474	D	92.8	Very high	86.5	Confident	112 Å²	112	84.5 Å²	84.5	60%	0.599	42%	0.42	S	S	*	.	H	α-helix	trans	-70.9	-45.3	-176.3	-67	-24.7	0	0	0	111.4	C472 K476 K477 Q478	C472-D474 VanDerWaalsContact C-N 3.34Å; C472-D474 PolarHBondContact O-N 3.23Å; D474-K476 VanDerWaalsContact C-N 3.31Å; D474-K476 PolarHBondContact O-N 3.11Å; D474-K477 PolarHBondContact O-N 2.97Å; D474-Q478 WeakPolarHBondContact O-CB 3.41Å; D474-Q478 VanDerWaalsContact O-CG 3.25Å; D474-Q478 WeakPolarHBondContact O-CG 3.47Å; D474-Q478 PolarHBondContact O-N 2.87Å
475	Q	92.9	Very high	85.2	Confident	53 Å²	53	92 Å²	92	25%	0.248	45%	0.452	C	S	.	.	H	α-helix	trans	-63.6	-40.4	175.9	-63.4	81.8	-3.7	0	0	110.6	K471 K477 Q478 I479 Y495	K471-Q475 PolarHBondContact O-OE1 3.36Å; Q475-K477 VanDerWaalsContact C-N 3.35Å; Q475-K477 PolarHBondContact O-N 2.83Å; Q475-Q478 PolarHBondContact O-N 3.14Å; Q475-I479 WeakPolarHBondContact O-CG1 3.27Å; Q475-I479 PolarHBondContact O-N 3.3Å; Q475-Y495 HydrophobicContact CB-CD2 3.89Å; Q475-Y495 HydrophobicContact CB-CG 4.44Å
476	K	89.2	Confident	84.4	Confident	74 Å²	74	94.9 Å²	94.9	32%	0.322	46%	0.463	S	S	.	.	H	α-helix	trans	-63.7	-40.3	175.1	-171.3	168.2	-172.3	162.5	0	111.9	C472 A473 D474 K480 Y495	C472-K476 WeakPolarHBondContact O-CB 3.34Å; C472-K476 PolarHBondContact O-N 3.2Å; A473-K476 PolarHBondContact O-N 3.39Å; D474-K476 VanDerWaalsContact C-N 3.31Å; D474-K476 PolarHBondContact O-N 3.11Å; K476-K480 WeakPolarHBondContact O-CG 3.32Å; K476-K480 PolarHBondContact O-N 3.1Å; K476-Y495 HydrophobicContact CB-CD2 4.28Å; K476-Y495 HydrophobicContact CB-CE2 3.75Å; K476-Y495 HydrophobicContact CD-CE2 4.44Å; K476-Y495 HydrophobicContact CG-CE2 4.2Å
477	K	89.8	Confident	83.5	Confident	129 Å²	129	93.1 Å²	93.1	56%	0.561	46%	0.46	S	S	*	.	H	α-helix	trans	-65.7	-45.8	174.6	-175.9	179.9	176.3	-173.8	0	110.7	A473 D474 Q475 I479 K480 D481	A473-K477 WeakPolarHBondContact O-CB 3.48Å; A473-K477 PolarHBondContact O-N 3.14Å; D474-K477 PolarHBondContact O-N 2.97Å; Q475-K477 VanDerWaalsContact C-N 3.35Å; Q475-K477 PolarHBondContact O-N 2.83Å; K477-I479 VanDerWaalsContact C-N 3.31Å; K477-I479 PolarHBondContact O-N 2.93Å; K477-K480 WeakPolarHBondContact O-CB 3.41Å; K477-K480 PolarHBondContact O-N 3.46Å; K477-D481 WeakPolarHBondContact O-CB 3.5Å; K477-D481 PolarHBondContact O-N 3.41Å
478	Q	88.5	Confident	83.2	Confident	84 Å²	84	95.6 Å²	95.6	39%	0.393	47%	0.473	S	S	.	.	H	α-helix	trans	-56.6	-44.7	175.8	-73.5	174.8	40.6	0	0	111.4	D474 Q475 D481 L482	D474-Q478 WeakPolarHBondContact O-CB 3.41Å; D474-Q478 VanDerWaalsContact O-CG 3.25Å; D474-Q478 WeakPolarHBondContact O-CG 3.47Å; D474-Q478 PolarHBondContact O-N 2.87Å; Q475-Q478 PolarHBondContact O-N 3.14Å; Q478-D481 PolarHBondContact O-N 3.27Å; Q478-L482 WeakPolarHBondContact O-CG 3.39Å; Q478-L482 PolarHBondContact O-N 3.1Å
479	I	84.4	Confident	82.9	Confident	50 Å²	50	101.3 Å²	101.3	26%	0.256	50%	0.498	S	S	.	.	H	α-helix	trans	-65.2	-38.4	175.2	-71.7	-177.5	0	0	0	112.3	Q475 K477 D481 L482 Y495	Q475-I479 WeakPolarHBondContact O-CG1 3.27Å; Q475-I479 PolarHBondContact O-N 3.3Å; K477-I479 VanDerWaalsContact C-N 3.31Å; K477-I479 PolarHBondContact O-N 2.93Å; I479-D481 VanDerWaalsContact C-N 3.33Å; I479-L482 WeakPolarHBondContact O-CB 3.49Å; I479-L482 PolarHBondContact O-N 2.93Å; I479-Y495 HydrophobicContact CD1-CD1 3.55Å; I479-Y495 HydrophobicContact CD1-CD2 4.4Å; I479-Y495 HydrophobicContact CD1-CE1 4.48Å; I479-Y495 HydrophobicContact CD1-CG 3.48Å; I479-Y495 VanDerWaalsContact CD1-CG 3.48Å
480	K	83	Confident	82.7	Confident	157 Å²	157	102.3 Å²	102.3	68%	0.683	50%	0.502	S	S	*	.	H	α-helix	trans	-66.7	-36	175.9	-79.3	-176.6	173.3	-167.8	0	112.8	K476 K477 L482	K476-K480 WeakPolarHBondContact O-CG 3.32Å; K476-K480 PolarHBondContact O-N 3.1Å; K477-K480 WeakPolarHBondContact O-CB 3.41Å; K477-K480 PolarHBondContact O-N 3.46Å; K480-L482 VanDerWaalsContact C-N 3.31Å
481	D	86.8	Confident	82.3	Confident	113 Å²	113	101.1 Å²	101.1	60%	0.604	49%	0.489	S	S	*	.	H	α-helix	trans	-76.8	-22.6	179.9	-65.5	-14.3	0	0	0	111.2	K477 Q478 I479 G483	K477-D481 WeakPolarHBondContact O-CB 3.5Å; K477-D481 PolarHBondContact O-N 3.41Å; Q478-D481 PolarHBondContact O-N 3.27Å; I479-D481 VanDerWaalsContact C-N 3.33Å; D481-G483 PolarHBondContact O-N 3.36Å
482	L	79.7	Confident	81.9	Confident	24 Å²	24	96.3 Å²	96.3	13%	0.126	47%	0.47	C	S	.	.	S	Bend	trans	-66.8	98.9	161.9	-64.3	175.9	0	0	0	107.9	Q478 I479 K480 F484 Q486 D488 K491	Q478-L482 WeakPolarHBondContact O-CG 3.39Å; Q478-L482 PolarHBondContact O-N 3.1Å; I479-L482 WeakPolarHBondContact O-CB 3.49Å; I479-L482 PolarHBondContact O-N 2.93Å; K480-L482 VanDerWaalsContact C-N 3.31Å; L482-F484 PolarHBondContact O-N 3.46Å; L482-Q486 HydrophobicContact CD2-CB 4.4Å; L482-Q486 WeakPolarHBondContact CD2-O 2.95Å; L482-D488 HydrophobicContact CD1-CB 3.95Å; L482-D488 HydrophobicContact CD2-CB 4.33Å; L482-K491 HydrophobicContact CD1-CB 4.06Å; L482-K491 HydrophobicContact CD1-CD 3.85Å; L482-K491 HydrophobicContact CD2-CD 4.03Å; L482-K491 HydrophobicContact CG-CD 4.16Å
483	G	64.4	Low	81.6	Confident	46 Å²	46	99.9 Å²	99.9	47%	0.474	49%	0.489	S	S	.	.			trans	-50.7	145.6	162.4	0	0	0	0	0	109.4	D481 Q485 Q486	D481-G483 PolarHBondContact O-N 3.36Å; G483-Q485 PolarHBondContact O-N 2.82Å; G483-Q486 PolarHBondContact O-N 3.07Å
484	F	62.2	Low	81.4	Confident	203 Å²	203	100 Å²	100	89%	0.89	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.5	-19.9	-173.5	-89.5	-85.1	0	0	0	115.5	L482	L482-F484 PolarHBondContact O-N 3.46Å
485	Q	61.3	Low	81.3	Confident	190 Å²	190	96.4 Å²	96.4	89%	0.888	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-12.3	178.8	-64.9	-176.6	-12.4	0	0	114.6	G483	G483-Q485 PolarHBondContact O-N 2.82Å
486	Q	67.9	Low	81.2	Confident	145 Å²	145	99.5 Å²	99.5	68%	0.678	48%	0.481	S	S	*	.			trans	-119.6	52.3	-176.9	-64.8	-173.1	-1.7	0	0	111.3	L482 G483 D488	L482-Q486 HydrophobicContact CD2-CB 4.4Å; L482-Q486 WeakPolarHBondContact CD2-O 2.95Å; G483-Q486 PolarHBondContact O-N 3.07Å; Q486-D488 PolarHBondContact O-N 3.02Å
487	L	70.6	Confident	81.3	Confident	110 Å²	110	101.7 Å²	101.7	58%	0.576	49%	0.491	S	S	*	.			trans	-61.1	96.3	173.4	-96.8	150.3	0	0	0	110.3	F489	L487-F489 PolarHBondContact O-N 3.21Å
488	D	83.7	Confident	81.4	Confident	60 Å²	60	96.2 Å²	96.2	32%	0.321	47%	0.469	S	S	.	.			trans	-86.5	100.1	171.1	-178.7	-9.9	0	0	0	108.4	L482 Q486 K490 K491 T492	L482-D488 HydrophobicContact CD1-CB 3.95Å; L482-D488 HydrophobicContact CD2-CB 4.33Å; Q486-D488 PolarHBondContact O-N 3.02Å; D488-K490 PolarHBondContact O-N 3.48Å; D488-K490 VanDerWaalsContact O-N 3.08Å; D488-K490 WeakPolarHBondContact OD1-CB 3.48Å; D488-K490 PolarHBondContact OD1-N 3.23Å; D488-K491 HydrophobicContact CB-CB 4.26Å; D488-K491 HydrophobicContact CB-CD 4.01Å; D488-K491 HydrophobicContact CB-CG 4.21Å; D488-K491 PolarHBondContact O-N 3.01Å; D488-K491 WeakPolarHBondContact OD2-CD 3.4Å; D488-K491 WeakPolarHBondContact OD2-CE 3.46Å; D488-K491 WeakPolarHBondContact OD2-CG 3.41Å; D488-T492 PolarHBondContact O-N 3.41Å; D488-T492 PolarHBondContact O-OG1 2.85Å
489	F	83	Confident	81.4	Confident	166 Å²	166	94 Å²	94	73%	0.728	46%	0.46	S	S	*	.	H	α-helix	trans	-53.4	-29.7	179.6	-72.8	-76.4	0	0	0	113.1	L487 T492 D493	L487-F489 PolarHBondContact O-N 3.21Å; F489-T492 PolarHBondContact O-N 3.15Å; F489-D493 WeakPolarHBondContact O-CB 3.27Å; F489-D493 PolarHBondContact O-N 3.47Å
490	K	85.8	Confident	81.7	Confident	173 Å²	173	96.1 Å²	96.1	75%	0.752	47%	0.471	S	S	*	.	H	α-helix	trans	-68.8	-38.3	177.8	-66.6	-175.8	177	-179.7	0	111.9	D488 A494	D488-K490 PolarHBondContact O-N 3.48Å; D488-K490 VanDerWaalsContact O-N 3.08Å; D488-K490 WeakPolarHBondContact OD1-CB 3.48Å; D488-K490 PolarHBondContact OD1-N 3.23Å; K490-A494 VanDerWaalsContact O-CB 3.31Å; K490-A494 WeakPolarHBondContact O-CB 3.45Å; K490-A494 PolarHBondContact O-N 2.81Å
491	K	85.2	Confident	82	Confident	72 Å²	72	92.4 Å²	92.4	31%	0.313	46%	0.461	S	S	.	.	H	α-helix	trans	-71.8	-38.7	176.5	-70.1	176	-178.7	175.4	0	111.4	L482 D488 A494 Y495	L482-K491 HydrophobicContact CD1-CB 4.06Å; L482-K491 HydrophobicContact CD1-CD 3.85Å; L482-K491 HydrophobicContact CD2-CD 4.03Å; L482-K491 HydrophobicContact CG-CD 4.16Å; D488-K491 HydrophobicContact CB-CB 4.26Å; D488-K491 HydrophobicContact CB-CD 4.01Å; D488-K491 HydrophobicContact CB-CG 4.21Å; D488-K491 PolarHBondContact O-N 3.01Å; D488-K491 WeakPolarHBondContact OD2-CD 3.4Å; D488-K491 WeakPolarHBondContact OD2-CE 3.46Å; D488-K491 WeakPolarHBondContact OD2-CG 3.41Å; K491-A494 PolarHBondContact O-N 3.35Å; K491-Y495 PolarHBondContact O-N 3.48Å
492	T	82.7	Confident	82.1	Confident	26 Å²	26	87.1 Å²	87.1	16%	0.16	43%	0.433	C	S	.	.	H	α-helix	trans	-61.7	-49.8	173.4	-57.7	0	0	0	0	111.5	D488 F489 A494 Y495 F496	D488-T492 PolarHBondContact O-N 3.41Å; D488-T492 PolarHBondContact O-OG1 2.85Å; F489-T492 PolarHBondContact O-N 3.15Å; T492-A494 VanDerWaalsContact C-N 3.33Å; T492-A494 PolarHBondContact O-N 3.3Å; T492-Y495 WeakPolarHBondContact O-CB 3.36Å; T492-Y495 PolarHBondContact O-N 3Å; T492-Y495 VanDerWaalsContact O-N 3.13Å; T492-F496 HydrophobicContact CG2-CD2 3.7Å; T492-F496 HydrophobicContact CG2-CE2 3.4Å; T492-F496 VanDerWaalsContact CG2-CE2 3.4Å; T492-F496 VanDerWaalsContact O-CD2 3.26Å; T492-F496 WeakPolarHBondContact O-CD2 3.42Å; T492-F496 PolarHBondContact O-N 2.83Å
493	D	87	Confident	82.5	Confident	74 Å²	74	93 Å²	93	40%	0.396	46%	0.458	S	S	.	.	H	α-helix	trans	-58.2	-43.1	174.8	178.4	59.3	0	0	0	111.7	F489 Y495 F496 K497	F489-D493 WeakPolarHBondContact O-CB 3.27Å; F489-D493 PolarHBondContact O-N 3.47Å; D493-Y495 VanDerWaalsContact C-N 3.31Å; D493-Y495 PolarHBondContact O-N 3.43Å; D493-F496 PolarHBondContact O-N 3.14Å; D493-K497 WeakPolarHBondContact O-CB 3.33Å; D493-K497 WeakPolarHBondContact O-CG 3.47Å; D493-K497 PolarHBondContact O-N 3.49Å; D493-K497 WeakPolarHBondContact OD1-CE 3.45Å; D493-K497 IonicContact OD1-NZ 3.87Å; D493-K497 VanDerWaalsContact OD2-CE 3.28Å; D493-K497 WeakPolarHBondContact OD2-CE 3.41Å; D493-K497 IonicContact OD2-NZ 2.61Å; D493-K497 PolarHBondContact OD2-NZ 2.82Å
494	A	89.4	Confident	83.6	Confident	40 Å²	40	96.2 Å²	96.2	33%	0.331	46%	0.46	S	S	.	.	H	α-helix	trans	-62.2	-35.9	175.8	0	0	0	0	0	113.2	K490 K491 T492 C498	K490-A494 VanDerWaalsContact O-CB 3.31Å; K490-A494 WeakPolarHBondContact O-CB 3.45Å; K490-A494 PolarHBondContact O-N 2.81Å; K491-A494 PolarHBondContact O-N 3.35Å; T492-A494 VanDerWaalsContact C-N 3.33Å; T492-A494 PolarHBondContact O-N 3.3Å; A494-C498 PolarHBondContact O-N 3.24Å; A494-C498 VanDerWaalsContact O-N 3.12Å
495	Y	90.7	Very high	84.8	Confident	36 Å²	36	89.6 Å²	89.6	14%	0.141	44%	0.44	C	S	.	.	H	α-helix	trans	-70.9	-43.7	174.5	178.6	-114.7	0	0	0	112.1	C472 Q475 K476 I479 K491 T492 D493 C498 L499	C472-Y495 HydrophobicContact CB-CD2 4.32Å; C472-Y495 HydrophobicContact CB-CE2 4.11Å; Q475-Y495 HydrophobicContact CB-CD2 3.89Å; Q475-Y495 HydrophobicContact CB-CG 4.44Å; K476-Y495 HydrophobicContact CB-CD2 4.28Å; K476-Y495 HydrophobicContact CB-CE2 3.75Å; K476-Y495 HydrophobicContact CD-CE2 4.44Å; K476-Y495 HydrophobicContact CG-CE2 4.2Å; I479-Y495 HydrophobicContact CD1-CD1 3.55Å; I479-Y495 HydrophobicContact CD1-CD2 4.4Å; I479-Y495 HydrophobicContact CD1-CE1 4.48Å; I479-Y495 HydrophobicContact CD1-CG 3.48Å; I479-Y495 VanDerWaalsContact CD1-CG 3.48Å; K491-Y495 PolarHBondContact O-N 3.48Å; T492-Y495 WeakPolarHBondContact O-CB 3.36Å; T492-Y495 PolarHBondContact O-N 3Å; T492-Y495 VanDerWaalsContact O-N 3.13Å; D493-Y495 VanDerWaalsContact C-N 3.31Å; D493-Y495 PolarHBondContact O-N 3.43Å; Y495-C498 CarbonylContact O-C 3.55Å; Y495-C498 WeakPolarHBondContact O-CA 3Å; Y495-C498 VanDerWaalsContact O-CB 3.31Å; Y495-C498 WeakPolarHBondContact O-CB 3.49Å; Y495-C498 PolarHBondContact O-N 3.36Å; Y495-L499 HydrophobicContact CD1-CD1 4.05Å; Y495-L499 HydrophobicContact CD1-CG 4.37Å; Y495-L499 HydrophobicContact CE1-CD1 3.57Å; Y495-L499 HydrophobicContact CE1-CD2 4.39Å; Y495-L499 HydrophobicContact CE1-CG 4.04Å; Y495-L499 HydrophobicContact CE2-CD2 4.19Å; Y495-L499 HydrophobicContact CE2-CG 4.34Å; Y495-L499 PolarHBondContact O-N 3.49Å
496	F	89.5	Confident	86.3	Confident	117 Å²	117	81 Å²	81	51%	0.513	40%	0.4	S	S	.	.	H	α-helix	trans	-61.3	-44.7	176.3	-78.2	-62.4	0	0	0	111.7	T492 D493 C498 L499 D500	T492-F496 HydrophobicContact CG2-CD2 3.7Å; T492-F496 HydrophobicContact CG2-CE2 3.4Å; T492-F496 VanDerWaalsContact CG2-CE2 3.4Å; T492-F496 VanDerWaalsContact O-CD2 3.26Å; T492-F496 WeakPolarHBondContact O-CD2 3.42Å; T492-F496 PolarHBondContact O-N 2.83Å; D493-F496 PolarHBondContact O-N 3.14Å; F496-C498 PolarHBondContact O-N 3.43Å; F496-L499 HydrophobicContact CD1-CD1 4.09Å; F496-L499 HydrophobicContact CE1-CD1 4.43Å; F496-L499 CarbonylContact O-C 3.56Å; F496-L499 WeakPolarHBondContact O-CA 3.48Å; F496-L499 WeakPolarHBondContact O-CB 3.14Å; F496-L499 PolarHBondContact O-N 3.17Å; F496-D500 PolarHBondContact O-N 3Å
497	K	92.2	Very high	87.3	Confident	120 Å²	120	79.6 Å²	79.6	52%	0.522	39%	0.391	S	S	.	.	H	α-helix	trans	-56.8	-35.5	171.1	-74.8	171.9	176.5	165.3	0	112.8	D493 D500 V501	D493-K497 WeakPolarHBondContact O-CB 3.33Å; D493-K497 WeakPolarHBondContact O-CG 3.47Å; D493-K497 PolarHBondContact O-N 3.49Å; D493-K497 WeakPolarHBondContact OD1-CE 3.45Å; D493-K497 IonicContact OD1-NZ 3.87Å; D493-K497 VanDerWaalsContact OD2-CE 3.28Å; D493-K497 WeakPolarHBondContact OD2-CE 3.41Å; D493-K497 IonicContact OD2-NZ 2.61Å; D493-K497 PolarHBondContact OD2-NZ 2.82Å; K497-D500 PolarHBondContact O-N 2.84Å; K497-V501 WeakPolarHBondContact O-CG2 3.49Å; K497-V501 PolarHBondContact O-N 2.02Å
498	C	91.1	Very high	88.1	Confident	15 Å²	15	76.9 Å²	76.9	10%	0.101	39%	0.39	C	S	.	.	H	α-helix	trans	-69.6	-38.7	173.6	-168.6	0	0	0	0	112.4	C472 A494 Y495 F496 D500 V501 C502	C472-C498 WeakPolarHBondContact CA-SG 3.26Å; C472-C498 HydrophobicContact CB-CB 3.94Å; C472-C498 WeakPolarHBondContact CB-SG 2.99Å; C472-C498 WeakPolarHBondContact SG-CB 3.48Å; C472-C498 PolarHBondContact SG-O 3.35Å; C472-C498 CovalentContact SG-SG 2.04Å; C472-C498 PolarHBondContact SG-SG 3.16Å; A494-C498 PolarHBondContact O-N 3.24Å; A494-C498 VanDerWaalsContact O-N 3.12Å; Y495-C498 CarbonylContact O-C 3.55Å; Y495-C498 WeakPolarHBondContact O-CA 3Å; Y495-C498 VanDerWaalsContact O-CB 3.31Å; Y495-C498 WeakPolarHBondContact O-CB 3.49Å; Y495-C498 PolarHBondContact O-N 3.36Å; F496-C498 PolarHBondContact O-N 3.43Å; C498-D500 VanDerWaalsContact C-N 3.3Å; C498-D500 PolarHBondContact O-N 3.34Å; C498-V501 WeakPolarHBondContact O-CB 3.36Å; C498-V501 PolarHBondContact O-N 3.08Å; C498-C502 PolarHBondContact O-N 2.94Å
499	L	89.2	Confident	88.3	Confident	38 Å²	38	76.2 Å²	76.2	20%	0.199	39%	0.386	C	S	.	.	H	α-helix	trans	-62.4	-37.4	173.7	-67.7	-178.9	0	0	0	111.8	Q468 Y495 F496 V501 C502 K503	Q468-L499 HydrophobicContact CG-CD2 3.75Å; Y495-L499 HydrophobicContact CD1-CD1 4.05Å; Y495-L499 HydrophobicContact CD1-CG 4.37Å; Y495-L499 HydrophobicContact CE1-CD1 3.57Å; Y495-L499 HydrophobicContact CE1-CD2 4.39Å; Y495-L499 HydrophobicContact CE1-CG 4.04Å; Y495-L499 HydrophobicContact CE2-CD2 4.19Å; Y495-L499 HydrophobicContact CE2-CG 4.34Å; Y495-L499 PolarHBondContact O-N 3.49Å; F496-L499 HydrophobicContact CD1-CD1 4.09Å; F496-L499 HydrophobicContact CE1-CD1 4.43Å; F496-L499 CarbonylContact O-C 3.56Å; F496-L499 WeakPolarHBondContact O-CA 3.48Å; F496-L499 WeakPolarHBondContact O-CB 3.14Å; F496-L499 PolarHBondContact O-N 3.17Å; L499-V501 VanDerWaalsContact C-N 3.34Å; L499-V501 PolarHBondContact O-N 3.45Å; L499-C502 CarbonylContact O-C 3.53Å; L499-C502 WeakPolarHBondContact O-CA 3.43Å; L499-C502 WeakPolarHBondContact O-CB 3.29Å; L499-C502 PolarHBondContact O-N 2.87Å; L499-K503 PolarHBondContact O-N 2.89Å
500	D	90.4	Very high	88.6	Confident	94 Å²	94	71.7 Å²	71.7	50%	0.503	37%	0.367	S	S	.	.	H	α-helix	trans	-61.2	-43.2	174.1	-65.1	-30.8	0	0	0	111.5	F496 K497 C498 C502 K503 E504	F496-D500 PolarHBondContact O-N 3Å; K497-D500 PolarHBondContact O-N 2.84Å; C498-D500 VanDerWaalsContact C-N 3.3Å; C498-D500 PolarHBondContact O-N 3.34Å; D500-C502 PolarHBondContact O-N 3.41Å; D500-K503 WeakPolarHBondContact O-CB 3.28Å; D500-K503 PolarHBondContact O-N 2.92Å; D500-K503 VanDerWaalsContact O-N 3.1Å; D500-E504 PolarHBondContact O-N 3.37Å
501	V	89.7	Confident	88.6	Confident	78 Å²	78	66 Å²	66	47%	0.473	35%	0.352	S	S	.	.	H	α-helix	trans	-60.2	-35.9	172.7	174.4	0	0	0	0	111.5	K497 C498 L499 S505	K497-V501 WeakPolarHBondContact O-CG2 3.49Å; K497-V501 PolarHBondContact O-N 2.02Å; C498-V501 WeakPolarHBondContact O-CB 3.36Å; C498-V501 PolarHBondContact O-N 3.08Å; L499-V501 VanDerWaalsContact C-N 3.34Å; L499-V501 PolarHBondContact O-N 3.45Å; V501-S505 PolarHBondContact O-N 2.89Å
502	C	89.4	Confident	88.8	Confident	2 Å²	2	68.1 Å²	68.1	1%	0.014	36%	0.362	C	S	.	.	H	α-helix	trans	-71.2	-36.8	174	-70.7	0	0	0	0	113	C467 C498 L499 D500 E504 S505 V506	C467-C502 HydrophobicContact CB-CB 3.75Å; C467-C502 WeakPolarHBondContact CB-SG 3.41Å; C467-C502 WeakPolarHBondContact SG-CA 3.5Å; C467-C502 WeakPolarHBondContact SG-CB 3.38Å; C467-C502 CovalentContact SG-SG 2.04Å; C467-C502 PolarHBondContact SG-SG 2.87Å; C498-C502 PolarHBondContact O-N 2.94Å; L499-C502 CarbonylContact O-C 3.53Å; L499-C502 WeakPolarHBondContact O-CA 3.43Å; L499-C502 WeakPolarHBondContact O-CB 3.29Å; L499-C502 PolarHBondContact O-N 2.87Å; D500-C502 PolarHBondContact O-N 3.41Å; C502-E504 VanDerWaalsContact C-N 3.33Å; C502-S505 WeakPolarHBondContact O-CB 3.31Å; C502-S505 PolarHBondContact O-N 3.18Å; C502-S505 VanDerWaalsContact O-N 3.14Å; C502-S505 PolarHBondContact O-OG 2.9Å; C502-V506 PolarHBondContact O-N 2.93Å
503	K	87.5	Confident	88.8	Confident	149 Å²	149	67.2 Å²	67.2	65%	0.648	36%	0.356	S	S	*	.	H	α-helix	trans	-60.8	-44.3	173.8	-167.7	177.8	179	-178.3	0	110.4	L499 D500 S505 V506 K507	L499-K503 PolarHBondContact O-N 2.89Å; D500-K503 WeakPolarHBondContact O-CB 3.28Å; D500-K503 PolarHBondContact O-N 2.92Å; D500-K503 VanDerWaalsContact O-N 3.1Å; K503-S505 VanDerWaalsContact C-N 3.26Å; K503-S505 PolarHBondContact O-N 3.23Å; K503-V506 VanDerWaalsContact O-CG2 3.25Å; K503-V506 WeakPolarHBondContact O-CG2 3.14Å; K503-V506 PolarHBondContact O-N 3.35Å; K503-V506 VanDerWaalsContact O-N 3.12Å; K503-K507 PolarHBondContact O-N 3.25Å; K503-K507 VanDerWaalsContact O-N 3.07Å
504	E	88.2	Confident	88.6	Confident	112 Å²	112	67.2 Å²	67.2	52%	0.523	36%	0.356	S	S	.	.	H	α-helix	trans	-60.5	-33.9	174.7	-73.8	-61.4	135	0	0	112.6	D500 C502 V506 K507	D500-E504 PolarHBondContact O-N 3.37Å; C502-E504 VanDerWaalsContact C-N 3.33Å; E504-V506 VanDerWaalsContact C-N 3.25Å; E504-V506 PolarHBondContact O-N 3.46Å; E504-K507 WeakPolarHBondContact O-CB 3.39Å; E504-K507 PolarHBondContact O-N 2.87Å; E504-K507 IonicContact OE1-NZ 3.61Å; E504-K507 PolarHBondContact OE1-NZ 2.91Å; E504-K507 WeakPolarHBondContact OE2-CD 3.08Å; E504-K507 IonicContact OE2-NZ 2.68Å; E504-K507 PolarHBondContact OE2-NZ 3.27Å; E504-K507 VanDerWaalsContact OE2-NZ 3.11Å
505	S	87	Confident	88.2	Confident	65 Å²	65	72 Å²	72	46%	0.455	37%	0.372	S	S	.	.	H	α-helix	trans	-68.6	-21.3	178.3	78.6	0	0	0	0	114.6	V501 C502 K503	V501-S505 PolarHBondContact O-N 2.89Å; C502-S505 WeakPolarHBondContact O-CB 3.31Å; C502-S505 PolarHBondContact O-N 3.18Å; C502-S505 VanDerWaalsContact O-N 3.14Å; C502-S505 PolarHBondContact O-OG 2.9Å; K503-S505 VanDerWaalsContact C-N 3.26Å; K503-S505 PolarHBondContact O-N 3.23Å
506	V	91.2	Very high	87.7	Confident	9 Å²	9	71.1 Å²	71.1	6%	0.055	37%	0.369	C	S	.	.	H	α-helix	trans	-107.1	-3.6	178	-60.8	0	0	0	0	113.1	V460 A463 C502 K503 E504 G508 L509 Q510	V460-V506 HydrophobicContact CG1-CB 4.18Å; V460-V506 HydrophobicContact CG1-CG2 4.2Å; A463-V506 HydrophobicContact CB-CG1 3.57Å; C502-V506 PolarHBondContact O-N 2.93Å; K503-V506 VanDerWaalsContact O-CG2 3.25Å; K503-V506 WeakPolarHBondContact O-CG2 3.14Å; K503-V506 PolarHBondContact O-N 3.35Å; K503-V506 VanDerWaalsContact O-N 3.12Å; E504-V506 VanDerWaalsContact C-N 3.25Å; E504-V506 PolarHBondContact O-N 3.46Å; V506-G508 VanDerWaalsContact C-N 3.28Å; V506-G508 PolarHBondContact O-N 2.84Å; V506-L509 WeakPolarHBondContact O-CA 3.06Å; V506-L509 WeakPolarHBondContact O-CB 3.38Å; V506-L509 PolarHBondContact O-N 3.49Å; V506-Q510 PolarHBondContact O-N 3.2Å
507	K	88.7	Confident	87.1	Confident	115 Å²	115	69.8 Å²	69.8	50%	0.5	36%	0.364	S	S	.	.	H	α-helix	trans	-51.8	-42.3	-175.6	-171	172.3	-172	166.1	0	113.6	K503 E504 L509 Q510 A511	K503-K507 PolarHBondContact O-N 3.25Å; K503-K507 VanDerWaalsContact O-N 3.07Å; E504-K507 WeakPolarHBondContact O-CB 3.39Å; E504-K507 PolarHBondContact O-N 2.87Å; E504-K507 IonicContact OE1-NZ 3.61Å; E504-K507 PolarHBondContact OE1-NZ 2.91Å; E504-K507 WeakPolarHBondContact OE2-CD 3.08Å; E504-K507 IonicContact OE2-NZ 2.68Å; E504-K507 PolarHBondContact OE2-NZ 3.27Å; E504-K507 VanDerWaalsContact OE2-NZ 3.11Å; K507-L509 VanDerWaalsContact C-N 3.33Å; K507-L509 PolarHBondContact O-N 2.69Å; K507-Q510 PolarHBondContact O-N 3.46Å; K507-A511 WeakPolarHBondContact O-CB 3.46Å; K507-A511 PolarHBondContact O-N 2.81Å
508	G	89.3	Confident	85.9	Confident	53 Å²	53	68 Å²	68	55%	0.546	37%	0.367	S	S	.	.	H	α-helix	trans	-68.6	-27.5	178	0	0	0	0	0	114.5	V506	V506-G508 VanDerWaalsContact C-N 3.28Å; V506-G508 PolarHBondContact O-N 2.84Å
509	L	87.6	Confident	84.9	Confident	46 Å²	46	72.9 Å²	72.9	24%	0.241	38%	0.383	C	S	.	.	H	α-helix	trans	-80.7	-41.3	172.4	-69	173.1	0	0	0	110.8	L456 K459 V460 V506 K507 K512 I513	L456-L509 HydrophobicContact CD2-CD2 3.8Å; K459-L509 HydrophobicContact CB-CD1 3.96Å; V460-L509 HydrophobicContact CG2-CB 3.4Å; V460-L509 HydrophobicContact CG2-CD1 4.18Å; V460-L509 HydrophobicContact CG2-CG 4.44Å; V506-L509 WeakPolarHBondContact O-CA 3.06Å; V506-L509 WeakPolarHBondContact O-CB 3.38Å; V506-L509 PolarHBondContact O-N 3.49Å; K507-L509 VanDerWaalsContact C-N 3.33Å; K507-L509 PolarHBondContact O-N 2.69Å; L509-K512 WeakPolarHBondContact O-CB 3.45Å; L509-K512 PolarHBondContact O-N 2.94Å; L509-K512 VanDerWaalsContact O-N 3.15Å; L509-I513 PolarHBondContact O-N 3.1Å; L509-I513 VanDerWaalsContact O-N 3.17Å
510	Q	88.1	Confident	84.3	Confident	71 Å²	71	74.5 Å²	74.5	33%	0.332	39%	0.39	S	S	.	.	H	α-helix	trans	-60.2	-46.2	177.1	-169.7	59.2	50.1	0	0	110.9	V506 K507 K512 I513 D514	V506-Q510 PolarHBondContact O-N 3.2Å; K507-Q510 PolarHBondContact O-N 3.46Å; Q510-K512 PolarHBondContact O-N 2.93Å; Q510-K512 VanDerWaalsContact O-N 3.1Å; Q510-I513 CarbonylContact O-C 3.55Å; Q510-I513 WeakPolarHBondContact O-CA 3.13Å; Q510-I513 WeakPolarHBondContact O-CB 3.48Å; Q510-I513 PolarHBondContact O-N 3.31Å; Q510-D514 PolarHBondContact NE2-OD1 2.04Å; Q510-D514 PolarHBondContact O-N 3.37Å
511	A	87.6	Confident	83.1	Confident	53 Å²	53	74.3 Å²	74.3	44%	0.438	39%	0.386	S	S	.	.	H	α-helix	trans	-55.4	-33	175.7	0	0	0	0	0	113.3	K507 Q515	K507-A511 WeakPolarHBondContact O-CB 3.46Å; K507-A511 PolarHBondContact O-N 2.81Å; A511-Q515 WeakPolarHBondContact O-CB 3.19Å; A511-Q515 PolarHBondContact O-N 3.46Å
512	K	87.4	Confident	81.6	Confident	117 Å²	117	73 Å²	73	51%	0.509	37%	0.372	S	S	.	.	H	α-helix	trans	-73.8	-35.6	174.7	-68.2	-179.6	-179.3	-174.2	0	112.6	L456 L509 Q510 L516	L456-K512 HydrophobicContact CD1-CB 3.8Å; L456-K512 HydrophobicContact CD2-CD 4.47Å; L509-K512 WeakPolarHBondContact O-CB 3.45Å; L509-K512 PolarHBondContact O-N 2.94Å; L509-K512 VanDerWaalsContact O-N 3.15Å; Q510-K512 PolarHBondContact O-N 2.93Å; Q510-K512 VanDerWaalsContact O-N 3.1Å; K512-L516 WeakPolarHBondContact O-CG 3.47Å; K512-L516 PolarHBondContact O-N 3.13Å
513	I	84.5	Confident	80.1	Confident	8 Å²	8	75.3 Å²	75.3	4%	0.041	38%	0.381	C	S	.	.	H	α-helix	trans	-66.2	-45.8	172.9	-63.3	169.1	0	0	0	109.2	L456 E457 V460 L509 Q510 Q515 L516 H517	L456-I513 HydrophobicContact CB-CD1 4.06Å; L456-I513 HydrophobicContact CB-CG1 3.64Å; L456-I513 HydrophobicContact CD1-CG1 4.42Å; E457-I513 HydrophobicContact CB-CD1 4.41Å; E457-I513 HydrophobicContact CG-CD1 3.86Å; E457-I513 HydrophobicContact CG-CG1 4.4Å; E457-I513 HydrophobicContact CG-CG2 4.37Å; V460-I513 HydrophobicContact CB-CD1 4.32Å; V460-I513 HydrophobicContact CG2-CD1 3.64Å; L509-I513 PolarHBondContact O-N 3.1Å; L509-I513 VanDerWaalsContact O-N 3.17Å; Q510-I513 CarbonylContact O-C 3.55Å; Q510-I513 WeakPolarHBondContact O-CA 3.13Å; Q510-I513 WeakPolarHBondContact O-CB 3.48Å; Q510-I513 PolarHBondContact O-N 3.31Å; I513-Q515 VanDerWaalsContact C-N 3.3Å; I513-Q515 PolarHBondContact O-N 3.07Å; I513-L516 CarbonylContact O-C 3.57Å; I513-L516 WeakPolarHBondContact O-CA 3.07Å; I513-L516 WeakPolarHBondContact O-CB 3.42Å; I513-L516 PolarHBondContact O-N 3.25Å; I513-H517 PolarHBondContact O-N 2.87Å
514	D	82	Confident	78.7	Confident	74 Å²	74	72.1 Å²	72.1	40%	0.396	37%	0.37	S	S	.	.	H	α-helix	trans	-60.3	-42.4	178.8	-57.8	-20.3	0	0	0	110.1	Q510 L516 H517 S518	Q510-D514 PolarHBondContact NE2-OD1 2.04Å; Q510-D514 PolarHBondContact O-N 3.37Å; D514-L516 VanDerWaalsContact C-N 3.34Å; D514-L516 PolarHBondContact O-N 2.86Å; D514-H517 CarbonylContact O-C 3.6Å; D514-H517 WeakPolarHBondContact O-CA 3.04Å; D514-H517 WeakPolarHBondContact O-CB 3.38Å; D514-H517 PolarHBondContact O-N 2.67Å; D514-H517 VanDerWaalsContact O-N 3.12Å; D514-S518 PolarHBondContact O-N 3.39Å; D514-S518 PolarHBondContact O-OG 3.03Å
515	Q	80.1	Confident	76.9	Confident	140 Å²	140	70.3 Å²	70.3	65%	0.654	36%	0.364	S	S	*	.	H	α-helix	trans	-59.7	-41.1	173.4	-169.5	-179.3	16	0	0	112.7	A511 I513 R519	A511-Q515 WeakPolarHBondContact O-CB 3.19Å; A511-Q515 PolarHBondContact O-N 3.46Å; I513-Q515 VanDerWaalsContact C-N 3.3Å; I513-Q515 PolarHBondContact O-N 3.07Å; Q515-R519 VanDerWaalsContact O-CB 3.28Å; Q515-R519 WeakPolarHBondContact O-CB 3.23Å; Q515-R519 PolarHBondContact O-N 2.9Å
516	L	80.2	Confident	75	Confident	18 Å²	18	69.9 Å²	69.9	9%	0.094	36%	0.356	C	S	.	.	H	α-helix	trans	-68.4	-35.4	174.9	-68.4	169.8	0	0	0	111.8	L445 E449 K453 L456 K512 I513 D514 Q520	L445-L516 HydrophobicContact CD2-CD2 4.22Å; E449-L516 HydrophobicContact CB-CD2 4.4Å; E449-L516 HydrophobicContact CG-CD2 4.39Å; K453-L516 HydrophobicContact CB-CD1 3.92Å; L456-L516 HydrophobicContact CD1-CD1 4.03Å; K512-L516 WeakPolarHBondContact O-CG 3.47Å; K512-L516 PolarHBondContact O-N 3.13Å; I513-L516 CarbonylContact O-C 3.57Å; I513-L516 WeakPolarHBondContact O-CA 3.07Å; I513-L516 WeakPolarHBondContact O-CB 3.42Å; I513-L516 PolarHBondContact O-N 3.25Å; D514-L516 VanDerWaalsContact C-N 3.34Å; D514-L516 PolarHBondContact O-N 2.86Å; L516-Q520 WeakPolarHBondContact O-CB 3.19Å; L516-Q520 PolarHBondContact O-N 3.42Å
517	H	77.6	Confident	73	Confident	89 Å²	89	73.5 Å²	73.5	41%	0.412	37%	0.373	S	S	.	.	H	α-helix	trans	-67.1	-51.4	174.8	-100.4	-131.2	0	0	0	112	K453 I513 D514 R519 Q520 Q521	K453-H517 VanDerWaalsContact CE-CD2 3.42Å; K453-H517 WeakPolarHBondContact CE-CD2 3.45Å; K453-H517 WeakPolarHBondContact CE-NE2 3.42Å; K453-H517 PolarHBondContact NZ-CD2 3.42Å; K453-H517 PolarHBondContact NZ-NE2 3.36Å; I513-H517 PolarHBondContact O-N 2.87Å; D514-H517 CarbonylContact O-C 3.6Å; D514-H517 WeakPolarHBondContact O-CA 3.04Å; D514-H517 WeakPolarHBondContact O-CB 3.38Å; D514-H517 PolarHBondContact O-N 2.67Å; D514-H517 VanDerWaalsContact O-N 3.12Å; H517-R519 PolarHBondContact O-N 3.48Å; H517-Q520 CarbonylContact O-C 3.6Å; H517-Q520 WeakPolarHBondContact O-CA 3.4Å; H517-Q520 WeakPolarHBondContact O-CB 3.36Å; H517-Q520 PolarHBondContact O-N 3.09Å; H517-Q521 WeakPolarHBondContact O-CB 3.45Å; H517-Q521 PolarHBondContact O-N 2.04Å
518	S	68.2	Low	70.9	Confident	81 Å²	81	70.7 Å²	70.7	57%	0.566	37%	0.368	S	S	*	.	H	α-helix	trans	-56.9	-41.3	176.3	-62.9	0	0	0	0	110.8	D514 Q521 Y522	D514-S518 PolarHBondContact O-N 3.39Å; D514-S518 PolarHBondContact O-OG 3.03Å; S518-Q521 PolarHBondContact O-N 2.92Å; S518-Y522 WeakPolarHBondContact O-CB 3.32Å; S518-Y522 PolarHBondContact O-N 3.11Å
519	R	68.9	Low	68.6	Low	118 Å²	118	73 Å²	73	45%	0.445	37%	0.366	S	S	.	.	H	α-helix	trans	-63.6	-44.7	174.2	-174.1	169.3	152.3	115.8	-8.3	111.7	E449 Q515 H517 W523	E449-R519 IonicContact OE1-CZ 2.79Å; E449-R519 VanDerWaalsContact OE1-CZ 3.24Å; E449-R519 IonicContact OE1-NE 2.61Å; E449-R519 PolarHBondContact OE1-NE 3.15Å; E449-R519 VanDerWaalsContact OE1-NE 3.08Å; E449-R519 IonicContact OE1-NH2 3.27Å; E449-R519 PolarHBondContact OE1-NH2 2.82Å; E449-R519 IonicContact OE2-NH2 3.24Å; Q515-R519 VanDerWaalsContact O-CB 3.28Å; Q515-R519 WeakPolarHBondContact O-CB 3.23Å; Q515-R519 PolarHBondContact O-N 2.9Å; H517-R519 PolarHBondContact O-N 3.48Å; R519-W523 PolarHBondContact O-N 3.28Å
520	Q	75.9	Confident	66.6	Low	72 Å²	72	76.2 Å²	76.2	34%	0.336	38%	0.378	S	S	.	.	H	α-helix	trans	-62.1	-44.4	175.7	-175.7	178.8	-6.2	0	0	112.1	L445 K453 L516 H517 W523 I524	L445-Q520 HydrophobicContact CD1-CB 4.42Å; K453-Q520 VanDerWaalsContact NZ-OE1 3.16Å; L516-Q520 WeakPolarHBondContact O-CB 3.19Å; L516-Q520 PolarHBondContact O-N 3.42Å; H517-Q520 CarbonylContact O-C 3.6Å; H517-Q520 WeakPolarHBondContact O-CA 3.4Å; H517-Q520 WeakPolarHBondContact O-CB 3.36Å; H517-Q520 PolarHBondContact O-N 3.09Å; Q520-W523 PolarHBondContact O-N 3.33Å; Q520-I524 HydrophobicContact CG-CD1 4.33Å; Q520-I524 WeakPolarHBondContact O-CG1 3.2Å; Q520-I524 PolarHBondContact O-N 3.31Å; Q520-I524 VanDerWaalsContact O-N 3.1Å
521	Q	65.7	Low	64.6	Low	90 Å²	90	78.4 Å²	78.4	42%	0.421	39%	0.392	S	S	.	.	H	α-helix	trans	-68	-41.4	-179.7	-170	61.6	42.7	0	0	111.7	H517 S518 W523 I524 N525	H517-Q521 WeakPolarHBondContact O-CB 3.45Å; H517-Q521 PolarHBondContact O-N 2.04Å; S518-Q521 PolarHBondContact O-N 2.92Å; Q521-W523 VanDerWaalsContact C-N 3.25Å; Q521-W523 PolarHBondContact O-N 3.47Å; Q521-I524 WeakPolarHBondContact O-CB 3.41Å; Q521-I524 PolarHBondContact O-N 3.44Å; Q521-N525 PolarHBondContact NE2-OD1 3.49Å; Q521-N525 VanDerWaalsContact O-CG 3.29Å; Q521-N525 PolarHBondContact O-N 3.34Å; Q521-N525 PolarHBondContact O-OD1 3Å
522	Y	58.1	Low	62.4	Low	50 Å²	50	82.3 Å²	82.3	20%	0.196	40%	0.402	C	S	.	.	H	α-helix	trans	-54.2	-44.2	172.6	175.1	-100.8	0	0	0	111.2	L395 D399 S518 I524 N525 L526	L395-Y522 HydrophobicContact CD2-CE2 4.43Å; L395-Y522 HydrophobicContact CG-CE2 4.25Å; D399-Y522 PolarHBondContact OD1-OH 2.79Å; D399-Y522 WeakPolarHBondContact OD2-CE2 3.37Å; D399-Y522 PolarHBondContact OD2-OH 2.92Å; S518-Y522 WeakPolarHBondContact O-CB 3.32Å; S518-Y522 PolarHBondContact O-N 3.11Å; Y522-I524 PolarHBondContact O-N 2.79Å; Y522-N525 PolarHBondContact O-N 2.86Å; Y522-L526 WeakPolarHBondContact O-CB 3.41Å; Y522-L526 PolarHBondContact O-N 3.35Å
523	W	58.7	Low	60	Low	51 Å²	51	79.2 Å²	79.2	19%	0.193	39%	0.389	C	S	.	.	H	α-helix	trans	-66.4	-35.6	175.5	-72.2	118.5	0	0	0	113.8	A402 L443 R519 Q520 Q521 L526 H527	A402-W523 HydrophobicContact CB-CH2 4.24Å; L443-W523 HydrophobicContact CD2-CE3 4.19Å; R519-W523 PolarHBondContact O-N 3.28Å; Q520-W523 PolarHBondContact O-N 3.33Å; Q521-W523 VanDerWaalsContact C-N 3.25Å; Q521-W523 PolarHBondContact O-N 3.47Å; W523-L526 HydrophobicContact CE3-CD2 3.82Å; W523-L526 HydrophobicContact CZ3-CD2 3.68Å; W523-H527 PolarHBondContact O-N 3.37Å; W523-H527 VanDerWaalsContact O-N 3.11Å
524	I	57.9	Low	57.9	Low	82 Å²	82	81.5 Å²	81.5	42%	0.421	41%	0.406	S	S	.	.	H	α-helix	trans	-66.1	-47.1	174.9	-68.4	167	0	0	0	110.2	Q520 Q521 Y522 L526 H527 S528	Q520-I524 HydrophobicContact CG-CD1 4.33Å; Q520-I524 WeakPolarHBondContact O-CG1 3.2Å; Q520-I524 PolarHBondContact O-N 3.31Å; Q520-I524 VanDerWaalsContact O-N 3.1Å; Q521-I524 WeakPolarHBondContact O-CB 3.41Å; Q521-I524 PolarHBondContact O-N 3.44Å; Y522-I524 PolarHBondContact O-N 2.79Å; I524-L526 VanDerWaalsContact C-N 3.32Å; I524-L526 PolarHBondContact O-N 3.28Å; I524-H527 CarbonylContact O-C 3.57Å; I524-H527 WeakPolarHBondContact O-CA 3.29Å; I524-H527 VanDerWaalsContact O-CB 3.27Å; I524-H527 WeakPolarHBondContact O-CB 3.38Å; I524-H527 PolarHBondContact O-N 3.13Å; I524-S528 PolarHBondContact O-N 2.96Å
525	N	50.3	Low	55.9	Low	75 Å²	75	85 Å²	85	40%	0.401	42%	0.424	S	S	.	.	H	α-helix	trans	-61.9	-42.6	178.7	-67.7	1.8	0	0	0	110.8	Q521 Y522 H527 S528 I529	Q521-N525 PolarHBondContact NE2-OD1 3.49Å; Q521-N525 VanDerWaalsContact O-CG 3.29Å; Q521-N525 PolarHBondContact O-N 3.34Å; Q521-N525 PolarHBondContact O-OD1 3Å; Y522-N525 PolarHBondContact O-N 2.86Å; N525-H527 PolarHBondContact O-N 2.89Å; N525-S528 PolarHBondContact O-N 2.96Å; N525-S528 VanDerWaalsContact O-N 3.1Å; N525-I529 VanDerWaalsContact O-CG1 3.3Å; N525-I529 WeakPolarHBondContact O-CG1 3.45Å; N525-I529 PolarHBondContact O-N 3.43Å
526	L	46.9	Very low	53.8	Low	55 Å²	55	85.5 Å²	85.5	29%	0.288	43%	0.426	S	S	.	.	H	α-helix	trans	-59	-34.7	173.7	-159.8	80.1	0	0	0	111.9	D399 Y522 W523 I524 K530	D399-L526 WeakPolarHBondContact OD1-CD1 3.48Å; Y522-L526 WeakPolarHBondContact O-CB 3.41Å; Y522-L526 PolarHBondContact O-N 3.35Å; W523-L526 HydrophobicContact CE3-CD2 3.82Å; W523-L526 HydrophobicContact CZ3-CD2 3.68Å; I524-L526 VanDerWaalsContact C-N 3.32Å; I524-L526 PolarHBondContact O-N 3.28Å; L526-K530 WeakPolarHBondContact O-CB 3.43Å; L526-K530 PolarHBondContact O-N 3.31Å
527	H	48.7	Very low	52	Low	85 Å²	85	89.7 Å²	89.7	39%	0.394	45%	0.445	S	S	.	.	H	α-helix	trans	-70.3	-42.9	174.1	-157.2	-62	0	0	0	111.8	W523 I524 N525 K530 D531	W523-H527 PolarHBondContact O-N 3.37Å; W523-H527 VanDerWaalsContact O-N 3.11Å; I524-H527 CarbonylContact O-C 3.57Å; I524-H527 WeakPolarHBondContact O-CA 3.29Å; I524-H527 VanDerWaalsContact O-CB 3.27Å; I524-H527 WeakPolarHBondContact O-CB 3.38Å; I524-H527 PolarHBondContact O-N 3.13Å; N525-H527 PolarHBondContact O-N 2.89Å; H527-K530 PolarHBondContact O-N 3.48Å; H527-D531 VanDerWaalsContact CE1-CG 3.43Å; H527-D531 IonicContact CE1-OD1 2.84Å; H527-D531 PolarHBondContact CE1-OD1 2.98Å; H527-D531 VanDerWaalsContact CE1-OD1 3.29Å; H527-D531 IonicContact CE1-OD2 2.74Å; H527-D531 PolarHBondContact CE1-OD2 3.39Å; H527-D531 VanDerWaalsContact ND1-CG 3.3Å; H527-D531 IonicContact ND1-OD1 3.38Å; H527-D531 PolarHBondContact ND1-OD1 3.46Å; H527-D531 IonicContact ND1-OD2 3.41Å; H527-D531 PolarHBondContact ND1-OD2 3.26Å; H527-D531 PolarHBondContact O-N 3.35Å
528	S	46	Very low	50.1	Low	57 Å²	57	87.3 Å²	87.3	40%	0.399	44%	0.441	S	S	.	.	H	α-helix	trans	-63.5	-48.7	179.7	-154.4	0	0	0	0	111.5	I524 N525 K530 D531 E532	I524-S528 PolarHBondContact O-N 2.96Å; N525-S528 PolarHBondContact O-N 2.96Å; N525-S528 VanDerWaalsContact O-N 3.1Å; S528-K530 PolarHBondContact O-N 2.96Å; S528-D531 PolarHBondContact O-N 3.01Å; S528-E532 WeakPolarHBondContact O-CG 3.32Å; S528-E532 PolarHBondContact O-N 3.22Å
529	I	39.9	Very low	48.7	Very low	100 Å²	100	88.2 Å²	88.2	51%	0.513	44%	0.439	S	S	.	.	H	α-helix	trans	-57.7	-38.3	175.6	-65.8	166.2	0	0	0	110.2	N525 M533	N525-I529 VanDerWaalsContact O-CG1 3.3Å; N525-I529 WeakPolarHBondContact O-CG1 3.45Å; N525-I529 PolarHBondContact O-N 3.43Å; I529-M533 HydrophobicContact CG2-SD 3.87Å; I529-M533 WeakPolarHBondContact O-CB 3.38Å; I529-M533 WeakPolarHBondContact O-CG 3.34Å; I529-M533 PolarHBondContact O-N 3.23Å
530	K	45.2	Very low	47.3	Very low	114 Å²	114	85.4 Å²	85.4	50%	0.496	43%	0.432	S	S	.	.	H	α-helix	trans	-79.3	-33.4	-177.1	-173.5	174.4	-172	159.8	0	114.7	L526 H527 S528 E532 M533	L526-K530 WeakPolarHBondContact O-CB 3.43Å; L526-K530 PolarHBondContact O-N 3.31Å; H527-K530 PolarHBondContact O-N 3.48Å; S528-K530 PolarHBondContact O-N 2.96Å; K530-E532 VanDerWaalsContact C-N 3.29Å; K530-M533 PolarHBondContact O-N 3.2Å; K530-M533 VanDerWaalsContact O-O 3.11Å
531	D	46.5	Very low	45.6	Very low	117 Å²	117	87.9 Å²	87.9	63%	0.626	44%	0.44	S	S	*	.	H	α-helix	trans	-70.7	-30.6	175.3	-77.8	-15.4	0	0	0	111.2	H527 S528	H527-D531 VanDerWaalsContact CE1-CG 3.43Å; H527-D531 IonicContact CE1-OD1 2.84Å; H527-D531 PolarHBondContact CE1-OD1 2.98Å; H527-D531 VanDerWaalsContact CE1-OD1 3.29Å; H527-D531 IonicContact CE1-OD2 2.74Å; H527-D531 PolarHBondContact CE1-OD2 3.39Å; H527-D531 VanDerWaalsContact ND1-CG 3.3Å; H527-D531 IonicContact ND1-OD1 3.38Å; H527-D531 PolarHBondContact ND1-OD1 3.46Å; H527-D531 IonicContact ND1-OD2 3.41Å; H527-D531 PolarHBondContact ND1-OD2 3.26Å; H527-D531 PolarHBondContact O-N 3.35Å; S528-D531 PolarHBondContact O-N 3.01Å
532	E	42.6	Very low	44.1	Very low	136 Å²	136	90 Å²	90	64%	0.636	44%	0.444	S	S	*	.	H	α-helix	trans	-79.7	-29.8	174.1	-68	-177.4	180	0	0	112.6	S528 K530 S534	S528-E532 WeakPolarHBondContact O-CG 3.32Å; S528-E532 PolarHBondContact O-N 3.22Å; K530-E532 VanDerWaalsContact C-N 3.29Å; E532-S534 PolarHBondContact O-N 3.25Å; E532-S534 VanDerWaalsContact O-N 3.12Å
533	M	36.1	Very low	43.4	Very low	51 Å²	51	89.4 Å²	89.4	25%	0.251	45%	0.446	S	S	.	.	S	Bend	trans	-75.3	101.4	172.3	-77.1	177	71.7	0	0	111.3	I529 K530 H537 Y541	I529-M533 HydrophobicContact CG2-SD 3.87Å; I529-M533 WeakPolarHBondContact O-CB 3.38Å; I529-M533 WeakPolarHBondContact O-CG 3.34Å; I529-M533 PolarHBondContact O-N 3.23Å; K530-M533 PolarHBondContact O-N 3.2Å; K530-M533 VanDerWaalsContact O-O 3.11Å; M533-H537 HydrophobicContact CB-CB 4.09Å; M533-H537 HydrophobicContact CE-CB 3.93Å; M533-H537 HydrophobicContact CG-CB 4.24Å; M533-Y541 HydrophobicContact CE-CD2 3.61Å; M533-Y541 HydrophobicContact CE-CE2 4.35Å; M533-Y541 HydrophobicContact CE-CG 4Å
534	S	41.7	Very low	42.4	Very low	57 Å²	57	92.1 Å²	92.1	40%	0.399	46%	0.46	S	S	.	.			trans	-45.6	148.8	170.1	79.2	0	0	0	0	111.6	E532 Q536 H537 A538	E532-S534 PolarHBondContact O-N 3.25Å; E532-S534 VanDerWaalsContact O-N 3.12Å; S534-Q536 CarbonylContact O-C 3.6Å; S534-Q536 PolarHBondContact O-N 3.49Å; S534-H537 WeakPolarHBondContact O-CA 3.45Å; S534-H537 PolarHBondContact O-N 3.13Å; S534-H537 PolarHBondContact OG-N 3.49Å; S534-A538 PolarHBondContact O-N 2.74Å
535	L	38.2	Very low	41.5	Very low	147 Å²	147	90.2 Å²	90.2	77%	0.77	45%	0.451	S	S	*	.	H	α-helix	trans	-49.8	-27.2	178.6	-159.4	89.2	0	0	0	112.8	L539	L535-L539 WeakPolarHBondContact O-CB 3.38Å; L535-L539 WeakPolarHBondContact O-CD1 3.49Å; L535-L539 WeakPolarHBondContact O-CG 3.44Å; L535-L539 PolarHBondContact O-N 3.13Å
536	Q	37.7	Very low	40.6	Very low	150 Å²	150	91.6 Å²	91.6	70%	0.701	46%	0.455	S	S	*	.	H	α-helix	trans	-67.6	-47.6	171.7	-102.9	-177.9	-14.9	0	0	113.1	S534 A538 L539 I540	S534-Q536 CarbonylContact O-C 3.6Å; S534-Q536 PolarHBondContact O-N 3.49Å; Q536-A538 VanDerWaalsContact C-N 3.34Å; Q536-L539 PolarHBondContact O-N 3.04Å; Q536-I540 VanDerWaalsContact O-CG1 3.25Å; Q536-I540 WeakPolarHBondContact O-CG1 3.35Å; Q536-I540 PolarHBondContact O-N 3.3Å
537	H	40.8	Very low	40.4	Very low	106 Å²	106	93.7 Å²	93.7	49%	0.491	47%	0.466	S	S	.	.	H	α-helix	trans	-63.1	-40.3	173.6	-83.2	118.7	0	0	0	111.7	M533 S534 L539 I540 Y541	M533-H537 HydrophobicContact CB-CB 4.09Å; M533-H537 HydrophobicContact CE-CB 3.93Å; M533-H537 HydrophobicContact CG-CB 4.24Å; S534-H537 WeakPolarHBondContact O-CA 3.45Å; S534-H537 PolarHBondContact O-N 3.13Å; S534-H537 PolarHBondContact OG-N 3.49Å; H537-L539 VanDerWaalsContact C-N 3.3Å; H537-L539 PolarHBondContact O-N 3.22Å; H537-I540 PolarHBondContact O-N 2.92Å; H537-I540 VanDerWaalsContact O-N 3.16Å; H537-Y541 WeakPolarHBondContact O-CB 3.49Å; H537-Y541 PolarHBondContact O-N 2.83Å
538	A	38.3	Very low	39.8	Very low	39 Å²	39	95.4 Å²	95.4	32%	0.322	48%	0.478	S	S	.	.	H	α-helix	trans	-62.4	-36.1	174.8	0	0	0	0	0	112.7	S534 Q536 W542	S534-A538 PolarHBondContact O-N 2.74Å; Q536-A538 VanDerWaalsContact C-N 3.34Å; A538-W542 VanDerWaalsContact O-CB 3.31Å; A538-W542 WeakPolarHBondContact O-CB 3.43Å; A538-W542 PolarHBondContact O-N 2.88Å
539	L	38.7	Very low	39.1	Very low	101 Å²	101	96 Å²	96	53%	0.529	48%	0.479	S	S	.	.	H	α-helix	trans	-71	-36.2	173.3	-83.9	163	0	0	0	112.4	L535 Q536 H537 W542 V543	L535-L539 WeakPolarHBondContact O-CB 3.38Å; L535-L539 WeakPolarHBondContact O-CD1 3.49Å; L535-L539 WeakPolarHBondContact O-CG 3.44Å; L535-L539 PolarHBondContact O-N 3.13Å; Q536-L539 PolarHBondContact O-N 3.04Å; H537-L539 VanDerWaalsContact C-N 3.3Å; H537-L539 PolarHBondContact O-N 3.22Å; L539-W542 PolarHBondContact O-N 3.44Å; L539-V543 WeakPolarHBondContact O-CG2 3.47Å; L539-V543 PolarHBondContact O-N 3.22Å; L539-V543 VanDerWaalsContact O-N 3.09Å
540	I	40.7	Very low	38.8	Very low	59 Å²	59	97.7 Å²	97.7	30%	0.303	49%	0.494	S	S	.	.	H	α-helix	trans	-64.2	-47.7	174.3	-70.1	162.9	0	0	0	109.9	F323 Q536 H537 W542 V543 E544	F323-I540 HydrophobicContact CE1-CG1 4.28Å; F323-I540 HydrophobicContact CE1-CG2 3.99Å; F323-I540 HydrophobicContact CZ-CG1 4.46Å; Q536-I540 VanDerWaalsContact O-CG1 3.25Å; Q536-I540 WeakPolarHBondContact O-CG1 3.35Å; Q536-I540 PolarHBondContact O-N 3.3Å; H537-I540 PolarHBondContact O-N 2.92Å; H537-I540 VanDerWaalsContact O-N 3.16Å; I540-W542 VanDerWaalsContact C-N 3.28Å; I540-W542 PolarHBondContact O-N 2.94Å; I540-V543 PolarHBondContact O-N 3.34Å; I540-V543 VanDerWaalsContact O-N 3.11Å; I540-E544 WeakPolarHBondContact O-CG 3.06Å; I540-E544 PolarHBondContact O-N 3.29Å
541	Y	38.3	Very low	38.4	Very low	124 Å²	124	103.7 Å²	103.7	49%	0.486	52%	0.52	S	S	.	.	H	α-helix	trans	-61.8	-35.2	175.6	-135.4	-88.3	0	0	0	112.5	M533 H537 V543 E544 I545	M533-Y541 HydrophobicContact CE-CD2 3.61Å; M533-Y541 HydrophobicContact CE-CE2 4.35Å; M533-Y541 HydrophobicContact CE-CG 4Å; H537-Y541 WeakPolarHBondContact O-CB 3.49Å; H537-Y541 PolarHBondContact O-N 2.83Å; Y541-V543 VanDerWaalsContact C-N 3.33Å; Y541-E544 PolarHBondContact O-N 3.46Å; Y541-I545 HydrophobicContact CD1-CD1 3.95Å; Y541-I545 HydrophobicContact CE1-CD1 4.27Å; Y541-I545 WeakPolarHBondContact O-CG1 3.1Å; Y541-I545 PolarHBondContact O-N 3.44Å
542	W	36	Very low	38	Very low	133 Å²	133	103 Å²	103	50%	0.504	52%	0.515	S	S	.	.	H	α-helix	trans	-67.1	-34.8	175.9	-161.8	79.4	0	0	0	112.4	A538 L539 I540	A538-W542 VanDerWaalsContact O-CB 3.31Å; A538-W542 WeakPolarHBondContact O-CB 3.43Å; A538-W542 PolarHBondContact O-N 2.88Å; L539-W542 PolarHBondContact O-N 3.44Å; I540-W542 VanDerWaalsContact C-N 3.28Å; I540-W542 PolarHBondContact O-N 2.94Å
543	V	41.7	Very low	37.7	Very low	39 Å²	39	101.3 Å²	101.3	24%	0.236	51%	0.509	C	S	.	.	H	α-helix	trans	-75.3	-31.5	173.7	176.9	0	0	0	0	111.3	F323 L539 I540 Y541 I545 E546	F323-V543 HydrophobicContact CD2-CG1 4.05Å; F323-V543 HydrophobicContact CE2-CB 4.27Å; F323-V543 HydrophobicContact CE2-CG1 3.62Å; F323-V543 HydrophobicContact CZ-CG1 4.39Å; L539-V543 WeakPolarHBondContact O-CG2 3.47Å; L539-V543 PolarHBondContact O-N 3.22Å; L539-V543 VanDerWaalsContact O-N 3.09Å; I540-V543 PolarHBondContact O-N 3.34Å; I540-V543 VanDerWaalsContact O-N 3.11Å; Y541-V543 VanDerWaalsContact C-N 3.33Å; V543-I545 VanDerWaalsContact C-N 3.27Å; V543-I545 PolarHBondContact O-N 3.1Å; V543-E546 PolarHBondContact O-N 3.36Å
544	E	38.9	Very low	37.8	Very low	108 Å²	108	104.1 Å²	104.1	51%	0.505	52%	0.523	S	S	.	.	H	α-helix	trans	-62.1	-31.6	174.8	-75.1	173.2	167.8	0	0	113	I540 Y541	I540-E544 WeakPolarHBondContact O-CG 3.06Å; I540-E544 PolarHBondContact O-N 3.29Å; Y541-E544 PolarHBondContact O-N 3.46Å
545	I	37.9	Very low	37.6	Very low	42 Å²	42	106.8 Å²	106.8	22%	0.215	53%	0.53	C	S	.	.	H	α-helix	trans	-89.6	-20.6	-177.2	-60.8	168.7	0	0	0	113	R400 Y541 V543 N547 D548	R400-I545 HydrophobicContact CG-CD1 4.46Å; Y541-I545 HydrophobicContact CD1-CD1 3.95Å; Y541-I545 HydrophobicContact CE1-CD1 4.27Å; Y541-I545 WeakPolarHBondContact O-CG1 3.1Å; Y541-I545 PolarHBondContact O-N 3.44Å; V543-I545 VanDerWaalsContact C-N 3.27Å; V543-I545 PolarHBondContact O-N 3.1Å; I545-N547 PolarHBondContact O-N 3.5Å; I545-N547 VanDerWaalsContact O-N 3.13Å; I545-D548 PolarHBondContact O-N 3.27Å
546	E	32.4	Very low	37.6	Very low	104 Å²	104	104.3 Å²	104.3	49%	0.486	52%	0.515	S	S	.	.	H	α-helix	trans	-62.4	-25.1	-176.5	-164.6	171.6	-169.4	0	0	112.6	V543	V543-E546 PolarHBondContact O-N 3.36Å
547	N	42.2	Very low	37.5	Very low	98 Å²	98	101.3 Å²	101.3	52%	0.524	50%	0.503	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-11.2	-175.5	-72.8	-39.2	0	0	0	115.7	D320 I545	D320-N547 PolarHBondContact OD1-ND2 2.85Å; D320-N547 VanDerWaalsContact OD1-ND2 3.15Å; I545-N547 PolarHBondContact O-N 3.5Å; I545-N547 VanDerWaalsContact O-N 3.13Å
548	D	37	Very low	37.3	Very low	121 Å²	121	100.9 Å²	100.9	65%	0.647	50%	0.504	S	S	*	.	S	Bend	trans	-82.7	-6.2	171	-81.5	-8.7	0	0	0	112.2	R400 I545 V550	R400-D548 IonicContact NH1-OD2 3.18Å; I545-D548 PolarHBondContact O-N 3.27Å; D548-V550 PolarHBondContact O-N 3.27Å
549	V	30.9	Very low	37.2	Very low	71 Å²	71	105.7 Å²	105.7	43%	0.43	52%	0.518	S	S	.	.			trans	-97.6	80.5	174.7	-169.4	0	0	0	0	109.3	F551	V549-F551 HydrophobicContact CG1-CD2 4.02Å; V549-F551 HydrophobicContact CG1-CE2 3.79Å; V549-F551 HydrophobicContact CG1-CZ 4.11Å; V549-F551 PolarHBondContact O-N 2.89Å
550	V	33.5	Very low	37.1	Very low	135 Å²	135	106.1 Å²	106.1	82%	0.818	52%	0.517	S	S	*	.			trans	-72.8	110.1	158	178.7	0	0	0	0	107.1	D548	D548-V550 PolarHBondContact O-N 3.27Å
551	F	35.9	Very low	36.8	Very low	239 Å²	239	110.4 Å²	110.4	100%	1.048	54%	0.536	S	S	*	.			trans	-69.7	0	166.6	-81.4	-79.4	0	0	0	112.2	V549	V549-F551 HydrophobicContact CG1-CD2 4.02Å; V549-F551 HydrophobicContact CG1-CE2 3.79Å; V549-F551 HydrophobicContact CG1-CZ 4.11Å; V549-F551 PolarHBondContact O-N 2.89Å

Retrieved 551 of 551 residues in 1261.6 ms (Link to these results)

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