A0A3Q0KKB5_SCHMA Loading...

Sh3-containing grb2-like protein 1 (Endophilin II)

AlphaFold DB , UniProt , Accession A0A3Q0KKB5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 353 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	41.4	Very low	50.2	Low	182 Å²	182	85.2 Å²	85.2	90%	0.897	45%	0.449	S	S	*	.				0	121.1	0	-79.8	-81.9	-112.5	0	0	107.5	T5	M1-T5 HydrophobicContact CE-CG2 4.49Å; M1-T5 HydrophobicContact SD-CG2 4.14Å
2	S	42.8	Very low	50	Low	68 Å²	68	92.2 Å²	92.2	48%	0.476	47%	0.465	S	S	.	.			trans	-64.3	140.7	178.4	173.8	0	0	0	0	109.6	S4 T5 I6	S2-S4 PolarHBondContact O-N 3.34Å; S2-S4 PolarHBondContact OG-N 3.02Å; S2-S4 PolarHBondContact OG-OG 2.8Å; S2-T5 VanDerWaalsContact O-CA 3.24Å; S2-T5 WeakPolarHBondContact O-CA 3.39Å; S2-T5 WeakPolarHBondContact O-CB 3.36Å; S2-T5 PolarHBondContact O-N 2.67Å; S2-T5 PolarHBondContact O-OG1 3.25Å; S2-I6 PolarHBondContact O-N 3.33Å
3	F	49	Very low	49.9	Very low	118 Å²	118	85.7 Å²	85.7	52%	0.518	43%	0.433	S	S	.	.	H	α-helix	trans	-59.7	-29.3	176.8	-71.8	-82.2	0	0	0	112.7	T5 I6 K7	F3-T5 PolarHBondContact O-N 2.88Å; F3-I6 HydrophobicContact CD1-CD1 4.48Å; F3-I6 PolarHBondContact O-N 3.03Å; F3-I6 VanDerWaalsContact O-N 3.09Å; F3-K7 PolarHBondContact O-N 2.95Å
4	S	51.7	Low	49.8	Very low	62 Å²	62	85.1 Å²	85.1	43%	0.434	43%	0.432	S	S	.	.	H	α-helix	trans	-58.7	-34.4	168.9	70.3	0	0	0	0	111.5	S2 K8	S2-S4 PolarHBondContact O-N 3.34Å; S2-S4 PolarHBondContact OG-N 3.02Å; S2-S4 PolarHBondContact OG-OG 2.8Å; S4-K8 WeakPolarHBondContact O-CB 3.46Å; S4-K8 WeakPolarHBondContact O-CG 3.45Å; S4-K8 PolarHBondContact O-N 2.76Å
5	T	48.2	Very low	49.8	Very low	54 Å²	54	87.1 Å²	87.1	33%	0.331	44%	0.439	S	S	.	.	H	α-helix	trans	-67.8	-44.2	173.3	-43.9	0	0	0	0	110.6	M1 S2 F3 H9	M1-T5 HydrophobicContact CE-CG2 4.49Å; M1-T5 HydrophobicContact SD-CG2 4.14Å; S2-T5 VanDerWaalsContact O-CA 3.24Å; S2-T5 WeakPolarHBondContact O-CA 3.39Å; S2-T5 WeakPolarHBondContact O-CB 3.36Å; S2-T5 PolarHBondContact O-N 2.67Å; S2-T5 PolarHBondContact O-OG1 3.25Å; F3-T5 PolarHBondContact O-N 2.88Å; T5-H9 WeakPolarHBondContact O-CA 3.27Å; T5-H9 VanDerWaalsContact O-CB 3.23Å; T5-H9 WeakPolarHBondContact O-CB 3.37Å; T5-H9 PolarHBondContact O-N 3.2Å
6	I	51.8	Low	49.3	Very low	53 Å²	53	88.3 Å²	88.3	27%	0.272	44%	0.441	S	S	.	.	H	α-helix	trans	-67	-45.2	178.4	-62.8	173.7	0	0	0	111.1	S2 F3 H9 I10	S2-I6 PolarHBondContact O-N 3.33Å; F3-I6 HydrophobicContact CD1-CD1 4.48Å; F3-I6 PolarHBondContact O-N 3.03Å; F3-I6 VanDerWaalsContact O-N 3.09Å; I6-H9 CarbonylContact O-C 3.59Å; I6-H9 WeakPolarHBondContact O-CA 3.35Å; I6-H9 VanDerWaalsContact O-CB 3.27Å; I6-H9 WeakPolarHBondContact O-CB 3.25Å; I6-H9 PolarHBondContact O-N 2.82Å; I6-H9 VanDerWaalsContact O-N 3.07Å; I6-I10 HydrophobicContact CG2-CD1 3.75Å; I6-I10 HydrophobicContact CG2-CG1 4.24Å; I6-I10 VanDerWaalsContact O-CG1 3.3Å; I6-I10 WeakPolarHBondContact O-CG1 3.33Å; I6-I10 PolarHBondContact O-N 2.71Å
7	K	53.6	Low	49	Very low	105 Å²	105	86.1 Å²	86.1	46%	0.457	43%	0.43	S	S	.	.	H	α-helix	trans	-62.1	-45.9	175.1	-75.4	-165	-174.5	-160.6	0	112.2	F3 H9 I10 A11 D209	F3-K7 PolarHBondContact O-N 2.95Å; K7-H9 PolarHBondContact O-N 3.43Å; K7-I10 PolarHBondContact O-N 3.02Å; K7-A11 WeakPolarHBondContact O-CB 3.16Å; K7-A11 PolarHBondContact O-N 2.78Å; K7-D209 WeakPolarHBondContact CE-OD1 3.25Å; K7-D209 IonicContact NZ-OD1 3.57Å; K7-D209 PolarHBondContact NZ-OD1 2.88Å
8	K	55.1	Low	48.8	Very low	142 Å²	142	87.2 Å²	87.2	62%	0.617	45%	0.448	S	S	*	.	H	α-helix	trans	-62.6	-32.8	172.6	-73.8	176	-179.4	180	0	111.1	S4 R12	S4-K8 WeakPolarHBondContact O-CB 3.46Å; S4-K8 WeakPolarHBondContact O-CG 3.45Å; S4-K8 PolarHBondContact O-N 2.76Å; K8-R12 VanDerWaalsContact O-CB 3.3Å; K8-R12 WeakPolarHBondContact O-CB 3.32Å; K8-R12 VanDerWaalsContact O-CG 3.27Å; K8-R12 WeakPolarHBondContact O-CG 3.38Å; K8-R12 PolarHBondContact O-N 3.06Å
9	H	48.9	Very low	48.4	Very low	79 Å²	79	89.4 Å²	89.4	37%	0.366	46%	0.456	S	S	.	.	H	α-helix	trans	-65.5	-52.3	172.6	-127.4	70.8	0	0	0	110.2	T5 I6 K7 A11 R12 C13 D32	T5-H9 WeakPolarHBondContact O-CA 3.27Å; T5-H9 VanDerWaalsContact O-CB 3.23Å; T5-H9 WeakPolarHBondContact O-CB 3.37Å; T5-H9 PolarHBondContact O-N 3.2Å; I6-H9 CarbonylContact O-C 3.59Å; I6-H9 WeakPolarHBondContact O-CA 3.35Å; I6-H9 VanDerWaalsContact O-CB 3.27Å; I6-H9 WeakPolarHBondContact O-CB 3.25Å; I6-H9 PolarHBondContact O-N 2.82Å; I6-H9 VanDerWaalsContact O-N 3.07Å; K7-H9 PolarHBondContact O-N 3.43Å; H9-A11 PolarHBondContact O-N 3.05Å; H9-R12 CarbonylContact O-C 3.55Å; H9-R12 VanDerWaalsContact O-C 3.27Å; H9-R12 VanDerWaalsContact O-CA 3.27Å; H9-R12 WeakPolarHBondContact O-CA 3.48Å; H9-R12 VanDerWaalsContact O-CB 3.25Å; H9-R12 WeakPolarHBondContact O-CB 3.25Å; H9-R12 PolarHBondContact O-N 3.15Å; H9-C13 PolarHBondContact O-N 2.92Å; H9-C13 PolarHBondContact O-SG 3.15Å; H9-D32 IonicContact CD2-OD1 2.85Å; H9-D32 PolarHBondContact CD2-OD1 2.87Å; H9-D32 VanDerWaalsContact CD2-OD1 3.26Å; H9-D32 IonicContact NE2-OD1 3.14Å
10	I	53.5	Low	47.8	Very low	11 Å²	11	90.7 Å²	90.7	6%	0.056	46%	0.458	C	S	.	.	H	α-helix	trans	-62	-41.4	-179	-64.7	162.7	0	0	0	111.5	I6 K7 R12 C13 N14 L36 L208	I6-I10 HydrophobicContact CG2-CD1 3.75Å; I6-I10 HydrophobicContact CG2-CG1 4.24Å; I6-I10 VanDerWaalsContact O-CG1 3.3Å; I6-I10 WeakPolarHBondContact O-CG1 3.33Å; I6-I10 PolarHBondContact O-N 2.71Å; K7-I10 PolarHBondContact O-N 3.02Å; I10-R12 VanDerWaalsContact C-N 3.32Å; I10-R12 PolarHBondContact O-N 3.38Å; I10-C13 CarbonylContact O-C 3.47Å; I10-C13 WeakPolarHBondContact O-CA 3.49Å; I10-C13 VanDerWaalsContact O-CB 3.27Å; I10-C13 WeakPolarHBondContact O-CB 3.32Å; I10-C13 PolarHBondContact O-N 3.41Å; I10-N14 PolarHBondContact O-N 3.01Å; I10-L36 HydrophobicContact CD1-CD2 3.82Å; I10-L36 HydrophobicContact CG1-CD2 4.34Å; I10-L208 HydrophobicContact CD1-CD1 4.26Å
11	A	56.5	Low	47.5	Very low	63 Å²	63	90.6 Å²	90.6	52%	0.521	46%	0.458	S	S	.	.	H	α-helix	trans	-61.5	-43	172.9	0	0	0	0	0	110.9	K7 H9 C13 N14 Q15	K7-A11 WeakPolarHBondContact O-CB 3.16Å; K7-A11 PolarHBondContact O-N 2.78Å; H9-A11 PolarHBondContact O-N 3.05Å; A11-C13 VanDerWaalsContact C-N 3.3Å; A11-C13 PolarHBondContact O-N 2.84Å; A11-N14 PolarHBondContact O-N 3.34Å; A11-Q15 PolarHBondContact O-N 3.04Å; A11-Q15 VanDerWaalsContact O-N 3.16Å
12	R	47.4	Very low	47.4	Very low	169 Å²	169	85.8 Å²	85.8	64%	0.638	46%	0.455	S	S	*	.	H	α-helix	trans	-64.1	-30.8	168.9	-78	176.2	-179.3	175.2	-0.2	112.5	K8 H9 I10 Q15 F16	K8-R12 VanDerWaalsContact O-CB 3.3Å; K8-R12 WeakPolarHBondContact O-CB 3.32Å; K8-R12 VanDerWaalsContact O-CG 3.27Å; K8-R12 WeakPolarHBondContact O-CG 3.38Å; K8-R12 PolarHBondContact O-N 3.06Å; H9-R12 CarbonylContact O-C 3.55Å; H9-R12 VanDerWaalsContact O-C 3.27Å; H9-R12 VanDerWaalsContact O-CA 3.27Å; H9-R12 WeakPolarHBondContact O-CA 3.48Å; H9-R12 VanDerWaalsContact O-CB 3.25Å; H9-R12 WeakPolarHBondContact O-CB 3.25Å; H9-R12 PolarHBondContact O-N 3.15Å; I10-R12 VanDerWaalsContact C-N 3.32Å; I10-R12 PolarHBondContact O-N 3.38Å; R12-Q15 PolarHBondContact O-N 3.35Å; R12-F16 WeakPolarHBondContact O-CA 3.25Å; R12-F16 WeakPolarHBondContact O-CB 3.33Å; R12-F16 PolarHBondContact O-N 2.85Å
13	C	48.7	Very low	47.2	Very low	8 Å²	8	85.2 Å²	85.2	5%	0.054	46%	0.455	C	S	.	.	H	α-helix	trans	-69.8	-41.3	177.3	-59.6	0	0	0	0	110.6	H9 I10 A11 Q15 F16 L17 D32	H9-C13 PolarHBondContact O-N 2.92Å; H9-C13 PolarHBondContact O-SG 3.15Å; I10-C13 CarbonylContact O-C 3.47Å; I10-C13 WeakPolarHBondContact O-CA 3.49Å; I10-C13 VanDerWaalsContact O-CB 3.27Å; I10-C13 WeakPolarHBondContact O-CB 3.32Å; I10-C13 PolarHBondContact O-N 3.41Å; A11-C13 VanDerWaalsContact C-N 3.3Å; A11-C13 PolarHBondContact O-N 2.84Å; C13-Q15 VanDerWaalsContact C-N 3.3Å; C13-F16 PolarHBondContact O-N 3.34Å; C13-L17 HydrophobicContact CB-CD1 4.49Å; C13-L17 WeakPolarHBondContact O-CA 3.48Å; C13-L17 WeakPolarHBondContact O-CB 3.17Å; C13-L17 WeakPolarHBondContact O-CD1 3.5Å; C13-L17 WeakPolarHBondContact O-CG 3.4Å; C13-L17 PolarHBondContact O-N 3.08Å; C13-D32 HydrophobicContact CB-CB 4.35Å; C13-D32 WeakPolarHBondContact SG-CB 3.36Å; C13-D32 PolarHBondContact SG-OD2 3.02Å
14	N	48.4	Very low	46.3	Very low	77 Å²	77	85.4 Å²	85.4	41%	0.412	47%	0.466	S	S	.	.	H	α-helix	trans	-62.3	-42.7	173.9	-76.7	-14.2	0	0	0	110.4	I10 A11 S18	I10-N14 PolarHBondContact O-N 3.01Å; A11-N14 PolarHBondContact O-N 3.34Å; N14-S18 WeakPolarHBondContact O-CB 3.36Å; N14-S18 PolarHBondContact O-N 3.17Å
15	Q	50.3	Low	45.6	Very low	115 Å²	115	92.5 Å²	92.5	54%	0.537	49%	0.489	S	S	.	.	H	α-helix	trans	-65.1	-44.7	174.9	-170.3	175.7	0.2	0	0	112.1	A11 R12 C13 S18 E19	A11-Q15 PolarHBondContact O-N 3.04Å; A11-Q15 VanDerWaalsContact O-N 3.16Å; R12-Q15 PolarHBondContact O-N 3.35Å; C13-Q15 VanDerWaalsContact C-N 3.3Å; Q15-S18 WeakPolarHBondContact O-CB 3.31Å; Q15-S18 PolarHBondContact O-N 3.26Å; Q15-E19 WeakPolarHBondContact CG-OE1 3.43Å; Q15-E19 PolarHBondContact NE2-OE1 2.84Å; Q15-E19 WeakPolarHBondContact O-CB 3.46Å; Q15-E19 WeakPolarHBondContact O-CG 3.32Å; Q15-E19 PolarHBondContact O-N 3.49Å
16	F	42.1	Very low	45.3	Very low	107 Å²	107	92.6 Å²	92.6	47%	0.469	50%	0.501	S	S	.	.	H	α-helix	trans	-76.3	-34.6	-175.8	-168.5	-95.5	0	0	0	113	R12 C13 S18 E19 K20	R12-F16 WeakPolarHBondContact O-CA 3.25Å; R12-F16 WeakPolarHBondContact O-CB 3.33Å; R12-F16 PolarHBondContact O-N 2.85Å; C13-F16 PolarHBondContact O-N 3.34Å; F16-S18 VanDerWaalsContact C-N 3.3Å; F16-E19 PolarHBondContact O-N 2.93Å; F16-K20 HydrophobicContact CD1-CB 4.24Å; F16-K20 HydrophobicContact CD2-CG 4.47Å; F16-K20 HydrophobicContact CE1-CB 3.97Å; F16-K20 HydrophobicContact CE1-CD 3.85Å; F16-K20 HydrophobicContact CE1-CG 4Å; F16-K20 HydrophobicContact CE2-CD 4.02Å; F16-K20 HydrophobicContact CE2-CG 3.95Å; F16-K20 HydrophobicContact CZ-CB 4.21Å; F16-K20 HydrophobicContact CZ-CD 3.4Å; F16-K20 HydrophobicContact CZ-CG 3.71Å; F16-K20 WeakPolarHBondContact O-CB 3.3Å; F16-K20 PolarHBondContact O-N 2.93Å
17	L	43.8	Very low	45	Very low	50 Å²	50	92.7 Å²	92.7	26%	0.262	50%	0.501	S	S	.	.	H	α-helix	trans	-61.9	-42	170.1	-79.6	162.1	0	0	0	109.8	C13 E19 L21 L197	C13-L17 HydrophobicContact CB-CD1 4.49Å; C13-L17 WeakPolarHBondContact O-CA 3.48Å; C13-L17 WeakPolarHBondContact O-CB 3.17Å; C13-L17 WeakPolarHBondContact O-CD1 3.5Å; C13-L17 WeakPolarHBondContact O-CG 3.4Å; C13-L17 PolarHBondContact O-N 3.08Å; L17-E19 VanDerWaalsContact C-N 3.31Å; L17-E19 PolarHBondContact O-N 2.95Å; L17-L21 HydrophobicContact CB-CD1 4.39Å; L17-L21 HydrophobicContact CD2-CD1 3.89Å; L17-L21 HydrophobicContact CD2-CG 4.46Å; L17-L21 WeakPolarHBondContact O-CB 3.41Å; L17-L21 WeakPolarHBondContact O-CD1 3.4Å; L17-L21 PolarHBondContact O-N 3.1Å; L17-L197 HydrophobicContact CD2-CD2 4.35Å
18	S	46.3	Very low	44.7	Very low	106 Å²	106	93.6 Å²	93.6	74%	0.741	51%	0.511	S	S	*	.	H	α-helix	trans	-64.8	-33.6	174.6	-166.7	0	0	0	0	112.7	N14 Q15 F16	N14-S18 WeakPolarHBondContact O-CB 3.36Å; N14-S18 PolarHBondContact O-N 3.17Å; Q15-S18 WeakPolarHBondContact O-CB 3.31Å; Q15-S18 PolarHBondContact O-N 3.26Å; F16-S18 VanDerWaalsContact C-N 3.3Å
19	E	39.9	Very low	44.6	Very low	130 Å²	130	88.9 Å²	88.9	61%	0.607	49%	0.49	S	S	*	.	H	α-helix	trans	-90.6	-33.8	-174.4	-74.9	174	-169.7	0	0	114.3	Q15 F16 L17	Q15-E19 WeakPolarHBondContact CG-OE1 3.43Å; Q15-E19 PolarHBondContact NE2-OE1 2.84Å; Q15-E19 WeakPolarHBondContact O-CB 3.46Å; Q15-E19 WeakPolarHBondContact O-CG 3.32Å; Q15-E19 PolarHBondContact O-N 3.49Å; F16-E19 PolarHBondContact O-N 2.93Å; L17-E19 VanDerWaalsContact C-N 3.31Å; L17-E19 PolarHBondContact O-N 2.95Å
20	K	36.5	Very low	45.1	Very low	115 Å²	115	86.4 Å²	86.4	50%	0.5	49%	0.486	S	S	.	.	H	α-helix	trans	-106.4	-11.4	-171.7	-91.6	-135.5	-173.9	178.2	0	116.6	F16 G22 A23	F16-K20 HydrophobicContact CD1-CB 4.24Å; F16-K20 HydrophobicContact CD2-CG 4.47Å; F16-K20 HydrophobicContact CE1-CB 3.97Å; F16-K20 HydrophobicContact CE1-CD 3.85Å; F16-K20 HydrophobicContact CE1-CG 4Å; F16-K20 HydrophobicContact CE2-CD 4.02Å; F16-K20 HydrophobicContact CE2-CG 3.95Å; F16-K20 HydrophobicContact CZ-CB 4.21Å; F16-K20 HydrophobicContact CZ-CD 3.4Å; F16-K20 HydrophobicContact CZ-CG 3.71Å; F16-K20 WeakPolarHBondContact O-CB 3.3Å; F16-K20 PolarHBondContact O-N 2.93Å; K20-G22 PolarHBondContact O-N 3.16Å; K20-G22 VanDerWaalsContact O-N 3.08Å; K20-A23 PolarHBondContact O-N 2.9Å; K20-A23 VanDerWaalsContact O-O 3.09Å
21	L	42.6	Very low	45.3	Very low	88 Å²	88	90 Å²	90	46%	0.461	51%	0.51	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-14.1	174.9	-89.4	162.9	0	0	0	113.2	L17 A23	L17-L21 HydrophobicContact CB-CD1 4.39Å; L17-L21 HydrophobicContact CD2-CD1 3.89Å; L17-L21 HydrophobicContact CD2-CG 4.46Å; L17-L21 WeakPolarHBondContact O-CB 3.41Å; L17-L21 WeakPolarHBondContact O-CD1 3.4Å; L17-L21 PolarHBondContact O-N 3.1Å; L21-A23 PolarHBondContact O-N 3.5Å
22	G	38.3	Very low	46.3	Very low	81 Å²	81	88.6 Å²	88.6	84%	0.835	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-11.5	167.5	0	0	0	0	0	115.1	K20	K20-G22 PolarHBondContact O-N 3.16Å; K20-G22 VanDerWaalsContact O-N 3.08Å
23	A	38.1	Very low	48.2	Very low	57 Å²	57	81 Å²	81	47%	0.471	47%	0.465	S	S	.	.	S	Bend	trans	-150.4	123.2	-173.5	0	0	0	0	0	113.1	K20 L21	K20-A23 PolarHBondContact O-N 2.9Å; K20-A23 VanDerWaalsContact O-O 3.09Å; L21-A23 PolarHBondContact O-N 3.5Å
24	T	31	Very low	49.9	Very low	122 Å²	122	87.5 Å²	87.5	75%	0.748	49%	0.492	S	S	*	.			trans	95.4	118	155	67.9	0	0	0	0	120
25	K	37.4	Very low	51.8	Low	210 Å²	210	89 Å²	89	91%	0.913	50%	0.497	S	S	*	.	S	Bend	trans	39.9	110.3	137.3	-68.2	-178.2	177.2	178.4	0	118.3
26	G	41.3	Very low	53.7	Low	57 Å²	57	84 Å²	84	59%	0.588	47%	0.474	S	S	*	.			trans	100.6	116.8	170.2	0	0	0	0	0	109.8	D28	G26-D28 PolarHBondContact O-N 3.09Å
27	M	46	Very low	56.1	Low	55 Å²	55	80.1 Å²	80.1	27%	0.271	46%	0.459	S	S	.	.			trans	-69.2	38.3	162.9	-61.8	170.5	-145.7	0	0	110.3	K29 A169 K172	M27-K29 PolarHBondContact O-N 3.07Å; M27-A169 HydrophobicContact CE-CB 3.96Å; M27-A169 HydrophobicContact SD-CB 3.59Å; M27-A169 VanDerWaalsContact SD-CB 3.59Å; M27-K172 HydrophobicContact CE-CB 3.79Å; M27-K172 HydrophobicContact CE-CD 3.21Å; M27-K172 HydrophobicContact CE-CG 4.11Å
28	D	46.2	Very low	58.4	Low	123 Å²	123	83.9 Å²	83.9	66%	0.658	48%	0.475	S	S	*	.			trans	-75.7	122.6	177.4	-157	8.5	0	0	0	105.5	G26 G30	G26-D28 PolarHBondContact O-N 3.09Å; D28-G30 PolarHBondContact O-N 3.36Å
29	K	53	Low	60.6	Low	44 Å²	44	81.4 Å²	81.4	19%	0.191	45%	0.453	C	S	.	.			trans	-61.2	110.2	170.7	-53.8	175.1	-175	176.5	0	102.6	M27 Y33 E162	M27-K29 PolarHBondContact O-N 3.07Å; K29-Y33 HydrophobicContact CB-CD1 3.57Å; K29-Y33 HydrophobicContact CB-CE1 4.43Å; K29-Y33 HydrophobicContact CB-CG 4.06Å; K29-Y33 HydrophobicContact CD-CD1 3.55Å; K29-Y33 HydrophobicContact CD-CE1 3.59Å; K29-Y33 HydrophobicContact CG-CD1 4.04Å; K29-Y33 HydrophobicContact CG-CE1 4.43Å; K29-E162 WeakPolarHBondContact CE-OE2 3.32Å; K29-E162 IonicContact NZ-OE2 3.29Å; K29-E162 PolarHBondContact NZ-OE2 3.33Å
30	G	59	Low	63.3	Low	26 Å²	26	75.3 Å²	75.3	27%	0.268	43%	0.425	S	S	.	.			trans	-42.6	148.1	-170.2	0	0	0	0	0	111.4	D28 D32 Y33	D28-G30 PolarHBondContact O-N 3.36Å; G30-D32 CarbonylContact O-C 3.55Å; G30-D32 PolarHBondContact O-N 3.44Å; G30-Y33 PolarHBondContact O-N 2.91Å
31	P	59.3	Low	66.2	Low	87 Å²	87	73.3 Å²	73.3	57%	0.565	42%	0.42	S	S	*	.	H	α-helix	trans	-46.3	-31.7	-165.3	16.6	-31.8	0	0	0	114	K34 Q35	P31-K34 PolarHBondContact O-N 3.25Å; P31-Q35 WeakPolarHBondContact O-CG 3.48Å; P31-Q35 PolarHBondContact O-N 3.1Å
32	D	76.6	Confident	68.7	Low	34 Å²	34	72.4 Å²	72.4	18%	0.182	42%	0.421	C	S	.	.	H	α-helix	trans	-69	-39.2	178.5	-48.4	-45.8	0	0	0	114.1	H9 C13 G30 K34 Q35 L36	H9-D32 IonicContact CD2-OD1 2.85Å; H9-D32 PolarHBondContact CD2-OD1 2.87Å; H9-D32 VanDerWaalsContact CD2-OD1 3.26Å; H9-D32 IonicContact NE2-OD1 3.14Å; C13-D32 HydrophobicContact CB-CB 4.35Å; C13-D32 WeakPolarHBondContact SG-CB 3.36Å; C13-D32 PolarHBondContact SG-OD2 3.02Å; G30-D32 CarbonylContact O-C 3.55Å; G30-D32 PolarHBondContact O-N 3.44Å; D32-K34 VanDerWaalsContact C-N 3.32Å; D32-K34 PolarHBondContact O-N 3.47Å; D32-Q35 PolarHBondContact O-N 3.49Å; D32-L36 WeakPolarHBondContact O-CG 3.01Å; D32-L36 PolarHBondContact O-N 3.47Å
33	Y	86.6	Confident	71.5	Confident	10 Å²	10	70.2 Å²	70.2	4%	0.039	39%	0.388	C	S	.	.	H	α-helix	trans	-65.7	-38.4	176.2	-174.5	-85.4	0	0	0	111.4	K29 G30 L36 T37 L197 S200 T201 M204	K29-Y33 HydrophobicContact CB-CD1 3.57Å; K29-Y33 HydrophobicContact CB-CE1 4.43Å; K29-Y33 HydrophobicContact CB-CG 4.06Å; K29-Y33 HydrophobicContact CD-CD1 3.55Å; K29-Y33 HydrophobicContact CD-CE1 3.59Å; K29-Y33 HydrophobicContact CG-CD1 4.04Å; K29-Y33 HydrophobicContact CG-CE1 4.43Å; G30-Y33 PolarHBondContact O-N 2.91Å; Y33-L36 PolarHBondContact O-N 2.9Å; Y33-T37 WeakPolarHBondContact CD1-OG1 3.31Å; Y33-T37 VanDerWaalsContact CE1-OG1 3.23Å; Y33-T37 WeakPolarHBondContact CE1-OG1 3.48Å; Y33-T37 VanDerWaalsContact O-CB 3.31Å; Y33-T37 WeakPolarHBondContact O-CB 3.22Å; Y33-T37 PolarHBondContact O-N 3.01Å; Y33-T37 PolarHBondContact O-OG1 3.15Å; Y33-L197 HydrophobicContact CD1-CD1 4.33Å; Y33-L197 HydrophobicContact CD2-CD1 3.44Å; Y33-L197 VanDerWaalsContact CD2-CD1 3.44Å; Y33-L197 HydrophobicContact CD2-CG 4.48Å; Y33-L197 HydrophobicContact CE1-CD1 4.41Å; Y33-L197 HydrophobicContact CE2-CD1 3.52Å; Y33-L197 HydrophobicContact CG-CD1 3.86Å; Y33-S200 PolarHBondContact OH-OG 3.13Å; Y33-T201 WeakPolarHBondContact CD2-OG1 3.25Å; Y33-M204 HydrophobicContact CD2-CE 3.77Å; Y33-M204 HydrophobicContact CE2-CE 3.33Å
34	K	86.2	Confident	74.4	Confident	143 Å²	143	71.1 Å²	71.1	62%	0.622	38%	0.381	S	S	*	.	H	α-helix	trans	-63.8	-42.3	175.9	-173.2	-179.9	178.4	-178.1	0	111.1	P31 D32 T37 Q38	P31-K34 PolarHBondContact O-N 3.25Å; D32-K34 VanDerWaalsContact C-N 3.32Å; D32-K34 PolarHBondContact O-N 3.47Å; K34-T37 WeakPolarHBondContact O-CB 3.36Å; K34-T37 PolarHBondContact O-N 2.93Å; K34-Q38 PolarHBondContact O-N 2.8Å
35	Q	87.7	Confident	77.6	Confident	108 Å²	108	67.9 Å²	67.9	51%	0.505	37%	0.367	S	S	.	.	H	α-helix	trans	-63.5	-45.9	174.7	-70.1	174.9	29.2	0	0	112	P31 D32 T37 Q38 L39	P31-Q35 WeakPolarHBondContact O-CG 3.48Å; P31-Q35 PolarHBondContact O-N 3.1Å; D32-Q35 PolarHBondContact O-N 3.49Å; Q35-T37 VanDerWaalsContact C-N 3.29Å; Q35-T37 PolarHBondContact O-N 2.86Å; Q35-Q38 PolarHBondContact O-N 3.05Å; Q35-L39 WeakPolarHBondContact O-CB 3.35Å; Q35-L39 PolarHBondContact O-N 3.07Å
36	L	89.4	Confident	80.4	Confident	10 Å²	10	62.6 Å²	62.6	5%	0.052	34%	0.344	C	S	.	.	H	α-helix	trans	-57.8	-42.9	174.8	-75.8	172.9	0	0	0	111.8	I10 D32 Y33 L39 M40 T201 M204 L208	I10-L36 HydrophobicContact CD1-CD2 3.82Å; I10-L36 HydrophobicContact CG1-CD2 4.34Å; D32-L36 WeakPolarHBondContact O-CG 3.01Å; D32-L36 PolarHBondContact O-N 3.47Å; Y33-L36 PolarHBondContact O-N 2.9Å; L36-L39 PolarHBondContact O-N 3.01Å; L36-M40 VanDerWaalsContact O-CG 3.3Å; L36-M40 WeakPolarHBondContact O-CG 3.28Å; L36-M40 PolarHBondContact O-N 2.82Å; L36-T201 HydrophobicContact CD1-CG2 4.18Å; L36-M204 HydrophobicContact CB-CE 3.91Å; L36-M204 HydrophobicContact CB-SD 3.97Å; L36-M204 HydrophobicContact CD1-CE 4.34Å; L36-L208 HydrophobicContact CD2-CD1 3.65Å
37	T	92.9	Very high	83.1	Confident	26 Å²	26	60.1 Å²	60.1	16%	0.16	32%	0.317	C	S	.	.	H	α-helix	trans	-58.7	-49.5	177.1	-65.5	0	0	0	0	111.2	Y33 K34 Q35 L39 M40 D41	Y33-T37 WeakPolarHBondContact CD1-OG1 3.31Å; Y33-T37 VanDerWaalsContact CE1-OG1 3.23Å; Y33-T37 WeakPolarHBondContact CE1-OG1 3.48Å; Y33-T37 VanDerWaalsContact O-CB 3.31Å; Y33-T37 WeakPolarHBondContact O-CB 3.22Å; Y33-T37 PolarHBondContact O-N 3.01Å; Y33-T37 PolarHBondContact O-OG1 3.15Å; K34-T37 WeakPolarHBondContact O-CB 3.36Å; K34-T37 PolarHBondContact O-N 2.93Å; Q35-T37 VanDerWaalsContact C-N 3.29Å; Q35-T37 PolarHBondContact O-N 2.86Å; T37-L39 VanDerWaalsContact C-N 3.34Å; T37-L39 PolarHBondContact O-N 2.87Å; T37-M40 PolarHBondContact O-N 3.42Å; T37-D41 PolarHBondContact O-N 2.98Å
38	Q	92.2	Very high	85.6	Confident	130 Å²	130	61.1 Å²	61.1	61%	0.607	32%	0.321	S	S	*	.	H	α-helix	trans	-64.2	-39	178.5	-176.6	177.7	6.9	0	0	112.3	K34 Q35 D41 S42	K34-Q38 PolarHBondContact O-N 2.8Å; Q35-Q38 PolarHBondContact O-N 3.05Å; Q38-D41 PolarHBondContact O-N 3.18Å; Q38-S42 PolarHBondContact O-N 2.79Å; Q38-S42 PolarHBondContact O-OG 3.11Å
39	L	92.7	Very high	88	Confident	53 Å²	53	58.5 Å²	58.5	28%	0.277	31%	0.307	S	S	.	.	H	α-helix	trans	-62.6	-44.8	175	-177.9	58.6	0	0	0	110.8	Q35 L36 T37 D41 S42 Y43 L208	Q35-L39 WeakPolarHBondContact O-CB 3.35Å; Q35-L39 PolarHBondContact O-N 3.07Å; L36-L39 PolarHBondContact O-N 3.01Å; T37-L39 VanDerWaalsContact C-N 3.34Å; T37-L39 PolarHBondContact O-N 2.87Å; L39-D41 VanDerWaalsContact C-N 3.31Å; L39-D41 PolarHBondContact O-N 2.86Å; L39-S42 WeakPolarHBondContact O-CB 3.5Å; L39-S42 PolarHBondContact O-N 3.43Å; L39-S42 VanDerWaalsContact O-N 3.12Å; L39-Y43 HydrophobicContact CD1-CD2 4.08Å; L39-Y43 HydrophobicContact CD1-CE2 3.75Å; L39-Y43 HydrophobicContact CD2-CE2 4.27Å; L39-Y43 HydrophobicContact CG-CD2 3.95Å; L39-Y43 HydrophobicContact CG-CE2 3.75Å; L39-Y43 VanDerWaalsContact O-CD2 3.32Å; L39-Y43 WeakPolarHBondContact O-CD2 3.42Å; L39-Y43 PolarHBondContact O-N 2.86Å; L39-L208 HydrophobicContact CD2-CD1 3.92Å; L39-L208 HydrophobicContact CD2-CD2 3.69Å; L39-L208 HydrophobicContact CD2-CG 4.47Å; L39-L208 HydrophobicContact CG-CD2 4.3Å
40	M	96.2	Very high	90.2	Very high	3 Å²	3	58.2 Å²	58.2	2%	0.015	31%	0.307	C	S	.	.	H	α-helix	trans	-65.4	-32.1	176.8	-69.6	-52	-46.7	0	0	113.5	L36 T37 S42 Y43 K44 I151 I154 M204 F207	L36-M40 VanDerWaalsContact O-CG 3.3Å; L36-M40 WeakPolarHBondContact O-CG 3.28Å; L36-M40 PolarHBondContact O-N 2.82Å; T37-M40 PolarHBondContact O-N 3.42Å; M40-S42 VanDerWaalsContact C-N 3.32Å; M40-Y43 PolarHBondContact O-N 2.76Å; M40-Y43 HydrophobicContact SD-CD2 4.47Å; M40-K44 WeakPolarHBondContact O-CB 3.42Å; M40-K44 PolarHBondContact O-N 2.95Å; M40-I151 HydrophobicContact CE-CG1 4.48Å; M40-I154 HydrophobicContact CB-CG2 4.45Å; M40-I154 HydrophobicContact CE-CD1 3.53Å; M40-I154 HydrophobicContact CE-CG2 4.13Å; M40-I154 HydrophobicContact CG-CG2 4.1Å; M40-I154 HydrophobicContact SD-CD1 4.22Å; M40-M204 HydrophobicContact CB-SD 4.46Å; M40-M204 HydrophobicContact CG-CB 4.19Å; M40-M204 HydrophobicContact CG-CG 3.64Å; M40-M204 HydrophobicContact CG-SD 3.6Å; M40-M204 HydrophobicContact SD-CB 4.37Å; M40-M204 HydrophobicContact SD-CG 4.27Å; M40-F207 HydrophobicContact CE-CD1 3.64Å; M40-F207 HydrophobicContact CE-CE1 3.82Å; M40-F207 HydrophobicContact CE-CG 4.05Å; M40-F207 HydrophobicContact CE-CZ 4.35Å; M40-F207 HydrophobicContact SD-CD1 3.73Å; M40-F207 HydrophobicContact SD-CE1 4.22Å; M40-F207 HydrophobicContact SD-CG 4.42Å
41	D	96.6	Very high	91.9	Very high	72 Å²	72	59 Å²	59	39%	0.385	30%	0.304	S	S	.	.	H	α-helix	trans	-65.2	-39.5	171.8	-69.2	-31.9	0	0	0	111.4	T37 Q38 L39 K44 A45 R158	T37-D41 PolarHBondContact O-N 2.98Å; Q38-D41 PolarHBondContact O-N 3.18Å; L39-D41 VanDerWaalsContact C-N 3.31Å; L39-D41 PolarHBondContact O-N 2.86Å; D41-K44 PolarHBondContact O-N 2.97Å; D41-A45 PolarHBondContact O-N 3.11Å; D41-R158 IonicContact OD1-CZ 3.55Å; D41-R158 IonicContact OD1-NH1 2.75Å; D41-R158 PolarHBondContact OD1-NH1 2.87Å; D41-R158 IonicContact OD1-NH2 3.26Å; D41-R158 PolarHBondContact OD1-NH2 2.75Å; D41-R158 IonicContact OD2-CZ 3.77Å; D41-R158 IonicContact OD2-NH1 2.72Å; D41-R158 IonicContact OD2-NH2 3.78Å; D41-R158 PolarHBondContact OD2-NH2 3.03Å
42	S	96.4	Very high	93.6	Very high	69 Å²	69	60.9 Å²	60.9	48%	0.483	30%	0.303	S	S	.	.	H	α-helix	trans	-64.8	-44.8	175.4	-53.1	0	0	0	0	111.4	Q38 L39 M40 K44 A45 F46	Q38-S42 PolarHBondContact O-N 2.79Å; Q38-S42 PolarHBondContact O-OG 3.11Å; L39-S42 WeakPolarHBondContact O-CB 3.5Å; L39-S42 PolarHBondContact O-N 3.43Å; L39-S42 VanDerWaalsContact O-N 3.12Å; M40-S42 VanDerWaalsContact C-N 3.32Å; S42-K44 PolarHBondContact O-N 2.9Å; S42-A45 PolarHBondContact O-N 3.48Å; S42-F46 WeakPolarHBondContact O-CB 3.47Å; S42-F46 PolarHBondContact O-N 2.84Å
43	Y	96.9	Very high	94.6	Very high	36 Å²	36	66.4 Å²	66.4	14%	0.141	32%	0.321	C	S	.	.	H	α-helix	trans	-59	-47.2	173.2	-86.1	-73.4	0	0	0	111.6	L39 M40 A45 F46 Y47 F207 L208	L39-Y43 HydrophobicContact CD1-CD2 4.08Å; L39-Y43 HydrophobicContact CD1-CE2 3.75Å; L39-Y43 HydrophobicContact CD2-CE2 4.27Å; L39-Y43 HydrophobicContact CG-CD2 3.95Å; L39-Y43 HydrophobicContact CG-CE2 3.75Å; L39-Y43 VanDerWaalsContact O-CD2 3.32Å; L39-Y43 WeakPolarHBondContact O-CD2 3.42Å; L39-Y43 PolarHBondContact O-N 2.86Å; M40-Y43 PolarHBondContact O-N 2.76Å; M40-Y43 HydrophobicContact SD-CD2 4.47Å; Y43-A45 PolarHBondContact O-N 3.47Å; Y43-F46 WeakPolarHBondContact O-CB 3.28Å; Y43-F46 PolarHBondContact O-N 3.37Å; Y43-Y47 HydrophobicContact CD1-CD2 4.4Å; Y43-Y47 AromaticContact CD1-CE2 3.89Å; Y43-Y47 HydrophobicContact CD1-CE2 3.89Å; Y43-Y47 VanDerWaalsContact O-CD2 3.25Å; Y43-Y47 WeakPolarHBondContact O-CD2 3.28Å; Y43-Y47 PolarHBondContact O-N 3.15Å; Y43-F207 AromaticContact CD1-CE1 3.76Å; Y43-F207 HydrophobicContact CD1-CE1 3.76Å; Y43-F207 HydrophobicContact CD1-CZ 4.07Å; Y43-F207 AromaticContact CD2-CE1 3.95Å; Y43-F207 HydrophobicContact CD2-CE1 3.95Å; Y43-F207 HydrophobicContact CE1-CE1 4.03Å; Y43-F207 HydrophobicContact CE2-CE1 4.24Å; Y43-F207 AromaticContact CG-CE1 3.7Å; Y43-F207 HydrophobicContact CG-CE1 3.7Å; Y43-F207 HydrophobicContact CG-CZ 4.25Å; Y43-L208 HydrophobicContact CD2-CD2 4.26Å; Y43-L208 HydrophobicContact CE2-CD2 3.46Å; Y43-L208 VanDerWaalsContact CE2-CD2 3.46Å
44	K	97.9	Very high	95.2	Very high	75 Å²	75	66.2 Å²	66.2	33%	0.326	32%	0.321	S	S	.	.	H	α-helix	trans	-55.6	-51.5	177.9	-178.2	-176.3	175.8	-131.7	0	111.4	M40 D41 S42 F46 Y47 E48 I151	M40-K44 WeakPolarHBondContact O-CB 3.42Å; M40-K44 PolarHBondContact O-N 2.95Å; D41-K44 PolarHBondContact O-N 2.97Å; S42-K44 PolarHBondContact O-N 2.9Å; K44-F46 VanDerWaalsContact C-N 3.32Å; K44-F46 PolarHBondContact O-N 3.26Å; K44-Y47 PolarHBondContact O-N 2.93Å; K44-E48 WeakPolarHBondContact CE-OE1 3.26Å; K44-E48 IonicContact NZ-OE1 2.72Å; K44-E48 IonicContact NZ-OE2 3.02Å; K44-E48 WeakPolarHBondContact O-CG 3.24Å; K44-E48 PolarHBondContact O-N 3.33Å; K44-I151 HydrophobicContact CB-CG2 3.75Å; K44-I151 HydrophobicContact CD-CG2 4.33Å; K44-I151 HydrophobicContact CG-CG2 3.78Å
45	A	98.2	Very high	95.6	Very high	55 Å²	55	61.3 Å²	61.3	46%	0.455	30%	0.301	S	S	.	.	H	α-helix	trans	-59.8	-43.6	178.9	0	0	0	0	0	111.8	D41 S42 Y43 E48 D49	D41-A45 PolarHBondContact O-N 3.11Å; S42-A45 PolarHBondContact O-N 3.48Å; Y43-A45 PolarHBondContact O-N 3.47Å; A45-E48 PolarHBondContact O-N 3.09Å; A45-D49 VanDerWaalsContact O-CB 3.29Å; A45-D49 WeakPolarHBondContact O-CB 3.4Å; A45-D49 PolarHBondContact O-N 3.2Å
46	F	97.3	Very high	96	Very high	98 Å²	98	59.7 Å²	59.7	43%	0.43	30%	0.296	S	S	.	.	H	α-helix	trans	-57.5	-52.3	175.8	164.9	-107.2	0	0	0	112.3	S42 Y43 K44 E48 D49 I50	S42-F46 WeakPolarHBondContact O-CB 3.47Å; S42-F46 PolarHBondContact O-N 2.84Å; Y43-F46 WeakPolarHBondContact O-CB 3.28Å; Y43-F46 PolarHBondContact O-N 3.37Å; K44-F46 VanDerWaalsContact C-N 3.32Å; K44-F46 PolarHBondContact O-N 3.26Å; F46-E48 VanDerWaalsContact C-N 3.34Å; F46-E48 PolarHBondContact O-N 2.86Å; F46-D49 PolarHBondContact O-N 3.29Å; F46-I50 HydrophobicContact CD2-CB 4.27Å; F46-I50 HydrophobicContact CD2-CG2 4.49Å; F46-I50 HydrophobicContact CE1-CG2 4.31Å; F46-I50 HydrophobicContact CE2-CB 3.88Å; F46-I50 HydrophobicContact CE2-CD1 4.47Å; F46-I50 HydrophobicContact CE2-CG1 4.02Å; F46-I50 HydrophobicContact CE2-CG2 4.12Å; F46-I50 HydrophobicContact CZ-CB 4.25Å; F46-I50 HydrophobicContact CZ-CG1 4.27Å; F46-I50 HydrophobicContact CZ-CG2 4.02Å; F46-I50 WeakPolarHBondContact O-CB 3.33Å; F46-I50 VanDerWaalsContact O-CG2 3.22Å; F46-I50 WeakPolarHBondContact O-CG2 3.35Å; F46-I50 PolarHBondContact O-N 3.48Å
47	Y	97.9	Very high	96.2	Very high	5 Å²	5	63.5 Å²	63.5	2%	0.02	32%	0.323	C	S	.	.	H	α-helix	trans	-64.8	-35.9	-178.2	-84.3	-84.8	0	0	0	112.5	Y43 K44 Q51 I143 K146 I151 F207 Q214	Y43-Y47 HydrophobicContact CD1-CD2 4.4Å; Y43-Y47 AromaticContact CD1-CE2 3.89Å; Y43-Y47 HydrophobicContact CD1-CE2 3.89Å; Y43-Y47 VanDerWaalsContact O-CD2 3.25Å; Y43-Y47 WeakPolarHBondContact O-CD2 3.28Å; Y43-Y47 PolarHBondContact O-N 3.15Å; K44-Y47 PolarHBondContact O-N 2.93Å; Y47-Q51 WeakPolarHBondContact O-CB 3.48Å; Y47-I143 HydrophobicContact CD1-CB 4.35Å; Y47-I143 HydrophobicContact CD1-CD1 3.9Å; Y47-I143 HydrophobicContact CD1-CG2 3.81Å; Y47-I143 HydrophobicContact CE1-CD1 3.49Å; Y47-I143 VanDerWaalsContact CE1-CD1 3.49Å; Y47-I143 HydrophobicContact CE1-CG2 4.48Å; Y47-K146 HydrophobicContact CD1-CB 4.03Å; Y47-K146 HydrophobicContact CE1-CB 3.59Å; Y47-K146 HydrophobicContact CE1-CG 4.07Å; Y47-I151 HydrophobicContact CD2-CD1 3.39Å; Y47-I151 HydrophobicContact CE2-CD1 4.07Å; Y47-I151 HydrophobicContact CG-CD1 3.82Å; Y47-F207 AromaticContact CE2-CZ 3.95Å; Y47-F207 HydrophobicContact CE2-CZ 3.95Å; Y47-Q214 VanDerWaalsContact OH-CD 3.32Å; Y47-Q214 VanDerWaalsContact OH-CG 3.31Å; Y47-Q214 WeakPolarHBondContact OH-CG 3.41Å; Y47-Q214 PolarHBondContact OH-OE1 2.9Å
48	E	97.3	Very high	96.3	Very high	76 Å²	76	62.9 Å²	62.9	36%	0.355	32%	0.318	S	S	.	.	H	α-helix	trans	-68.1	-36	175.4	-72.9	175.9	156.8	0	0	112.7	K44 A45 F46 K52 L147	K44-E48 WeakPolarHBondContact CE-OE1 3.26Å; K44-E48 IonicContact NZ-OE1 2.72Å; K44-E48 IonicContact NZ-OE2 3.02Å; K44-E48 WeakPolarHBondContact O-CG 3.24Å; K44-E48 PolarHBondContact O-N 3.33Å; A45-E48 PolarHBondContact O-N 3.09Å; F46-E48 VanDerWaalsContact C-N 3.34Å; F46-E48 PolarHBondContact O-N 2.86Å; E48-K52 WeakPolarHBondContact O-CE 3.47Å; E48-K52 WeakPolarHBondContact O-CG 3.17Å; E48-L147 HydrophobicContact CG-CD1 3.73Å; E48-L147 HydrophobicContact CG-CD2 3.88Å; E48-L147 HydrophobicContact CG-CG 4.45Å
49	D	98.4	Very high	96.3	Very high	68 Å²	68	57.3 Å²	57.3	36%	0.364	29%	0.292	S	S	.	.	H	α-helix	trans	-83.7	-47.3	-176.5	-167.3	42.1	0	0	0	112	A45 F46 Q51 K52 R53	A45-D49 VanDerWaalsContact O-CB 3.29Å; A45-D49 WeakPolarHBondContact O-CB 3.4Å; A45-D49 PolarHBondContact O-N 3.2Å; F46-D49 PolarHBondContact O-N 3.29Å; D49-Q51 VanDerWaalsContact C-N 3.28Å; D49-Q51 PolarHBondContact O-N 3.37Å; D49-K52 PolarHBondContact O-N 2.83Å; D49-K52 VanDerWaalsContact O-N 3.09Å; D49-R53 VanDerWaalsContact CG-NE 3.25Å; D49-R53 WeakPolarHBondContact O-CG 3.47Å; D49-R53 PolarHBondContact O-N 3.21Å; D49-R53 IonicContact OD1-CZ 2.86Å; D49-R53 IonicContact OD1-NE 3.13Å; D49-R53 PolarHBondContact OD1-NE 3.15Å; D49-R53 IonicContact OD1-NH2 2.95Å; D49-R53 PolarHBondContact OD1-NH2 2.96Å; D49-R53 VanDerWaalsContact OD1-NH2 3.14Å; D49-R53 IonicContact OD2-CZ 3.7Å; D49-R53 IonicContact OD2-NE 2.66Å; D49-R53 PolarHBondContact OD2-NE 2.91Å; D49-R53 IonicContact OD2-NH2 3.65Å; D49-R53 PolarHBondContact OD2-NH2 3.49Å
50	I	97.4	Very high	96.4	Very high	38 Å²	38	58.9 Å²	58.9	20%	0.195	31%	0.306	C	S	.	.	H	α-helix	trans	-63	-35.5	-176.7	-163.1	58.7	0	0	0	112.2	F46 K52 R53 V54 Y139 I143	F46-I50 HydrophobicContact CD2-CB 4.27Å; F46-I50 HydrophobicContact CD2-CG2 4.49Å; F46-I50 HydrophobicContact CE1-CG2 4.31Å; F46-I50 HydrophobicContact CE2-CB 3.88Å; F46-I50 HydrophobicContact CE2-CD1 4.47Å; F46-I50 HydrophobicContact CE2-CG1 4.02Å; F46-I50 HydrophobicContact CE2-CG2 4.12Å; F46-I50 HydrophobicContact CZ-CB 4.25Å; F46-I50 HydrophobicContact CZ-CG1 4.27Å; F46-I50 HydrophobicContact CZ-CG2 4.02Å; F46-I50 WeakPolarHBondContact O-CB 3.33Å; F46-I50 VanDerWaalsContact O-CG2 3.22Å; F46-I50 WeakPolarHBondContact O-CG2 3.35Å; F46-I50 PolarHBondContact O-N 3.48Å; I50-K52 VanDerWaalsContact C-N 3.3Å; I50-K52 PolarHBondContact O-N 3.04Å; I50-R53 PolarHBondContact O-N 3.39Å; I50-V54 HydrophobicContact CD1-CG2 4.14Å; I50-V54 HydrophobicContact CG1-CG2 4.2Å; I50-V54 WeakPolarHBondContact O-CB 3.45Å; I50-V54 WeakPolarHBondContact O-CG2 3.27Å; I50-V54 PolarHBondContact O-N 3.16Å; I50-Y139 VanDerWaalsContact CG1-OH 3.3Å; I50-Y139 WeakPolarHBondContact CG1-OH 3.42Å; I50-I143 HydrophobicContact CG2-CG2 4.16Å
51	Q	95.4	Very high	96.2	Very high	43 Å²	43	61.5 Å²	61.5	20%	0.201	32%	0.32	C	S	.	.	H	α-helix	trans	-58.6	-44.6	176	-173.3	179.6	14.9	0	0	111	Y47 D49 I55 L140 I143	Y47-Q51 WeakPolarHBondContact O-CB 3.48Å; D49-Q51 VanDerWaalsContact C-N 3.28Å; D49-Q51 PolarHBondContact O-N 3.37Å; Q51-I55 HydrophobicContact CG-CD1 4.29Å; Q51-I55 WeakPolarHBondContact O-CD1 3.35Å; Q51-I55 WeakPolarHBondContact O-CG1 3.36Å; Q51-I55 PolarHBondContact O-N 2.98Å; Q51-L140 HydrophobicContact CG-CD2 4.25Å; Q51-I143 HydrophobicContact CB-CG2 3.96Å; Q51-I143 HydrophobicContact CG-CG2 4.42Å
52	K	95.8	Very high	96	Very high	127 Å²	127	61.2 Å²	61.2	55%	0.552	32%	0.322	S	S	*	.	H	α-helix	trans	-68	-50.3	179.8	-62.5	171.4	-171.1	171	0	110.5	E48 D49 I50 V54 I55 D56	E48-K52 WeakPolarHBondContact O-CE 3.47Å; E48-K52 WeakPolarHBondContact O-CG 3.17Å; D49-K52 PolarHBondContact O-N 2.83Å; D49-K52 VanDerWaalsContact O-N 3.09Å; I50-K52 VanDerWaalsContact C-N 3.3Å; I50-K52 PolarHBondContact O-N 3.04Å; K52-V54 VanDerWaalsContact C-N 3.33Å; K52-V54 PolarHBondContact O-N 3.49Å; K52-I55 PolarHBondContact O-N 2.82Å; K52-I55 VanDerWaalsContact O-N 3.11Å; K52-D56 VanDerWaalsContact O-CG 3.29Å; K52-D56 PolarHBondContact O-N 2.88Å
53	R	97.7	Very high	95.7	Very high	149 Å²	149	62.9 Å²	62.9	56%	0.562	33%	0.325	S	S	*	.	H	α-helix	trans	-60.5	-38.6	-177.7	-67.4	-175	-170.4	-73.1	-10.9	113.3	D49 I50 D56 C57	D49-R53 VanDerWaalsContact CG-NE 3.25Å; D49-R53 WeakPolarHBondContact O-CG 3.47Å; D49-R53 PolarHBondContact O-N 3.21Å; D49-R53 IonicContact OD1-CZ 2.86Å; D49-R53 IonicContact OD1-NE 3.13Å; D49-R53 PolarHBondContact OD1-NE 3.15Å; D49-R53 IonicContact OD1-NH2 2.95Å; D49-R53 PolarHBondContact OD1-NH2 2.96Å; D49-R53 VanDerWaalsContact OD1-NH2 3.14Å; D49-R53 IonicContact OD2-CZ 3.7Å; D49-R53 IonicContact OD2-NE 2.66Å; D49-R53 PolarHBondContact OD2-NE 2.91Å; D49-R53 IonicContact OD2-NH2 3.65Å; D49-R53 PolarHBondContact OD2-NH2 3.49Å; I50-R53 PolarHBondContact O-N 3.39Å; R53-D56 PolarHBondContact O-N 2.82Å; R53-C57 VanDerWaalsContact O-CB 3.27Å; R53-C57 WeakPolarHBondContact O-CB 3.16Å; R53-C57 PolarHBondContact O-N 3.07Å
54	V	97.9	Very high	95.4	Very high	6 Å²	6	61.3 Å²	61.3	4%	0.036	32%	0.32	C	S	.	.	H	α-helix	trans	-68.6	-40.3	176.8	169.6	0	0	0	0	111	I50 K52 D56 C57 L58 T135 Y139 L140 F221	I50-V54 HydrophobicContact CD1-CG2 4.14Å; I50-V54 HydrophobicContact CG1-CG2 4.2Å; I50-V54 WeakPolarHBondContact O-CB 3.45Å; I50-V54 WeakPolarHBondContact O-CG2 3.27Å; I50-V54 PolarHBondContact O-N 3.16Å; K52-V54 VanDerWaalsContact C-N 3.33Å; K52-V54 PolarHBondContact O-N 3.49Å; V54-D56 VanDerWaalsContact C-N 3.32Å; V54-D56 PolarHBondContact O-N 3.38Å; V54-C57 WeakPolarHBondContact O-CB 3.18Å; V54-C57 PolarHBondContact O-N 3.18Å; V54-L58 HydrophobicContact CG1-CD1 4.16Å; V54-L58 VanDerWaalsContact O-CG 3.29Å; V54-L58 WeakPolarHBondContact O-CG 3.44Å; V54-L58 PolarHBondContact O-N 3.25Å; V54-L58 VanDerWaalsContact O-N 3.1Å; V54-T135 HydrophobicContact CG1-CG2 3.78Å; V54-Y139 HydrophobicContact CB-CE1 4.32Å; V54-Y139 HydrophobicContact CG1-CD1 4.18Å; V54-Y139 HydrophobicContact CG1-CE1 4.27Å; V54-Y139 HydrophobicContact CG2-CE1 3.82Å; V54-L140 HydrophobicContact CB-CD2 4.03Å; V54-L140 HydrophobicContact CG1-CD1 4.43Å; V54-L140 HydrophobicContact CG1-CD2 3.85Å; V54-L140 HydrophobicContact CG1-CG 4.23Å; V54-F221 HydrophobicContact CG1-CD2 4.25Å; V54-F221 HydrophobicContact CG1-CE2 3.79Å; V54-F221 HydrophobicContact CG1-CZ 4.29Å; V54-F221 HydrophobicContact CG2-CE2 4.47Å; V54-F221 HydrophobicContact CG2-CZ 4.22Å
55	I	95.5	Very high	95.1	Very high	41 Å²	41	60 Å²	60	21%	0.21	31%	0.313	C	S	.	.	H	α-helix	trans	-64.5	-41.1	175.6	-56.9	162.5	0	0	0	110.4	Q51 K52 C57 L58 E59 R65 L140	Q51-I55 HydrophobicContact CG-CD1 4.29Å; Q51-I55 WeakPolarHBondContact O-CD1 3.35Å; Q51-I55 WeakPolarHBondContact O-CG1 3.36Å; Q51-I55 PolarHBondContact O-N 2.98Å; K52-I55 PolarHBondContact O-N 2.82Å; K52-I55 VanDerWaalsContact O-N 3.11Å; I55-C57 VanDerWaalsContact C-N 3.32Å; I55-C57 PolarHBondContact O-N 3.47Å; I55-L58 PolarHBondContact O-N 3.33Å; I55-E59 PolarHBondContact O-N 3.12Å; I55-R65 VanDerWaalsContact CG2-CD 3.41Å; I55-L140 HydrophobicContact CG1-CD1 3.68Å; I55-L140 HydrophobicContact CG1-CD2 4.08Å
56	D	95.2	Very high	94.6	Very high	73 Å²	73	64 Å²	64	39%	0.39	32%	0.32	S	S	.	.	H	α-helix	trans	-68.5	-31.2	177.7	-62.3	-22	0	0	0	112.4	K52 R53 V54 P60 R65	K52-D56 VanDerWaalsContact O-CG 3.29Å; K52-D56 PolarHBondContact O-N 2.88Å; R53-D56 PolarHBondContact O-N 2.82Å; V54-D56 VanDerWaalsContact C-N 3.32Å; V54-D56 PolarHBondContact O-N 3.38Å; D56-P60 WeakPolarHBondContact O-CA 3.45Å; D56-P60 WeakPolarHBondContact O-CB 3.23Å; D56-R65 IonicContact OD1-CZ 3.81Å; D56-R65 VanDerWaalsContact OD1-CZ 3.28Å; D56-R65 IonicContact OD1-NH1 3.24Å; D56-R65 PolarHBondContact OD1-NH1 3.03Å; D56-R65 IonicContact OD1-NH2 2.75Å; D56-R65 PolarHBondContact OD1-NH2 2.91Å
57	C	94.6	Very high	94.2	Very high	91 Å²	91	66.9 Å²	66.9	62%	0.615	33%	0.328	S	S	*	.	H	α-helix	trans	-65.5	-41	173.2	-175.3	0	0	0	0	112	R53 V54 I55	R53-C57 VanDerWaalsContact O-CB 3.27Å; R53-C57 WeakPolarHBondContact O-CB 3.16Å; R53-C57 PolarHBondContact O-N 3.07Å; V54-C57 WeakPolarHBondContact O-CB 3.18Å; V54-C57 PolarHBondContact O-N 3.18Å; I55-C57 VanDerWaalsContact C-N 3.32Å; I55-C57 PolarHBondContact O-N 3.47Å
58	L	94	Very high	93.6	Very high	13 Å²	13	67.3 Å²	67.3	7%	0.068	33%	0.333	C	S	.	.	H	α-helix	trans	-77.8	-40.5	-178.3	-66.6	174.7	0	0	0	113.1	V54 I55 V132 T135	V54-L58 HydrophobicContact CG1-CD1 4.16Å; V54-L58 VanDerWaalsContact O-CG 3.29Å; V54-L58 WeakPolarHBondContact O-CG 3.44Å; V54-L58 PolarHBondContact O-N 3.25Å; V54-L58 VanDerWaalsContact O-N 3.1Å; I55-L58 PolarHBondContact O-N 3.33Å; L58-V132 HydrophobicContact CB-CG2 4.14Å; L58-V132 HydrophobicContact CD1-CG1 4.48Å; L58-V132 HydrophobicContact CD2-CG2 4.14Å; L58-V132 HydrophobicContact CG-CG2 4.5Å; L58-T135 HydrophobicContact CD1-CG2 3.62Å
59	E	93.5	Very high	92.9	Very high	13 Å²	13	73.3 Å²	73.3	6%	0.061	35%	0.352	C	S	.	.	S	Bend	trans	-139.9	72.6	-169.6	-68.9	174.9	166.4	0	0	109.6	I55 N61 R65 Y86 K136	I55-E59 PolarHBondContact O-N 3.12Å; E59-N61 PolarHBondContact O-N 3.28Å; E59-R65 HydrophobicContact CB-CB 4.48Å; E59-R65 HydrophobicContact CB-CG 4.49Å; E59-R65 VanDerWaalsContact O-CZ 3.24Å; E59-R65 PolarHBondContact O-NE 2.59Å; E59-R65 VanDerWaalsContact O-NE 3.08Å; E59-R65 PolarHBondContact O-NH2 3.47Å; E59-R65 WeakPolarHBondContact OE2-CD 3.48Å; E59-R65 WeakPolarHBondContact OE2-CG 3.46Å; E59-Y86 HydrophobicContact CB-CD2 3.72Å; E59-Y86 HydrophobicContact CB-CE1 4.45Å; E59-Y86 HydrophobicContact CB-CE2 3.59Å; E59-Y86 HydrophobicContact CB-CG 4.21Å; E59-Y86 HydrophobicContact CG-CD1 4.24Å; E59-Y86 HydrophobicContact CG-CD2 3.72Å; E59-Y86 HydrophobicContact CG-CE2 4.11Å; E59-Y86 HydrophobicContact CG-CG 3.78Å; E59-K136 IonicContact OE1-NZ 3.81Å; E59-K136 PolarHBondContact OE1-NZ 2.82Å; E59-K136 IonicContact OE2-NZ 3.26Å
60	P	93.2	Very high	92.2	Very high	86 Å²	86	72.3 Å²	72.3	56%	0.558	35%	0.353	S	S	*	.			trans	-59.9	-46.6	-164	20.4	-32.9	0	0	0	114.3	D56 P62 R65 Y86	D56-P60 WeakPolarHBondContact O-CA 3.45Å; D56-P60 WeakPolarHBondContact O-CB 3.23Å; P60-P62 WeakPolarHBondContact O-CD 3.39Å; P60-R65 PolarHBondContact O-NH2 3.21Å; P60-Y86 WeakPolarHBondContact CD-OH 3.31Å
61	N	92.4	Very high	91.3	Very high	58 Å²	58	73.7 Å²	73.7	31%	0.31	36%	0.361	S	S	.	.			trans	-70.1	111	177.8	-175.4	-33.2	0	0	0	111.6	E59 N63 A64 R65 Y86	E59-N61 PolarHBondContact O-N 3.28Å; N61-N63 VanDerWaalsContact C-N 3.34Å; N61-N63 PolarHBondContact O-N 3.12Å; N61-N63 WeakPolarHBondContact OD1-CB 3.47Å; N61-N63 PolarHBondContact OD1-N 2.94Å; N61-A64 HydrophobicContact CB-CB 3.82Å; N61-A64 PolarHBondContact O-N 3.1Å; N61-A64 PolarHBondContact OD1-N 3.14Å; N61-R65 PolarHBondContact O-N 3.1Å; N61-Y86 WeakPolarHBondContact CB-OH 3.4Å; N61-Y86 PolarHBondContact N-OH 2.74Å
62	P	92.6	Very high	90.5	Very high	65 Å²	65	73.7 Å²	73.7	42%	0.422	37%	0.368	S	S	.	.	H	α-helix	trans	-69.9	-30.5	-176.9	-18.7	33.8	0	0	0	113.1	P60 R65 K66	P60-P62 WeakPolarHBondContact O-CD 3.39Å; P62-R65 PolarHBondContact O-N 3.44Å; P62-K66 VanDerWaalsContact O-CG 3.31Å; P62-K66 WeakPolarHBondContact O-CG 3.15Å; P62-K66 PolarHBondContact O-N 3.31Å
63	N	91.1	Very high	89.7	Confident	105 Å²	105	69.7 Å²	69.7	56%	0.561	36%	0.359	S	S	*	.	H	α-helix	trans	-71.7	-41	178.6	-68.3	-27.1	0	0	0	110.6	N61 K66 R67	N61-N63 VanDerWaalsContact C-N 3.34Å; N61-N63 PolarHBondContact O-N 3.12Å; N61-N63 WeakPolarHBondContact OD1-CB 3.47Å; N61-N63 PolarHBondContact OD1-N 2.94Å; N63-K66 PolarHBondContact O-N 2.9Å; N63-R67 WeakPolarHBondContact O-CG 3.42Å; N63-R67 PolarHBondContact O-N 3.48Å
64	A	90.8	Very high	88.8	Confident	3 Å²	3	65.7 Å²	65.7	3%	0.025	35%	0.351	C	S	.	.	H	α-helix	trans	-60.5	-45.1	171.7	0	0	0	0	0	111.6	N61 K66 R67 A68 Y86 P87	N61-A64 HydrophobicContact CB-CB 3.82Å; N61-A64 PolarHBondContact O-N 3.1Å; N61-A64 PolarHBondContact OD1-N 3.14Å; A64-K66 PolarHBondContact O-N 2.99Å; A64-R67 PolarHBondContact O-N 2.83Å; A64-A68 WeakPolarHBondContact O-CB 3.49Å; A64-A68 PolarHBondContact O-N 3.34Å; A64-Y86 HydrophobicContact CB-CD2 4.3Å; A64-Y86 HydrophobicContact CB-CE2 3.7Å; A64-P87 HydrophobicContact CB-CG 3.79Å
65	R	90.1	Very high	87.8	Confident	48 Å²	48	66.4 Å²	66.4	18%	0.181	35%	0.354	C	S	.	.	H	α-helix	trans	-60.4	-44	176.2	178.5	173.6	6.1	151.3	0.4	112.9	I55 D56 E59 P60 N61 P62 R67 A68 W69 Y86	I55-R65 VanDerWaalsContact CG2-CD 3.41Å; D56-R65 IonicContact OD1-CZ 3.81Å; D56-R65 VanDerWaalsContact OD1-CZ 3.28Å; D56-R65 IonicContact OD1-NH1 3.24Å; D56-R65 PolarHBondContact OD1-NH1 3.03Å; D56-R65 IonicContact OD1-NH2 2.75Å; D56-R65 PolarHBondContact OD1-NH2 2.91Å; E59-R65 HydrophobicContact CB-CB 4.48Å; E59-R65 HydrophobicContact CB-CG 4.49Å; E59-R65 VanDerWaalsContact O-CZ 3.24Å; E59-R65 PolarHBondContact O-NE 2.59Å; E59-R65 VanDerWaalsContact O-NE 3.08Å; E59-R65 PolarHBondContact O-NH2 3.47Å; E59-R65 WeakPolarHBondContact OE2-CD 3.48Å; E59-R65 WeakPolarHBondContact OE2-CG 3.46Å; P60-R65 PolarHBondContact O-NH2 3.21Å; N61-R65 PolarHBondContact O-N 3.1Å; P62-R65 PolarHBondContact O-N 3.44Å; R65-R67 PolarHBondContact O-N 3.31Å; R65-A68 PolarHBondContact O-N 3.5Å; R65-W69 WeakPolarHBondContact O-CB 3.45Å; R65-W69 PolarHBondContact O-N 2.96Å; R65-Y86 HydrophobicContact CB-CD2 4.28Å; R65-Y86 HydrophobicContact CB-CE2 4.12Å
66	K	89.1	Confident	86.9	Confident	137 Å²	137	73.2 Å²	73.2	60%	0.596	38%	0.382	S	S	*	.	H	α-helix	trans	-59.8	-44.2	174.6	-76.1	173.6	-174.8	174	0	112	P62 N63 A64 W69 A70	P62-K66 VanDerWaalsContact O-CG 3.31Å; P62-K66 WeakPolarHBondContact O-CG 3.15Å; P62-K66 PolarHBondContact O-N 3.31Å; N63-K66 PolarHBondContact O-N 2.9Å; A64-K66 PolarHBondContact O-N 2.99Å; K66-W69 PolarHBondContact O-N 2.92Å; K66-A70 WeakPolarHBondContact O-CB 3.45Å; K66-A70 PolarHBondContact O-N 2.97Å
67	R	87.8	Confident	86	Confident	160 Å²	160	76.8 Å²	76.8	60%	0.604	40%	0.4	S	S	*	.	H	α-helix	trans	-64.2	-47.9	177.3	-72.8	-172.4	-67.3	179.6	0.1	111.9	N63 A64 R65 W69 A70 N71	N63-R67 WeakPolarHBondContact O-CG 3.42Å; N63-R67 PolarHBondContact O-N 3.48Å; A64-R67 PolarHBondContact O-N 2.83Å; R65-R67 PolarHBondContact O-N 3.31Å; R67-W69 VanDerWaalsContact C-N 3.3Å; R67-W69 PolarHBondContact O-N 3.27Å; R67-A70 PolarHBondContact O-N 3.39Å; R67-N71 WeakPolarHBondContact O-CB 3.5Å; R67-N71 VanDerWaalsContact O-CG 3.27Å; R67-N71 PolarHBondContact O-N 2.9Å; R67-N71 PolarHBondContact O-OD1 3.39Å
68	A	86.4	Confident	85.2	Confident	14 Å²	14	78.8 Å²	78.8	12%	0.116	40%	0.4	C	S	.	.	H	α-helix	trans	-58.2	-42.9	177	0	0	0	0	0	111.7	A64 R65 N71 A72	A64-A68 WeakPolarHBondContact O-CB 3.49Å; A64-A68 PolarHBondContact O-N 3.34Å; R65-A68 PolarHBondContact O-N 3.5Å; A68-N71 PolarHBondContact O-N 2.98Å; A68-A72 WeakPolarHBondContact O-CB 3.43Å; A68-A72 PolarHBondContact O-N 3.18Å
69	W	81.6	Confident	84	Confident	202 Å²	202	81.5 Å²	81.5	77%	0.765	43%	0.431	S	S	*	.	H	α-helix	trans	-65	-43.1	176.1	-178.1	60.9	0	0	0	113.1	R65 K66 R67 A72 A73	R65-W69 WeakPolarHBondContact O-CB 3.45Å; R65-W69 PolarHBondContact O-N 2.96Å; K66-W69 PolarHBondContact O-N 2.92Å; R67-W69 VanDerWaalsContact C-N 3.3Å; R67-W69 PolarHBondContact O-N 3.27Å; W69-A72 PolarHBondContact O-N 3.41Å; W69-A73 PolarHBondContact O-N 2.88Å
70	A	83.1	Confident	82.7	Confident	47 Å²	47	83.8 Å²	83.8	39%	0.388	45%	0.446	S	S	.	.	H	α-helix	trans	-60.7	-45.7	176.1	0	0	0	0	0	111.3	K66 R67 A73 V74	K66-A70 WeakPolarHBondContact O-CB 3.45Å; K66-A70 PolarHBondContact O-N 2.97Å; R67-A70 PolarHBondContact O-N 3.39Å; A70-A73 WeakPolarHBondContact O-CB 3.37Å; A70-A73 PolarHBondContact O-N 2.87Å; A70-V74 WeakPolarHBondContact O-CG2 3.26Å; A70-V74 PolarHBondContact O-N 2.96Å
71	N	79.7	Confident	80.9	Confident	67 Å²	67	86.3 Å²	86.3	36%	0.358	46%	0.461	S	S	.	.	H	α-helix	trans	-64.1	-45.1	178.3	-67.8	-6	0	0	0	111.5	R67 A68 A73 V74 N75 D84	R67-N71 WeakPolarHBondContact O-CB 3.5Å; R67-N71 VanDerWaalsContact O-CG 3.27Å; R67-N71 PolarHBondContact O-N 2.9Å; R67-N71 PolarHBondContact O-OD1 3.39Å; A68-N71 PolarHBondContact O-N 2.98Å; N71-A73 PolarHBondContact O-N 3Å; N71-V74 PolarHBondContact O-N 3.3Å; N71-V74 VanDerWaalsContact O-N 3.1Å; N71-N75 WeakPolarHBondContact O-CB 3.29Å; N71-N75 PolarHBondContact O-N 2.84Å; N71-N75 PolarHBondContact O-ND2 2.89Å; N71-D84 HydrophobicContact CB-CB 3.98Å
72	A	78	Confident	79.1	Confident	42 Å²	42	86 Å²	86	35%	0.347	46%	0.463	S	S	.	.	H	α-helix	trans	-59.4	-34.7	175.9	0	0	0	0	0	112.7	A68 W69 K76	A68-A72 WeakPolarHBondContact O-CB 3.43Å; A68-A72 PolarHBondContact O-N 3.18Å; W69-A72 PolarHBondContact O-N 3.41Å; A72-K76 WeakPolarHBondContact O-CG 3.3Å; A72-K76 PolarHBondContact O-N 3.34Å
73	A	79.3	Confident	77.6	Confident	43 Å²	43	89.3 Å²	89.3	36%	0.355	48%	0.477	S	S	.	.	H	α-helix	trans	-69.6	-43.1	174.3	0	0	0	0	0	112	W69 A70 N71 K76 I77	W69-A73 PolarHBondContact O-N 2.88Å; A70-A73 WeakPolarHBondContact O-CB 3.37Å; A70-A73 PolarHBondContact O-N 2.87Å; N71-A73 PolarHBondContact O-N 3Å; A73-K76 PolarHBondContact O-N 3.08Å; A73-I77 WeakPolarHBondContact O-CG1 3.46Å; A73-I77 PolarHBondContact O-N 2.93Å
74	V	79.8	Confident	76.3	Confident	66 Å²	66	88.2 Å²	88.2	40%	0.4	47%	0.471	S	S	.	.	H	α-helix	trans	-61.6	-44.7	175.8	172.3	0	0	0	0	111.1	A70 N71 K76 I77 Q78	A70-V74 WeakPolarHBondContact O-CG2 3.26Å; A70-V74 PolarHBondContact O-N 2.96Å; N71-V74 PolarHBondContact O-N 3.3Å; N71-V74 VanDerWaalsContact O-N 3.1Å; V74-K76 VanDerWaalsContact C-N 3.34Å; V74-K76 PolarHBondContact O-N 3.07Å; V74-I77 WeakPolarHBondContact O-CB 3.33Å; V74-I77 PolarHBondContact O-N 3.49Å; V74-Q78 HydrophobicContact CG1-CG 4.21Å; V74-Q78 PolarHBondContact O-N 3.04Å
75	N	75.7	Confident	75.7	Confident	20 Å²	20	90.3 Å²	90.3	11%	0.107	49%	0.486	C	S	.	.	H	α-helix	trans	-61.1	-40.8	179.9	-72.5	-8.8	0	0	0	112.7	N71 I77 Q78 G79 T80 S82	N71-N75 WeakPolarHBondContact O-CB 3.29Å; N71-N75 PolarHBondContact O-N 2.84Å; N71-N75 PolarHBondContact O-ND2 2.89Å; N75-I77 VanDerWaalsContact C-N 3.25Å; N75-I77 PolarHBondContact O-N 3.1Å; N75-Q78 PolarHBondContact O-N 3.32Å; N75-G79 PolarHBondContact O-N 3.39Å; N75-T80 WeakPolarHBondContact CB-O 3.36Å; N75-T80 PolarHBondContact O-N 3.4Å; N75-T80 PolarHBondContact OD1-OG1 3Å; N75-S82 PolarHBondContact ND2-O 3.19Å; N75-S82 PolarHBondContact ND2-OG 3.43Å; N75-S82 PolarHBondContact OD1-OG 2.92Å
76	K	77	Confident	75.8	Confident	184 Å²	184	88.9 Å²	88.9	80%	0.8	48%	0.48	S	S	*	.	H	α-helix	trans	-61.7	-32.4	173.6	-76.5	178.6	-177.6	179.7	0	113.1	A72 A73 V74	A72-K76 WeakPolarHBondContact O-CG 3.3Å; A72-K76 PolarHBondContact O-N 3.34Å; A73-K76 PolarHBondContact O-N 3.08Å; V74-K76 VanDerWaalsContact C-N 3.34Å; V74-K76 PolarHBondContact O-N 3.07Å
77	I	77.2	Confident	75.8	Confident	148 Å²	148	85.5 Å²	85.5	76%	0.759	47%	0.473	S	S	*	.	H	α-helix	trans	-79.6	-41.4	179.2	-65.1	167.2	0	0	0	110.7	A73 V74 N75 G79	A73-I77 WeakPolarHBondContact O-CG1 3.46Å; A73-I77 PolarHBondContact O-N 2.93Å; V74-I77 WeakPolarHBondContact O-CB 3.33Å; V74-I77 PolarHBondContact O-N 3.49Å; N75-I77 VanDerWaalsContact C-N 3.25Å; N75-I77 PolarHBondContact O-N 3.1Å; I77-G79 VanDerWaalsContact C-N 3.29Å; I77-G79 PolarHBondContact O-N 2.79Å
78	Q	77.9	Confident	76.1	Confident	133 Å²	133	78 Å²	78	62%	0.621	44%	0.444	S	S	*	.	H	α-helix	trans	-80	-11	-178.1	-68.2	-175.8	-6.7	0	0	113.3	V74 N75 T80	V74-Q78 HydrophobicContact CG1-CG 4.21Å; V74-Q78 PolarHBondContact O-N 3.04Å; N75-Q78 PolarHBondContact O-N 3.32Å; Q78-T80 HydrophobicContact CB-CG2 4.07Å; Q78-T80 PolarHBondContact O-N 3.05Å
79	G	68.6	Low	76.5	Confident	70 Å²	70	80.9 Å²	80.9	72%	0.722	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.7	14.6	-174.2	0	0	0	0	0	112.9	N75 I77	N75-G79 PolarHBondContact O-N 3.39Å; I77-G79 VanDerWaalsContact C-N 3.29Å; I77-G79 PolarHBondContact O-N 2.79Å
80	T	64.3	Low	77.1	Confident	61 Å²	61	73.4 Å²	73.4	37%	0.374	44%	0.441	S	S	.	.			trans	-88.6	140.9	177	52.8	0	0	0	0	109.4	N75 Q78	N75-T80 WeakPolarHBondContact CB-O 3.36Å; N75-T80 PolarHBondContact O-N 3.4Å; N75-T80 PolarHBondContact OD1-OG1 3Å; Q78-T80 HydrophobicContact CB-CG2 4.07Å; Q78-T80 PolarHBondContact O-N 3.05Å
81	T	57.2	Low	77.7	Confident	140 Å²	140	74.3 Å²	74.3	86%	0.859	44%	0.437	S	S	*	.			trans	-102.2	41.5	175.9	57.8	0	0	0	0	110.8	N83	T81-N83 PolarHBondContact O-N 3.25Å; T81-N83 VanDerWaalsContact O-N 3.13Å
82	S	54.3	Low	78.4	Confident	51 Å²	51	76.6 Å²	76.6	36%	0.357	45%	0.447	S	S	.	.			trans	-62.7	123.7	172	77.7	0	0	0	0	107.5	N75 D84	N75-S82 PolarHBondContact ND2-O 3.19Å; N75-S82 PolarHBondContact ND2-OG 3.43Å; N75-S82 PolarHBondContact OD1-OG 2.92Å; S82-D84 PolarHBondContact O-N 3.45Å; S82-D84 PolarHBondContact OG-OD2 3.34Å
83	N	59.6	Low	79.4	Confident	135 Å²	135	77.8 Å²	77.8	72%	0.722	45%	0.448	S	S	*	.			trans	-79.8	47.8	-177	-166.2	19.5	0	0	0	110.1	T81 S85	T81-N83 PolarHBondContact O-N 3.25Å; T81-N83 VanDerWaalsContact O-N 3.13Å; N83-S85 PolarHBondContact O-N 3.42Å
84	D	63.7	Low	80.3	Confident	81 Å²	81	75.7 Å²	75.7	43%	0.433	43%	0.431	S	S	.	.			trans	-75.5	61.6	177.4	-65.5	-36.6	0	0	0	109.2	N71 S82	N71-D84 HydrophobicContact CB-CB 3.98Å; S82-D84 PolarHBondContact O-N 3.45Å; S82-D84 PolarHBondContact OG-OD2 3.34Å
85	S	79.9	Confident	81.1	Confident	48 Å²	48	75.9 Å²	75.9	34%	0.336	43%	0.429	S	S	.	.			trans	-69.1	174.1	170.1	-167.3	0	0	0	0	109.9	N83 N129	N83-S85 PolarHBondContact O-N 3.42Å; S85-N129 PolarHBondContact OG-ND2 3.33Å; S85-N129 PolarHBondContact OG-OD1 3.29Å
86	Y	90.5	Very high	82.1	Confident	18 Å²	18	77.4 Å²	77.4	7%	0.071	44%	0.441	C	S	.	.			trans	-52.7	131.8	172.2	-174.6	-92.3	0	0	0	110.9	E59 P60 N61 A64 R65 H88	E59-Y86 HydrophobicContact CB-CD2 3.72Å; E59-Y86 HydrophobicContact CB-CE1 4.45Å; E59-Y86 HydrophobicContact CB-CE2 3.59Å; E59-Y86 HydrophobicContact CB-CG 4.21Å; E59-Y86 HydrophobicContact CG-CD1 4.24Å; E59-Y86 HydrophobicContact CG-CD2 3.72Å; E59-Y86 HydrophobicContact CG-CE2 4.11Å; E59-Y86 HydrophobicContact CG-CG 3.78Å; P60-Y86 WeakPolarHBondContact CD-OH 3.31Å; N61-Y86 WeakPolarHBondContact CB-OH 3.4Å; N61-Y86 PolarHBondContact N-OH 2.74Å; A64-Y86 HydrophobicContact CB-CD2 4.3Å; A64-Y86 HydrophobicContact CB-CE2 3.7Å; R65-Y86 HydrophobicContact CB-CD2 4.28Å; R65-Y86 HydrophobicContact CB-CE2 4.12Å; Y86-H88 VanDerWaalsContact C-N 3.27Å; Y86-H88 AromaticContact CD1-CE1 3.54Å; Y86-H88 AromaticContact CD1-CG 3.94Å; Y86-H88 AromaticContact CD1-ND1 3.52Å; Y86-H88 AromaticContact CD1-NE2 3.98Å; Y86-H88 PolarHBondContact O-CD2 3.43Å; Y86-H88 PolarHBondContact O-N 2.99Å
87	P	89.8	Confident	83.1	Confident	66 Å²	66	70.7 Å²	70.7	43%	0.429	41%	0.412	S	S	.	.			trans	-76.2	79.5	-177.9	32	-35.8	0	0	0	110.4	A64	A64-P87 HydrophobicContact CB-CG 3.79Å
88	H	93.5	Very high	84.1	Confident	3 Å²	3	64.6 Å²	64.6	1%	0.014	38%	0.38	C	S	.	.			trans	-61.5	144.2	175.3	-66	-70.1	0	0	0	110.9	Y86 E90 K91 I92 V125 K128 N129	Y86-H88 VanDerWaalsContact C-N 3.27Å; Y86-H88 AromaticContact CD1-CE1 3.54Å; Y86-H88 AromaticContact CD1-CG 3.94Å; Y86-H88 AromaticContact CD1-ND1 3.52Å; Y86-H88 AromaticContact CD1-NE2 3.98Å; Y86-H88 PolarHBondContact O-CD2 3.43Å; Y86-H88 PolarHBondContact O-N 2.99Å; H88-E90 WeakPolarHBondContact CB-OE2 3.43Å; H88-E90 PolarHBondContact O-N 2.94Å; H88-K91 HydrophobicContact CB-CB 4.47Å; H88-K91 WeakPolarHBondContact O-CA 3.4Å; H88-K91 VanDerWaalsContact O-CB 3.25Å; H88-K91 WeakPolarHBondContact O-CB 3.39Å; H88-K91 PolarHBondContact O-N 3.36Å; H88-I92 PolarHBondContact O-N 3.49Å; H88-V125 HydrophobicContact CB-CG2 4.48Å; H88-K128 WeakPolarHBondContact ND1-CD 3.17Å; H88-K128 VanDerWaalsContact ND1-CE 3.32Å; H88-K128 WeakPolarHBondContact ND1-CE 3.12Å; H88-N129 PolarHBondContact CD2-OD1 2.98Å; H88-N129 PolarHBondContact NE2-OD1 3.38Å
89	A	94.8	Very high	84.9	Confident	73 Å²	73	62.8 Å²	62.8	60%	0.603	37%	0.372	S	S	*	.	H	α-helix	trans	-59.7	-36.4	178.4	0	0	0	0	0	111.8	K91 I92 L93	A89-K91 PolarHBondContact O-N 3.48Å; A89-I92 PolarHBondContact O-N 2.89Å; A89-I92 VanDerWaalsContact O-N 3.17Å; A89-L93 PolarHBondContact O-N 3.02Å
90	E	96.1	Very high	86.2	Confident	46 Å²	46	63.8 Å²	63.8	22%	0.215	36%	0.355	C	S	.	.	H	α-helix	trans	-60	-30.4	175	-59.4	92.2	150.6	0	0	112.1	H88 S94 Y121 I124 V125 K128	H88-E90 WeakPolarHBondContact CB-OE2 3.43Å; H88-E90 PolarHBondContact O-N 2.94Å; E90-S94 VanDerWaalsContact O-CB 3.26Å; E90-S94 WeakPolarHBondContact O-CB 3.26Å; E90-S94 PolarHBondContact O-N 3.18Å; E90-Y121 HydrophobicContact CB-CD1 4.08Å; E90-Y121 HydrophobicContact CG-CD1 4.42Å; E90-I124 HydrophobicContact CG-CG2 4.44Å; E90-V125 HydrophobicContact CB-CG2 3.67Å; E90-K128 IonicContact OE1-NZ 2.68Å; E90-K128 PolarHBondContact OE1-NZ 2.89Å; E90-K128 IonicContact OE2-NZ 3.94Å; E90-K128 PolarHBondContact OE2-NZ 3.44Å
91	K	95.3	Very high	87.7	Confident	66 Å²	66	60.9 Å²	60.9	29%	0.287	34%	0.337	S	S	.	.	H	α-helix	trans	-71.3	-43.9	176.3	-178.5	52	178.4	158	0	111.3	H88 A89 L93 S94 D95 N122 V125	H88-K91 HydrophobicContact CB-CB 4.47Å; H88-K91 WeakPolarHBondContact O-CA 3.4Å; H88-K91 VanDerWaalsContact O-CB 3.25Å; H88-K91 WeakPolarHBondContact O-CB 3.39Å; H88-K91 PolarHBondContact O-N 3.36Å; A89-K91 PolarHBondContact O-N 3.48Å; K91-L93 VanDerWaalsContact C-N 3.31Å; K91-L93 PolarHBondContact O-N 3.06Å; K91-S94 WeakPolarHBondContact O-CB 3.37Å; K91-S94 PolarHBondContact O-N 2.95Å; K91-D95 WeakPolarHBondContact CE-OD1 3.39Å; K91-D95 VanDerWaalsContact CE-OD2 3.22Å; K91-D95 WeakPolarHBondContact CE-OD2 3.35Å; K91-D95 IonicContact NZ-OD1 2.77Å; K91-D95 PolarHBondContact NZ-OD1 3.25Å; K91-D95 IonicContact NZ-OD2 3.19Å; K91-D95 PolarHBondContact NZ-OD2 2.94Å; K91-D95 VanDerWaalsContact O-CG 3.31Å; K91-D95 PolarHBondContact O-N 2.96Å; K91-N122 WeakPolarHBondContact CD-OD1 3.41Å; K91-N122 PolarHBondContact NZ-OD1 2.68Å; K91-V125 HydrophobicContact CB-CG1 4.2Å; K91-V125 HydrophobicContact CB-CG2 3.81Å
92	I	94.6	Very high	89.4	Confident	114 Å²	114	61.7 Å²	61.7	59%	0.585	32%	0.324	S	S	*	.	H	α-helix	trans	-60	-45.2	176.8	-57.7	172.4	0	0	0	110	H88 A89 D95 C96	H88-I92 PolarHBondContact O-N 3.49Å; A89-I92 PolarHBondContact O-N 2.89Å; A89-I92 VanDerWaalsContact O-N 3.17Å; I92-D95 PolarHBondContact O-N 2.9Å; I92-C96 WeakPolarHBondContact O-CB 3.34Å; I92-C96 PolarHBondContact O-N 3.27Å
93	L	97.8	Very high	91.2	Very high	67 Å²	67	65.2 Å²	65.2	35%	0.351	34%	0.335	S	S	.	.	H	α-helix	trans	-65.8	-42.1	177.4	-175.8	60.2	0	0	0	112.2	A89 K91 D95 C96 F97 Y121	A89-L93 PolarHBondContact O-N 3.02Å; K91-L93 VanDerWaalsContact C-N 3.31Å; K91-L93 PolarHBondContact O-N 3.06Å; L93-D95 VanDerWaalsContact C-N 3.33Å; L93-D95 PolarHBondContact O-N 2.93Å; L93-C96 WeakPolarHBondContact O-CB 3.34Å; L93-C96 PolarHBondContact O-N 3.41Å; L93-F97 HydrophobicContact CD1-CD2 4.38Å; L93-F97 HydrophobicContact CD1-CE1 4.12Å; L93-F97 HydrophobicContact CD1-CE2 3.87Å; L93-F97 HydrophobicContact CD1-CZ 3.72Å; L93-F97 HydrophobicContact CD2-CE2 3.86Å; L93-F97 HydrophobicContact CD2-CZ 4.14Å; L93-F97 HydrophobicContact CG-CD2 4.01Å; L93-F97 HydrophobicContact CG-CE2 3.52Å; L93-F97 HydrophobicContact CG-CZ 3.89Å; L93-F97 WeakPolarHBondContact O-CD2 3.4Å; L93-F97 WeakPolarHBondContact O-CG 3.4Å; L93-F97 PolarHBondContact O-N 3.36Å; L93-Y121 HydrophobicContact CD2-CD1 4.12Å; L93-Y121 HydrophobicContact CD2-CE1 3.69Å
94	S	97.9	Very high	92.6	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-55.7	-48.2	173.3	169	0	0	0	0	111.9	E90 K91 C96 F97 L98 G118 N122	E90-S94 VanDerWaalsContact O-CB 3.26Å; E90-S94 WeakPolarHBondContact O-CB 3.26Å; E90-S94 PolarHBondContact O-N 3.18Å; K91-S94 WeakPolarHBondContact O-CB 3.37Å; K91-S94 PolarHBondContact O-N 2.95Å; S94-C96 VanDerWaalsContact C-N 3.33Å; S94-C96 PolarHBondContact O-N 3.17Å; S94-F97 PolarHBondContact O-N 3.46Å; S94-L98 WeakPolarHBondContact O-CG 3.22Å; S94-L98 PolarHBondContact O-N 3.21Å; S94-G118 PolarHBondContact OG-O 3.47Å; S94-N122 PolarHBondContact OG-ND2 3.46Å; S94-N122 PolarHBondContact OG-OD1 3.4Å
95	D	96.5	Very high	93.2	Very high	69 Å²	69	62.8 Å²	62.8	37%	0.369	33%	0.329	S	S	.	.	H	α-helix	trans	-65	-40.1	-177.9	-69.6	-25.3	0	0	0	111.2	K91 I92 L93 L98 E99	K91-D95 WeakPolarHBondContact CE-OD1 3.39Å; K91-D95 VanDerWaalsContact CE-OD2 3.22Å; K91-D95 WeakPolarHBondContact CE-OD2 3.35Å; K91-D95 IonicContact NZ-OD1 2.77Å; K91-D95 PolarHBondContact NZ-OD1 3.25Å; K91-D95 IonicContact NZ-OD2 3.19Å; K91-D95 PolarHBondContact NZ-OD2 2.94Å; K91-D95 VanDerWaalsContact O-CG 3.31Å; K91-D95 PolarHBondContact O-N 2.96Å; I92-D95 PolarHBondContact O-N 2.9Å; L93-D95 VanDerWaalsContact C-N 3.33Å; L93-D95 PolarHBondContact O-N 2.93Å; D95-L98 PolarHBondContact O-N 3.46Å; D95-E99 VanDerWaalsContact O-CB 3.29Å; D95-E99 WeakPolarHBondContact O-CB 3.25Å; D95-E99 PolarHBondContact O-N 2.98Å
96	C	97.5	Very high	92.6	Very high	52 Å²	52	67 Å²	67	35%	0.351	34%	0.344	S	S	.	.	H	α-helix	trans	-57.8	-50.1	172.3	179.6	0	0	0	0	112	I92 L93 S94 L98 E99 Y100	I92-C96 WeakPolarHBondContact O-CB 3.34Å; I92-C96 PolarHBondContact O-N 3.27Å; L93-C96 WeakPolarHBondContact O-CB 3.34Å; L93-C96 PolarHBondContact O-N 3.41Å; S94-C96 VanDerWaalsContact C-N 3.33Å; S94-C96 PolarHBondContact O-N 3.17Å; C96-L98 VanDerWaalsContact C-N 3.34Å; C96-L98 PolarHBondContact O-N 3.21Å; C96-E99 PolarHBondContact O-N 3.07Å; C96-Y100 WeakPolarHBondContact O-CD2 3.35Å; C96-Y100 PolarHBondContact O-N 3.44Å
97	F	98.3	Very high	92	Very high	44 Å²	44	73.2 Å²	73.2	19%	0.193	37%	0.373	C	S	.	.	H	α-helix	trans	-59.7	-42.5	177.8	-74.3	-34.6	0	0	0	112.8	L93 S94 G101 L114 C117 Y121	L93-F97 HydrophobicContact CD1-CD2 4.38Å; L93-F97 HydrophobicContact CD1-CE1 4.12Å; L93-F97 HydrophobicContact CD1-CE2 3.87Å; L93-F97 HydrophobicContact CD1-CZ 3.72Å; L93-F97 HydrophobicContact CD2-CE2 3.86Å; L93-F97 HydrophobicContact CD2-CZ 4.14Å; L93-F97 HydrophobicContact CG-CD2 4.01Å; L93-F97 HydrophobicContact CG-CE2 3.52Å; L93-F97 HydrophobicContact CG-CZ 3.89Å; L93-F97 WeakPolarHBondContact O-CD2 3.4Å; L93-F97 WeakPolarHBondContact O-CG 3.4Å; L93-F97 PolarHBondContact O-N 3.36Å; S94-F97 PolarHBondContact O-N 3.46Å; F97-G101 WeakPolarHBondContact O-CA 3.44Å; F97-G101 PolarHBondContact O-N 3.13Å; F97-L114 WeakPolarHBondContact CB-O 3.47Å; F97-L114 HydrophobicContact CD1-CD2 3.63Å; F97-L114 HydrophobicContact CE1-CD2 4.1Å; F97-C117 HydrophobicContact CB-CB 4.4Å; F97-C117 HydrophobicContact CD1-CB 4.41Å; F97-C117 HydrophobicContact CD2-CB 3.54Å; F97-C117 HydrophobicContact CE2-CB 3.75Å; F97-C117 HydrophobicContact CG-CB 3.9Å; F97-C117 HydrophobicContact CZ-CB 4.29Å; F97-Y121 HydrophobicContact CD2-CD2 4.46Å; F97-Y121 HydrophobicContact CE2-CD2 4.12Å; F97-Y121 HydrophobicContact CE2-CE2 4.13Å
98	L	97	Very high	92.1	Very high	19 Å²	19	72 Å²	72	10%	0.099	37%	0.367	C	S	.	.	H	α-helix	trans	-69.4	-39.6	178	-68.8	175	0	0	0	112.5	S94 D95 C96 R102 T115 E119 N122	S94-L98 WeakPolarHBondContact O-CG 3.22Å; S94-L98 PolarHBondContact O-N 3.21Å; D95-L98 PolarHBondContact O-N 3.46Å; C96-L98 VanDerWaalsContact C-N 3.34Å; C96-L98 PolarHBondContact O-N 3.21Å; L98-R102 VanDerWaalsContact O-CG 3.3Å; L98-R102 WeakPolarHBondContact O-CG 3.48Å; L98-R102 PolarHBondContact O-N 3.23Å; L98-R102 VanDerWaalsContact O-N 3.12Å; L98-T115 HydrophobicContact CD2-CG2 4.27Å; L98-E119 HydrophobicContact CD2-CG 4.32Å; L98-N122 VanDerWaalsContact CD1-ND2 3.34Å; L98-N122 WeakPolarHBondContact CD1-ND2 3.18Å
99	E	95.9	Very high	92	Very high	96 Å²	96	73.7 Å²	73.7	45%	0.449	38%	0.375	S	S	.	.	H	α-helix	trans	-61.9	-55.9	178.6	179.4	174.7	-176.5	0	0	110.7	D95 C96 G101 R102 Q103	D95-E99 VanDerWaalsContact O-CB 3.29Å; D95-E99 WeakPolarHBondContact O-CB 3.25Å; D95-E99 PolarHBondContact O-N 2.98Å; C96-E99 PolarHBondContact O-N 3.07Å; E99-G101 VanDerWaalsContact C-N 3.34Å; E99-G101 PolarHBondContact O-N 2.85Å; E99-R102 PolarHBondContact O-N 2.93Å; E99-Q103 VanDerWaalsContact CG-NE2 3.32Å; E99-Q103 WeakPolarHBondContact O-CG 3.48Å; E99-Q103 PolarHBondContact O-N 3.02Å; E99-Q103 PolarHBondContact OE1-NE2 3.5Å; E99-Q103 VanDerWaalsContact OE1-NE2 3.1Å
100	Y	96	Very high	92	Very high	91 Å²	91	75.4 Å²	75.4	36%	0.357	37%	0.374	S	S	.	.	H	α-helix	trans	-70.4	-31.6	-179.9	-72.2	-67.6	0	0	0	112.6	C96 R102 Q103 L104 Y301	C96-Y100 WeakPolarHBondContact O-CD2 3.35Å; C96-Y100 PolarHBondContact O-N 3.44Å; Y100-R102 VanDerWaalsContact C-N 3.25Å; Y100-R102 PolarHBondContact O-N 3.48Å; Y100-Q103 PolarHBondContact O-N 3.46Å; Y100-L104 WeakPolarHBondContact O-CB 3.47Å; Y100-L104 VanDerWaalsContact O-CG 3.3Å; Y100-L104 WeakPolarHBondContact O-CG 3.42Å; Y100-L104 PolarHBondContact O-N 2.75Å; Y100-Y301 PolarHBondContact OH-OH 3.41Å
101	G	95	Very high	92	Very high	0 Å²	0	73.3 Å²	73.3	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-54.7	-41.9	170.2	0	0	0	0	0	112.1	F97 E99 S111	F97-G101 WeakPolarHBondContact O-CA 3.44Å; F97-G101 PolarHBondContact O-N 3.13Å; E99-G101 VanDerWaalsContact C-N 3.34Å; E99-G101 PolarHBondContact O-N 2.85Å; G101-S111 WeakPolarHBondContact O-CB 3.42Å; G101-S111 PolarHBondContact O-OG 3.02Å
102	R	92.7	Very high	91.9	Very high	157 Å²	157	72.6 Å²	72.6	59%	0.592	36%	0.364	S	S	*	.	H	α-helix	trans	-75.5	-35.1	176.9	-68.2	178.3	-148.2	127.3	0.7	114	L98 E99 Y100	L98-R102 VanDerWaalsContact O-CG 3.3Å; L98-R102 WeakPolarHBondContact O-CG 3.48Å; L98-R102 PolarHBondContact O-N 3.23Å; L98-R102 VanDerWaalsContact O-N 3.12Å; E99-R102 PolarHBondContact O-N 2.93Å; Y100-R102 VanDerWaalsContact C-N 3.25Å; Y100-R102 PolarHBondContact O-N 3.48Å
103	Q	92.7	Very high	92.1	Very high	125 Å²	125	68 Å²	68	58%	0.584	34%	0.343	S	S	*	.	H	α-helix	trans	-76	-32.7	-176.6	-71.5	-177.4	22.2	0	0	112.9	E99 Y100	E99-Q103 VanDerWaalsContact CG-NE2 3.32Å; E99-Q103 WeakPolarHBondContact O-CG 3.48Å; E99-Q103 PolarHBondContact O-N 3.02Å; E99-Q103 PolarHBondContact OE1-NE2 3.5Å; E99-Q103 VanDerWaalsContact OE1-NE2 3.1Å; Y100-Q103 PolarHBondContact O-N 3.46Å
104	L	89.4	Confident	92.1	Very high	69 Å²	69	66.4 Å²	66.4	36%	0.361	33%	0.334	S	S	.	.	S	Bend	trans	-64.3	160.5	171.5	-69.6	178.2	0	0	0	110.5	Y100 Q106 L110 L114	Y100-L104 WeakPolarHBondContact O-CB 3.47Å; Y100-L104 VanDerWaalsContact O-CG 3.3Å; Y100-L104 WeakPolarHBondContact O-CG 3.42Å; Y100-L104 PolarHBondContact O-N 2.75Å; L104-Q106 PolarHBondContact O-N 3.37Å; L104-L110 HydrophobicContact CD1-CD2 4.03Å; L104-L110 HydrophobicContact CD1-CG 4.06Å; L104-L114 HydrophobicContact CD1-CD1 3.53Å
105	S	75.4	Confident	92	Very high	95 Å²	95	68.1 Å²	68.1	66%	0.664	35%	0.345	S	S	*	.			trans	-48.1	119.5	176	-179.3	0	0	0	0	109	Q107 S108 S111	S105-Q107 PolarHBondContact O-N 2.85Å; S105-S108 PolarHBondContact O-N 2.86Å; S105-S108 PolarHBondContact O-OG 2.87Å; S105-S108 VanDerWaalsContact O-OG 3.05Å; S105-S111 VanDerWaalsContact O-CB 3.28Å; S105-S111 WeakPolarHBondContact O-CB 3.41Å
106	Q	68.9	Low	92.1	Very high	138 Å²	138	67.4 Å²	67.4	65%	0.645	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-1.2	-155.9	-148	148.8	26.8	0	0	114.2	L104	L104-Q106 PolarHBondContact O-N 3.37Å
107	Q	77.7	Confident	92.1	Very high	148 Å²	148	65.8 Å²	65.8	69%	0.692	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-138.1	12.1	-177.8	-60.9	-60.1	-36.4	0	0	112.9	S105	S105-Q107 PolarHBondContact O-N 2.85Å
108	S	90.3	Very high	92.1	Very high	41 Å²	41	63.7 Å²	63.7	29%	0.287	32%	0.319	S	S	.	.			trans	-69	145	170.1	62.8	0	0	0	0	109.9	S105 L110 S111 L112	S105-S108 PolarHBondContact O-N 2.86Å; S105-S108 PolarHBondContact O-OG 2.87Å; S105-S108 VanDerWaalsContact O-OG 3.05Å; S108-L110 PolarHBondContact O-N 3.5Å; S108-L110 VanDerWaalsContact O-N 3.15Å; S108-S111 WeakPolarHBondContact O-CB 3.43Å; S108-S111 PolarHBondContact O-N 2.86Å; S108-S111 WeakPolarHBondContact OG-CB 3.49Å; S108-S111 PolarHBondContact OG-N 2.95Å; S108-L112 PolarHBondContact O-N 3.38Å
109	D	92.6	Very high	92.2	Very high	37 Å²	37	67.6 Å²	67.6	20%	0.198	34%	0.337	C	S	.	.	H	α-helix	trans	-55.6	-35.4	177.9	-67.3	-61.4	0	0	0	111.6	L112 A113 R246 A250 H253	D109-L112 PolarHBondContact O-N 3.13Å; D109-A113 WeakPolarHBondContact O-CB 3.44Å; D109-A113 PolarHBondContact O-N 2.86Å; D109-R246 HydrophobicContact CB-CG 4.43Å; D109-R246 VanDerWaalsContact O-CD 3.25Å; D109-R246 WeakPolarHBondContact O-CD 3.47Å; D109-A250 HydrophobicContact CB-CB 3.7Å; D109-A250 VanDerWaalsContact OD2-CA 3.32Å; D109-A250 WeakPolarHBondContact OD2-CA 3.27Å; D109-A250 WeakPolarHBondContact OD2-CB 3.25Å; D109-H253 IonicContact OD1-CE1 3.79Å; D109-H253 IonicContact OD1-ND1 3.47Å; D109-H253 PolarHBondContact OD1-ND1 3.32Å; D109-H253 IonicContact OD2-CG 3.85Å; D109-H253 IonicContact OD2-ND1 3.13Å; D109-H253 PolarHBondContact OD2-ND1 2.85Å; D109-H253 VanDerWaalsContact OD2-ND1 3.13Å
110	L	94.1	Very high	92.3	Very high	109 Å²	109	63.4 Å²	63.4	57%	0.571	32%	0.318	S	S	*	.	H	α-helix	trans	-66.8	-43.9	174.7	-179	61.1	0	0	0	113	L104 S108 L112 A113 L114	L104-L110 HydrophobicContact CD1-CD2 4.03Å; L104-L110 HydrophobicContact CD1-CG 4.06Å; S108-L110 PolarHBondContact O-N 3.5Å; S108-L110 VanDerWaalsContact O-N 3.15Å; L110-L112 VanDerWaalsContact C-N 3.28Å; L110-L112 PolarHBondContact O-N 3.36Å; L110-A113 WeakPolarHBondContact O-CB 3.41Å; L110-A113 PolarHBondContact O-N 3.02Å; L110-L114 HydrophobicContact CD1-CD1 4.3Å; L110-L114 HydrophobicContact CD1-CG 4.2Å; L110-L114 HydrophobicContact CG-CD1 4.08Å; L110-L114 HydrophobicContact CG-CG 4.45Å; L110-L114 WeakPolarHBondContact O-CB 3.22Å; L110-L114 WeakPolarHBondContact O-CG 3.36Å; L110-L114 PolarHBondContact O-N 3.4Å
111	S	96.1	Very high	92.5	Very high	3 Å²	3	61.9 Å²	61.9	2%	0.021	31%	0.312	C	S	.	.	H	α-helix	trans	-56.8	-44.4	175.7	161.9	0	0	0	0	111.2	G101 S105 S108 L114 T115	G101-S111 WeakPolarHBondContact O-CB 3.42Å; G101-S111 PolarHBondContact O-OG 3.02Å; S105-S111 VanDerWaalsContact O-CB 3.28Å; S105-S111 WeakPolarHBondContact O-CB 3.41Å; S108-S111 WeakPolarHBondContact O-CB 3.43Å; S108-S111 PolarHBondContact O-N 2.86Å; S108-S111 WeakPolarHBondContact OG-CB 3.49Å; S108-S111 PolarHBondContact OG-N 2.95Å; S111-L114 PolarHBondContact O-N 3.4Å; S111-T115 WeakPolarHBondContact O-CB 3.28Å; S111-T115 PolarHBondContact O-N 2.96Å; S111-T115 PolarHBondContact O-OG1 3.42Å
112	L	94.6	Very high	92.6	Very high	51 Å²	51	63.4 Å²	63.4	27%	0.267	32%	0.321	S	S	.	.	H	α-helix	trans	-69	-38	178.1	-62.1	174.9	0	0	0	112.1	S108 D109 L110 T115 Q116 R246	S108-L112 PolarHBondContact O-N 3.38Å; D109-L112 PolarHBondContact O-N 3.13Å; L110-L112 VanDerWaalsContact C-N 3.28Å; L110-L112 PolarHBondContact O-N 3.36Å; L112-T115 PolarHBondContact O-N 3.25Å; L112-Q116 WeakPolarHBondContact O-CG 3.32Å; L112-Q116 PolarHBondContact O-N 3.42Å; L112-R246 VanDerWaalsContact CB-CZ 3.43Å; L112-R246 VanDerWaalsContact CB-NH1 3.28Å
113	A	97	Very high	92.9	Very high	18 Å²	18	61.3 Å²	61.3	15%	0.149	32%	0.316	C	S	.	.	H	α-helix	trans	-62.3	-47.3	174.6	0	0	0	0	0	111.7	D109 L110 T115 Q116 C117 L243	D109-A113 WeakPolarHBondContact O-CB 3.44Å; D109-A113 PolarHBondContact O-N 2.86Å; L110-A113 WeakPolarHBondContact O-CB 3.41Å; L110-A113 PolarHBondContact O-N 3.02Å; A113-T115 VanDerWaalsContact C-N 3.33Å; A113-T115 PolarHBondContact O-N 2.97Å; A113-Q116 WeakPolarHBondContact O-CB 3.35Å; A113-Q116 PolarHBondContact O-N 2.86Å; A113-C117 PolarHBondContact O-N 3.2Å; A113-C117 PolarHBondContact O-SG 2.76Å; A113-C117 VanDerWaalsContact O-SG 3.34Å; A113-L243 HydrophobicContact CB-CD2 3.74Å
114	L	97.9	Very high	93.2	Very high	32 Å²	32	55.7 Å²	55.7	17%	0.168	29%	0.29	C	S	.	.	H	α-helix	trans	-61.1	-44	176.4	-71.8	167.6	0	0	0	110.8	F97 L104 L110 S111 Q116 C117 G118	F97-L114 WeakPolarHBondContact CB-O 3.47Å; F97-L114 HydrophobicContact CD1-CD2 3.63Å; F97-L114 HydrophobicContact CE1-CD2 4.1Å; L104-L114 HydrophobicContact CD1-CD1 3.53Å; L110-L114 HydrophobicContact CD1-CD1 4.3Å; L110-L114 HydrophobicContact CD1-CG 4.2Å; L110-L114 HydrophobicContact CG-CD1 4.08Å; L110-L114 HydrophobicContact CG-CG 4.45Å; L110-L114 WeakPolarHBondContact O-CB 3.22Å; L110-L114 WeakPolarHBondContact O-CG 3.36Å; L110-L114 PolarHBondContact O-N 3.4Å; S111-L114 PolarHBondContact O-N 3.4Å; L114-Q116 VanDerWaalsContact C-N 3.31Å; L114-Q116 PolarHBondContact O-N 3.33Å; L114-C117 WeakPolarHBondContact O-CB 3.5Å; L114-C117 PolarHBondContact O-N 2.89Å; L114-G118 PolarHBondContact O-N 2.84Å
115	T	96.7	Very high	93.5	Very high	36 Å²	36	53 Å²	53	22%	0.221	28%	0.276	C	S	.	.	H	α-helix	trans	-58.2	-44.6	175.6	-56.1	0	0	0	0	111.2	L98 S111 L112 A113 C117 G118 E119	L98-T115 HydrophobicContact CD2-CG2 4.27Å; S111-T115 WeakPolarHBondContact O-CB 3.28Å; S111-T115 PolarHBondContact O-N 2.96Å; S111-T115 PolarHBondContact O-OG1 3.42Å; L112-T115 PolarHBondContact O-N 3.25Å; A113-T115 VanDerWaalsContact C-N 3.33Å; A113-T115 PolarHBondContact O-N 2.97Å; T115-C117 PolarHBondContact O-N 3.23Å; T115-G118 PolarHBondContact O-N 3.48Å; T115-E119 WeakPolarHBondContact O-CG 3.35Å; T115-E119 PolarHBondContact O-N 3.06Å
116	Q	97.5	Very high	94.5	Very high	55 Å²	55	54.3 Å²	54.3	26%	0.257	27%	0.272	S	S	.	.	H	α-helix	trans	-61.9	-43	175.3	-75.3	177.9	-38.9	0	0	112.8	L112 A113 L114 G118 E119 A120 L239	L112-Q116 WeakPolarHBondContact O-CG 3.32Å; L112-Q116 PolarHBondContact O-N 3.42Å; A113-Q116 WeakPolarHBondContact O-CB 3.35Å; A113-Q116 PolarHBondContact O-N 2.86Å; L114-Q116 VanDerWaalsContact C-N 3.31Å; L114-Q116 PolarHBondContact O-N 3.33Å; Q116-G118 VanDerWaalsContact C-N 3.35Å; Q116-E119 PolarHBondContact O-N 2.78Å; Q116-A120 WeakPolarHBondContact O-CB 3.36Å; Q116-A120 PolarHBondContact O-N 3.49Å; Q116-L239 HydrophobicContact CB-CD1 4.09Å
117	C	98.8	Very high	95.9	Very high	18 Å²	18	48.2 Å²	48.2	12%	0.122	25%	0.245	C	C	.	.	H	α-helix	trans	-59.5	-46.8	174.7	-69.3	0	0	0	0	111.1	F97 A113 L114 T115 E119 A120 Y121	F97-C117 HydrophobicContact CB-CB 4.4Å; F97-C117 HydrophobicContact CD1-CB 4.41Å; F97-C117 HydrophobicContact CD2-CB 3.54Å; F97-C117 HydrophobicContact CE2-CB 3.75Å; F97-C117 HydrophobicContact CG-CB 3.9Å; F97-C117 HydrophobicContact CZ-CB 4.29Å; A113-C117 PolarHBondContact O-N 3.2Å; A113-C117 PolarHBondContact O-SG 2.76Å; A113-C117 VanDerWaalsContact O-SG 3.34Å; L114-C117 WeakPolarHBondContact O-CB 3.5Å; L114-C117 PolarHBondContact O-N 2.89Å; T115-C117 PolarHBondContact O-N 3.23Å; C117-E119 PolarHBondContact O-N 3.24Å; C117-A120 PolarHBondContact O-N 2.89Å; C117-Y121 VanDerWaalsContact O-CD2 3.31Å; C117-Y121 WeakPolarHBondContact O-CD2 3.43Å; C117-Y121 PolarHBondContact O-N 3.48Å
118	G	98.6	Very high	96.8	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-59.2	-47.6	177.7	0	0	0	0	0	112.8	S94 L114 T115 Q116 A120 Y121 N122	S94-G118 PolarHBondContact OG-O 3.47Å; L114-G118 PolarHBondContact O-N 2.84Å; T115-G118 PolarHBondContact O-N 3.48Å; Q116-G118 VanDerWaalsContact C-N 3.35Å; G118-A120 VanDerWaalsContact C-N 3.34Å; G118-A120 PolarHBondContact O-N 3.13Å; G118-Y121 PolarHBondContact O-N 2.65Å; G118-N122 PolarHBondContact O-N 2.89Å
119	E	98.4	Very high	97	Very high	100 Å²	100	42.3 Å²	42.3	47%	0.467	21%	0.212	S	C	.	.	H	α-helix	trans	-61.2	-40.9	176.5	-71.3	176.1	-177.6	0	0	112.9	L98 T115 Q116 C117 K123	L98-E119 HydrophobicContact CD2-CG 4.32Å; T115-E119 WeakPolarHBondContact O-CG 3.35Å; T115-E119 PolarHBondContact O-N 3.06Å; Q116-E119 PolarHBondContact O-N 2.78Å; C117-E119 PolarHBondContact O-N 3.24Å; E119-K123 WeakPolarHBondContact O-CG 3.5Å; E119-K123 PolarHBondContact O-N 2.98Å
120	A	98.9	Very high	97.2	Very high	8 Å²	8	45.3 Å²	45.3	7%	0.066	23%	0.225	C	C	.	.	H	α-helix	trans	-65.8	-45.3	177.4	0	0	0	0	0	112.1	Q116 C117 G118 N122 K123 I124 I235 L239	Q116-A120 WeakPolarHBondContact O-CB 3.36Å; Q116-A120 PolarHBondContact O-N 3.49Å; C117-A120 PolarHBondContact O-N 2.89Å; G118-A120 VanDerWaalsContact C-N 3.34Å; G118-A120 PolarHBondContact O-N 3.13Å; A120-N122 VanDerWaalsContact C-N 3.34Å; A120-N122 PolarHBondContact O-N 3.35Å; A120-K123 WeakPolarHBondContact O-CB 3.46Å; A120-K123 PolarHBondContact O-N 3.49Å; A120-K123 VanDerWaalsContact O-N 3.13Å; A120-I124 PolarHBondContact O-N 3.36Å; A120-I235 HydrophobicContact CB-CG2 3.89Å; A120-I235 WeakPolarHBondContact O-CG2 3.37Å; A120-L239 HydrophobicContact CB-CB 4.02Å; A120-L239 HydrophobicContact CB-CD1 4.04Å; A120-L239 HydrophobicContact CB-CD2 3.8Å; A120-L239 HydrophobicContact CB-CG 4.16Å
121	Y	98.7	Very high	97.3	Very high	59 Å²	59	40.4 Å²	40.4	23%	0.231	20%	0.2	C	C	.	.	H	α-helix	trans	-67.2	-33.5	178.2	-86.8	-102.8	0	0	0	112.5	E90 L93 F97 C117 G118 K123 I124 V125 L236 L239	E90-Y121 HydrophobicContact CB-CD1 4.08Å; E90-Y121 HydrophobicContact CG-CD1 4.42Å; L93-Y121 HydrophobicContact CD2-CD1 4.12Å; L93-Y121 HydrophobicContact CD2-CE1 3.69Å; F97-Y121 HydrophobicContact CD2-CD2 4.46Å; F97-Y121 HydrophobicContact CE2-CD2 4.12Å; F97-Y121 HydrophobicContact CE2-CE2 4.13Å; C117-Y121 VanDerWaalsContact O-CD2 3.31Å; C117-Y121 WeakPolarHBondContact O-CD2 3.43Å; C117-Y121 PolarHBondContact O-N 3.48Å; G118-Y121 PolarHBondContact O-N 2.65Å; Y121-K123 VanDerWaalsContact C-N 3.33Å; Y121-K123 PolarHBondContact O-N 3.05Å; Y121-I124 WeakPolarHBondContact O-CB 3.48Å; Y121-I124 PolarHBondContact O-N 2.94Å; Y121-V125 WeakPolarHBondContact O-CG2 3.4Å; Y121-V125 PolarHBondContact O-N 3.39Å; Y121-L236 HydrophobicContact CE2-CD2 4.33Å; Y121-L239 HydrophobicContact CE2-CD2 4.43Å
122	N	97.9	Very high	97.3	Very high	33 Å²	33	40.4 Å²	40.4	18%	0.176	20%	0.2	C	C	.	.	H	α-helix	trans	-58.7	-43.5	168.8	-89.9	-37.5	0	0	0	112	K91 S94 L98 G118 A120 I124 V125 E126	K91-N122 WeakPolarHBondContact CD-OD1 3.41Å; K91-N122 PolarHBondContact NZ-OD1 2.68Å; S94-N122 PolarHBondContact OG-ND2 3.46Å; S94-N122 PolarHBondContact OG-OD1 3.4Å; L98-N122 VanDerWaalsContact CD1-ND2 3.34Å; L98-N122 WeakPolarHBondContact CD1-ND2 3.18Å; G118-N122 PolarHBondContact O-N 2.89Å; A120-N122 VanDerWaalsContact C-N 3.34Å; A120-N122 PolarHBondContact O-N 3.35Å; N122-I124 VanDerWaalsContact C-N 3.3Å; N122-I124 PolarHBondContact O-N 3.34Å; N122-V125 WeakPolarHBondContact O-CB 3.47Å; N122-V125 PolarHBondContact O-N 2.83Å; N122-V125 VanDerWaalsContact O-N 3.13Å; N122-E126 WeakPolarHBondContact O-CG 3.5Å; N122-E126 PolarHBondContact O-N 3.28Å
123	K	98.6	Very high	97.3	Very high	112 Å²	112	42.7 Å²	42.7	49%	0.487	21%	0.212	S	C	.	.	H	α-helix	trans	-62.8	-36.3	176	-67.2	169.8	-175.9	172	0	112.2	E119 A120 Y121 V125 E126 S127 I235	E119-K123 WeakPolarHBondContact O-CG 3.5Å; E119-K123 PolarHBondContact O-N 2.98Å; A120-K123 WeakPolarHBondContact O-CB 3.46Å; A120-K123 PolarHBondContact O-N 3.49Å; A120-K123 VanDerWaalsContact O-N 3.13Å; Y121-K123 VanDerWaalsContact C-N 3.33Å; Y121-K123 PolarHBondContact O-N 3.05Å; K123-V125 VanDerWaalsContact C-N 3.35Å; K123-E126 PolarHBondContact O-N 3.28Å; K123-S127 PolarHBondContact O-N 3.08Å; K123-I235 HydrophobicContact CB-CD1 3.76Å; K123-I235 HydrophobicContact CB-CG1 4.33Å; K123-I235 HydrophobicContact CB-CG2 4.4Å
124	I	98.7	Very high	97.3	Very high	8 Å²	8	45 Å²	45	4%	0.041	22%	0.22	C	C	.	.	H	α-helix	trans	-62.9	-43.7	173.5	-65.8	172.6	0	0	0	110.2	E90 A120 Y121 N122 E126 S127 K128 F228 A232 I235 L236	E90-I124 HydrophobicContact CG-CG2 4.44Å; A120-I124 PolarHBondContact O-N 3.36Å; Y121-I124 WeakPolarHBondContact O-CB 3.48Å; Y121-I124 PolarHBondContact O-N 2.94Å; N122-I124 VanDerWaalsContact C-N 3.3Å; N122-I124 PolarHBondContact O-N 3.34Å; I124-E126 PolarHBondContact O-N 3.24Å; I124-S127 PolarHBondContact O-N 3.44Å; I124-K128 WeakPolarHBondContact O-CB 3.1Å; I124-K128 PolarHBondContact O-N 2.75Å; I124-F228 HydrophobicContact CG2-CE2 4.03Å; I124-F228 HydrophobicContact CG2-CZ 4.35Å; I124-A232 HydrophobicContact CG2-CB 4.39Å; I124-I235 HydrophobicContact CD1-CG2 4.23Å; I124-I235 HydrophobicContact CG1-CB 4.17Å; I124-I235 HydrophobicContact CG1-CD1 4.03Å; I124-I235 HydrophobicContact CG1-CG2 3.84Å; I124-L236 HydrophobicContact CD1-CD1 4.43Å; I124-L236 HydrophobicContact CD1-CD2 3.82Å; I124-L236 HydrophobicContact CD1-CG 3.9Å
125	V	96.9	Very high	97.4	Very high	11 Å²	11	43.5 Å²	43.5	7%	0.067	21%	0.212	C	C	.	.	H	α-helix	trans	-62.3	-42.1	176.8	172.2	0	0	0	0	111.6	H88 E90 K91 Y121 N122 K123 K128 N129	H88-V125 HydrophobicContact CB-CG2 4.48Å; E90-V125 HydrophobicContact CB-CG2 3.67Å; K91-V125 HydrophobicContact CB-CG1 4.2Å; K91-V125 HydrophobicContact CB-CG2 3.81Å; Y121-V125 WeakPolarHBondContact O-CG2 3.4Å; Y121-V125 PolarHBondContact O-N 3.39Å; N122-V125 WeakPolarHBondContact O-CB 3.47Å; N122-V125 PolarHBondContact O-N 2.83Å; N122-V125 VanDerWaalsContact O-N 3.13Å; K123-V125 VanDerWaalsContact C-N 3.35Å; V125-K128 PolarHBondContact O-N 3.1Å; V125-N129 WeakPolarHBondContact O-CB 3.29Å; V125-N129 VanDerWaalsContact O-CG 3.32Å; V125-N129 PolarHBondContact O-N 3.33Å; V125-N129 PolarHBondContact O-ND2 3.43Å
126	E	95.8	Very high	97.3	Very high	124 Å²	124	45.5 Å²	45.5	58%	0.579	22%	0.218	S	C	*	.	H	α-helix	trans	-59.6	-49.4	175.2	-71.4	169.8	-179.1	0	0	111.5	N122 K123 I124 K128 N129 Q130	N122-E126 WeakPolarHBondContact O-CG 3.5Å; N122-E126 PolarHBondContact O-N 3.28Å; K123-E126 PolarHBondContact O-N 3.28Å; I124-E126 PolarHBondContact O-N 3.24Å; E126-K128 VanDerWaalsContact C-N 3.32Å; E126-K128 PolarHBondContact O-N 2.9Å; E126-N129 PolarHBondContact O-N 3.43Å; E126-Q130 PolarHBondContact O-N 2.94Å
127	S	97.5	Very high	97.2	Very high	10 Å²	10	46.5 Å²	46.5	7%	0.07	23%	0.231	C	C	.	.	H	α-helix	trans	-62.2	-38.7	176.4	-178.6	0	0	0	0	112.1	K123 I124 Q130 S131 D231	K123-S127 PolarHBondContact O-N 3.08Å; I124-S127 PolarHBondContact O-N 3.44Å; S127-Q130 WeakPolarHBondContact O-CB 3.26Å; S127-Q130 PolarHBondContact O-N 2.91Å; S127-S131 PolarHBondContact O-N 3.32Å; S127-D231 VanDerWaalsContact OG-CB 3.26Å; S127-D231 WeakPolarHBondContact OG-CB 3.18Å; S127-D231 PolarHBondContact OG-OD2 2.88Å
128	K	97	Very high	97	Very high	43 Å²	43	46.5 Å²	46.5	19%	0.187	23%	0.234	C	C	.	.	H	α-helix	trans	-62.5	-47.1	175.3	-165.7	170.4	-177.6	175	0	111.6	H88 E90 I124 V125 E126 Q130 S131 V132 F228	H88-K128 WeakPolarHBondContact ND1-CD 3.17Å; H88-K128 VanDerWaalsContact ND1-CE 3.32Å; H88-K128 WeakPolarHBondContact ND1-CE 3.12Å; E90-K128 IonicContact OE1-NZ 2.68Å; E90-K128 PolarHBondContact OE1-NZ 2.89Å; E90-K128 IonicContact OE2-NZ 3.94Å; E90-K128 PolarHBondContact OE2-NZ 3.44Å; I124-K128 WeakPolarHBondContact O-CB 3.1Å; I124-K128 PolarHBondContact O-N 2.75Å; V125-K128 PolarHBondContact O-N 3.1Å; E126-K128 VanDerWaalsContact C-N 3.32Å; E126-K128 PolarHBondContact O-N 2.9Å; K128-Q130 VanDerWaalsContact C-N 3.31Å; K128-Q130 PolarHBondContact O-N 3.28Å; K128-S131 PolarHBondContact O-N 2.95Å; K128-V132 VanDerWaalsContact O-CG2 3.31Å; K128-V132 WeakPolarHBondContact O-CG2 3.44Å; K128-V132 PolarHBondContact O-N 3.23Å; K128-F228 HydrophobicContact CB-CD2 3.94Å; K128-F228 HydrophobicContact CB-CE2 3.47Å; K128-F228 VanDerWaalsContact CB-CE2 3.47Å; K128-F228 HydrophobicContact CB-CZ 3.94Å; K128-F228 HydrophobicContact CD-CE2 4.33Å; K128-F228 HydrophobicContact CD-CZ 3.96Å; K128-F228 HydrophobicContact CG-CD2 4.45Å; K128-F228 HydrophobicContact CG-CE1 4.4Å; K128-F228 HydrophobicContact CG-CE2 3.93Å; K128-F228 HydrophobicContact CG-CZ 3.9Å
129	N	95.1	Very high	97	Very high	22 Å²	22	46.8 Å²	46.8	12%	0.118	24%	0.235	C	C	.	.	H	α-helix	trans	-60.3	-42.2	176.5	-74.4	-33.7	0	0	0	111.5	S85 H88 V125 E126 S131 V132 D133	S85-N129 PolarHBondContact OG-ND2 3.33Å; S85-N129 PolarHBondContact OG-OD1 3.29Å; H88-N129 PolarHBondContact CD2-OD1 2.98Å; H88-N129 PolarHBondContact NE2-OD1 3.38Å; V125-N129 WeakPolarHBondContact O-CB 3.29Å; V125-N129 VanDerWaalsContact O-CG 3.32Å; V125-N129 PolarHBondContact O-N 3.33Å; V125-N129 PolarHBondContact O-ND2 3.43Å; E126-N129 PolarHBondContact O-N 3.43Å; N129-S131 PolarHBondContact O-N 2.9Å; N129-V132 WeakPolarHBondContact O-CB 3.5Å; N129-V132 PolarHBondContact O-N 2.98Å; N129-D133 PolarHBondContact O-N 2.97Å
130	Q	96	Very high	97	Very high	100 Å²	100	42.7 Å²	42.7	47%	0.467	22%	0.216	S	C	.	.	H	α-helix	trans	-59.1	-47	174.5	-179.6	179.4	-13	0	0	111.8	E126 S127 K128 V132 D133 E134	E126-Q130 PolarHBondContact O-N 2.94Å; S127-Q130 WeakPolarHBondContact O-CB 3.26Å; S127-Q130 PolarHBondContact O-N 2.91Å; K128-Q130 VanDerWaalsContact C-N 3.31Å; K128-Q130 PolarHBondContact O-N 3.28Å; Q130-V132 VanDerWaalsContact C-N 3.3Å; Q130-V132 PolarHBondContact O-N 2.98Å; Q130-D133 PolarHBondContact O-N 3.47Å; Q130-D133 VanDerWaalsContact O-N 3.12Å; Q130-E134 HydrophobicContact CG-CG 4.44Å; Q130-E134 WeakPolarHBondContact CG-OE1 3.44Å; Q130-E134 PolarHBondContact NE2-OE1 3.47Å; Q130-E134 WeakPolarHBondContact O-CG 3.49Å; Q130-E134 PolarHBondContact O-N 3.06Å
131	S	97.5	Very high	96.9	Very high	5 Å²	5	48 Å²	48	4%	0.035	24%	0.238	C	C	.	.	H	α-helix	trans	-62.9	-35.7	177.5	179.1	0	0	0	0	113.2	S127 K128 N129 T135 A224 Q225	S127-S131 PolarHBondContact O-N 3.32Å; K128-S131 PolarHBondContact O-N 2.95Å; N129-S131 PolarHBondContact O-N 2.9Å; S131-T135 VanDerWaalsContact O-CB 3.31Å; S131-T135 WeakPolarHBondContact O-CB 3.31Å; S131-T135 PolarHBondContact O-N 2.79Å; S131-T135 PolarHBondContact O-OG1 3.01Å; S131-A224 WeakPolarHBondContact CB-O 3.41Å; S131-A224 VanDerWaalsContact OG-C 3.26Å; S131-A224 PolarHBondContact OG-O 2.77Å; S131-Q225 PolarHBondContact OG-NE2 3.07Å
132	V	96.3	Very high	96.9	Very high	4 Å²	4	47.9 Å²	47.9	2%	0.024	24%	0.241	C	C	.	.	H	α-helix	trans	-62.3	-44.9	172.2	170.9	0	0	0	0	110.7	L58 K128 N129 Q130 T135 K136	L58-V132 HydrophobicContact CB-CG2 4.14Å; L58-V132 HydrophobicContact CD1-CG1 4.48Å; L58-V132 HydrophobicContact CD2-CG2 4.14Å; L58-V132 HydrophobicContact CG-CG2 4.5Å; K128-V132 VanDerWaalsContact O-CG2 3.31Å; K128-V132 WeakPolarHBondContact O-CG2 3.44Å; K128-V132 PolarHBondContact O-N 3.23Å; N129-V132 WeakPolarHBondContact O-CB 3.5Å; N129-V132 PolarHBondContact O-N 2.98Å; Q130-V132 VanDerWaalsContact C-N 3.3Å; Q130-V132 PolarHBondContact O-N 2.98Å; V132-T135 PolarHBondContact O-N 2.95Å; V132-K136 HydrophobicContact CG1-CD 3.88Å; V132-K136 HydrophobicContact CG1-CG 4.44Å; V132-K136 VanDerWaalsContact CG1-NZ 3.27Å; V132-K136 WeakPolarHBondContact O-CB 3.31Å; V132-K136 VanDerWaalsContact O-CG 3.29Å; V132-K136 WeakPolarHBondContact O-CG 3.38Å; V132-K136 PolarHBondContact O-N 3.49Å
133	D	94.4	Very high	96.9	Very high	99 Å²	99	46.5 Å²	46.5	53%	0.529	23%	0.234	S	C	.	.	H	α-helix	trans	-68.2	-40.6	179.4	-74.5	-20.4	0	0	0	112.7	N129 Q130 T135 K136 S137	N129-D133 PolarHBondContact O-N 2.97Å; Q130-D133 PolarHBondContact O-N 3.47Å; Q130-D133 VanDerWaalsContact O-N 3.12Å; D133-T135 VanDerWaalsContact C-N 3.32Å; D133-T135 PolarHBondContact O-N 3.36Å; D133-K136 PolarHBondContact O-N 3.23Å; D133-S137 WeakPolarHBondContact O-CB 3.34Å; D133-S137 PolarHBondContact O-N 3.04Å; D133-S137 PolarHBondContact O-OG 3.43Å
134	E	97.3	Very high	96.9	Very high	66 Å²	66	42.9 Å²	42.9	31%	0.308	22%	0.222	S	C	.	.	H	α-helix	trans	-61.3	-41.6	171.8	-73.1	174.4	-175.3	0	0	111.1	Q130 S137 G138 A224	Q130-E134 HydrophobicContact CG-CG 4.44Å; Q130-E134 WeakPolarHBondContact CG-OE1 3.44Å; Q130-E134 PolarHBondContact NE2-OE1 3.47Å; Q130-E134 WeakPolarHBondContact O-CG 3.49Å; Q130-E134 PolarHBondContact O-N 3.06Å; E134-S137 PolarHBondContact O-OG 2.98Å; E134-G138 WeakPolarHBondContact O-CA 3.43Å; E134-G138 PolarHBondContact O-N 2.91Å; E134-A224 HydrophobicContact CB-CB 3.8Å
135	T	98.3	Very high	96.8	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-67.4	-42.2	175.6	-59.5	0	0	0	0	111.6	V54 L58 S131 V132 D133 S137 Y139 L140 F221	V54-T135 HydrophobicContact CG1-CG2 3.78Å; L58-T135 HydrophobicContact CD1-CG2 3.62Å; S131-T135 VanDerWaalsContact O-CB 3.31Å; S131-T135 WeakPolarHBondContact O-CB 3.31Å; S131-T135 PolarHBondContact O-N 2.79Å; S131-T135 PolarHBondContact O-OG1 3.01Å; V132-T135 PolarHBondContact O-N 2.95Å; D133-T135 VanDerWaalsContact C-N 3.32Å; D133-T135 PolarHBondContact O-N 3.36Å; T135-S137 PolarHBondContact O-N 3.44Å; T135-Y139 HydrophobicContact CG2-CD1 4.41Å; T135-Y139 WeakPolarHBondContact O-CA 3.44Å; T135-Y139 WeakPolarHBondContact O-CB 3.4Å; T135-Y139 PolarHBondContact O-N 3.44Å; T135-L140 HydrophobicContact CG2-CD1 4.45Å; T135-L140 HydrophobicContact CG2-CG 4.32Å; T135-L140 PolarHBondContact O-N 2.9Å; T135-F221 HydrophobicContact CG2-CD2 3.49Å; T135-F221 VanDerWaalsContact CG2-CD2 3.49Å; T135-F221 HydrophobicContact CG2-CE2 3.86Å
136	K	95.6	Very high	96.7	Very high	79 Å²	79	46.7 Å²	46.7	34%	0.343	24%	0.239	S	C	.	.	I	π-helix	trans	-60.5	-46.7	177.4	-78.4	170	-178.1	164.8	0	111.1	E59 V132 D133 L140 K141	E59-K136 IonicContact OE1-NZ 3.81Å; E59-K136 PolarHBondContact OE1-NZ 2.82Å; E59-K136 IonicContact OE2-NZ 3.26Å; V132-K136 HydrophobicContact CG1-CD 3.88Å; V132-K136 HydrophobicContact CG1-CG 4.44Å; V132-K136 VanDerWaalsContact CG1-NZ 3.27Å; V132-K136 WeakPolarHBondContact O-CB 3.31Å; V132-K136 VanDerWaalsContact O-CG 3.29Å; V132-K136 WeakPolarHBondContact O-CG 3.38Å; V132-K136 PolarHBondContact O-N 3.49Å; D133-K136 PolarHBondContact O-N 3.23Å; K136-L140 HydrophobicContact CG-CD1 4.05Å; K136-K141 WeakPolarHBondContact O-CB 3.47Å; K136-K141 PolarHBondContact O-N 3.19Å
137	S	94.7	Very high	96.8	Very high	76 Å²	76	41.4 Å²	41.4	53%	0.531	21%	0.214	S	C	.	.	I	π-helix	trans	-79.8	-43.5	-175.9	59.4	0	0	0	0	113.8	D133 E134 T135	D133-S137 WeakPolarHBondContact O-CB 3.34Å; D133-S137 PolarHBondContact O-N 3.04Å; D133-S137 PolarHBondContact O-OG 3.43Å; E134-S137 PolarHBondContact O-OG 2.98Å; T135-S137 PolarHBondContact O-N 3.44Å
138	G	95.5	Very high	96.8	Very high	18 Å²	18	45.7 Å²	45.7	19%	0.186	23%	0.233	C	C	.	.	I	π-helix	trans	-92.5	-16.5	-172.7	0	0	0	0	0	115.5	E134 L142 N220	E134-G138 WeakPolarHBondContact O-CA 3.43Å; E134-G138 PolarHBondContact O-N 2.91Å; G138-L142 WeakPolarHBondContact O-CD1 3.41Å; G138-N220 PolarHBondContact O-ND2 3.4Å
139	Y	98.6	Very high	96.8	Very high	5 Å²	5	50.2 Å²	50.2	2%	0.02	25%	0.249	C	C	.	.	I	π-helix	trans	-124.7	-65.9	179.4	-177.7	-105.8	0	0	0	112.6	I50 V54 T135 K141 L142 I143 T217 L218 F221	I50-Y139 VanDerWaalsContact CG1-OH 3.3Å; I50-Y139 WeakPolarHBondContact CG1-OH 3.42Å; V54-Y139 HydrophobicContact CB-CE1 4.32Å; V54-Y139 HydrophobicContact CG1-CD1 4.18Å; V54-Y139 HydrophobicContact CG1-CE1 4.27Å; V54-Y139 HydrophobicContact CG2-CE1 3.82Å; T135-Y139 HydrophobicContact CG2-CD1 4.41Å; T135-Y139 WeakPolarHBondContact O-CA 3.44Å; T135-Y139 WeakPolarHBondContact O-CB 3.4Å; T135-Y139 PolarHBondContact O-N 3.44Å; Y139-K141 VanDerWaalsContact C-N 3.3Å; Y139-K141 PolarHBondContact O-N 3.25Å; Y139-L142 PolarHBondContact O-N 3.26Å; Y139-I143 HydrophobicContact CD1-CG1 4.03Å; Y139-I143 HydrophobicContact CD2-CD1 4.38Å; Y139-I143 HydrophobicContact CD2-CG1 4.12Å; Y139-I143 HydrophobicContact CE1-CD1 4.37Å; Y139-I143 HydrophobicContact CE1-CG1 3.71Å; Y139-I143 HydrophobicContact CE2-CD1 3.79Å; Y139-I143 HydrophobicContact CE2-CG1 3.86Å; Y139-I143 HydrophobicContact CG-CG1 4.22Å; Y139-I143 WeakPolarHBondContact O-CG1 3.33Å; Y139-I143 PolarHBondContact O-N 3.4Å; Y139-T217 HydrophobicContact CD2-CG2 3.6Å; Y139-T217 VanDerWaalsContact CD2-O 3.28Å; Y139-T217 WeakPolarHBondContact CD2-O 3.35Å; Y139-T217 HydrophobicContact CE2-CG2 4.04Å; Y139-L218 HydrophobicContact CE2-CD1 4.37Å; Y139-F221 HydrophobicContact CD1-CB 4.19Å; Y139-F221 HydrophobicContact CD1-CD2 4.43Å; Y139-F221 HydrophobicContact CD1-CG 4.36Å; Y139-F221 HydrophobicContact CD2-CB 3.63Å; Y139-F221 HydrophobicContact CE2-CB 4.09Å; Y139-F221 HydrophobicContact CG-CB 3.66Å; Y139-F221 HydrophobicContact CG-CG 4.33Å
140	L	98.2	Very high	96.9	Very high	14 Å²	14	50.8 Å²	50.8	7%	0.073	25%	0.252	C	S	.	.	I	π-helix	trans	-61.1	-37.6	-170.5	-69.8	172.8	0	0	0	112.8	Q51 V54 I55 T135 K136 I143 S144	Q51-L140 HydrophobicContact CG-CD2 4.25Å; V54-L140 HydrophobicContact CB-CD2 4.03Å; V54-L140 HydrophobicContact CG1-CD1 4.43Å; V54-L140 HydrophobicContact CG1-CD2 3.85Å; V54-L140 HydrophobicContact CG1-CG 4.23Å; I55-L140 HydrophobicContact CG1-CD1 3.68Å; I55-L140 HydrophobicContact CG1-CD2 4.08Å; T135-L140 HydrophobicContact CG2-CD1 4.45Å; T135-L140 HydrophobicContact CG2-CG 4.32Å; T135-L140 PolarHBondContact O-N 2.9Å; K136-L140 HydrophobicContact CG-CD1 4.05Å; L140-I143 PolarHBondContact O-N 3.45Å; L140-S144 VanDerWaalsContact O-CB 3.3Å; L140-S144 WeakPolarHBondContact O-CB 3.27Å; L140-S144 PolarHBondContact O-N 3.02Å
141	K	97.2	Very high	97	Very high	121 Å²	121	46.1 Å²	46.1	53%	0.526	23%	0.23	S	C	.	.	H	α-helix	trans	-58.7	-47.4	172.9	-175	-176.3	174.9	-173.2	0	111.9	K136 Y139 S144 E145	K136-K141 WeakPolarHBondContact O-CB 3.47Å; K136-K141 PolarHBondContact O-N 3.19Å; Y139-K141 VanDerWaalsContact C-N 3.3Å; Y139-K141 PolarHBondContact O-N 3.25Å; K141-S144 WeakPolarHBondContact O-CB 3.48Å; K141-S144 PolarHBondContact O-N 2.9Å; K141-E145 VanDerWaalsContact CE-OE1 3.25Å; K141-E145 WeakPolarHBondContact CE-OE1 3.44Å; K141-E145 WeakPolarHBondContact O-CG 3.47Å; K141-E145 PolarHBondContact O-N 2.85Å
142	L	97.6	Very high	97	Very high	55 Å²	55	54.3 Å²	54.3	29%	0.288	26%	0.26	S	S	.	.	H	α-helix	trans	-68.6	-38.7	-178.9	-59.3	-178	0	0	0	111.9	G138 Y139 E145 K146 T217	G138-L142 WeakPolarHBondContact O-CD1 3.41Å; Y139-L142 PolarHBondContact O-N 3.26Å; L142-E145 PolarHBondContact O-N 3.1Å; L142-K146 WeakPolarHBondContact O-CB 3.41Å; L142-K146 WeakPolarHBondContact O-CG 3.19Å; L142-K146 PolarHBondContact O-N 2.94Å; L142-T217 HydrophobicContact CB-CG2 3.77Å; L142-T217 HydrophobicContact CD1-CG2 4Å
143	I	98.2	Very high	97.1	Very high	5 Å²	5	60.9 Å²	60.9	3%	0.026	29%	0.289	C	S	.	.	H	α-helix	trans	-58.6	-47.5	171.3	-65.8	-54.8	0	0	0	110.5	Y47 I50 Q51 Y139 L140 K146 L147 T217	Y47-I143 HydrophobicContact CD1-CB 4.35Å; Y47-I143 HydrophobicContact CD1-CD1 3.9Å; Y47-I143 HydrophobicContact CD1-CG2 3.81Å; Y47-I143 HydrophobicContact CE1-CD1 3.49Å; Y47-I143 VanDerWaalsContact CE1-CD1 3.49Å; Y47-I143 HydrophobicContact CE1-CG2 4.48Å; I50-I143 HydrophobicContact CG2-CG2 4.16Å; Q51-I143 HydrophobicContact CB-CG2 3.96Å; Q51-I143 HydrophobicContact CG-CG2 4.42Å; Y139-I143 HydrophobicContact CD1-CG1 4.03Å; Y139-I143 HydrophobicContact CD2-CD1 4.38Å; Y139-I143 HydrophobicContact CD2-CG1 4.12Å; Y139-I143 HydrophobicContact CE1-CD1 4.37Å; Y139-I143 HydrophobicContact CE1-CG1 3.71Å; Y139-I143 HydrophobicContact CE2-CD1 3.79Å; Y139-I143 HydrophobicContact CE2-CG1 3.86Å; Y139-I143 HydrophobicContact CG-CG1 4.22Å; Y139-I143 WeakPolarHBondContact O-CG1 3.33Å; Y139-I143 PolarHBondContact O-N 3.4Å; L140-I143 PolarHBondContact O-N 3.45Å; I143-K146 PolarHBondContact O-N 3.33Å; I143-L147 WeakPolarHBondContact O-CB 3.29Å; I143-L147 PolarHBondContact O-N 3.49Å; I143-T217 HydrophobicContact CD1-CG2 4.15Å; I143-T217 HydrophobicContact CG1-CG2 4.49Å
144	S	97.9	Very high	97.3	Very high	36 Å²	36	56.4 Å²	56.4	25%	0.252	27%	0.265	S	S	.	.	H	α-helix	trans	-61.9	-43.7	178.1	-175.7	0	0	0	0	112.3	L140 K141 L147 H148	L140-S144 VanDerWaalsContact O-CB 3.3Å; L140-S144 WeakPolarHBondContact O-CB 3.27Å; L140-S144 PolarHBondContact O-N 3.02Å; K141-S144 WeakPolarHBondContact O-CB 3.48Å; K141-S144 PolarHBondContact O-N 2.9Å; S144-L147 PolarHBondContact O-N 2.83Å; S144-H148 WeakPolarHBondContact O-CB 3.45Å; S144-H148 PolarHBondContact O-CD2 2.85Å; S144-H148 PolarHBondContact O-N 3.46Å; S144-H148 PolarHBondContact OG-CD2 3.26Å
145	E	96.6	Very high	97.3	Very high	71 Å²	71	55 Å²	55	33%	0.332	26%	0.263	S	S	.	.	H	α-helix	trans	-61	-45.1	174.4	-74.2	177.6	-162.6	0	0	111.8	K141 L142 L147 R149	K141-E145 VanDerWaalsContact CE-OE1 3.25Å; K141-E145 WeakPolarHBondContact CE-OE1 3.44Å; K141-E145 WeakPolarHBondContact O-CG 3.47Å; K141-E145 PolarHBondContact O-N 2.85Å; L142-E145 PolarHBondContact O-N 3.1Å; E145-L147 VanDerWaalsContact C-N 3.34Å; E145-L147 PolarHBondContact O-N 3.3Å; E145-R149 WeakPolarHBondContact O-CB 3.4Å; E145-R149 PolarHBondContact O-N 3.28Å; E145-R149 IonicContact OE2-NH1 3.72Å
146	K	96.4	Very high	97.4	Very high	27 Å²	27	58 Å²	58	12%	0.117	29%	0.287	C	S	.	.	I	π-helix	trans	-59.8	-44	176.4	-75.5	-69.9	176	-174.1	0	112.1	Y47 L142 I143 D150 I151 F207 T210	Y47-K146 HydrophobicContact CD1-CB 4.03Å; Y47-K146 HydrophobicContact CE1-CB 3.59Å; Y47-K146 HydrophobicContact CE1-CG 4.07Å; L142-K146 WeakPolarHBondContact O-CB 3.41Å; L142-K146 WeakPolarHBondContact O-CG 3.19Å; L142-K146 PolarHBondContact O-N 2.94Å; I143-K146 PolarHBondContact O-N 3.33Å; K146-D150 VanDerWaalsContact CD-OD2 3.28Å; K146-D150 WeakPolarHBondContact CD-OD2 3.38Å; K146-D150 IonicContact NZ-OD2 3.26Å; K146-D150 PolarHBondContact NZ-OD2 3.38Å; K146-D150 PolarHBondContact O-N 3.38Å; K146-I151 PolarHBondContact O-N 3.42Å; K146-F207 HydrophobicContact CD-CE2 4.24Å; K146-T210 PolarHBondContact NZ-OG1 2.82Å
147	L	97.2	Very high	97.5	Very high	13 Å²	13	55.9 Å²	55.9	7%	0.068	28%	0.28	C	S	.	.	I	π-helix	trans	-66.7	-52	179.7	-178.8	58.4	0	0	0	112.1	E48 I143 S144 E145 I151 R152	E48-L147 HydrophobicContact CG-CD1 3.73Å; E48-L147 HydrophobicContact CG-CD2 3.88Å; E48-L147 HydrophobicContact CG-CG 4.45Å; I143-L147 WeakPolarHBondContact O-CB 3.29Å; I143-L147 PolarHBondContact O-N 3.49Å; S144-L147 PolarHBondContact O-N 2.83Å; E145-L147 VanDerWaalsContact C-N 3.34Å; E145-L147 PolarHBondContact O-N 3.3Å; L147-I151 HydrophobicContact CD1-CD1 4.36Å; L147-I151 HydrophobicContact CD1-CG2 4.33Å; L147-R152 PolarHBondContact O-N 3.34Å
148	H	97.2	Very high	97.6	Very high	100 Å²	100	54.3 Å²	54.3	46%	0.463	26%	0.262	S	S	.	.	I	π-helix	trans	-85.6	-19.7	-169.8	-64	-43.7	0	0	0	114.5	S144 R152	S144-H148 WeakPolarHBondContact O-CB 3.45Å; S144-H148 PolarHBondContact O-CD2 2.85Å; S144-H148 PolarHBondContact O-N 3.46Å; S144-H148 PolarHBondContact OG-CD2 3.26Å; H148-R152 VanDerWaalsContact O-CB 3.23Å; H148-R152 WeakPolarHBondContact O-CB 3.47Å; H148-R152 WeakPolarHBondContact O-CD 3.29Å
149	R	97.6	Very high	97.7	Very high	138 Å²	138	60.3 Å²	60.3	52%	0.521	28%	0.283	S	S	.	.	I	π-helix	trans	-100	-66.4	175.3	-169.5	-176.8	67.5	-149.3	-5	111.5	E145 K153	E145-R149 WeakPolarHBondContact O-CB 3.4Å; E145-R149 PolarHBondContact O-N 3.28Å; E145-R149 IonicContact OE2-NH1 3.72Å; R149-K153 VanDerWaalsContact O-CB 3.23Å; R149-K153 WeakPolarHBondContact O-CB 3.31Å; R149-K153 PolarHBondContact O-N 3.48Å
150	D	97.2	Very high	97.6	Very high	34 Å²	34	65.2 Å²	65.2	18%	0.182	30%	0.304	C	S	.	.	I	π-helix	trans	-75.2	-52.7	-166.1	-60	-7.4	0	0	0	110.7	K146 R152 K153 I154 F207	K146-D150 VanDerWaalsContact CD-OD2 3.28Å; K146-D150 WeakPolarHBondContact CD-OD2 3.38Å; K146-D150 IonicContact NZ-OD2 3.26Å; K146-D150 PolarHBondContact NZ-OD2 3.38Å; K146-D150 PolarHBondContact O-N 3.38Å; D150-R152 PolarHBondContact O-N 3.3Å; D150-K153 PolarHBondContact O-N 3.42Å; D150-I154 WeakPolarHBondContact O-CG1 3.42Å; D150-I154 PolarHBondContact O-N 2.69Å; D150-F207 HydrophobicContact CB-CD2 3.93Å; D150-F207 HydrophobicContact CB-CE2 4.22Å
151	I	98	Very high	97.5	Very high	3 Å²	3	64.6 Å²	64.6	2%	0.015	30%	0.301	C	S	.	.	I	π-helix	trans	-66.2	-39	-179.7	-66.3	178.4	0	0	0	111.5	M40 K44 Y47 K146 L147 I154 S155 F207	M40-I151 HydrophobicContact CE-CG1 4.48Å; K44-I151 HydrophobicContact CB-CG2 3.75Å; K44-I151 HydrophobicContact CD-CG2 4.33Å; K44-I151 HydrophobicContact CG-CG2 3.78Å; Y47-I151 HydrophobicContact CD2-CD1 3.39Å; Y47-I151 HydrophobicContact CE2-CD1 4.07Å; Y47-I151 HydrophobicContact CG-CD1 3.82Å; K146-I151 PolarHBondContact O-N 3.42Å; L147-I151 HydrophobicContact CD1-CD1 4.36Å; L147-I151 HydrophobicContact CD1-CG2 4.33Å; I151-I154 PolarHBondContact O-N 3.07Å; I151-S155 WeakPolarHBondContact O-CB 3.47Å; I151-S155 PolarHBondContact O-N 3.43Å; I151-S155 PolarHBondContact O-OG 2.81Å; I151-F207 HydrophobicContact CD1-CE2 4.49Å; I151-F207 HydrophobicContact CD1-CZ 4.3Å; I151-F207 HydrophobicContact CG1-CE2 3.99Å; I151-F207 HydrophobicContact CG1-CZ 4.17Å
152	R	98	Very high	97.4	Very high	176 Å²	176	61.3 Å²	61.3	66%	0.664	29%	0.287	S	S	*	.	H	α-helix	trans	-62.3	-43.6	175.3	-164.8	177.2	-162.4	156.9	5	112.1	L147 H148 D150 S155 A156	L147-R152 PolarHBondContact O-N 3.34Å; H148-R152 VanDerWaalsContact O-CB 3.23Å; H148-R152 WeakPolarHBondContact O-CB 3.47Å; H148-R152 WeakPolarHBondContact O-CD 3.29Å; D150-R152 PolarHBondContact O-N 3.3Å; R152-S155 PolarHBondContact O-N 3.11Å; R152-A156 PolarHBondContact O-N 3.39Å
153	K	98.3	Very high	97.3	Very high	142 Å²	142	62.7 Å²	62.7	62%	0.617	30%	0.295	S	S	*	.	H	α-helix	trans	-61.2	-46.2	175.8	-179.6	-179.5	178.3	-178.5	0	111.4	R149 D150 S155 A156 L157	R149-K153 VanDerWaalsContact O-CB 3.23Å; R149-K153 WeakPolarHBondContact O-CB 3.31Å; R149-K153 PolarHBondContact O-N 3.48Å; D150-K153 PolarHBondContact O-N 3.42Å; K153-S155 VanDerWaalsContact C-N 3.33Å; K153-S155 PolarHBondContact O-N 3.47Å; K153-A156 PolarHBondContact O-N 3.25Å; K153-L157 HydrophobicContact CG-CD1 4.42Å; K153-L157 WeakPolarHBondContact O-CG 3.42Å; K153-L157 PolarHBondContact O-N 2.88Å
154	I	98.1	Very high	97.3	Very high	5 Å²	5	65.1 Å²	65.1	3%	0.026	31%	0.306	C	S	.	.	H	α-helix	trans	-61.7	-42.6	177.1	-71.1	167.6	0	0	0	111	M40 D150 I151 A156 L157 R158 A203 M204 F207	M40-I154 HydrophobicContact CB-CG2 4.45Å; M40-I154 HydrophobicContact CE-CD1 3.53Å; M40-I154 HydrophobicContact CE-CG2 4.13Å; M40-I154 HydrophobicContact CG-CG2 4.1Å; M40-I154 HydrophobicContact SD-CD1 4.22Å; D150-I154 WeakPolarHBondContact O-CG1 3.42Å; D150-I154 PolarHBondContact O-N 2.69Å; I151-I154 PolarHBondContact O-N 3.07Å; I154-A156 VanDerWaalsContact C-N 3.32Å; I154-A156 PolarHBondContact O-N 2.91Å; I154-L157 PolarHBondContact O-N 2.88Å; I154-R158 HydrophobicContact CG2-CG 4.34Å; I154-R158 WeakPolarHBondContact O-CG 3.3Å; I154-R158 PolarHBondContact O-N 2.91Å; I154-A203 HydrophobicContact CG1-CB 4.06Å; I154-M204 HydrophobicContact CG2-CG 3.63Å; I154-M204 HydrophobicContact CG2-SD 4.3Å; I154-F207 HydrophobicContact CD1-CB 3.62Å; I154-F207 HydrophobicContact CD1-CD2 4.28Å; I154-F207 HydrophobicContact CD1-CG 3.96Å
155	S	98.2	Very high	97.1	Very high	38 Å²	38	67.1 Å²	67.1	27%	0.266	31%	0.308	S	S	.	.	H	α-helix	trans	-60.4	-40.9	176.9	-59.2	0	0	0	0	112	I151 R152 K153 R158 K159	I151-S155 WeakPolarHBondContact O-CB 3.47Å; I151-S155 PolarHBondContact O-N 3.43Å; I151-S155 PolarHBondContact O-OG 2.81Å; R152-S155 PolarHBondContact O-N 3.11Å; K153-S155 VanDerWaalsContact C-N 3.33Å; K153-S155 PolarHBondContact O-N 3.47Å; S155-R158 PolarHBondContact O-N 3.33Å; S155-K159 PolarHBondContact O-N 3.12Å
156	A	98.5	Very high	97	Very high	63 Å²	63	68.2 Å²	68.2	52%	0.521	32%	0.315	S	S	.	.	H	α-helix	trans	-65.8	-41.6	175.4	0	0	0	0	0	112.5	R152 K153 I154 K159 K160	R152-A156 PolarHBondContact O-N 3.39Å; K153-A156 PolarHBondContact O-N 3.25Å; I154-A156 VanDerWaalsContact C-N 3.32Å; I154-A156 PolarHBondContact O-N 2.91Å; A156-K159 PolarHBondContact O-N 2.91Å; A156-K160 PolarHBondContact O-N 3.35Å
157	L	98.3	Very high	96.9	Very high	34 Å²	34	69.6 Å²	69.6	18%	0.178	33%	0.326	C	S	.	.	H	α-helix	trans	-64	-42.3	175.6	-71.6	171.7	0	0	0	111.9	K153 I154 K159 K160 V161 A199 A203	K153-L157 HydrophobicContact CG-CD1 4.42Å; K153-L157 WeakPolarHBondContact O-CG 3.42Å; K153-L157 PolarHBondContact O-N 2.88Å; I154-L157 PolarHBondContact O-N 2.88Å; L157-K159 VanDerWaalsContact C-N 3.33Å; L157-K159 PolarHBondContact O-N 2.83Å; L157-K160 WeakPolarHBondContact O-CA 3.4Å; L157-K160 WeakPolarHBondContact O-CB 3.45Å; L157-K160 PolarHBondContact O-N 3.48Å; L157-K160 VanDerWaalsContact O-N 3.09Å; L157-V161 WeakPolarHBondContact O-CG2 3.44Å; L157-V161 PolarHBondContact O-N 3.14Å; L157-A199 HydrophobicContact CD2-CB 4.37Å; L157-A203 HydrophobicContact CD1-CB 3.49Å; L157-A203 VanDerWaalsContact CD1-CB 3.49Å
158	R	96.2	Very high	96.7	Very high	42 Å²	42	69.6 Å²	69.6	16%	0.158	33%	0.326	C	S	.	.	H	α-helix	trans	-61	-41.1	174.9	-72.7	169.7	60.5	-157.4	-3.6	112	D41 I154 S155 K160 V161 E162 M204	D41-R158 IonicContact OD1-CZ 3.55Å; D41-R158 IonicContact OD1-NH1 2.75Å; D41-R158 PolarHBondContact OD1-NH1 2.87Å; D41-R158 IonicContact OD1-NH2 3.26Å; D41-R158 PolarHBondContact OD1-NH2 2.75Å; D41-R158 IonicContact OD2-CZ 3.77Å; D41-R158 IonicContact OD2-NH1 2.72Å; D41-R158 IonicContact OD2-NH2 3.78Å; D41-R158 PolarHBondContact OD2-NH2 3.03Å; I154-R158 HydrophobicContact CG2-CG 4.34Å; I154-R158 WeakPolarHBondContact O-CG 3.3Å; I154-R158 PolarHBondContact O-N 2.91Å; S155-R158 PolarHBondContact O-N 3.33Å; R158-K160 VanDerWaalsContact C-N 3.34Å; R158-V161 PolarHBondContact O-N 3.31Å; R158-E162 PolarHBondContact O-N 3.25Å; R158-E162 VanDerWaalsContact O-N 3.08Å; R158-M204 HydrophobicContact CG-SD 4.45Å
159	K	97.6	Very high	96.5	Very high	144 Å²	144	65.9 Å²	65.9	63%	0.626	31%	0.313	S	S	*	.	H	α-helix	trans	-63.2	-39.6	172.6	-171.8	176.2	-178.1	178	0	111.7	S155 A156 L157 E162 N163	S155-K159 PolarHBondContact O-N 3.12Å; A156-K159 PolarHBondContact O-N 2.91Å; L157-K159 VanDerWaalsContact C-N 3.33Å; L157-K159 PolarHBondContact O-N 2.83Å; K159-E162 PolarHBondContact O-N 3.04Å; K159-N163 VanDerWaalsContact O-CG 3.29Å; K159-N163 PolarHBondContact O-N 3.4Å
160	K	97.8	Very high	96.3	Very high	109 Å²	109	65.4 Å²	65.4	47%	0.474	32%	0.316	S	S	.	.	H	α-helix	trans	-61.6	-44.2	175	-173.1	-179.8	177.6	-176.2	0	111.6	A156 L157 R158 E162 N163 K164 A196	A156-K160 PolarHBondContact O-N 3.35Å; L157-K160 WeakPolarHBondContact O-CA 3.4Å; L157-K160 WeakPolarHBondContact O-CB 3.45Å; L157-K160 PolarHBondContact O-N 3.48Å; L157-K160 VanDerWaalsContact O-N 3.09Å; R158-K160 VanDerWaalsContact C-N 3.34Å; K160-E162 VanDerWaalsContact C-N 3.33Å; K160-E162 PolarHBondContact O-N 3.42Å; K160-N163 PolarHBondContact O-N 3.23Å; K160-K164 WeakPolarHBondContact O-CG 3.46Å; K160-K164 PolarHBondContact O-N 3.03Å; K160-A196 HydrophobicContact CG-CB 4.24Å
161	V	95.9	Very high	96.1	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-56.7	-47.9	174.5	172.7	0	0	0	0	110.9	L157 R158 N163 K164 R165 Y193 A196 L197	L157-V161 WeakPolarHBondContact O-CG2 3.44Å; L157-V161 PolarHBondContact O-N 3.14Å; R158-V161 PolarHBondContact O-N 3.31Å; V161-N163 PolarHBondContact O-N 3.05Å; V161-K164 PolarHBondContact O-N 2.73Å; V161-R165 WeakPolarHBondContact O-CB 3.44Å; V161-R165 PolarHBondContact O-N 2.86Å; V161-Y193 HydrophobicContact CG1-CE2 3.92Å; V161-A196 VanDerWaalsContact CG2-C 3.43Å; V161-A196 HydrophobicContact CG2-CB 4.02Å; V161-A196 WeakPolarHBondContact CG2-O 3.42Å; V161-L197 HydrophobicContact CG1-CD1 4.09Å
162	E	94.9	Very high	95.7	Very high	52 Å²	52	71 Å²	71	24%	0.243	34%	0.336	C	S	.	.	H	α-helix	trans	-62.6	-44.9	-179.5	-172.1	54.9	-146.4	0	0	112.2	K29 R158 K159 K160 K164 R165 L166	K29-E162 WeakPolarHBondContact CE-OE2 3.32Å; K29-E162 IonicContact NZ-OE2 3.29Å; K29-E162 PolarHBondContact NZ-OE2 3.33Å; R158-E162 PolarHBondContact O-N 3.25Å; R158-E162 VanDerWaalsContact O-N 3.08Å; K159-E162 PolarHBondContact O-N 3.04Å; K160-E162 VanDerWaalsContact C-N 3.33Å; K160-E162 PolarHBondContact O-N 3.42Å; E162-K164 PolarHBondContact O-N 3.09Å; E162-R165 WeakPolarHBondContact O-CB 3.5Å; E162-R165 PolarHBondContact O-N 3.29Å; E162-R165 IonicContact OE1-CZ 2.88Å; E162-R165 VanDerWaalsContact OE1-CZ 3.24Å; E162-R165 IonicContact OE1-NE 3.03Å; E162-R165 PolarHBondContact OE1-NE 3.34Å; E162-R165 IonicContact OE1-NH2 3.33Å; E162-R165 PolarHBondContact OE1-NH2 3.38Å; E162-R165 IonicContact OE2-CZ 2.79Å; E162-R165 IonicContact OE2-NE 3.52Å; E162-R165 PolarHBondContact OE2-NE 3.21Å; E162-R165 VanDerWaalsContact OE2-NE 3.13Å; E162-R165 IonicContact OE2-NH2 3.28Å; E162-L166 WeakPolarHBondContact O-CG 3.49Å; E162-L166 PolarHBondContact O-N 2.93Å
163	N	96.4	Very high	95.4	Very high	84 Å²	84	66.1 Å²	66.1	45%	0.449	32%	0.324	S	S	.	.	H	α-helix	trans	-60.1	-45.2	176.7	-70.2	-10.4	0	0	0	111.8	K159 K160 V161 L166 T167	K159-N163 VanDerWaalsContact O-CG 3.29Å; K159-N163 PolarHBondContact O-N 3.4Å; K160-N163 PolarHBondContact O-N 3.23Å; V161-N163 PolarHBondContact O-N 3.05Å; N163-L166 PolarHBondContact O-N 3.25Å; N163-T167 PolarHBondContact O-N 3.5Å; N163-T167 PolarHBondContact O-OG1 2.79Å; N163-T167 VanDerWaalsContact O-OG1 3.13Å
164	K	96.7	Very high	95.1	Very high	57 Å²	57	62.5 Å²	62.5	25%	0.248	31%	0.313	C	S	.	.	H	α-helix	trans	-67.8	-35.4	178.5	-65	-57.9	-175.4	178.6	0	112.4	K160 V161 E162 T167 L168 Q192 Y193 A196	K160-K164 WeakPolarHBondContact O-CG 3.46Å; K160-K164 PolarHBondContact O-N 3.03Å; V161-K164 PolarHBondContact O-N 2.73Å; E162-K164 PolarHBondContact O-N 3.09Å; K164-T167 PolarHBondContact O-N 3.35Å; K164-L168 WeakPolarHBondContact O-CB 3.33Å; K164-L168 PolarHBondContact O-N 3.46Å; K164-Q192 HydrophobicContact CD-CB 4.13Å; K164-Y193 HydrophobicContact CB-CD2 4.28Å; K164-A196 HydrophobicContact CB-CB 4.47Å; K164-A196 HydrophobicContact CG-CB 4.15Å
165	R	94.5	Very high	94.8	Very high	78 Å²	78	63.3 Å²	63.3	29%	0.294	32%	0.318	S	S	.	.	H	α-helix	trans	-58.8	-47	172.3	-170.9	-174.3	76.8	107.7	2.7	111.1	V161 E162 L168 A169 Y193	V161-R165 WeakPolarHBondContact O-CB 3.44Å; V161-R165 PolarHBondContact O-N 2.86Å; E162-R165 WeakPolarHBondContact O-CB 3.5Å; E162-R165 PolarHBondContact O-N 3.29Å; E162-R165 IonicContact OE1-CZ 2.88Å; E162-R165 VanDerWaalsContact OE1-CZ 3.24Å; E162-R165 IonicContact OE1-NE 3.03Å; E162-R165 PolarHBondContact OE1-NE 3.34Å; E162-R165 IonicContact OE1-NH2 3.33Å; E162-R165 PolarHBondContact OE1-NH2 3.38Å; E162-R165 IonicContact OE2-CZ 2.79Å; E162-R165 IonicContact OE2-NE 3.52Å; E162-R165 PolarHBondContact OE2-NE 3.21Å; E162-R165 VanDerWaalsContact OE2-NE 3.13Å; E162-R165 IonicContact OE2-NH2 3.28Å; R165-L168 PolarHBondContact O-N 3.21Å; R165-A169 VanDerWaalsContact O-CB 3.27Å; R165-A169 WeakPolarHBondContact O-CB 3.37Å; R165-A169 PolarHBondContact O-N 3.16Å; R165-Y193 HydrophobicContact CB-CD2 3.92Å; R165-Y193 HydrophobicContact CB-CE2 3.66Å; R165-Y193 HydrophobicContact CG-CE2 4.04Å
166	L	93.8	Very high	94.5	Very high	93 Å²	93	67.1 Å²	67.1	49%	0.487	33%	0.331	S	S	.	.	H	α-helix	trans	-64.1	-40.2	178.5	-67.5	172.2	0	0	0	111.9	E162 N163 A169 H170	E162-L166 WeakPolarHBondContact O-CG 3.49Å; E162-L166 PolarHBondContact O-N 2.93Å; N163-L166 PolarHBondContact O-N 3.25Å; L166-A169 PolarHBondContact O-N 2.91Å; L166-H170 WeakPolarHBondContact O-CB 3.39Å; L166-H170 PolarHBondContact O-N 3.02Å
167	T	94.1	Very high	94.2	Very high	56 Å²	56	74.2 Å²	74.2	34%	0.344	34%	0.344	S	S	.	.	H	α-helix	trans	-61.4	-48.4	174.3	-55.4	0	0	0	0	111.9	N163 K164 A169 H170 R171	N163-T167 PolarHBondContact O-N 3.5Å; N163-T167 PolarHBondContact O-OG1 2.79Å; N163-T167 VanDerWaalsContact O-OG1 3.13Å; K164-T167 PolarHBondContact O-N 3.35Å; T167-A169 VanDerWaalsContact C-N 3.34Å; T167-A169 PolarHBondContact O-N 3.5Å; T167-H170 PolarHBondContact O-N 3.32Å; T167-R171 PolarHBondContact O-N 2.8Å
168	L	94.3	Very high	94	Very high	14 Å²	14	76.9 Å²	76.9	7%	0.073	36%	0.362	C	S	.	.	H	α-helix	trans	-62.1	-42.7	177.1	178.6	61.1	0	0	0	111.3	K164 R165 H170 R171 K172 F186 R190 Y193	K164-L168 WeakPolarHBondContact O-CB 3.33Å; K164-L168 PolarHBondContact O-N 3.46Å; R165-L168 PolarHBondContact O-N 3.21Å; L168-H170 PolarHBondContact O-N 3.28Å; L168-R171 PolarHBondContact O-N 2.91Å; L168-K172 WeakPolarHBondContact O-CB 3.29Å; L168-K172 PolarHBondContact O-N 2.87Å; L168-F186 HydrophobicContact CD1-CD2 4.22Å; L168-F186 HydrophobicContact CD1-CE2 3.78Å; L168-F186 HydrophobicContact CD1-CZ 4.16Å; L168-R190 HydrophobicContact CD1-CB 3.98Å; L168-Y193 HydrophobicContact CD2-CD1 3.75Å; L168-Y193 HydrophobicContact CD2-CG 4.07Å
169	A	92.9	Very high	93.7	Very high	22 Å²	22	83.8 Å²	83.8	18%	0.182	39%	0.393	C	S	.	.	H	α-helix	trans	-62.1	-44	177.7	0	0	0	0	0	112.2	M27 R165 L166 T167 K172 N173	M27-A169 HydrophobicContact CE-CB 3.96Å; M27-A169 HydrophobicContact SD-CB 3.59Å; M27-A169 VanDerWaalsContact SD-CB 3.59Å; R165-A169 VanDerWaalsContact O-CB 3.27Å; R165-A169 WeakPolarHBondContact O-CB 3.37Å; R165-A169 PolarHBondContact O-N 3.16Å; L166-A169 PolarHBondContact O-N 2.91Å; T167-A169 VanDerWaalsContact C-N 3.34Å; T167-A169 PolarHBondContact O-N 3.5Å; A169-K172 PolarHBondContact O-N 3.39Å; A169-N173 WeakPolarHBondContact O-CB 3.22Å; A169-N173 PolarHBondContact O-N 3.18Å; A169-N173 PolarHBondContact O-ND2 3Å
170	H	91.8	Very high	93.4	Very high	128 Å²	128	79.1 Å²	79.1	59%	0.593	38%	0.382	S	S	*	.	H	α-helix	trans	-59.5	-49.8	174.9	177.7	73.2	0	0	0	111.4	L166 T167 L168 K172 N173 V174	L166-H170 WeakPolarHBondContact O-CB 3.39Å; L166-H170 PolarHBondContact O-N 3.02Å; T167-H170 PolarHBondContact O-N 3.32Å; L168-H170 PolarHBondContact O-N 3.28Å; H170-K172 PolarHBondContact O-N 3.04Å; H170-N173 PolarHBondContact O-N 3.49Å; H170-V174 WeakPolarHBondContact O-CG2 3.47Å; H170-V174 PolarHBondContact O-N 3.32Å
171	R	92.8	Very high	93	Very high	78 Å²	78	81.5 Å²	81.5	29%	0.294	40%	0.395	S	S	.	.	H	α-helix	trans	-61.3	-41.8	178.2	-76	178	168.4	173.5	-0.8	112.2	T167 L168 N173 V174 L175 A185 F186 S189	T167-R171 PolarHBondContact O-N 2.8Å; L168-R171 PolarHBondContact O-N 2.91Å; R171-N173 PolarHBondContact O-N 3.43Å; R171-V174 PolarHBondContact O-N 2.84Å; R171-L175 PolarHBondContact O-N 2.92Å; R171-L175 VanDerWaalsContact O-N 3.08Å; R171-A185 PolarHBondContact NH1-O 3.29Å; R171-F186 HydrophobicContact CB-CD2 4.11Å; R171-S189 WeakPolarHBondContact CD-OG 3.36Å; R171-S189 VanDerWaalsContact NH1-CB 3.29Å
172	K	91.6	Very high	92.8	Very high	75 Å²	75	85.3 Å²	85.3	33%	0.326	42%	0.419	S	S	.	.	H	α-helix	trans	-59.7	-47.2	175.4	-164.6	-176.4	-178.4	-168.4	0	112.1	M27 L168 A169 H170 V174 L175 E176 F186	M27-K172 HydrophobicContact CE-CB 3.79Å; M27-K172 HydrophobicContact CE-CD 3.21Å; M27-K172 HydrophobicContact CE-CG 4.11Å; L168-K172 WeakPolarHBondContact O-CB 3.29Å; L168-K172 PolarHBondContact O-N 2.87Å; A169-K172 PolarHBondContact O-N 3.39Å; H170-K172 PolarHBondContact O-N 3.04Å; K172-V174 VanDerWaalsContact C-N 3.26Å; K172-V174 PolarHBondContact O-N 3.25Å; K172-L175 PolarHBondContact O-N 3.42Å; K172-E176 WeakPolarHBondContact CE-OE1 3.35Å; K172-E176 IonicContact NZ-OE1 2.73Å; K172-E176 WeakPolarHBondContact O-CG 3.28Å; K172-E176 PolarHBondContact O-N 2.92Å; K172-F186 HydrophobicContact CB-CE2 3.93Å; K172-F186 HydrophobicContact CG-CE2 4.19Å
173	N	91.4	Very high	92.6	Very high	75 Å²	75	86.8 Å²	86.8	40%	0.401	43%	0.429	S	S	.	.	H	α-helix	trans	-62.3	-34	178.6	-70.8	-20.2	0	0	0	112.2	A169 H170 R171 R177	A169-N173 WeakPolarHBondContact O-CB 3.22Å; A169-N173 PolarHBondContact O-N 3.18Å; A169-N173 PolarHBondContact O-ND2 3Å; H170-N173 PolarHBondContact O-N 3.49Å; R171-N173 PolarHBondContact O-N 3.43Å; N173-R177 WeakPolarHBondContact O-CB 3.46Å; N173-R177 WeakPolarHBondContact O-CG 3.4Å; N173-R177 PolarHBondContact O-N 3.43Å; N173-R177 VanDerWaalsContact O-N 3.09Å
174	V	91.7	Very high	92.5	Very high	65 Å²	65	89.8 Å²	89.8	39%	0.394	44%	0.44	S	S	.	.	H	α-helix	trans	-64.9	-49.8	174.5	171.6	0	0	0	0	110.5	H170 R171 K172 E176 R177 T178	H170-V174 WeakPolarHBondContact O-CG2 3.47Å; H170-V174 PolarHBondContact O-N 3.32Å; R171-V174 PolarHBondContact O-N 2.84Å; K172-V174 VanDerWaalsContact C-N 3.26Å; K172-V174 PolarHBondContact O-N 3.25Å; V174-E176 VanDerWaalsContact C-N 3.32Å; V174-E176 PolarHBondContact O-N 3.47Å; V174-R177 PolarHBondContact O-N 3.15Å; V174-T178 HydrophobicContact CG1-CG2 4.38Å; V174-T178 WeakPolarHBondContact O-CG2 3.36Å; V174-T178 PolarHBondContact O-N 3.31Å; V174-T178 PolarHBondContact O-OG1 3.34Å
175	L	91.5	Very high	92.3	Very high	23 Å²	23	88.4 Å²	88.4	12%	0.12	44%	0.439	C	S	.	.	H	α-helix	trans	-58.6	-42.6	177.7	-67.2	177.7	0	0	0	112.5	R171 K172 R177 T178 K179 A180 Q181 P182 F186	R171-L175 PolarHBondContact O-N 2.92Å; R171-L175 VanDerWaalsContact O-N 3.08Å; K172-L175 PolarHBondContact O-N 3.42Å; L175-R177 PolarHBondContact O-N 2.99Å; L175-T178 PolarHBondContact O-OG1 3.48Å; L175-K179 VanDerWaalsContact O-CA 3.32Å; L175-K179 WeakPolarHBondContact O-CA 3.34Å; L175-K179 PolarHBondContact O-N 2.99Å; L175-A180 HydrophobicContact CD2-CB 3.91Å; L175-A180 PolarHBondContact O-N 3.24Å; L175-Q181 WeakPolarHBondContact CD2-O 3.45Å; L175-P182 HydrophobicContact CD1-CB 4.25Å; L175-P182 HydrophobicContact CD1-CG 4.37Å; L175-F186 HydrophobicContact CD1-CB 3.8Å; L175-F186 HydrophobicContact CD1-CD1 4.18Å; L175-F186 HydrophobicContact CD1-CD2 3.42Å; L175-F186 VanDerWaalsContact CD1-CD2 3.42Å; L175-F186 HydrophobicContact CD1-CE2 4Å; L175-F186 HydrophobicContact CD1-CG 3.51Å; L175-F186 HydrophobicContact CG-CD2 4.49Å
176	E	91.2	Very high	92.3	Very high	117 Å²	117	86.1 Å²	86.1	55%	0.547	43%	0.432	S	S	.	.	H	α-helix	trans	-63.9	-40.2	178	-73.3	176.2	-177.2	0	0	112	K172 V174	K172-E176 WeakPolarHBondContact CE-OE1 3.35Å; K172-E176 IonicContact NZ-OE1 2.73Å; K172-E176 WeakPolarHBondContact O-CG 3.28Å; K172-E176 PolarHBondContact O-N 2.92Å; V174-E176 VanDerWaalsContact C-N 3.32Å; V174-E176 PolarHBondContact O-N 3.47Å
177	R	93	Very high	92.3	Very high	212 Å²	212	84.9 Å²	84.9	80%	0.8	42%	0.423	S	S	*	.	H	α-helix	trans	-70.7	-42.2	178.6	-75.3	172.8	179.7	-174.5	-0.7	112.8	N173 V174 L175 K179	N173-R177 WeakPolarHBondContact O-CB 3.46Å; N173-R177 WeakPolarHBondContact O-CG 3.4Å; N173-R177 PolarHBondContact O-N 3.43Å; N173-R177 VanDerWaalsContact O-N 3.09Å; V174-R177 PolarHBondContact O-N 3.15Å; L175-R177 PolarHBondContact O-N 2.99Å; R177-K179 VanDerWaalsContact C-N 3.29Å
178	T	93.2	Very high	92.4	Very high	90 Å²	90	86.1 Å²	86.1	55%	0.552	43%	0.425	S	S	*	.	H	α-helix	trans	-83.2	-9.3	-178.7	58.3	0	0	0	0	112.7	V174 L175 A180	V174-T178 HydrophobicContact CG1-CG2 4.38Å; V174-T178 WeakPolarHBondContact O-CG2 3.36Å; V174-T178 PolarHBondContact O-N 3.31Å; V174-T178 PolarHBondContact O-OG1 3.34Å; L175-T178 PolarHBondContact O-OG1 3.48Å; T178-A180 PolarHBondContact O-N 2.94Å; T178-A180 VanDerWaalsContact OG1-CB 3.23Å; T178-A180 WeakPolarHBondContact OG1-CB 3.3Å; T178-A180 PolarHBondContact OG1-N 3.03Å
179	K	91.5	Very high	92.4	Very high	187 Å²	187	85.5 Å²	85.5	81%	0.813	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	26.7	-168.9	-55.3	179.9	-179.5	178.2	0	112.2	L175 R177	L175-K179 VanDerWaalsContact O-CA 3.32Å; L175-K179 WeakPolarHBondContact O-CA 3.34Å; L175-K179 PolarHBondContact O-N 2.99Å; R177-K179 VanDerWaalsContact C-N 3.29Å
180	A	90.3	Very high	92.5	Very high	46 Å²	46	88.4 Å²	88.4	38%	0.38	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-76.5	153.4	177.3	0	0	0	0	0	110.4	L175 T178	L175-A180 HydrophobicContact CD2-CB 3.91Å; L175-A180 PolarHBondContact O-N 3.24Å; T178-A180 PolarHBondContact O-N 2.94Å; T178-A180 VanDerWaalsContact OG1-CB 3.23Å; T178-A180 WeakPolarHBondContact OG1-CB 3.3Å; T178-A180 PolarHBondContact OG1-N 3.03Å
181	Q	90	Very high	92.7	Very high	160 Å²	160	85.8 Å²	85.8	75%	0.748	42%	0.418	S	S	*	.	P	Polyproline II helix	trans	-75.3	151.1	171	-66	-60.6	-27.7	0	0	110.6	L175 D183	L175-Q181 WeakPolarHBondContact CD2-O 3.45Å; Q181-D183 PolarHBondContact O-N 3.35Å; Q181-D183 VanDerWaalsContact O-N 3.17Å
182	P	91.3	Very high	92.8	Very high	79 Å²	79	85.6 Å²	85.6	51%	0.513	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-52.3	120.1	174.1	-25.8	34.9	0	0	0	111.8	L175 F186	L175-P182 HydrophobicContact CD1-CB 4.25Å; L175-P182 HydrophobicContact CD1-CG 4.37Å; P182-F186 HydrophobicContact CB-CD1 3.76Å; P182-F186 HydrophobicContact CB-CE1 4.26Å; P182-F186 HydrophobicContact CB-CG 4.41Å
183	D	91.6	Very high	93	Very high	84 Å²	84	82.7 Å²	82.7	45%	0.449	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-93.7	173.6	177.7	68	-16	0	0	0	111.3	Q181 A185 F186 E187	Q181-D183 PolarHBondContact O-N 3.35Å; Q181-D183 VanDerWaalsContact O-N 3.17Å; D183-A185 PolarHBondContact O-N 2.92Å; D183-F186 PolarHBondContact O-N 2.92Å; D183-F186 VanDerWaalsContact OD1-CB 3.24Å; D183-F186 WeakPolarHBondContact OD1-CB 3.35Å; D183-F186 PolarHBondContact OD1-N 3.49Å; D183-E187 PolarHBondContact O-N 3.29Å; D183-E187 VanDerWaalsContact O-N 3.11Å
184	Q	93.1	Very high	93	Very high	147 Å²	147	81.5 Å²	81.5	69%	0.687	40%	0.4	S	S	*	.	H	α-helix	trans	-56.5	-37.7	176.8	-177.8	-177.9	-15.6	0	0	111.6	E187 E188	Q184-E187 PolarHBondContact O-N 2.99Å; Q184-E188 HydrophobicContact CG-CG 4.36Å; Q184-E188 WeakPolarHBondContact CG-OE1 3.41Å; Q184-E188 PolarHBondContact NE2-OE1 3.23Å; Q184-E188 WeakPolarHBondContact O-CB 3.37Å; Q184-E188 VanDerWaalsContact O-CG 3.32Å; Q184-E188 WeakPolarHBondContact O-CG 3.39Å; Q184-E188 PolarHBondContact O-N 3.43Å
185	A	91.8	Very high	93.2	Very high	28 Å²	28	83.3 Å²	83.3	23%	0.231	41%	0.407	C	S	.	.	H	α-helix	trans	-64.9	-45	178.9	0	0	0	0	0	111.6	R171 D183 E187 E188 S189	R171-A185 PolarHBondContact NH1-O 3.29Å; D183-A185 PolarHBondContact O-N 2.92Å; A185-E187 VanDerWaalsContact C-N 3.28Å; A185-E187 PolarHBondContact O-N 3.42Å; A185-E188 PolarHBondContact O-N 2.91Å; A185-S189 PolarHBondContact O-N 3.04Å; A185-S189 PolarHBondContact O-OG 2.93Å
186	F	94.6	Very high	93.4	Very high	30 Å²	30	82.4 Å²	82.4	13%	0.132	40%	0.403	C	S	.	.	H	α-helix	trans	-55.8	-47	173.3	174.5	-94.2	0	0	0	111.6	L168 R171 K172 L175 P182 D183 E188 S189 R190	L168-F186 HydrophobicContact CD1-CD2 4.22Å; L168-F186 HydrophobicContact CD1-CE2 3.78Å; L168-F186 HydrophobicContact CD1-CZ 4.16Å; R171-F186 HydrophobicContact CB-CD2 4.11Å; K172-F186 HydrophobicContact CB-CE2 3.93Å; K172-F186 HydrophobicContact CG-CE2 4.19Å; L175-F186 HydrophobicContact CD1-CB 3.8Å; L175-F186 HydrophobicContact CD1-CD1 4.18Å; L175-F186 HydrophobicContact CD1-CD2 3.42Å; L175-F186 VanDerWaalsContact CD1-CD2 3.42Å; L175-F186 HydrophobicContact CD1-CE2 4Å; L175-F186 HydrophobicContact CD1-CG 3.51Å; L175-F186 HydrophobicContact CG-CD2 4.49Å; P182-F186 HydrophobicContact CB-CD1 3.76Å; P182-F186 HydrophobicContact CB-CE1 4.26Å; P182-F186 HydrophobicContact CB-CG 4.41Å; D183-F186 PolarHBondContact O-N 2.92Å; D183-F186 VanDerWaalsContact OD1-CB 3.24Å; D183-F186 WeakPolarHBondContact OD1-CB 3.35Å; D183-F186 PolarHBondContact OD1-N 3.49Å; F186-E188 PolarHBondContact O-N 3.38Å; F186-S189 WeakPolarHBondContact CA-OG 3.43Å; F186-S189 PolarHBondContact O-N 2.86Å; F186-S189 VanDerWaalsContact O-N 3.17Å; F186-S189 PolarHBondContact O-OG 3.49Å; F186-R190 PolarHBondContact O-N 3.47Å
187	E	94.5	Very high	93.5	Very high	67 Å²	67	77.3 Å²	77.3	31%	0.313	38%	0.379	S	S	.	.	H	α-helix	trans	-62.5	-43.8	179.9	-174.5	53.3	-153.9	0	0	112.3	D183 Q184 A185 S189 R190 I191	D183-E187 PolarHBondContact O-N 3.29Å; D183-E187 VanDerWaalsContact O-N 3.11Å; Q184-E187 PolarHBondContact O-N 2.99Å; A185-E187 VanDerWaalsContact C-N 3.28Å; A185-E187 PolarHBondContact O-N 3.42Å; E187-S189 VanDerWaalsContact C-N 3.33Å; E187-S189 PolarHBondContact O-N 3.35Å; E187-R190 WeakPolarHBondContact O-CB 3.48Å; E187-R190 PolarHBondContact O-N 3.49Å; E187-R190 VanDerWaalsContact O-N 3.09Å; E187-R190 IonicContact OE1-CZ 3.99Å; E187-R190 VanDerWaalsContact OE1-CZ 3.26Å; E187-R190 IonicContact OE1-NE 2.9Å; E187-R190 PolarHBondContact OE1-NE 3.21Å; E187-R190 IonicContact OE1-NH2 3.99Å; E187-R190 PolarHBondContact OE1-NH2 3.44Å; E187-R190 IonicContact OE2-CZ 3.25Å; E187-R190 IonicContact OE2-NE 3.93Å; E187-R190 PolarHBondContact OE2-NE 3.12Å; E187-R190 IonicContact OE2-NH2 3.86Å; E187-R190 PolarHBondContact OE2-NH2 3.01Å; E187-I191 HydrophobicContact CG-CD1 4.29Å; E187-I191 WeakPolarHBondContact O-CG1 3.38Å; E187-I191 PolarHBondContact O-N 2.96Å
188	E	95.5	Very high	93.4	Very high	82 Å²	82	69.8 Å²	69.8	38%	0.383	36%	0.362	S	S	.	.	H	α-helix	trans	-60.2	-39.7	173.4	-75	172.6	-172.5	0	0	112.6	Q184 A185 F186 R190 Q192	Q184-E188 HydrophobicContact CG-CG 4.36Å; Q184-E188 WeakPolarHBondContact CG-OE1 3.41Å; Q184-E188 PolarHBondContact NE2-OE1 3.23Å; Q184-E188 WeakPolarHBondContact O-CB 3.37Å; Q184-E188 VanDerWaalsContact O-CG 3.32Å; Q184-E188 WeakPolarHBondContact O-CG 3.39Å; Q184-E188 PolarHBondContact O-N 3.43Å; A185-E188 PolarHBondContact O-N 2.91Å; F186-E188 PolarHBondContact O-N 3.38Å; E188-R190 VanDerWaalsContact C-N 3.3Å; E188-R190 PolarHBondContact O-N 3.36Å; E188-Q192 WeakPolarHBondContact O-CB 3.25Å; E188-Q192 WeakPolarHBondContact O-CG 3.31Å; E188-Q192 PolarHBondContact O-N 3.45Å
189	S	95.3	Very high	93.5	Very high	1 Å²	1	67.5 Å²	67.5	1%	0.007	35%	0.353	C	S	.	.	H	α-helix	trans	-67.9	-32.1	175.3	48.2	0	0	0	0	113	R171 A185 F186 E187 Y193	R171-S189 WeakPolarHBondContact CD-OG 3.36Å; R171-S189 VanDerWaalsContact NH1-CB 3.29Å; A185-S189 PolarHBondContact O-N 3.04Å; A185-S189 PolarHBondContact O-OG 2.93Å; F186-S189 WeakPolarHBondContact CA-OG 3.43Å; F186-S189 PolarHBondContact O-N 2.86Å; F186-S189 VanDerWaalsContact O-N 3.17Å; F186-S189 PolarHBondContact O-OG 3.49Å; E187-S189 VanDerWaalsContact C-N 3.33Å; E187-S189 PolarHBondContact O-N 3.35Å; S189-Y193 WeakPolarHBondContact O-CB 3.38Å; S189-Y193 PolarHBondContact O-N 3.34Å
190	R	95.2	Very high	93.7	Very high	83 Å²	83	58.6 Å²	58.6	31%	0.313	31%	0.314	S	S	.	.	H	α-helix	trans	-66	-52	177.1	-175	-178.6	72.6	86.4	-9.8	109.8	L168 F186 E187 E188 Q192 Y193 E194	L168-R190 HydrophobicContact CD1-CB 3.98Å; F186-R190 PolarHBondContact O-N 3.47Å; E187-R190 WeakPolarHBondContact O-CB 3.48Å; E187-R190 PolarHBondContact O-N 3.49Å; E187-R190 VanDerWaalsContact O-N 3.09Å; E187-R190 IonicContact OE1-CZ 3.99Å; E187-R190 VanDerWaalsContact OE1-CZ 3.26Å; E187-R190 IonicContact OE1-NE 2.9Å; E187-R190 PolarHBondContact OE1-NE 3.21Å; E187-R190 IonicContact OE1-NH2 3.99Å; E187-R190 PolarHBondContact OE1-NH2 3.44Å; E187-R190 IonicContact OE2-CZ 3.25Å; E187-R190 IonicContact OE2-NE 3.93Å; E187-R190 PolarHBondContact OE2-NE 3.12Å; E187-R190 IonicContact OE2-NH2 3.86Å; E187-R190 PolarHBondContact OE2-NH2 3.01Å; E188-R190 VanDerWaalsContact C-N 3.3Å; E188-R190 PolarHBondContact O-N 3.36Å; R190-Q192 PolarHBondContact O-N 2.78Å; R190-Y193 WeakPolarHBondContact O-CB 3.46Å; R190-Y193 PolarHBondContact O-N 3.28Å; R190-Y193 VanDerWaalsContact O-N 3.13Å; R190-E194 WeakPolarHBondContact CG-OE1 3.48Å; R190-E194 IonicContact CZ-OE1 3.4Å; R190-E194 IonicContact NH1-OE1 2.59Å; R190-E194 PolarHBondContact NH1-OE1 2.93Å; R190-E194 IonicContact NH1-OE2 3.54Å; R190-E194 PolarHBondContact NH1-OE2 2.89Å; R190-E194 WeakPolarHBondContact O-CG 3.1Å; R190-E194 PolarHBondContact O-N 2.9Å
191	I	95.2	Very high	93.8	Very high	73 Å²	73	56.6 Å²	56.6	37%	0.374	30%	0.297	S	S	.	.	H	α-helix	trans	-57.1	-47.7	176.4	-65.1	167.5	0	0	0	110.7	E187 Y193 E194 D195	E187-I191 HydrophobicContact CG-CD1 4.29Å; E187-I191 WeakPolarHBondContact O-CG1 3.38Å; E187-I191 PolarHBondContact O-N 2.96Å; I191-Y193 VanDerWaalsContact C-N 3.28Å; I191-Y193 PolarHBondContact O-N 2.95Å; I191-E194 PolarHBondContact O-N 3.23Å; I191-E194 VanDerWaalsContact O-N 3.14Å; I191-D195 PolarHBondContact O-N 2.97Å
192	Q	96.3	Very high	93.9	Very high	74 Å²	74	52 Å²	52	35%	0.346	28%	0.28	S	S	.	.	H	α-helix	trans	-62.9	-31.9	179.2	-73.5	176.1	21	0	0	113.9	K164 E188 R190 A196	K164-Q192 HydrophobicContact CD-CB 4.13Å; E188-Q192 WeakPolarHBondContact O-CB 3.25Å; E188-Q192 WeakPolarHBondContact O-CG 3.31Å; E188-Q192 PolarHBondContact O-N 3.45Å; R190-Q192 PolarHBondContact O-N 2.78Å; Q192-A196 WeakPolarHBondContact O-CB 3.5Å; Q192-A196 PolarHBondContact O-N 3.12Å
193	Y	95.6	Very high	94.1	Very high	14 Å²	14	49.2 Å²	49.2	6%	0.055	26%	0.263	C	S	.	.	H	α-helix	trans	-71	-44.9	173.5	168.3	-109.4	0	0	0	111.1	V161 K164 R165 L168 S189 R190 I191 A196 L197	V161-Y193 HydrophobicContact CG1-CE2 3.92Å; K164-Y193 HydrophobicContact CB-CD2 4.28Å; R165-Y193 HydrophobicContact CB-CD2 3.92Å; R165-Y193 HydrophobicContact CB-CE2 3.66Å; R165-Y193 HydrophobicContact CG-CE2 4.04Å; L168-Y193 HydrophobicContact CD2-CD1 3.75Å; L168-Y193 HydrophobicContact CD2-CG 4.07Å; S189-Y193 WeakPolarHBondContact O-CB 3.38Å; S189-Y193 PolarHBondContact O-N 3.34Å; R190-Y193 WeakPolarHBondContact O-CB 3.46Å; R190-Y193 PolarHBondContact O-N 3.28Å; R190-Y193 VanDerWaalsContact O-N 3.13Å; I191-Y193 VanDerWaalsContact C-N 3.28Å; I191-Y193 PolarHBondContact O-N 2.95Å; Y193-A196 PolarHBondContact O-N 3.41Å; Y193-L197 WeakPolarHBondContact O-CB 3.43Å; Y193-L197 PolarHBondContact O-N 3.36Å
194	E	91.5	Very high	94.3	Very high	50 Å²	50	45.2 Å²	45.2	23%	0.234	24%	0.242	C	C	.	.	H	α-helix	trans	-60.4	-46.1	177	-72.2	170.3	-173.3	0	0	111.5	R190 I191 A196 L197 A198	R190-E194 WeakPolarHBondContact CG-OE1 3.48Å; R190-E194 IonicContact CZ-OE1 3.4Å; R190-E194 IonicContact NH1-OE1 2.59Å; R190-E194 PolarHBondContact NH1-OE1 2.93Å; R190-E194 IonicContact NH1-OE2 3.54Å; R190-E194 PolarHBondContact NH1-OE2 2.89Å; R190-E194 WeakPolarHBondContact O-CG 3.1Å; R190-E194 PolarHBondContact O-N 2.9Å; I191-E194 PolarHBondContact O-N 3.23Å; I191-E194 VanDerWaalsContact O-N 3.14Å; E194-A196 PolarHBondContact O-N 2.9Å; E194-L197 WeakPolarHBondContact O-CB 3.11Å; E194-L197 PolarHBondContact O-N 3.27Å; E194-A198 WeakPolarHBondContact O-CB 3.3Å; E194-A198 PolarHBondContact O-N 3.33Å
195	D	95.3	Very high	94.1	Very high	103 Å²	103	39.2 Å²	39.2	55%	0.551	22%	0.216	S	C	*	.	H	α-helix	trans	-60.6	-43.2	175.5	-73.6	-19.2	0	0	0	112.2	I191 L197 A199	I191-D195 PolarHBondContact O-N 2.97Å; D195-L197 VanDerWaalsContact C-N 3.34Å; D195-A199 VanDerWaalsContact O-CB 3.3Å; D195-A199 WeakPolarHBondContact O-CB 3.34Å; D195-A199 PolarHBondContact O-N 3.05Å
196	A	95.8	Very high	94.1	Very high	3 Å²	3	42.4 Å²	42.4	3%	0.025	23%	0.23	C	C	.	.	H	α-helix	trans	-64.9	-41.7	177.2	0	0	0	0	0	111.1	K160 V161 K164 Q192 Y193 E194 S200	K160-A196 HydrophobicContact CG-CB 4.24Å; V161-A196 VanDerWaalsContact CG2-C 3.43Å; V161-A196 HydrophobicContact CG2-CB 4.02Å; V161-A196 WeakPolarHBondContact CG2-O 3.42Å; K164-A196 HydrophobicContact CB-CB 4.47Å; K164-A196 HydrophobicContact CG-CB 4.15Å; Q192-A196 WeakPolarHBondContact O-CB 3.5Å; Q192-A196 PolarHBondContact O-N 3.12Å; Y193-A196 PolarHBondContact O-N 3.41Å; E194-A196 PolarHBondContact O-N 2.9Å; A196-S200 WeakPolarHBondContact O-CB 3.43Å; A196-S200 PolarHBondContact O-N 2.93Å
197	L	93.8	Very high	94.1	Very high	10 Å²	10	41.3 Å²	41.3	5%	0.052	23%	0.225	C	C	.	.	H	α-helix	trans	-63	-50.2	178.7	-175.2	68.3	0	0	0	110.3	L17 Y33 V161 Y193 E194 D195 A199 S200 T201	L17-L197 HydrophobicContact CD2-CD2 4.35Å; Y33-L197 HydrophobicContact CD1-CD1 4.33Å; Y33-L197 HydrophobicContact CD2-CD1 3.44Å; Y33-L197 VanDerWaalsContact CD2-CD1 3.44Å; Y33-L197 HydrophobicContact CD2-CG 4.48Å; Y33-L197 HydrophobicContact CE1-CD1 4.41Å; Y33-L197 HydrophobicContact CE2-CD1 3.52Å; Y33-L197 HydrophobicContact CG-CD1 3.86Å; V161-L197 HydrophobicContact CG1-CD1 4.09Å; Y193-L197 WeakPolarHBondContact O-CB 3.43Å; Y193-L197 PolarHBondContact O-N 3.36Å; E194-L197 WeakPolarHBondContact O-CB 3.11Å; E194-L197 PolarHBondContact O-N 3.27Å; D195-L197 VanDerWaalsContact C-N 3.34Å; L197-A199 PolarHBondContact O-N 3.33Å; L197-S200 PolarHBondContact O-N 2.92Å; L197-T201 WeakPolarHBondContact O-CB 3.25Å; L197-T201 PolarHBondContact O-N 3.39Å; L197-T201 PolarHBondContact O-OG1 3.49Å
198	A	90.8	Very high	94	Very high	54 Å²	54	39.1 Å²	39.1	45%	0.446	22%	0.215	S	C	.	.	H	α-helix	trans	-58.3	-48.9	177.3	0	0	0	0	0	111.7	E194 S200 T201 T202	E194-A198 WeakPolarHBondContact O-CB 3.3Å; E194-A198 PolarHBondContact O-N 3.33Å; A198-S200 VanDerWaalsContact C-N 3.33Å; A198-S200 PolarHBondContact O-N 3.41Å; A198-T201 PolarHBondContact O-N 3.3Å; A198-T202 WeakPolarHBondContact O-CB 3.32Å; A198-T202 PolarHBondContact O-N 2.77Å; A198-T202 PolarHBondContact O-OG1 2.99Å; A198-T202 VanDerWaalsContact O-OG1 3.07Å
199	A	95.1	Very high	93.8	Very high	43 Å²	43	38.8 Å²	38.8	36%	0.355	22%	0.216	S	C	.	.	H	α-helix	trans	-60.2	-41.5	178.4	0	0	0	0	0	112.5	L157 D195 L197 A203	L157-A199 HydrophobicContact CD2-CB 4.37Å; D195-A199 VanDerWaalsContact O-CB 3.3Å; D195-A199 WeakPolarHBondContact O-CB 3.34Å; D195-A199 PolarHBondContact O-N 3.05Å; L197-A199 PolarHBondContact O-N 3.33Å; A199-A203 WeakPolarHBondContact O-CB 3.42Å; A199-A203 PolarHBondContact O-N 3.14Å
200	S	96.1	Very high	93.7	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-67	-44	176.8	-176.3	0	0	0	0	112	Y33 A196 L197 A198 A203 M204	Y33-S200 PolarHBondContact OH-OG 3.13Å; A196-S200 WeakPolarHBondContact O-CB 3.43Å; A196-S200 PolarHBondContact O-N 2.93Å; L197-S200 PolarHBondContact O-N 2.92Å; A198-S200 VanDerWaalsContact C-N 3.33Å; A198-S200 PolarHBondContact O-N 3.41Å; S200-A203 PolarHBondContact O-N 3.07Å; S200-M204 WeakPolarHBondContact O-CE 3.45Å; S200-M204 VanDerWaalsContact O-CG 3.31Å; S200-M204 WeakPolarHBondContact O-CG 3.36Å; S200-M204 PolarHBondContact O-N 3.41Å
201	T	91	Very high	93.6	Very high	4 Å²	4	39.3 Å²	39.3	3%	0.025	22%	0.224	C	C	.	.	H	α-helix	trans	-62	-48.5	178.7	-59.1	0	0	0	0	111	Y33 L36 L197 A198 A203 M204 S205	Y33-T201 WeakPolarHBondContact CD2-OG1 3.25Å; L36-T201 HydrophobicContact CD1-CG2 4.18Å; L197-T201 WeakPolarHBondContact O-CB 3.25Å; L197-T201 PolarHBondContact O-N 3.39Å; L197-T201 PolarHBondContact O-OG1 3.49Å; A198-T201 PolarHBondContact O-N 3.3Å; T201-A203 VanDerWaalsContact C-N 3.34Å; T201-A203 PolarHBondContact O-N 2.9Å; T201-M204 PolarHBondContact O-N 3.22Å; T201-S205 PolarHBondContact O-N 2.69Å
202	T	91.5	Very high	93.5	Very high	64 Å²	64	39.9 Å²	39.9	39%	0.393	23%	0.23	S	C	.	.	H	α-helix	trans	-60.2	-43.3	177.3	-61.1	0	0	0	0	111.6	A198 M204 S205 N206	A198-T202 WeakPolarHBondContact O-CB 3.32Å; A198-T202 PolarHBondContact O-N 2.77Å; A198-T202 PolarHBondContact O-OG1 2.99Å; A198-T202 VanDerWaalsContact O-OG1 3.07Å; T202-M204 PolarHBondContact O-N 2.68Å; T202-S205 PolarHBondContact O-N 3.17Å; T202-N206 WeakPolarHBondContact O-CB 3.13Å; T202-N206 PolarHBondContact O-N 2.82Å; T202-N206 PolarHBondContact O-OD1 3.38Å
203	A	95.9	Very high	93.4	Very high	19 Å²	19	40.7 Å²	40.7	16%	0.157	23%	0.234	C	C	.	.	H	α-helix	trans	-63.5	-39.8	178	0	0	0	0	0	112.8	I154 L157 A199 S200 T201 F207	I154-A203 HydrophobicContact CG1-CB 4.06Å; L157-A203 HydrophobicContact CD1-CB 3.49Å; L157-A203 VanDerWaalsContact CD1-CB 3.49Å; A199-A203 WeakPolarHBondContact O-CB 3.42Å; A199-A203 PolarHBondContact O-N 3.14Å; S200-A203 PolarHBondContact O-N 3.07Å; T201-A203 VanDerWaalsContact C-N 3.34Å; T201-A203 PolarHBondContact O-N 2.9Å; A203-F207 PolarHBondContact O-N 2.9Å; A203-F207 VanDerWaalsContact O-N 3.13Å
204	M	96.1	Very high	93.4	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-66.8	-44.9	175.4	-67.2	-173.9	-71.7	0	0	111.4	Y33 L36 M40 I154 R158 S200 T201 T202 F207 L208	Y33-M204 HydrophobicContact CD2-CE 3.77Å; Y33-M204 HydrophobicContact CE2-CE 3.33Å; L36-M204 HydrophobicContact CB-CE 3.91Å; L36-M204 HydrophobicContact CB-SD 3.97Å; L36-M204 HydrophobicContact CD1-CE 4.34Å; M40-M204 HydrophobicContact CB-SD 4.46Å; M40-M204 HydrophobicContact CG-CB 4.19Å; M40-M204 HydrophobicContact CG-CG 3.64Å; M40-M204 HydrophobicContact CG-SD 3.6Å; M40-M204 HydrophobicContact SD-CB 4.37Å; M40-M204 HydrophobicContact SD-CG 4.27Å; I154-M204 HydrophobicContact CG2-CG 3.63Å; I154-M204 HydrophobicContact CG2-SD 4.3Å; R158-M204 HydrophobicContact CG-SD 4.45Å; S200-M204 WeakPolarHBondContact O-CE 3.45Å; S200-M204 VanDerWaalsContact O-CG 3.31Å; S200-M204 WeakPolarHBondContact O-CG 3.36Å; S200-M204 PolarHBondContact O-N 3.41Å; T201-M204 PolarHBondContact O-N 3.22Å; T202-M204 PolarHBondContact O-N 2.68Å; M204-F207 PolarHBondContact O-N 2.99Å; M204-L208 WeakPolarHBondContact O-CG 3.28Å; M204-L208 PolarHBondContact O-N 3.21Å; M204-L208 VanDerWaalsContact O-N 3.07Å
205	S	88.7	Confident	93.7	Very high	21 Å²	21	43.8 Å²	43.8	15%	0.147	25%	0.252	C	S	.	.	H	α-helix	trans	-58.5	-50.4	176.1	-169.2	0	0	0	0	111.5	T201 T202 F207 L208 D209	T201-S205 PolarHBondContact O-N 2.69Å; T202-S205 PolarHBondContact O-N 3.17Å; S205-F207 PolarHBondContact O-N 2.95Å; S205-L208 WeakPolarHBondContact O-CB 3.41Å; S205-L208 PolarHBondContact O-N 3.19Å; S205-D209 PolarHBondContact O-N 3.23Å
206	N	91.2	Very high	93.8	Very high	96 Å²	96	44.8 Å²	44.8	51%	0.513	25%	0.251	S	S	.	.	H	α-helix	trans	-59.7	-35.2	179.8	-69.2	-2	0	0	0	111.9	T202 D209 T210	T202-N206 WeakPolarHBondContact O-CB 3.13Å; T202-N206 PolarHBondContact O-N 2.82Å; T202-N206 PolarHBondContact O-OD1 3.38Å; N206-D209 PolarHBondContact O-N 3.46Å; N206-T210 WeakPolarHBondContact O-CG2 3.23Å
207	F	95.6	Very high	93.9	Very high	7 Å²	7	45.4 Å²	45.4	3%	0.031	25%	0.254	C	S	.	.	H	α-helix	trans	-65.9	-44.8	174.5	174.8	-89.6	0	0	0	112	M40 Y43 Y47 K146 D150 I151 I154 A203 M204 S205 D209 T210	M40-F207 HydrophobicContact CE-CD1 3.64Å; M40-F207 HydrophobicContact CE-CE1 3.82Å; M40-F207 HydrophobicContact CE-CG 4.05Å; M40-F207 HydrophobicContact CE-CZ 4.35Å; M40-F207 HydrophobicContact SD-CD1 3.73Å; M40-F207 HydrophobicContact SD-CE1 4.22Å; M40-F207 HydrophobicContact SD-CG 4.42Å; Y43-F207 AromaticContact CD1-CE1 3.76Å; Y43-F207 HydrophobicContact CD1-CE1 3.76Å; Y43-F207 HydrophobicContact CD1-CZ 4.07Å; Y43-F207 AromaticContact CD2-CE1 3.95Å; Y43-F207 HydrophobicContact CD2-CE1 3.95Å; Y43-F207 HydrophobicContact CE1-CE1 4.03Å; Y43-F207 HydrophobicContact CE2-CE1 4.24Å; Y43-F207 AromaticContact CG-CE1 3.7Å; Y43-F207 HydrophobicContact CG-CE1 3.7Å; Y43-F207 HydrophobicContact CG-CZ 4.25Å; Y47-F207 AromaticContact CE2-CZ 3.95Å; Y47-F207 HydrophobicContact CE2-CZ 3.95Å; K146-F207 HydrophobicContact CD-CE2 4.24Å; D150-F207 HydrophobicContact CB-CD2 3.93Å; D150-F207 HydrophobicContact CB-CE2 4.22Å; I151-F207 HydrophobicContact CD1-CE2 4.49Å; I151-F207 HydrophobicContact CD1-CZ 4.3Å; I151-F207 HydrophobicContact CG1-CE2 3.99Å; I151-F207 HydrophobicContact CG1-CZ 4.17Å; I154-F207 HydrophobicContact CD1-CB 3.62Å; I154-F207 HydrophobicContact CD1-CD2 4.28Å; I154-F207 HydrophobicContact CD1-CG 3.96Å; A203-F207 PolarHBondContact O-N 2.9Å; A203-F207 VanDerWaalsContact O-N 3.13Å; M204-F207 PolarHBondContact O-N 2.99Å; S205-F207 PolarHBondContact O-N 2.95Å; F207-D209 PolarHBondContact O-N 3.2Å; F207-T210 WeakPolarHBondContact O-CB 3.37Å; F207-T210 PolarHBondContact O-N 3.06Å; F207-T210 PolarHBondContact O-OG1 3.26Å
208	L	92.1	Very high	94.1	Very high	21 Å²	21	49.1 Å²	49.1	11%	0.11	27%	0.274	C	S	.	.	H	α-helix	trans	-63.9	-28.5	176.8	-63.4	175.3	0	0	0	112.2	I10 L36 L39 Y43 M204 S205 T210	I10-L208 HydrophobicContact CD1-CD1 4.26Å; L36-L208 HydrophobicContact CD2-CD1 3.65Å; L39-L208 HydrophobicContact CD2-CD1 3.92Å; L39-L208 HydrophobicContact CD2-CD2 3.69Å; L39-L208 HydrophobicContact CD2-CG 4.47Å; L39-L208 HydrophobicContact CG-CD2 4.3Å; Y43-L208 HydrophobicContact CD2-CD2 4.26Å; Y43-L208 HydrophobicContact CE2-CD2 3.46Å; Y43-L208 VanDerWaalsContact CE2-CD2 3.46Å; M204-L208 WeakPolarHBondContact O-CG 3.28Å; M204-L208 PolarHBondContact O-N 3.21Å; M204-L208 VanDerWaalsContact O-N 3.07Å; S205-L208 WeakPolarHBondContact O-CB 3.41Å; S205-L208 PolarHBondContact O-N 3.19Å; L208-T210 PolarHBondContact O-N 2.77Å
209	D	91.2	Very high	94.4	Very high	74 Å²	74	49.1 Å²	49.1	40%	0.396	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-12.7	173.3	-71	-41.8	0	0	0	113.5	K7 S205 N206 F207 E211	K7-D209 WeakPolarHBondContact CE-OD1 3.25Å; K7-D209 IonicContact NZ-OD1 3.57Å; K7-D209 PolarHBondContact NZ-OD1 2.88Å; S205-D209 PolarHBondContact O-N 3.23Å; N206-D209 PolarHBondContact O-N 3.46Å; F207-D209 PolarHBondContact O-N 3.2Å; D209-E211 VanDerWaalsContact C-N 3.3Å; D209-E211 PolarHBondContact O-N 3.05Å
210	T	93.8	Very high	94.6	Very high	30 Å²	30	50.4 Å²	50.4	18%	0.184	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	14.1	177.3	71.1	0	0	0	0	115.1	K146 N206 F207 L208 V212 E213 Q214	K146-T210 PolarHBondContact NZ-OG1 2.82Å; N206-T210 WeakPolarHBondContact O-CG2 3.23Å; F207-T210 WeakPolarHBondContact O-CB 3.37Å; F207-T210 PolarHBondContact O-N 3.06Å; F207-T210 PolarHBondContact O-OG1 3.26Å; L208-T210 PolarHBondContact O-N 2.77Å; T210-V212 VanDerWaalsContact C-N 3.26Å; T210-V212 PolarHBondContact O-N 2.9Å; T210-E213 WeakPolarHBondContact CA-OE2 3.01Å; T210-E213 PolarHBondContact O-N 2.86Å; T210-Q214 WeakPolarHBondContact O-CG 3.24Å; T210-Q214 PolarHBondContact O-N 3.42Å; T210-Q214 VanDerWaalsContact O-N 3.12Å; T210-Q214 PolarHBondContact OG1-NE2 3.31Å; T210-Q214 VanDerWaalsContact OG1-NE2 3.14Å
211	E	92	Very high	94.7	Very high	66 Å²	66	52.1 Å²	52.1	31%	0.308	28%	0.279	S	S	.	.	H	α-helix	trans	-59.9	-35.4	-176.1	-175.7	176.6	-151.3	0	0	112.7	D209 E213 Q214 I215	D209-E211 VanDerWaalsContact C-N 3.3Å; D209-E211 PolarHBondContact O-N 3.05Å; E211-E213 VanDerWaalsContact C-N 3.31Å; E211-E213 PolarHBondContact O-N 3.38Å; E211-Q214 WeakPolarHBondContact O-CB 3.23Å; E211-Q214 PolarHBondContact O-N 3.36Å; E211-I215 HydrophobicContact CG-CD1 4.03Å; E211-I215 HydrophobicContact CG-CG1 4.39Å; E211-I215 WeakPolarHBondContact O-CG1 3.39Å; E211-I215 PolarHBondContact O-N 3.29Å
212	V	94	Very high	95	Very high	84 Å²	84	55.6 Å²	55.6	51%	0.509	30%	0.3	S	S	.	.	H	α-helix	trans	-61	-42	177.7	176.4	0	0	0	0	110.8	T210 Q214 I215 K216	T210-V212 VanDerWaalsContact C-N 3.26Å; T210-V212 PolarHBondContact O-N 2.9Å; V212-Q214 VanDerWaalsContact C-N 3.33Å; V212-I215 PolarHBondContact O-N 2.68Å; V212-K216 HydrophobicContact CG1-CD 4.5Å; V212-K216 VanDerWaalsContact O-CG 3.3Å; V212-K216 WeakPolarHBondContact O-CG 3.3Å; V212-K216 PolarHBondContact O-N 2.99Å
213	E	95.3	Very high	95.4	Very high	92 Å²	92	56.5 Å²	56.5	43%	0.43	30%	0.303	S	S	.	.	H	α-helix	trans	-67.2	-34.3	174.5	-65.1	74.6	-164.1	0	0	112.1	T210 E211 K216 T217	T210-E213 WeakPolarHBondContact CA-OE2 3.01Å; T210-E213 PolarHBondContact O-N 2.86Å; E211-E213 VanDerWaalsContact C-N 3.31Å; E211-E213 PolarHBondContact O-N 3.38Å; E213-K216 PolarHBondContact O-N 3.34Å; E213-T217 WeakPolarHBondContact O-CB 3.4Å; E213-T217 PolarHBondContact O-N 3.24Å; E213-T217 PolarHBondContact O-OG1 3.13Å
214	Q	95	Very high	95.5	Very high	25 Å²	25	55.7 Å²	55.7	12%	0.117	30%	0.296	C	S	.	.	H	α-helix	trans	-67.6	-43.1	176.4	-62.8	173.3	34.3	0	0	111.3	Y47 T210 E211 V212 K216 T217 L218	Y47-Q214 VanDerWaalsContact OH-CD 3.32Å; Y47-Q214 VanDerWaalsContact OH-CG 3.31Å; Y47-Q214 WeakPolarHBondContact OH-CG 3.41Å; Y47-Q214 PolarHBondContact OH-OE1 2.9Å; T210-Q214 WeakPolarHBondContact O-CG 3.24Å; T210-Q214 PolarHBondContact O-N 3.42Å; T210-Q214 VanDerWaalsContact O-N 3.12Å; T210-Q214 PolarHBondContact OG1-NE2 3.31Å; T210-Q214 VanDerWaalsContact OG1-NE2 3.14Å; E211-Q214 WeakPolarHBondContact O-CB 3.23Å; E211-Q214 PolarHBondContact O-N 3.36Å; V212-Q214 VanDerWaalsContact C-N 3.33Å; Q214-K216 VanDerWaalsContact C-N 3.34Å; Q214-T217 WeakPolarHBondContact O-CB 3.35Å; Q214-T217 PolarHBondContact O-N 2.9Å; Q214-L218 PolarHBondContact O-N 3.42Å
215	I	96.6	Very high	95.6	Very high	104 Å²	104	57.1 Å²	57.1	53%	0.533	30%	0.303	S	S	.	.	H	α-helix	trans	-63.2	-42	174.6	-67.2	168.2	0	0	0	110.5	E211 V212 T217 L218 S219	E211-I215 HydrophobicContact CG-CD1 4.03Å; E211-I215 HydrophobicContact CG-CG1 4.39Å; E211-I215 WeakPolarHBondContact O-CG1 3.39Å; E211-I215 PolarHBondContact O-N 3.29Å; V212-I215 PolarHBondContact O-N 2.68Å; I215-T217 VanDerWaalsContact C-N 3.33Å; I215-T217 PolarHBondContact O-N 3.07Å; I215-L218 PolarHBondContact O-N 3.05Å; I215-S219 WeakPolarHBondContact O-CB 3.49Å; I215-S219 PolarHBondContact O-N 3.44Å
216	K	97.6	Very high	96.1	Very high	124 Å²	124	60.1 Å²	60.1	54%	0.539	32%	0.317	S	S	.	.	H	α-helix	trans	-59.9	-43.8	173	-73.9	172.2	-178.5	176.5	0	112	V212 E213 Q214 L218 S219 N220	V212-K216 HydrophobicContact CG1-CD 4.5Å; V212-K216 VanDerWaalsContact O-CG 3.3Å; V212-K216 WeakPolarHBondContact O-CG 3.3Å; V212-K216 PolarHBondContact O-N 2.99Å; E213-K216 PolarHBondContact O-N 3.34Å; Q214-K216 VanDerWaalsContact C-N 3.34Å; K216-L218 VanDerWaalsContact C-N 3.35Å; K216-L218 PolarHBondContact O-N 2.95Å; K216-S219 WeakPolarHBondContact O-CB 3.19Å; K216-S219 PolarHBondContact O-N 3.33Å; K216-N220 PolarHBondContact O-N 3.46Å; K216-N220 PolarHBondContact O-OD1 3.25Å
217	T	98	Very high	96.4	Very high	16 Å²	16	57.5 Å²	57.5	10%	0.098	31%	0.305	C	S	.	.	H	α-helix	trans	-58.8	-48.1	176.1	-57.4	0	0	0	0	110.3	Y139 L142 I143 E213 Q214 I215 S219 N220 F221	Y139-T217 HydrophobicContact CD2-CG2 3.6Å; Y139-T217 VanDerWaalsContact CD2-O 3.28Å; Y139-T217 WeakPolarHBondContact CD2-O 3.35Å; Y139-T217 HydrophobicContact CE2-CG2 4.04Å; L142-T217 HydrophobicContact CB-CG2 3.77Å; L142-T217 HydrophobicContact CD1-CG2 4Å; I143-T217 HydrophobicContact CD1-CG2 4.15Å; I143-T217 HydrophobicContact CG1-CG2 4.49Å; E213-T217 WeakPolarHBondContact O-CB 3.4Å; E213-T217 PolarHBondContact O-N 3.24Å; E213-T217 PolarHBondContact O-OG1 3.13Å; Q214-T217 WeakPolarHBondContact O-CB 3.35Å; Q214-T217 PolarHBondContact O-N 2.9Å; I215-T217 VanDerWaalsContact C-N 3.33Å; I215-T217 PolarHBondContact O-N 3.07Å; T217-S219 VanDerWaalsContact C-N 3.31Å; T217-S219 PolarHBondContact O-N 3.04Å; T217-N220 WeakPolarHBondContact O-CB 3.47Å; T217-N220 PolarHBondContact O-N 2.89Å; T217-N220 VanDerWaalsContact O-N 3.15Å; T217-F221 PolarHBondContact O-N 3.03Å
218	L	97.8	Very high	96.6	Very high	88 Å²	88	58 Å²	58	46%	0.461	31%	0.308	S	S	.	.	H	α-helix	trans	-59.9	-40.4	175.6	-177.7	61.6	0	0	0	112.6	Y139 Q214 I215 K216 N220 F221 V222	Y139-L218 HydrophobicContact CE2-CD1 4.37Å; Q214-L218 PolarHBondContact O-N 3.42Å; I215-L218 PolarHBondContact O-N 3.05Å; K216-L218 VanDerWaalsContact C-N 3.35Å; K216-L218 PolarHBondContact O-N 2.95Å; L218-N220 VanDerWaalsContact C-N 3.31Å; L218-N220 PolarHBondContact O-N 3.22Å; L218-F221 WeakPolarHBondContact O-CB 3.31Å; L218-F221 PolarHBondContact O-N 3.3Å; L218-V222 PolarHBondContact O-N 3.01Å; L218-V222 VanDerWaalsContact O-N 3.16Å
219	S	98.4	Very high	96.9	Very high	54 Å²	54	64.2 Å²	64.2	38%	0.378	33%	0.331	S	S	.	.	H	α-helix	trans	-59.5	-40.3	174.9	-175.4	0	0	0	0	112.1	I215 K216 T217 F221 V222 N223	I215-S219 WeakPolarHBondContact O-CB 3.49Å; I215-S219 PolarHBondContact O-N 3.44Å; K216-S219 WeakPolarHBondContact O-CB 3.19Å; K216-S219 PolarHBondContact O-N 3.33Å; T217-S219 VanDerWaalsContact C-N 3.31Å; T217-S219 PolarHBondContact O-N 3.04Å; S219-F221 VanDerWaalsContact C-N 3.3Å; S219-F221 PolarHBondContact O-N 3.46Å; S219-V222 PolarHBondContact O-N 3.02Å; S219-N223 WeakPolarHBondContact O-CB 3.23Å; S219-N223 VanDerWaalsContact O-CG 3.22Å; S219-N223 PolarHBondContact O-N 3.09Å; S219-N223 PolarHBondContact O-ND2 3.47Å; S219-N223 PolarHBondContact OG-ND2 3.33Å
220	N	98.4	Very high	97.3	Very high	69 Å²	69	66.3 Å²	66.3	37%	0.369	34%	0.338	S	S	.	.	H	α-helix	trans	-58.1	-41.9	175.9	-62.7	-18.2	0	0	0	112.2	G138 K216 T217 L218 N223 A224	G138-N220 PolarHBondContact O-ND2 3.4Å; K216-N220 PolarHBondContact O-N 3.46Å; K216-N220 PolarHBondContact O-OD1 3.25Å; T217-N220 WeakPolarHBondContact O-CB 3.47Å; T217-N220 PolarHBondContact O-N 2.89Å; T217-N220 VanDerWaalsContact O-N 3.15Å; L218-N220 VanDerWaalsContact C-N 3.31Å; L218-N220 PolarHBondContact O-N 3.22Å; N220-N223 PolarHBondContact O-N 2.74Å; N220-A224 PolarHBondContact O-N 2.95Å
221	F	98.3	Very high	97.5	Very high	36 Å²	36	66.9 Å²	66.9	16%	0.158	34%	0.34	C	S	.	.	H	α-helix	trans	-62.1	-50.1	176.1	172	-119.4	0	0	0	111.4	V54 T135 Y139 T217 L218 S219 N223 A224 Q225	V54-F221 HydrophobicContact CG1-CD2 4.25Å; V54-F221 HydrophobicContact CG1-CE2 3.79Å; V54-F221 HydrophobicContact CG1-CZ 4.29Å; V54-F221 HydrophobicContact CG2-CE2 4.47Å; V54-F221 HydrophobicContact CG2-CZ 4.22Å; T135-F221 HydrophobicContact CG2-CD2 3.49Å; T135-F221 VanDerWaalsContact CG2-CD2 3.49Å; T135-F221 HydrophobicContact CG2-CE2 3.86Å; Y139-F221 HydrophobicContact CD1-CB 4.19Å; Y139-F221 HydrophobicContact CD1-CD2 4.43Å; Y139-F221 HydrophobicContact CD1-CG 4.36Å; Y139-F221 HydrophobicContact CD2-CB 3.63Å; Y139-F221 HydrophobicContact CE2-CB 4.09Å; Y139-F221 HydrophobicContact CG-CB 3.66Å; Y139-F221 HydrophobicContact CG-CG 4.33Å; T217-F221 PolarHBondContact O-N 3.03Å; L218-F221 WeakPolarHBondContact O-CB 3.31Å; L218-F221 PolarHBondContact O-N 3.3Å; S219-F221 VanDerWaalsContact C-N 3.3Å; S219-F221 PolarHBondContact O-N 3.46Å; F221-N223 VanDerWaalsContact C-N 3.28Å; F221-N223 PolarHBondContact O-N 3.32Å; F221-A224 PolarHBondContact O-N 3.26Å; F221-Q225 HydrophobicContact CD2-CG 4.16Å; F221-Q225 HydrophobicContact CE1-CG 4.39Å; F221-Q225 HydrophobicContact CE2-CG 3.72Å; F221-Q225 HydrophobicContact CZ-CG 3.86Å; F221-Q225 WeakPolarHBondContact O-CG 3.34Å; F221-Q225 PolarHBondContact O-N 3.48Å; F221-Q225 VanDerWaalsContact O-N 3.07Å
222	V	98.6	Very high	97.8	Very high	78 Å²	78	64.2 Å²	64.2	47%	0.473	33%	0.33	S	S	.	.	H	α-helix	trans	-60.8	-39.4	179.8	176.3	0	0	0	0	111.3	L218 S219 Q225 L226	L218-V222 PolarHBondContact O-N 3.01Å; L218-V222 VanDerWaalsContact O-N 3.16Å; S219-V222 PolarHBondContact O-N 3.02Å; V222-Q225 PolarHBondContact O-N 3.25Å; V222-L226 WeakPolarHBondContact O-CB 3.46Å; V222-L226 PolarHBondContact O-N 3.46Å
223	N	98.6	Very high	98.1	Very high	83 Å²	83	63.2 Å²	63.2	44%	0.444	33%	0.33	S	S	.	.	H	α-helix	trans	-65	-42.1	177.5	-70.3	-25.3	0	0	0	112.4	S219 N220 F221 Q225 L226 S227	S219-N223 WeakPolarHBondContact O-CB 3.23Å; S219-N223 VanDerWaalsContact O-CG 3.22Å; S219-N223 PolarHBondContact O-N 3.09Å; S219-N223 PolarHBondContact O-ND2 3.47Å; S219-N223 PolarHBondContact OG-ND2 3.33Å; N220-N223 PolarHBondContact O-N 2.74Å; F221-N223 VanDerWaalsContact C-N 3.28Å; F221-N223 PolarHBondContact O-N 3.32Å; N223-Q225 VanDerWaalsContact C-N 3.3Å; N223-Q225 PolarHBondContact O-N 3.18Å; N223-L226 PolarHBondContact O-N 2.78Å; N223-S227 WeakPolarHBondContact O-CB 3.49Å; N223-S227 PolarHBondContact O-N 3.13Å
224	A	98.6	Very high	98.2	Very high	2 Å²	2	64.9 Å²	64.9	2%	0.017	33%	0.332	C	S	.	.	H	α-helix	trans	-61.6	-40.2	175.4	0	0	0	0	0	111.5	S131 E134 N220 F221 F228	S131-A224 WeakPolarHBondContact CB-O 3.41Å; S131-A224 VanDerWaalsContact OG-C 3.26Å; S131-A224 PolarHBondContact OG-O 2.77Å; E134-A224 HydrophobicContact CB-CB 3.8Å; N220-A224 PolarHBondContact O-N 2.95Å; F221-A224 PolarHBondContact O-N 3.26Å; A224-F228 PolarHBondContact O-N 3.02Å
225	Q	98.4	Very high	98.4	Very high	30 Å²	30	64.3 Å²	64.3	14%	0.14	33%	0.33	C	S	.	.	H	α-helix	trans	-67	-45.8	175	-62.9	-55.5	-69.1	0	0	111.7	S131 F221 V222 N223 S227 F228 Y229	S131-Q225 PolarHBondContact OG-NE2 3.07Å; F221-Q225 HydrophobicContact CD2-CG 4.16Å; F221-Q225 HydrophobicContact CE1-CG 4.39Å; F221-Q225 HydrophobicContact CE2-CG 3.72Å; F221-Q225 HydrophobicContact CZ-CG 3.86Å; F221-Q225 WeakPolarHBondContact O-CG 3.34Å; F221-Q225 PolarHBondContact O-N 3.48Å; F221-Q225 VanDerWaalsContact O-N 3.07Å; V222-Q225 PolarHBondContact O-N 3.25Å; N223-Q225 VanDerWaalsContact C-N 3.3Å; N223-Q225 PolarHBondContact O-N 3.18Å; Q225-S227 VanDerWaalsContact C-N 3.33Å; Q225-S227 PolarHBondContact O-N 2.74Å; Q225-F228 PolarHBondContact O-N 2.72Å; Q225-Y229 WeakPolarHBondContact O-CD2 3.49Å; Q225-Y229 PolarHBondContact O-N 2.83Å
226	L	98.7	Very high	98.5	Very high	84 Å²	84	62.9 Å²	62.9	44%	0.44	32%	0.323	S	S	.	.	H	α-helix	trans	-58.3	-45.8	179.3	179.4	62.1	0	0	0	111.5	V222 N223 F228 Y229 Q230	V222-L226 WeakPolarHBondContact O-CB 3.46Å; V222-L226 PolarHBondContact O-N 3.46Å; N223-L226 PolarHBondContact O-N 2.78Å; L226-F228 PolarHBondContact O-N 2.78Å; L226-Y229 PolarHBondContact O-N 2.66Å; L226-Q230 HydrophobicContact CD1-CG 4.04Å; L226-Q230 HydrophobicContact CG-CG 4.37Å; L226-Q230 WeakPolarHBondContact O-CB 3.23Å; L226-Q230 VanDerWaalsContact O-CG 3.29Å; L226-Q230 WeakPolarHBondContact O-CG 3.16Å; L226-Q230 PolarHBondContact O-N 3.06Å
227	S	98.5	Very high	98.6	Very high	40 Å²	40	60.9 Å²	60.9	28%	0.28	32%	0.324	S	S	.	.	H	α-helix	trans	-54.9	-50.7	177.4	-169.8	0	0	0	0	111.3	N223 Q225 Y229 Q230 D231	N223-S227 WeakPolarHBondContact O-CB 3.49Å; N223-S227 PolarHBondContact O-N 3.13Å; Q225-S227 VanDerWaalsContact C-N 3.33Å; Q225-S227 PolarHBondContact O-N 2.74Å; S227-Y229 PolarHBondContact O-N 3.23Å; S227-Q230 PolarHBondContact O-N 3.44Å; S227-D231 PolarHBondContact O-N 2.9Å
228	F	98.5	Very high	98.6	Very high	18 Å²	18	64.9 Å²	64.9	8%	0.079	35%	0.345	C	S	.	.	H	α-helix	trans	-58.9	-50.3	177.4	167.1	-118.7	0	0	0	113.1	I124 K128 A224 Q225 L226 Q230 D231 A232	I124-F228 HydrophobicContact CG2-CE2 4.03Å; I124-F228 HydrophobicContact CG2-CZ 4.35Å; K128-F228 HydrophobicContact CB-CD2 3.94Å; K128-F228 HydrophobicContact CB-CE2 3.47Å; K128-F228 VanDerWaalsContact CB-CE2 3.47Å; K128-F228 HydrophobicContact CB-CZ 3.94Å; K128-F228 HydrophobicContact CD-CE2 4.33Å; K128-F228 HydrophobicContact CD-CZ 3.96Å; K128-F228 HydrophobicContact CG-CD2 4.45Å; K128-F228 HydrophobicContact CG-CE1 4.4Å; K128-F228 HydrophobicContact CG-CE2 3.93Å; K128-F228 HydrophobicContact CG-CZ 3.9Å; A224-F228 PolarHBondContact O-N 3.02Å; Q225-F228 PolarHBondContact O-N 2.72Å; L226-F228 PolarHBondContact O-N 2.78Å; F228-Q230 VanDerWaalsContact C-N 3.3Å; F228-Q230 PolarHBondContact O-N 3.42Å; F228-D231 PolarHBondContact O-N 3.26Å; F228-A232 HydrophobicContact CE2-CB 4.26Å; F228-A232 WeakPolarHBondContact O-CB 3.29Å; F228-A232 PolarHBondContact O-N 3.42Å
229	Y	98.7	Very high	98.7	Very high	151 Å²	151	61.8 Å²	61.8	59%	0.592	33%	0.329	S	S	*	.	H	α-helix	trans	-66.9	-32.9	-177.5	-76.7	-68.6	0	0	0	112.4	Q225 L226 S227 A233	Q225-Y229 WeakPolarHBondContact O-CD2 3.49Å; Q225-Y229 PolarHBondContact O-N 2.83Å; L226-Y229 PolarHBondContact O-N 2.66Å; S227-Y229 PolarHBondContact O-N 3.23Å; Y229-A233 VanDerWaalsContact O-CB 3.28Å; Y229-A233 WeakPolarHBondContact O-CB 3.27Å; Y229-A233 PolarHBondContact O-N 2.88Å
230	Q	98.8	Very high	98.7	Very high	119 Å²	119	64.5 Å²	64.5	56%	0.556	34%	0.336	S	S	*	.	H	α-helix	trans	-66.6	-44.7	173.5	-75.3	177.9	-21.5	0	0	111.7	L226 S227 F228 A233 R234	L226-Q230 HydrophobicContact CD1-CG 4.04Å; L226-Q230 HydrophobicContact CG-CG 4.37Å; L226-Q230 WeakPolarHBondContact O-CB 3.23Å; L226-Q230 VanDerWaalsContact O-CG 3.29Å; L226-Q230 WeakPolarHBondContact O-CG 3.16Å; L226-Q230 PolarHBondContact O-N 3.06Å; S227-Q230 PolarHBondContact O-N 3.44Å; F228-Q230 VanDerWaalsContact C-N 3.3Å; F228-Q230 PolarHBondContact O-N 3.42Å; Q230-A233 PolarHBondContact O-N 3.35Å; Q230-R234 WeakPolarHBondContact O-CB 3.37Å; Q230-R234 PolarHBondContact O-N 2.98Å
231	D	98.8	Very high	98.7	Very high	41 Å²	41	62.7 Å²	62.7	22%	0.219	33%	0.333	C	S	.	.	H	α-helix	trans	-64	-46.3	176	-86.5	-27.9	0	0	0	112.2	S127 S227 F228 A233 R234 I235	S127-D231 VanDerWaalsContact OG-CB 3.26Å; S127-D231 WeakPolarHBondContact OG-CB 3.18Å; S127-D231 PolarHBondContact OG-OD2 2.88Å; S227-D231 PolarHBondContact O-N 2.9Å; F228-D231 PolarHBondContact O-N 3.26Å; D231-A233 VanDerWaalsContact C-N 3.34Å; D231-A233 PolarHBondContact O-N 3.49Å; D231-R234 PolarHBondContact O-N 3Å; D231-R234 IonicContact OD1-CZ 3.52Å; D231-R234 IonicContact OD1-NE 2.68Å; D231-R234 IonicContact OD1-NH2 3.48Å; D231-R234 PolarHBondContact OD1-NH2 3.08Å; D231-I235 WeakPolarHBondContact O-CB 3.3Å; D231-I235 WeakPolarHBondContact O-CD1 3.36Å; D231-I235 WeakPolarHBondContact O-CG1 3.31Å; D231-I235 PolarHBondContact O-N 3.46Å
232	A	98.8	Very high	98.7	Very high	11 Å²	11	62.1 Å²	62.1	9%	0.091	34%	0.337	C	S	.	.	H	α-helix	trans	-60	-44.7	178.3	0	0	0	0	0	111.4	I124 F228 R234 I235 L236	I124-A232 HydrophobicContact CG2-CB 4.39Å; F228-A232 HydrophobicContact CE2-CB 4.26Å; F228-A232 WeakPolarHBondContact O-CB 3.29Å; F228-A232 PolarHBondContact O-N 3.42Å; A232-R234 PolarHBondContact O-N 3.26Å; A232-I235 PolarHBondContact O-N 3.3Å; A232-L236 WeakPolarHBondContact O-CB 3.48Å; A232-L236 WeakPolarHBondContact O-CG 3.36Å; A232-L236 PolarHBondContact O-N 3.32Å
233	A	98.9	Very high	98.7	Very high	62 Å²	62	60.9 Å²	60.9	51%	0.512	33%	0.327	S	S	.	.	H	α-helix	trans	-61.2	-44	176.4	0	0	0	0	0	112	Y229 Q230 D231 L236 S237	Y229-A233 VanDerWaalsContact O-CB 3.28Å; Y229-A233 WeakPolarHBondContact O-CB 3.27Å; Y229-A233 PolarHBondContact O-N 2.88Å; Q230-A233 PolarHBondContact O-N 3.35Å; D231-A233 VanDerWaalsContact C-N 3.34Å; D231-A233 PolarHBondContact O-N 3.49Å; A233-L236 PolarHBondContact O-N 3.36Å; A233-S237 WeakPolarHBondContact O-CB 3.37Å; A233-S237 PolarHBondContact O-N 2.91Å
234	R	98.9	Very high	98.7	Very high	128 Å²	128	62 Å²	62	48%	0.483	33%	0.33	S	S	.	.	H	α-helix	trans	-61.5	-48.7	176	179.5	-179.8	56.7	73.7	0.5	111.5	Q230 D231 A232 L236 S237 D238	Q230-R234 WeakPolarHBondContact O-CB 3.37Å; Q230-R234 PolarHBondContact O-N 2.98Å; D231-R234 PolarHBondContact O-N 3Å; D231-R234 IonicContact OD1-CZ 3.52Å; D231-R234 IonicContact OD1-NE 2.68Å; D231-R234 IonicContact OD1-NH2 3.48Å; D231-R234 PolarHBondContact OD1-NH2 3.08Å; A232-R234 PolarHBondContact O-N 3.26Å; R234-L236 VanDerWaalsContact C-N 3.32Å; R234-L236 PolarHBondContact O-N 3.43Å; R234-S237 WeakPolarHBondContact O-CB 3.37Å; R234-S237 PolarHBondContact O-N 3.09Å; R234-D238 IonicContact NH1-OD2 2.95Å; R234-D238 VanDerWaalsContact O-CG 3.31Å; R234-D238 PolarHBondContact O-N 3.07Å
235	I	98.9	Very high	98.5	Very high	13 Å²	13	67.3 Å²	67.3	7%	0.067	36%	0.356	C	S	.	.	H	α-helix	trans	-59	-44.2	179.5	-68.4	159.9	0	0	0	111.2	A120 K123 I124 D231 A232 D238 L239	A120-I235 HydrophobicContact CB-CG2 3.89Å; A120-I235 WeakPolarHBondContact O-CG2 3.37Å; K123-I235 HydrophobicContact CB-CD1 3.76Å; K123-I235 HydrophobicContact CB-CG1 4.33Å; K123-I235 HydrophobicContact CB-CG2 4.4Å; I124-I235 HydrophobicContact CD1-CG2 4.23Å; I124-I235 HydrophobicContact CG1-CB 4.17Å; I124-I235 HydrophobicContact CG1-CD1 4.03Å; I124-I235 HydrophobicContact CG1-CG2 3.84Å; D231-I235 WeakPolarHBondContact O-CB 3.3Å; D231-I235 WeakPolarHBondContact O-CD1 3.36Å; D231-I235 WeakPolarHBondContact O-CG1 3.31Å; D231-I235 PolarHBondContact O-N 3.46Å; A232-I235 PolarHBondContact O-N 3.3Å; I235-D238 PolarHBondContact O-N 3.36Å; I235-L239 WeakPolarHBondContact O-CB 3.39Å; I235-L239 PolarHBondContact O-N 2.99Å
236	L	98.9	Very high	98.3	Very high	74 Å²	74	68 Å²	68	39%	0.387	36%	0.357	S	S	.	.	H	α-helix	trans	-68.1	-36.5	178.2	-71	173.2	0	0	0	112.2	Y121 I124 A232 A233 R234 L239 H240	Y121-L236 HydrophobicContact CE2-CD2 4.33Å; I124-L236 HydrophobicContact CD1-CD1 4.43Å; I124-L236 HydrophobicContact CD1-CD2 3.82Å; I124-L236 HydrophobicContact CD1-CG 3.9Å; A232-L236 WeakPolarHBondContact O-CB 3.48Å; A232-L236 WeakPolarHBondContact O-CG 3.36Å; A232-L236 PolarHBondContact O-N 3.32Å; A233-L236 PolarHBondContact O-N 3.36Å; R234-L236 VanDerWaalsContact C-N 3.32Å; R234-L236 PolarHBondContact O-N 3.43Å; L236-L239 HydrophobicContact CD2-CD2 4.45Å; L236-L239 PolarHBondContact O-N 3.34Å; L236-H240 WeakPolarHBondContact O-CB 3.46Å; L236-H240 PolarHBondContact O-N 2.94Å
237	S	98.9	Very high	98.1	Very high	81 Å²	81	68.1 Å²	68.1	57%	0.566	36%	0.358	S	S	*	.	H	α-helix	trans	-62.7	-44.7	173.8	-171.1	0	0	0	0	111.6	A233 R234 H240 G241	A233-S237 WeakPolarHBondContact O-CB 3.37Å; A233-S237 PolarHBondContact O-N 2.91Å; R234-S237 WeakPolarHBondContact O-CB 3.37Å; R234-S237 PolarHBondContact O-N 3.09Å; S237-H240 PolarHBondContact O-N 2.91Å; S237-G241 PolarHBondContact O-N 2.64Å; S237-G241 VanDerWaalsContact O-N 3.1Å
238	D	98.9	Very high	97.8	Very high	101 Å²	101	70.4 Å²	70.4	54%	0.54	37%	0.367	S	S	.	.	H	α-helix	trans	-65.1	-42.9	177.7	-66	-21.5	0	0	0	111.1	R234 I235 G242	R234-D238 IonicContact NH1-OD2 2.95Å; R234-D238 VanDerWaalsContact O-CG 3.31Å; R234-D238 PolarHBondContact O-N 3.07Å; I235-D238 PolarHBondContact O-N 3.36Å; D238-G242 PolarHBondContact O-N 3.47Å
239	L	98.8	Very high	97.4	Very high	23 Å²	23	73.2 Å²	73.2	12%	0.12	38%	0.383	C	S	.	.	H	α-helix	trans	-59.6	-47.7	175.1	174.9	63.4	0	0	0	111	Q116 A120 Y121 I235 L236 G242 L243	Q116-L239 HydrophobicContact CB-CD1 4.09Å; A120-L239 HydrophobicContact CB-CB 4.02Å; A120-L239 HydrophobicContact CB-CD1 4.04Å; A120-L239 HydrophobicContact CB-CD2 3.8Å; A120-L239 HydrophobicContact CB-CG 4.16Å; Y121-L239 HydrophobicContact CE2-CD2 4.43Å; I235-L239 WeakPolarHBondContact O-CB 3.39Å; I235-L239 PolarHBondContact O-N 2.99Å; L236-L239 HydrophobicContact CD2-CD2 4.45Å; L236-L239 PolarHBondContact O-N 3.34Å; L239-G242 PolarHBondContact O-N 2.99Å; L239-L243 HydrophobicContact CD1-CD1 4.11Å; L239-L243 HydrophobicContact CD1-CG 4.06Å; L239-L243 HydrophobicContact CG-CD1 4.05Å; L239-L243 HydrophobicContact CG-CG 4.37Å; L239-L243 WeakPolarHBondContact O-CG 3.37Å; L239-L243 PolarHBondContact O-N 3.01Å
240	H	98.7	Very high	97	Very high	111 Å²	111	67.3 Å²	67.3	51%	0.514	37%	0.365	S	S	.	.	H	α-helix	trans	-58.7	-50.9	-179.4	-178.4	63.1	0	0	0	111.5	L236 S237 G242 L243 E244	L236-H240 WeakPolarHBondContact O-CB 3.46Å; L236-H240 PolarHBondContact O-N 2.94Å; S237-H240 PolarHBondContact O-N 2.91Å; H240-G242 VanDerWaalsContact C-N 3.27Å; H240-G242 PolarHBondContact O-N 2.95Å; H240-L243 PolarHBondContact O-N 3Å; H240-L243 VanDerWaalsContact O-N 3.12Å; H240-E244 IonicContact NE2-OE1 2.69Å; H240-E244 WeakPolarHBondContact O-CG 3.15Å; H240-E244 PolarHBondContact O-N 3Å
241	G	98.6	Very high	96.7	Very high	30 Å²	30	68.1 Å²	68.1	31%	0.309	36%	0.363	S	S	.	.	H	α-helix	trans	-59.9	-37.4	176.3	0	0	0	0	0	112.8	S237 E244 M245	S237-G241 PolarHBondContact O-N 2.64Å; S237-G241 VanDerWaalsContact O-N 3.1Å; G241-E244 PolarHBondContact O-N 3.49Å; G241-M245 WeakPolarHBondContact O-CG 3.34Å; G241-M245 PolarHBondContact O-N 2.87Å; G241-M245 VanDerWaalsContact O-N 3.14Å
242	G	98.2	Very high	96.2	Very high	24 Å²	24	69 Å²	69	25%	0.247	37%	0.367	C	S	.	.	H	α-helix	trans	-63.7	-40.2	174.2	0	0	0	0	0	113.6	D238 L239 H240 R246	D238-G242 PolarHBondContact O-N 3.47Å; L239-G242 PolarHBondContact O-N 2.99Å; H240-G242 VanDerWaalsContact C-N 3.27Å; H240-G242 PolarHBondContact O-N 2.95Å; G242-R246 PolarHBondContact O-N 3.26Å; G242-R246 VanDerWaalsContact O-N 3.1Å
243	L	98.4	Very high	95.5	Very high	52 Å²	52	72.1 Å²	72.1	27%	0.272	38%	0.38	S	S	.	.	H	α-helix	trans	-70.9	-36.1	176.8	-68.9	177.2	0	0	0	112.3	A113 L239 H240 R246 L247	A113-L243 HydrophobicContact CB-CD2 3.74Å; L239-L243 HydrophobicContact CD1-CD1 4.11Å; L239-L243 HydrophobicContact CD1-CG 4.06Å; L239-L243 HydrophobicContact CG-CD1 4.05Å; L239-L243 HydrophobicContact CG-CG 4.37Å; L239-L243 WeakPolarHBondContact O-CG 3.37Å; L239-L243 PolarHBondContact O-N 3.01Å; H240-L243 PolarHBondContact O-N 3Å; H240-L243 VanDerWaalsContact O-N 3.12Å; L243-R246 PolarHBondContact O-N 3.4Å; L243-L247 WeakPolarHBondContact O-CB 3.35Å; L243-L247 PolarHBondContact O-N 2.77Å
244	E	98.1	Very high	94.7	Very high	108 Å²	108	72.3 Å²	72.3	51%	0.505	38%	0.381	S	S	.	.	H	α-helix	trans	-62.1	-44.2	174	-72.3	-170.3	130.6	0	0	111.6	H240 G241 R246 L247 L248	H240-E244 IonicContact NE2-OE1 2.69Å; H240-E244 WeakPolarHBondContact O-CG 3.15Å; H240-E244 PolarHBondContact O-N 3Å; G241-E244 PolarHBondContact O-N 3.49Å; E244-R246 VanDerWaalsContact C-N 3.34Å; E244-R246 PolarHBondContact O-N 3.38Å; E244-L247 WeakPolarHBondContact O-CB 3.35Å; E244-L247 PolarHBondContact O-N 3.46Å; E244-L248 PolarHBondContact O-N 2.85Å
245	M	95.4	Very high	93.9	Very high	113 Å²	113	75.5 Å²	75.5	56%	0.557	39%	0.393	S	S	*	.	H	α-helix	trans	-61.1	-44.4	174.5	-71	-57.1	-56.7	0	0	111.6	G241 L247 L248 D249	G241-M245 WeakPolarHBondContact O-CG 3.34Å; G241-M245 PolarHBondContact O-N 2.87Å; G241-M245 VanDerWaalsContact O-N 3.14Å; M245-L247 VanDerWaalsContact C-N 3.29Å; M245-L247 PolarHBondContact O-N 2.93Å; M245-L248 WeakPolarHBondContact O-CB 3.42Å; M245-L248 PolarHBondContact O-N 3.49Å; M245-L248 VanDerWaalsContact O-N 3.09Å; M245-L248 HydrophobicContact SD-CD1 4.25Å; M245-D249 PolarHBondContact O-N 2.92Å; M245-D249 VanDerWaalsContact O-N 3.11Å
246	R	94.7	Very high	92.9	Very high	44 Å²	44	83.5 Å²	83.5	17%	0.166	42%	0.423	C	S	.	.	H	α-helix	trans	-64.5	-33.5	177.3	-172.9	171.9	-60.7	-68.3	-0.2	113	D109 L112 G242 L243 E244 L248 D249 A250	D109-R246 HydrophobicContact CB-CG 4.43Å; D109-R246 VanDerWaalsContact O-CD 3.25Å; D109-R246 WeakPolarHBondContact O-CD 3.47Å; L112-R246 VanDerWaalsContact CB-CZ 3.43Å; L112-R246 VanDerWaalsContact CB-NH1 3.28Å; G242-R246 PolarHBondContact O-N 3.26Å; G242-R246 VanDerWaalsContact O-N 3.1Å; L243-R246 PolarHBondContact O-N 3.4Å; E244-R246 VanDerWaalsContact C-N 3.34Å; E244-R246 PolarHBondContact O-N 3.38Å; R246-L248 VanDerWaalsContact C-N 3.28Å; R246-L248 PolarHBondContact O-N 3.28Å; R246-D249 PolarHBondContact O-N 2.91Å; R246-A250 WeakPolarHBondContact O-CB 3.3Å; R246-A250 PolarHBondContact O-N 2.9Å
247	L	94	Very high	91.2	Very high	87 Å²	87	86.1 Å²	86.1	46%	0.455	43%	0.433	S	S	.	.	H	α-helix	trans	-62.9	-37.2	173.8	178.1	64.4	0	0	0	111.4	L243 E244 M245 R251	L243-L247 WeakPolarHBondContact O-CB 3.35Å; L243-L247 PolarHBondContact O-N 2.77Å; E244-L247 WeakPolarHBondContact O-CB 3.35Å; E244-L247 PolarHBondContact O-N 3.46Å; M245-L247 VanDerWaalsContact C-N 3.29Å; M245-L247 PolarHBondContact O-N 2.93Å; L247-R251 WeakPolarHBondContact O-CB 3.42Å; L247-R251 VanDerWaalsContact O-CG 3.25Å; L247-R251 WeakPolarHBondContact O-CG 3.27Å; L247-R251 PolarHBondContact O-N 3.32Å; L247-R251 VanDerWaalsContact O-N 3.1Å
248	L	92.7	Very high	89	Confident	88 Å²	88	87.7 Å²	87.7	46%	0.461	44%	0.439	S	S	.	.	H	α-helix	trans	-65.1	-47.7	174	-63.4	173.1	0	0	0	110.9	E244 M245 R246 A250 R251 D252	E244-L248 PolarHBondContact O-N 2.85Å; M245-L248 WeakPolarHBondContact O-CB 3.42Å; M245-L248 PolarHBondContact O-N 3.49Å; M245-L248 VanDerWaalsContact O-N 3.09Å; M245-L248 HydrophobicContact SD-CD1 4.25Å; R246-L248 VanDerWaalsContact C-N 3.28Å; R246-L248 PolarHBondContact O-N 3.28Å; L248-A250 PolarHBondContact O-N 3.41Å; L248-R251 PolarHBondContact O-N 3.38Å; L248-D252 PolarHBondContact O-N 2.86Å; L248-D252 VanDerWaalsContact O-N 3.09Å
249	D	89.8	Confident	86.7	Confident	77 Å²	77	88.7 Å²	88.7	41%	0.412	45%	0.451	S	S	.	.	H	α-helix	trans	-58.6	-47.4	177.5	-66.6	-27.8	0	0	0	111.4	M245 R246 R251 D252 H253	M245-D249 PolarHBondContact O-N 2.92Å; M245-D249 VanDerWaalsContact O-N 3.11Å; R246-D249 PolarHBondContact O-N 2.91Å; D249-R251 VanDerWaalsContact C-N 3.32Å; D249-R251 PolarHBondContact O-N 2.84Å; D249-D252 CarbonylContact O-C 3.59Å; D249-D252 PolarHBondContact O-N 2.94Å; D249-D252 VanDerWaalsContact O-N 3.07Å; D249-H253 PolarHBondContact O-N 2.87Å; D249-H253 PolarHBondContact O-ND1 3.07Å
250	A	90.4	Very high	84.2	Confident	27 Å²	27	97.1 Å²	97.1	22%	0.223	48%	0.483	C	S	.	.	H	α-helix	trans	-60.8	-38.9	179.2	0	0	0	0	0	112.8	D109 R246 L248 D252 H253 A254	D109-A250 HydrophobicContact CB-CB 3.7Å; D109-A250 VanDerWaalsContact OD2-CA 3.32Å; D109-A250 WeakPolarHBondContact OD2-CA 3.27Å; D109-A250 WeakPolarHBondContact OD2-CB 3.25Å; R246-A250 WeakPolarHBondContact O-CB 3.3Å; R246-A250 PolarHBondContact O-N 2.9Å; L248-A250 PolarHBondContact O-N 3.41Å; A250-D252 VanDerWaalsContact C-N 3.31Å; A250-D252 PolarHBondContact O-N 3.31Å; A250-H253 PolarHBondContact O-N 3.28Å; A250-A254 WeakPolarHBondContact O-CB 3.38Å; A250-A254 PolarHBondContact O-N 3.19Å
251	R	91	Very high	81.3	Confident	136 Å²	136	96.7 Å²	96.7	51%	0.513	49%	0.49	S	S	.	.	H	α-helix	trans	-64.1	-38.6	174.8	-77.5	170.1	174	174.6	0.5	111.6	L247 L248 D249 R255	L247-R251 WeakPolarHBondContact O-CB 3.42Å; L247-R251 VanDerWaalsContact O-CG 3.25Å; L247-R251 WeakPolarHBondContact O-CG 3.27Å; L247-R251 PolarHBondContact O-N 3.32Å; L247-R251 VanDerWaalsContact O-N 3.1Å; L248-R251 PolarHBondContact O-N 3.38Å; D249-R251 VanDerWaalsContact C-N 3.32Å; D249-R251 PolarHBondContact O-N 2.84Å; R251-R255 VanDerWaalsContact O-CG 3.27Å; R251-R255 WeakPolarHBondContact O-CG 3.27Å; R251-R255 PolarHBondContact O-N 3.43Å
252	D	88.7	Confident	78.7	Confident	59 Å²	59	102.5 Å²	102.5	32%	0.316	51%	0.512	S	S	.	.	H	α-helix	trans	-73.1	-37	177.1	-77.8	-9.9	0	0	0	112.3	L248 D249 A250 R255 R256	L248-D252 PolarHBondContact O-N 2.86Å; L248-D252 VanDerWaalsContact O-N 3.09Å; D249-D252 CarbonylContact O-C 3.59Å; D249-D252 PolarHBondContact O-N 2.94Å; D249-D252 VanDerWaalsContact O-N 3.07Å; A250-D252 VanDerWaalsContact C-N 3.31Å; A250-D252 PolarHBondContact O-N 3.31Å; D252-R255 PolarHBondContact O-N 3.2Å; D252-R255 IonicContact OD1-NH1 3.1Å; D252-R255 PolarHBondContact OD1-NH1 3.13Å; D252-R255 VanDerWaalsContact OD1-NH1 3.1Å; D252-R256 WeakPolarHBondContact O-CG 3.45Å; D252-R256 PolarHBondContact O-N 3.07Å; D252-R256 VanDerWaalsContact O-N 3.15Å
253	H	83.6	Confident	75.9	Confident	77 Å²	77	106.4 Å²	106.4	36%	0.356	54%	0.536	S	S	.	.	H	α-helix	trans	-59.3	-46.8	169.6	-66.5	126.5	0	0	0	111.5	D109 D249 A250 R255 R256 Q257	D109-H253 IonicContact OD1-CE1 3.79Å; D109-H253 IonicContact OD1-ND1 3.47Å; D109-H253 PolarHBondContact OD1-ND1 3.32Å; D109-H253 IonicContact OD2-CG 3.85Å; D109-H253 IonicContact OD2-ND1 3.13Å; D109-H253 PolarHBondContact OD2-ND1 2.85Å; D109-H253 VanDerWaalsContact OD2-ND1 3.13Å; D249-H253 PolarHBondContact O-N 2.87Å; D249-H253 PolarHBondContact O-ND1 3.07Å; A250-H253 PolarHBondContact O-N 3.28Å; H253-R255 VanDerWaalsContact C-N 3.31Å; H253-R255 PolarHBondContact O-N 2.97Å; H253-R256 PolarHBondContact O-N 2.82Å; H253-R256 VanDerWaalsContact O-N 3.17Å; H253-Q257 WeakPolarHBondContact O-CG 3.47Å; H253-Q257 PolarHBondContact O-N 3.23Å
254	A	82.6	Confident	72.8	Confident	65 Å²	65	108 Å²	108	54%	0.537	55%	0.552	S	S	.	*	H	α-helix	trans	-62.9	-34.5	178.6	0	0	0	0	0	112.8	A250	A250-A254 WeakPolarHBondContact O-CB 3.38Å; A250-A254 PolarHBondContact O-N 3.19Å
255	R	82	Confident	69.9	Low	195 Å²	195	109.1 Å²	109.1	74%	0.736	56%	0.561	S	S	*	*	H	α-helix	trans	-70.2	-31.1	175.3	-75.4	166.8	174.8	171.5	-5.2	113.4	R251 D252 H253	R251-R255 VanDerWaalsContact O-CG 3.27Å; R251-R255 WeakPolarHBondContact O-CG 3.27Å; R251-R255 PolarHBondContact O-N 3.43Å; D252-R255 PolarHBondContact O-N 3.2Å; D252-R255 IonicContact OD1-NH1 3.1Å; D252-R255 PolarHBondContact OD1-NH1 3.13Å; D252-R255 VanDerWaalsContact OD1-NH1 3.1Å; H253-R255 VanDerWaalsContact C-N 3.31Å; H253-R255 PolarHBondContact O-N 2.97Å
256	R	78.7	Confident	67.3	Low	182 Å²	182	111.2 Å²	111.2	69%	0.687	57%	0.574	S	S	*	*	H	α-helix	trans	-82.6	-28.5	-179.8	-70.1	176.1	-168.9	141.3	7.3	112.5	D252 H253 T258	D252-R256 WeakPolarHBondContact O-CG 3.45Å; D252-R256 PolarHBondContact O-N 3.07Å; D252-R256 VanDerWaalsContact O-N 3.15Å; H253-R256 PolarHBondContact O-N 2.82Å; H253-R256 VanDerWaalsContact O-N 3.17Å; R256-T258 PolarHBondContact O-N 2.71Å
257	Q	63.9	Low	64.6	Low	129 Å²	129	113.5 Å²	113.5	60%	0.603	60%	0.603	S	S	*	*	S	Bend	trans	-72.8	116.7	172.8	-69.5	179.6	16.6	0	0	108.8	H253	H253-Q257 WeakPolarHBondContact O-CG 3.47Å; H253-Q257 PolarHBondContact O-N 3.23Å
258	T	52.1	Low	62	Low	114 Å²	114	117.2 Å²	117.2	70%	0.699	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-61.8	139.8	167.3	44.6	0	0	0	0	108.3	R256 Y260	R256-T258 PolarHBondContact O-N 2.71Å; T258-Y260 PolarHBondContact O-N 3.36Å
259	P	49.7	Very low	59.4	Low	121 Å²	121	118.1 Å²	118.1	79%	0.786	63%	0.634	S	S	*	*	P	Polyproline II helix	trans	-51.3	121.7	169.1	-19.5	29.6	0	0	0	106.3	P261	P259-P261 WeakPolarHBondContact O-CD 3.35Å
260	Y	46.1	Very low	57	Low	200 Å²	200	122.3 Å²	122.3	78%	0.784	66%	0.656	S	S	*	*			trans	-45.3	120.1	172.2	-76.6	-84.1	0	0	0	106.3	T258 I262	T258-Y260 PolarHBondContact O-N 3.36Å; Y260-I262 PolarHBondContact O-N 3.4Å
261	P	39.4	Very low	54.7	Low	102 Å²	102	128.3 Å²	128.3	66%	0.662	68%	0.683	S	S	*	*			trans	-54.8	117.7	172.5	20.2	-28.5	0	0	0	104.5	P259 S263	P259-P261 WeakPolarHBondContact O-CD 3.35Å; P261-S263 PolarHBondContact O-N 3.16Å
262	I	43.1	Very low	52.1	Low	152 Å²	152	127 Å²	127	78%	0.779	69%	0.692	S	S	*	*			trans	-60.8	90.9	161.2	-56.5	171.5	0	0	0	101.7	Y260 S264	Y260-I262 PolarHBondContact O-N 3.4Å; I262-S264 PolarHBondContact O-N 3.42Å
263	S	38.6	Very low	49.6	Very low	106 Å²	106	129 Å²	129	74%	0.741	71%	0.71	S	S	*	*			trans	-66.8	77.4	167.6	-85.8	0	0	0	0	105.4	P261 N265	P261-S263 PolarHBondContact O-N 3.16Å; S263-N265 PolarHBondContact O-N 2.71Å
264	S	34.9	Very low	47.2	Very low	87 Å²	87	133.5 Å²	133.5	61%	0.608	74%	0.736	S	S	*	*			trans	-58.4	120.2	153.7	-63.7	0	0	0	0	104.7	I262	I262-S264 PolarHBondContact O-N 3.42Å
265	N	37.1	Very low	44.9	Very low	131 Å²	131	140.5 Å²	140.5	70%	0.701	75%	0.75	S	S	*	*	S	Bend	trans	94.9	103.4	172.9	-49.5	-26.4	0	0	0	115.5	S263	S263-N265 PolarHBondContact O-N 2.71Å
266	N	39.9	Very low	42.8	Very low	156 Å²	156	139.4 Å²	139.4	83%	0.834	75%	0.753	S	S	*	*			trans	66.7	81.6	132.7	-55.1	-11.2	0	0	0	117
267	A	38.8	Very low	40.8	Very low	92 Å²	92	137.5 Å²	137.5	76%	0.76	76%	0.756	S	S	*	*				174.4	92.5	127.9	0	0	0	0	0	106.9
268	L	37.8	Very low	39.4	Very low	165 Å²	165	137.8 Å²	137.8	86%	0.864	77%	0.772	S	S	*	*			trans	-56.7	126.1	155.7	-82.6	161.1	0	0	0	105.9	D270	L268-D270 PolarHBondContact O-N 3.19Å
269	P	38.5	Very low	38.7	Very low	108 Å²	108	136 Å²	136	70%	0.701	77%	0.769	S	S	*	*			trans	-58.3	132.3	176	-13.4	24.8	0	0	0	107.9	I271	P269-I271 PolarHBondContact O-N 3.33Å
270	D	41	Very low	37.9	Very low	165 Å²	165	137.1 Å²	137.1	88%	0.882	77%	0.769	S	S	*	*			trans	-49	101.1	173.7	-79.1	-42.3	0	0	0	109.1	L268 P272	L268-D270 PolarHBondContact O-N 3.19Å; D270-P272 WeakPolarHBondContact O-CD 3.27Å
271	I	40.8	Very low	37.3	Very low	153 Å²	153	136.2 Å²	136.2	79%	0.785	77%	0.769	S	S	*	*			trans	-63.5	123.3	169.4	-63.6	173.2	0	0	0	104.9	P269 S273	P269-I271 PolarHBondContact O-N 3.33Å; I271-S273 PolarHBondContact O-N 3.48Å
272	P	37.3	Very low	37	Very low	108 Å²	108	138.9 Å²	138.9	70%	0.701	77%	0.773	S	S	*	*			trans	-51.9	119.2	-179.8	-24.6	32.7	0	0	0	109.3	D270 L274	D270-P272 WeakPolarHBondContact O-CD 3.27Å; P272-L274 VanDerWaalsContact C-N 3.27Å; P272-L274 PolarHBondContact O-N 3.26Å
273	S	36.4	Very low	36.4	Very low	101 Å²	101	139.5 Å²	139.5	71%	0.706	78%	0.775	S	S	*	*			trans	-60.4	86.7	-179.4	-172.8	0	0	0	0	109.8	I271 Y275	I271-S273 PolarHBondContact O-N 3.48Å; S273-Y275 PolarHBondContact O-N 2.98Å
274	L	32.4	Very low	35.9	Very low	171 Å²	171	143.2 Å²	143.2	90%	0.895	78%	0.777	S	S	*	*			trans	-88.5	52.6	170.7	-143.9	82.2	0	0	0	108.6	P272	P272-L274 VanDerWaalsContact C-N 3.27Å; P272-L274 PolarHBondContact O-N 3.26Å
275	Y	35.1	Very low	35.9	Very low	213 Å²	213	144.6 Å²	144.6	84%	0.835	78%	0.784	S	S	*	*			trans	-101.4	89	171.6	-72.8	-76.6	0	0	0	108.9	S273	S273-Y275 PolarHBondContact O-N 2.98Å
276	H	36.8	Very low	35.6	Very low	172 Å²	172	146.7 Å²	146.7	80%	0.796	79%	0.787	S	S	*	*			trans	-139.6	80.4	152.4	-146.3	-46.9	0	0	0	107.7
277	D	38.1	Very low	35.2	Very low	141 Å²	141	150.2 Å²	150.2	75%	0.754	79%	0.79	S	S	*	*				-179.7	120.9	123	-92.7	-11.8	0	0	0	110.7	A279	D277-A279 PolarHBondContact O-N 3.05Å
278	S	33.5	Very low	35.2	Very low	135 Å²	135	149.9 Å²	149.9	94%	0.944	78%	0.776	S	S	*	*			trans	-75.3	86.9	178	-63.6	0	0	0	0	109.2
279	A	38.1	Very low	35.1	Very low	77 Å²	77	148.2 Å²	148.2	64%	0.636	77%	0.768	S	S	*	*			trans	-103.9	104.4	159	0	0	0	0	0	108.2	D277 F281	D277-A279 PolarHBondContact O-N 3.05Å; A279-F281 PolarHBondContact O-N 3.44Å
280	N	31.3	Very low	35.3	Very low	145 Å²	145	152 Å²	152	78%	0.775	78%	0.775	S	S	*	*			trans	-63.8	80.3	-172.5	-155.4	12	0	0	0	111.9
281	F	34.8	Very low	35.6	Very low	180 Å²	180	148 Å²	148	79%	0.789	76%	0.761	S	S	*	*			trans	-102.2	85.4	168.5	-86.8	-87.4	0	0	0	109.9	A279 M283	A279-F281 PolarHBondContact O-N 3.44Å; F281-M283 VanDerWaalsContact C-N 3.32Å; F281-M283 PolarHBondContact O-N 3.4Å
282	Q	31.9	Very low	36	Very low	159 Å²	159	148.4 Å²	148.4	74%	0.743	76%	0.764	S	S	*	*			trans	-67.1	88.5	166	-72.8	-179.3	1.7	0	0	109.8
283	M	30.4	Very low	37.6	Very low	165 Å²	165	150.4 Å²	150.4	81%	0.813	76%	0.758	S	S	*	*			trans	-102.8	87.9	160	-75.4	-77.3	114.9	0	0	107.3	F281	F281-M283 VanDerWaalsContact C-N 3.32Å; F281-M283 PolarHBondContact O-N 3.4Å
284	K	28.9	Very low	39.8	Very low	184 Å²	184	150.1 Å²	150.1	80%	0.8	75%	0.752	S	S	*	*			trans	-60.6	131	167.4	-87.3	-177.5	173.9	-179.9	0	108.4	K286	K284-K286 PolarHBondContact O-N 3.32Å; K284-K286 VanDerWaalsContact O-N 3.15Å
285	P	34.2	Very low	42.7	Very low	115 Å²	115	143.4 Å²	143.4	75%	0.747	72%	0.719	S	S	*	*			trans	-66.9	114.1	168.4	2	10.6	0	0	0	107.6	Y287	P285-Y287 PolarHBondContact O-N 2.86Å
286	K	31.4	Very low	45.5	Very low	176 Å²	176	135.9 Å²	135.9	77%	0.765	69%	0.691	S	S	*	*			trans	-72	111.4	168.5	-74.3	-177.3	176.9	179.1	0	107.3	K284 D288	K284-K286 PolarHBondContact O-N 3.32Å; K284-K286 VanDerWaalsContact O-N 3.15Å; K286-D288 VanDerWaalsContact C-N 3.27Å; K286-D288 PolarHBondContact O-N 3.02Å
287	Y	32.3	Very low	48.3	Very low	229 Å²	229	127.7 Å²	127.7	90%	0.898	65%	0.654	S	S	*	*			trans	-64.8	96.4	156.3	-82.7	-96.8	0	0	0	106.1	P285 D289	P285-Y287 PolarHBondContact O-N 2.86Å; Y287-D289 PolarHBondContact O-N 3.49Å
288	D	38.6	Very low	51	Low	86 Å²	86	123.1 Å²	123.1	46%	0.46	63%	0.631	S	S	.	*			trans	-79.5	116	175.1	-78.8	-17.5	0	0	0	108.6	K286 R293	K286-D288 VanDerWaalsContact C-N 3.27Å; K286-D288 PolarHBondContact O-N 3.02Å; D288-R293 IonicContact OD2-NH2 2.78Å; D288-R293 PolarHBondContact OD2-NH2 2.95Å
289	D	35.6	Very low	53.9	Low	130 Å²	130	116.9 Å²	116.9	70%	0.695	59%	0.587	S	S	*	*			trans	-51.9	132.2	172.5	-178.8	34.1	0	0	0	111.7	Y287 S291	Y287-D289 PolarHBondContact O-N 3.49Å; D289-S291 PolarHBondContact O-N 3.38Å; D289-S291 PolarHBondContact OD2-OG 3.5Å
290	H	41.9	Very low	56.5	Low	186 Å²	186	116.7 Å²	116.7	86%	0.861	58%	0.575	S	S	*	*	S	Bend	trans	-76.7	18.5	-168.3	-79.9	-77.1	0	0	0	114.8
291	S	47	Very low	59.3	Low	83 Å²	83	114.8 Å²	114.8	58%	0.58	56%	0.557	S	S	*	*	S	Bend	trans	-96.7	2.4	-160.9	58.4	0	0	0	0	116.5	D289	D289-S291 PolarHBondContact O-N 3.38Å; D289-S291 PolarHBondContact OD2-OG 3.5Å
292	N	49.7	Very low	62	Low	160 Å²	160	111 Å²	111	86%	0.856	55%	0.545	S	S	*	.	S	Bend	trans	-161.1	28	178.4	-120.2	-6.5	0	0	0	118
293	R	71	Confident	64.7	Low	150 Å²	150	104.5 Å²	104.5	57%	0.566	52%	0.515	S	S	*	.	P	Polyproline II helix	trans	-85.7	119.9	177.4	-68	-172.7	175.9	-178.2	-3.1	110.5	D288 C350	D288-R293 IonicContact OD2-NH2 2.78Å; D288-R293 PolarHBondContact OD2-NH2 2.95Å; R293-C350 HydrophobicContact CB-CB 4.4Å; R293-C350 VanDerWaalsContact CD-SG 3.57Å
294	T	82.1	Confident	67.6	Low	96 Å²	96	102.8 Å²	102.8	59%	0.589	51%	0.509	S	S	*	.	P	Polyproline II helix	trans	-61.7	138.7	170.1	47.5	0	0	0	0	109.6	Q296 C350	T294-Q296 PolarHBondContact O-N 3.13Å; T294-C350 WeakPolarHBondContact O-CB 3.39Å
295	P	94	Very high	70.5	Confident	30 Å²	30	95.8 Å²	95.8	20%	0.195	49%	0.485	C	S	.	.	P	Polyproline II helix	trans	-55	131.7	176.6	-25.7	35	0	0	0	111.3	L321 C350 L352	P295-L321 HydrophobicContact CB-CB 3.84Å; P295-L321 PolarHBondContact O-N 3.14Å; P295-C350 CarbonylContact C-O 3.6Å; P295-C350 WeakPolarHBondContact CA-O 3.49Å; P295-L352 HydrophobicContact CB-CD2 3.78Å; P295-L352 HydrophobicContact CB-CG 4.31Å; P295-L352 HydrophobicContact CG-CD2 4.12Å
296	Q	93.6	Very high	72.8	Confident	55 Å²	55	98.5 Å²	98.5	26%	0.257	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	149.6	-170.9	-161.9	171	47	0	0	111	T294 S318 I319 N320 T349 C350	T294-Q296 PolarHBondContact O-N 3.13Å; Q296-S318 PolarHBondContact NE2-OG 2.72Å; Q296-S318 PolarHBondContact OE1-OG 3.26Å; Q296-I319 WeakPolarHBondContact CA-O 3.37Å; Q296-I319 VanDerWaalsContact CG-O 3.25Å; Q296-I319 WeakPolarHBondContact CG-O 3.35Å; Q296-N320 PolarHBondContact NE2-OD1 3.22Å; Q296-T349 PolarHBondContact O-N 3.17Å; Q296-T349 PolarHBondContact O-OG1 2.59Å; Q296-T349 VanDerWaalsContact O-OG1 3.08Å; Q296-C350 HydrophobicContact CB-CB 4.38Å; Q296-C350 PolarHBondContact N-O 2.88Å; Q296-C350 PolarHBondContact O-N 3.26Å; Q296-C350 VanDerWaalsContact O-O 3.07Å
297	C	95.8	Very high	75.2	Confident	0 Å²	0	92.1 Å²	92.1	0%	0	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	165.4	170	65.3	0	0	0	0	111.1	S318 I319 L321 V346 H347 V348	C297-S318 WeakPolarHBondContact O-CA 3.43Å; C297-I319 PolarHBondContact N-O 3.49Å; C297-I319 PolarHBondContact O-N 2.94Å; C297-L321 HydrophobicContact CB-CD1 3.9Å; C297-L321 HydrophobicContact CB-CG 4.12Å; C297-V346 HydrophobicContact CB-CB 3.95Å; C297-V346 HydrophobicContact CB-CG2 4.03Å; C297-H347 CarbonylContact C-O 3.46Å; C297-H347 VanDerWaalsContact CA-O 3.25Å; C297-H347 WeakPolarHBondContact CA-O 3.23Å; C297-H347 WeakPolarHBondContact CB-O 3.32Å; C297-V348 HydrophobicContact CB-CG2 4.41Å
298	V	95.4	Very high	77.6	Confident	45 Å²	45	87 Å²	87	27%	0.273	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	132.8	175.3	177.4	0	0	0	0	109.2	L300 D317 V346 H347 T349	V298-L300 PolarHBondContact O-N 3.06Å; V298-D317 CarbonylContact C-O 3.54Å; V298-D317 VanDerWaalsContact CA-O 3.31Å; V298-D317 WeakPolarHBondContact CA-O 3.48Å; V298-V346 CarbonylContact O-C 3.59Å; V298-V346 WeakPolarHBondContact O-CA 3.48Å; V298-H347 PolarHBondContact N-O 3.46Å; V298-H347 PolarHBondContact O-N 3.19Å; V298-T349 HydrophobicContact CB-CG2 4.48Å; V298-T349 HydrophobicContact CG2-CG2 3.75Å
299	A	94.1	Very high	79.9	Confident	3 Å²	3	89.9 Å²	89.9	3%	0.025	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	125.9	177.6	0	0	0	0	0	112	F313 C314 G316 D317 I319	A299-F313 HydrophobicContact CB-CD2 3.39Å; A299-F313 HydrophobicContact CB-CE2 3.59Å; A299-F313 HydrophobicContact CB-CG 4.39Å; A299-C314 VanDerWaalsContact CB-O 3.24Å; A299-C314 WeakPolarHBondContact CB-O 3.48Å; A299-G316 PolarHBondContact O-N 3.27Å; A299-D317 HydrophobicContact CB-CB 4.4Å; A299-D317 PolarHBondContact N-O 3.39Å; A299-I319 HydrophobicContact CB-CD1 4.5Å
300	L	91.9	Very high	82.7	Confident	73 Å²	73	86 Å²	86	38%	0.382	45%	0.447	S	S	.	.	S	Bend	trans	-86.2	-25.8	175	-65.4	176	0	0	0	112.2	V298 K315 F345 H347	V298-L300 PolarHBondContact O-N 3.06Å; L300-K315 VanDerWaalsContact O-CD 3.28Å; L300-K315 WeakPolarHBondContact O-CD 3.3Å; L300-K315 WeakPolarHBondContact O-CE 3.44Å; L300-K315 WeakPolarHBondContact O-CG 3.35Å; L300-F345 WeakPolarHBondContact CB-O 3.49Å; L300-F345 PolarHBondContact N-O 3.38Å; L300-H347 HydrophobicContact CD1-CB 4.19Å; L300-H347 HydrophobicContact CD2-CB 3.89Å; L300-H347 HydrophobicContact CG-CB 4.07Å
301	Y	90.6	Very high	85.2	Confident	105 Å²	105	77.2 Å²	77.2	41%	0.412	41%	0.406	S	S	.	.	S	Bend	trans	-141.2	164.8	-177.6	-52.3	-75.8	0	0	0	110.7	Y100 F313	Y100-Y301 PolarHBondContact OH-OH 3.41Å; Y301-F313 WeakPolarHBondContact O-CE2 3.42Å
302	D	90.6	Very high	87.4	Confident	100 Å²	100	75.9 Å²	75.9	54%	0.535	40%	0.397	S	S	.	.			trans	-73.3	140.8	169.7	-57.7	-15.7	0	0	0	109.7	F313 C314 K315 F345	D302-F313 WeakPolarHBondContact CA-O 3.42Å; D302-C314 WeakPolarHBondContact OD1-CA 3.43Å; D302-K315 WeakPolarHBondContact OD1-CB 3.48Å; D302-K315 PolarHBondContact OD1-N 3.46Å; D302-F345 WeakPolarHBondContact O-CE1 3.32Å
303	F	90.4	Very high	89.5	Confident	24 Å²	24	68.7 Å²	68.7	11%	0.105	36%	0.358	C	S	.	.	B	Isolated β-bridge	trans	-132.8	125.2	174.6	-177.6	-103.6	0	0	0	109.8	E310 L311 S312 F313 W329 F341 P342 F345	F303-E310 HydrophobicContact CE1-CB 4.23Å; F303-L311 WeakPolarHBondContact CD1-O 3.16Å; F303-S312 CarbonylContact O-C 3.27Å; F303-S312 VanDerWaalsContact O-CA 3.26Å; F303-S312 WeakPolarHBondContact O-CA 3.46Å; F303-F313 HydrophobicContact CB-CD1 4.28Å; F303-F313 HydrophobicContact CB-CD2 4.08Å; F303-F313 HydrophobicContact CB-CE1 3.82Å; F303-F313 HydrophobicContact CB-CE2 3.58Å; F303-F313 HydrophobicContact CB-CG 4.42Å; F303-F313 HydrophobicContact CB-CZ 3.45Å; F303-F313 VanDerWaalsContact CB-CZ 3.45Å; F303-F313 HydrophobicContact CD1-CD1 4.46Å; F303-F313 AromaticContact CD1-CE1 3.91Å; F303-F313 HydrophobicContact CD1-CE1 3.91Å; F303-F313 HydrophobicContact CD1-CZ 4.27Å; F303-F313 HydrophobicContact CG-CE1 4.19Å; F303-F313 HydrophobicContact CG-CZ 4.08Å; F303-F313 PolarHBondContact N-O 3.45Å; F303-F313 PolarHBondContact O-N 3.08Å; F303-W329 HydrophobicContact CZ-CH2 4.25Å; F303-W329 HydrophobicContact CZ-CZ3 4.2Å; F303-F341 HydrophobicContact CD1-CB 4.19Å; F303-F341 HydrophobicContact CE1-CB 4.15Å; F303-P342 HydrophobicContact CD2-CG 4.21Å; F303-P342 VanDerWaalsContact CE2-CD 3.47Å; F303-P342 HydrophobicContact CE2-CG 3.7Å; F303-P342 HydrophobicContact CZ-CG 4.19Å; F303-F345 HydrophobicContact CB-CD1 3.91Å; F303-F345 HydrophobicContact CB-CE1 4.3Å; F303-F345 HydrophobicContact CD2-CD1 4.01Å; F303-F345 AromaticContact CD2-CE1 3.94Å; F303-F345 HydrophobicContact CD2-CE1 3.94Å; F303-F345 HydrophobicContact CD2-CZ 4.44Å; F303-F345 HydrophobicContact CG-CD1 4.35Å
304	N	90.1	Very high	90.6	Very high	128 Å²	128	65 Å²	65	68%	0.684	36%	0.355	S	S	*	.			trans	-109.5	119.1	178.4	-66.7	-63.5	0	0	0	108.7	E306	N304-E306 PolarHBondContact O-N 2.85Å
305	A	89.5	Confident	91	Very high	37 Å²	37	67.3 Å²	67.3	31%	0.306	36%	0.357	S	S	.	.			trans	-60.1	128.8	177.5	0	0	0	0	0	111.1	E310 S312	A305-E310 WeakPolarHBondContact CA-OE2 3.47Å; A305-E310 HydrophobicContact CB-CB 3.57Å; A305-E310 WeakPolarHBondContact CB-O 3.04Å; A305-S312 WeakPolarHBondContact CB-OG 3.46Å; A305-S312 PolarHBondContact N-OG 2.91Å
306	E	83.4	Confident	90.8	Very high	172 Å²	172	68.3 Å²	68.3	80%	0.804	37%	0.372	S	S	*	.	S	Bend	trans	-98	-11.8	173.2	-58.9	-165.1	163.9	0	0	111.8	N304 E310	N304-E306 PolarHBondContact O-N 2.85Å; E306-E310 PolarHBondContact N-OE2 3.34Å
307	S	82.2	Confident	90.8	Very high	42 Å²	42	68.2 Å²	68.2	29%	0.294	37%	0.374	S	S	.	.	S	Bend	trans	-131.6	149.4	-178.2	177.1	0	0	0	0	111.3	F309 E310	S307-F309 PolarHBondContact O-N 2.98Å; S307-E310 PolarHBondContact O-N 3.29Å; S307-E310 VanDerWaalsContact O-N 3.08Å
308	P	82	Confident	90.7	Very high	123 Å²	123	70.8 Å²	70.8	80%	0.799	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-9.5	177.1	27	-36.7	0	0	0	114.7
309	F	86.8	Confident	90.8	Very high	146 Å²	146	68.6 Å²	68.6	64%	0.64	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	-1.7	176	-54.2	-70.3	0	0	0	113.2	S307 G339 H340	S307-F309 PolarHBondContact O-N 2.98Å; F309-G339 CarbonylContact O-C 3.58Å; F309-G339 WeakPolarHBondContact O-CA 3.48Å; F309-H340 PolarHBondContact O-N 2.82Å
310	E	93.9	Very high	90.9	Very high	47 Å²	47	71.2 Å²	71.2	22%	0.22	39%	0.392	C	S	.	.	B	Isolated β-bridge	trans	-101.8	148.7	-177.7	-71.8	168.7	-161.2	0	0	111.5	F303 A305 E306 S307 W329 H340	F303-E310 HydrophobicContact CE1-CB 4.23Å; A305-E310 WeakPolarHBondContact CA-OE2 3.47Å; A305-E310 HydrophobicContact CB-CB 3.57Å; A305-E310 WeakPolarHBondContact CB-O 3.04Å; E306-E310 PolarHBondContact N-OE2 3.34Å; S307-E310 PolarHBondContact O-N 3.29Å; S307-E310 VanDerWaalsContact O-N 3.08Å; E310-W329 HydrophobicContact CG-CH2 4.44Å; E310-W329 HydrophobicContact CG-CZ3 4.22Å; E310-H340 VanDerWaalsContact CA-O 3.27Å; E310-H340 WeakPolarHBondContact CA-O 3.24Å
311	L	94.8	Very high	91	Very high	3 Å²	3	68.2 Å²	68.2	2%	0.016	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-100.9	119.6	-179	-175.6	66.5	0	0	0	110.8	F303 F313 I319 L334 Q337 H340 F341	F303-L311 WeakPolarHBondContact CD1-O 3.16Å; L311-F313 WeakPolarHBondContact O-CD1 3.08Å; L311-I319 HydrophobicContact CD2-CG2 3.93Å; L311-L334 HydrophobicContact CD1-CB 4.31Å; L311-L334 HydrophobicContact CD2-CB 3.94Å; L311-L334 HydrophobicContact CG-CB 4.44Å; L311-Q337 HydrophobicContact CD1-CB 3.95Å; L311-Q337 VanDerWaalsContact CD1-O 3.23Å; L311-Q337 WeakPolarHBondContact CD1-O 3.41Å; L311-H340 PolarHBondContact N-O 2.61Å; L311-F341 HydrophobicContact CB-CD1 4.17Å; L311-F341 HydrophobicContact CD2-CD1 4.07Å; L311-F341 HydrophobicContact CD2-CE1 4.08Å
312	S	92.9	Very high	91.1	Very high	55 Å²	55	66.6 Å²	66.6	39%	0.385	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-84.8	141.5	174.9	-57	0	0	0	0	112.1	F303 A305	F303-S312 CarbonylContact O-C 3.27Å; F303-S312 VanDerWaalsContact O-CA 3.26Å; F303-S312 WeakPolarHBondContact O-CA 3.46Å; A305-S312 WeakPolarHBondContact CB-OG 3.46Å; A305-S312 PolarHBondContact N-OG 2.91Å
313	F	95.4	Very high	91.3	Very high	8 Å²	8	67.2 Å²	67.2	4%	0.035	37%	0.373	C	S	.	.	B	Isolated β-bridge	trans	-156.7	164.4	177.8	53.7	-100.1	0	0	0	112.3	A299 Y301 D302 F303 L311 D317 I319 L334 F341 F345 V346	A299-F313 HydrophobicContact CB-CD2 3.39Å; A299-F313 HydrophobicContact CB-CE2 3.59Å; A299-F313 HydrophobicContact CB-CG 4.39Å; Y301-F313 WeakPolarHBondContact O-CE2 3.42Å; D302-F313 WeakPolarHBondContact CA-O 3.42Å; F303-F313 HydrophobicContact CB-CD1 4.28Å; F303-F313 HydrophobicContact CB-CD2 4.08Å; F303-F313 HydrophobicContact CB-CE1 3.82Å; F303-F313 HydrophobicContact CB-CE2 3.58Å; F303-F313 HydrophobicContact CB-CG 4.42Å; F303-F313 HydrophobicContact CB-CZ 3.45Å; F303-F313 VanDerWaalsContact CB-CZ 3.45Å; F303-F313 HydrophobicContact CD1-CD1 4.46Å; F303-F313 AromaticContact CD1-CE1 3.91Å; F303-F313 HydrophobicContact CD1-CE1 3.91Å; F303-F313 HydrophobicContact CD1-CZ 4.27Å; F303-F313 HydrophobicContact CG-CE1 4.19Å; F303-F313 HydrophobicContact CG-CZ 4.08Å; F303-F313 PolarHBondContact N-O 3.45Å; F303-F313 PolarHBondContact O-N 3.08Å; L311-F313 WeakPolarHBondContact O-CD1 3.08Å; F313-D317 HydrophobicContact CB-CB 4.28Å; F313-I319 HydrophobicContact CB-CD1 4.11Å; F313-I319 HydrophobicContact CD1-CD1 3.47Å; F313-I319 VanDerWaalsContact CD1-CD1 3.47Å; F313-I319 HydrophobicContact CD2-CD1 4.04Å; F313-I319 HydrophobicContact CE1-CD1 3.75Å; F313-I319 HydrophobicContact CE2-CD1 4.29Å; F313-I319 HydrophobicContact CG-CD1 3.61Å; F313-I319 HydrophobicContact CZ-CD1 4.15Å; F313-L334 HydrophobicContact CB-CD2 3.66Å; F313-F341 HydrophobicContact CE1-CB 3.51Å; F313-F341 HydrophobicContact CE1-CD1 4.19Å; F313-F341 HydrophobicContact CE1-CD2 4.11Å; F313-F341 AromaticContact CE1-CG 3.68Å; F313-F341 HydrophobicContact CE1-CG 3.68Å; F313-F341 HydrophobicContact CZ-CB 4.06Å; F313-F341 HydrophobicContact CZ-CD2 4.3Å; F313-F341 HydrophobicContact CZ-CG 4.27Å; F313-F345 HydrophobicContact CE2-CB 4.47Å; F313-F345 HydrophobicContact CZ-CB 4.19Å; F313-V346 HydrophobicContact CE2-CG1 4.46Å; F313-V346 HydrophobicContact CZ-CG1 4.12Å
314	C	93.1	Very high	91.4	Very high	73 Å²	73	70.2 Å²	70.2	49%	0.493	39%	0.388	S	S	.	.			trans	-104.1	154.7	176.1	-67	0	0	0	0	111.1	A299 D302 G316 D317	A299-C314 VanDerWaalsContact CB-O 3.24Å; A299-C314 WeakPolarHBondContact CB-O 3.48Å; D302-C314 WeakPolarHBondContact OD1-CA 3.43Å; C314-G316 PolarHBondContact O-N 3.03Å; C314-D317 PolarHBondContact N-OD2 2.99Å; C314-D317 VanDerWaalsContact O-CB 3.26Å; C314-D317 WeakPolarHBondContact O-CB 3.41Å; C314-D317 VanDerWaalsContact O-CG 3.28Å; C314-D317 PolarHBondContact O-N 3.34Å
315	K	90.1	Very high	91.3	Very high	145 Å²	145	67.9 Å²	67.9	63%	0.63	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	129	171.8	175.9	175.2	-177.6	176.6	0	110.8	L300 D302	L300-K315 VanDerWaalsContact O-CD 3.28Å; L300-K315 WeakPolarHBondContact O-CD 3.3Å; L300-K315 WeakPolarHBondContact O-CE 3.44Å; L300-K315 WeakPolarHBondContact O-CG 3.35Å; D302-K315 WeakPolarHBondContact OD1-CB 3.48Å; D302-K315 PolarHBondContact OD1-N 3.46Å
316	G	90.5	Very high	91.4	Very high	51 Å²	51	69.6 Å²	69.6	53%	0.526	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.3	-8.7	-178.9	0	0	0	0	0	114.5	A299 C314	A299-G316 PolarHBondContact O-N 3.27Å; C314-G316 PolarHBondContact O-N 3.03Å
317	D	92.8	Very high	91.5	Very high	53 Å²	53	67.9 Å²	67.9	28%	0.283	38%	0.375	S	S	.	.			trans	-63.3	143.2	174.5	-74.6	-16.8	0	0	0	111.2	V298 A299 F313 C314 L334	V298-D317 CarbonylContact C-O 3.54Å; V298-D317 VanDerWaalsContact CA-O 3.31Å; V298-D317 WeakPolarHBondContact CA-O 3.48Å; A299-D317 HydrophobicContact CB-CB 4.4Å; A299-D317 PolarHBondContact N-O 3.39Å; F313-D317 HydrophobicContact CB-CB 4.28Å; C314-D317 PolarHBondContact N-OD2 2.99Å; C314-D317 VanDerWaalsContact O-CB 3.26Å; C314-D317 WeakPolarHBondContact O-CB 3.41Å; C314-D317 VanDerWaalsContact O-CG 3.28Å; C314-D317 PolarHBondContact O-N 3.34Å; D317-L334 HydrophobicContact CB-CD2 4.15Å
318	S	95.4	Very high	91.9	Very high	53 Å²	53	70.9 Å²	70.9	37%	0.371	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	112.8	178.5	-163	0	0	0	0	109.4	Q296 C297 L334	Q296-S318 PolarHBondContact NE2-OG 2.72Å; Q296-S318 PolarHBondContact OE1-OG 3.26Å; C297-S318 WeakPolarHBondContact O-CA 3.43Å; S318-L334 WeakPolarHBondContact O-CD1 3.43Å
319	I	96.9	Very high	92.5	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	131.5	-170.5	-55.4	166.2	0	0	0	108.8	Q296 C297 A299 L311 F313 L321 L334 F341 V346	Q296-I319 WeakPolarHBondContact CA-O 3.37Å; Q296-I319 VanDerWaalsContact CG-O 3.25Å; Q296-I319 WeakPolarHBondContact CG-O 3.35Å; C297-I319 PolarHBondContact N-O 3.49Å; C297-I319 PolarHBondContact O-N 2.94Å; A299-I319 HydrophobicContact CB-CD1 4.5Å; L311-I319 HydrophobicContact CD2-CG2 3.93Å; F313-I319 HydrophobicContact CB-CD1 4.11Å; F313-I319 HydrophobicContact CD1-CD1 3.47Å; F313-I319 VanDerWaalsContact CD1-CD1 3.47Å; F313-I319 HydrophobicContact CD2-CD1 4.04Å; F313-I319 HydrophobicContact CE1-CD1 3.75Å; F313-I319 HydrophobicContact CE2-CD1 4.29Å; F313-I319 HydrophobicContact CG-CD1 3.61Å; F313-I319 HydrophobicContact CZ-CD1 4.15Å; I319-L321 PolarHBondContact O-N 3.08Å; I319-L334 HydrophobicContact CG1-CB 4.48Å; I319-L334 HydrophobicContact CG1-CD1 4.47Å; I319-L334 HydrophobicContact CG1-CD2 4.38Å; I319-F341 HydrophobicContact CG2-CE1 3.78Å; I319-F341 HydrophobicContact CG2-CZ 3.83Å; I319-V346 HydrophobicContact CD1-CG1 4.33Å
320	N	96	Very high	93	Very high	58 Å²	58	63.2 Å²	63.2	31%	0.31	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	125.2	174.7	-64	-24.2	0	0	0	108.8	Q296 G332 E333	Q296-N320 PolarHBondContact NE2-OD1 3.22Å; N320-G332 CarbonylContact O-C 3.54Å; N320-G332 WeakPolarHBondContact O-CA 3.44Å; N320-E333 HydrophobicContact CB-CB 4.4Å; N320-E333 PolarHBondContact N-O 3.21Å; N320-E333 PolarHBondContact O-N 3.09Å
321	L	94.7	Very high	93.1	Very high	10 Å²	10	62.3 Å²	62.3	5%	0.052	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	130	176.5	-79.5	170	0	0	0	109.5	P295 C297 I319 Y330 F341 V348 L352	P295-L321 HydrophobicContact CB-CB 3.84Å; P295-L321 PolarHBondContact O-N 3.14Å; C297-L321 HydrophobicContact CB-CD1 3.9Å; C297-L321 HydrophobicContact CB-CG 4.12Å; I319-L321 PolarHBondContact O-N 3.08Å; L321-Y330 HydrophobicContact CD2-CD1 3.84Å; L321-Y330 HydrophobicContact CD2-CD2 4.02Å; L321-Y330 HydrophobicContact CD2-CE1 4.45Å; L321-Y330 HydrophobicContact CD2-CG 3.63Å; L321-F341 HydrophobicContact CD2-CE2 4.36Å; L321-F341 HydrophobicContact CD2-CZ 3.93Å; L321-V348 HydrophobicContact CD1-CG1 3.93Å; L321-V348 HydrophobicContact CD1-CG2 4.11Å; L321-L352 HydrophobicContact CB-CD2 3.88Å; L321-L352 HydrophobicContact CB-CG 4.12Å
322	I	92.7	Very high	93.1	Very high	70 Å²	70	62.1 Å²	62.1	36%	0.359	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	-50.8	178.3	-64.6	165.9	0	0	0	110.4	L331 E333 E338 L352	I322-L331 HydrophobicContact CB-CD2 4.36Å; I322-L331 HydrophobicContact CB-CG 4.15Å; I322-L331 HydrophobicContact CD1-CG 4.38Å; I322-L331 HydrophobicContact CG2-CD2 4.01Å; I322-L331 HydrophobicContact CG2-CG 4.36Å; I322-L331 PolarHBondContact N-O 2.95Å; I322-E333 HydrophobicContact CD1-CB 3.97Å; I322-E338 HydrophobicContact CD1-CG 3.92Å; I322-L352 VanDerWaalsContact C-CD2 3.44Å; I322-L352 VanDerWaalsContact O-CD2 3.25Å; I322-L352 WeakPolarHBondContact O-CD2 3.19Å
323	E	93.3	Very high	93.2	Very high	113 Å²	113	62.7 Å²	62.7	53%	0.528	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	153.5	-174.6	-174.2	176	-178.9	0	0	111.3	Y330 L331 L352	E323-Y330 CarbonylContact O-C 3.53Å; E323-Y330 WeakPolarHBondContact O-CA 3.38Å; E323-L331 HydrophobicContact CB-CB 4.28Å; E323-L331 HydrophobicContact CB-CD2 4.49Å; E323-L331 PolarHBondContact N-O 3.34Å; E323-L331 VanDerWaalsContact N-O 3.16Å; E323-L331 PolarHBondContact O-N 3.23Å; E323-L352 VanDerWaalsContact C-CD1 3.46Å
324	Q	92.5	Very high	93.2	Very high	87 Å²	87	63.3 Å²	63.3	41%	0.407	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	117.5	165.7	-172.1	173.7	-2.8	0	0	109.2	D326 Y330 L352	Q324-D326 WeakPolarHBondContact CG-O 3.49Å; Q324-D326 PolarHBondContact NE2-O 2.65Å; Q324-Y330 HydrophobicContact CB-CD1 3.7Å; Q324-Y330 HydrophobicContact CB-CE1 3.64Å; Q324-Y330 HydrophobicContact CG-CD1 3.79Å; Q324-Y330 HydrophobicContact CG-CE1 3.57Å; Q324-L352 HydrophobicContact CB-CD1 4.04Å
325	I	89	Confident	93.1	Very high	79 Å²	79	67.4 Å²	67.4	41%	0.405	35%	0.351	S	S	.	.			trans	-77.9	-46	-176.2	-52.5	170.2	0	0	0	109.6	W329 L331 H340	I325-W329 HydrophobicContact CB-CB 4.24Å; I325-W329 HydrophobicContact CD1-CB 4.06Å; I325-W329 PolarHBondContact N-O 3.29Å; I325-L331 HydrophobicContact CD1-CB 4.43Å; I325-L331 HydrophobicContact CG1-CB 4.4Å; I325-H340 HydrophobicContact CD1-CB 4.07Å; I325-H340 WeakPolarHBondContact CD1-CE1 3.43Å; I325-H340 VanDerWaalsContact CD1-CG 3.41Å; I325-H340 WeakPolarHBondContact CD1-ND1 3.36Å
326	D	90.5	Very high	92.9	Very high	73 Å²	73	63.3 Å²	63.3	39%	0.39	35%	0.35	S	S	.	.	S	Bend	trans	-156.8	-172.4	176.7	64.6	33	0	0	0	110.8	Q324 N328 W329	Q324-D326 WeakPolarHBondContact CG-O 3.49Å; Q324-D326 PolarHBondContact NE2-O 2.65Å; D326-N328 PolarHBondContact O-N 3.17Å; D326-N328 VanDerWaalsContact O-N 3.11Å; D326-N328 WeakPolarHBondContact OD1-CA 3.45Å; D326-N328 WeakPolarHBondContact OD1-CB 3.5Å; D326-N328 PolarHBondContact OD1-N 2.99Å; D326-W329 PolarHBondContact N-O 3.09Å; D326-W329 PolarHBondContact O-N 2.98Å; D326-W329 PolarHBondContact OD1-N 2.85Å
327	D	86.1	Confident	92.9	Very high	137 Å²	137	67.3 Å²	67.3	73%	0.733	36%	0.356	S	S	*	.	S	Bend	trans	-59.6	-22.2	-179.8	-65.1	-27.2	0	0	0	113.7	T343	D327-T343 PolarHBondContact O-OG1 3.48Å
328	N	91.3	Very high	92.9	Very high	105 Å²	105	70.9 Å²	70.9	56%	0.561	37%	0.37	S	S	*	.	S	Bend	trans	-109.9	-17.6	-173.1	-58.6	-54.7	0	0	0	113.7	D326 P342 T343	D326-N328 PolarHBondContact O-N 3.17Å; D326-N328 VanDerWaalsContact O-N 3.11Å; D326-N328 WeakPolarHBondContact OD1-CA 3.45Å; D326-N328 WeakPolarHBondContact OD1-CB 3.5Å; D326-N328 PolarHBondContact OD1-N 2.99Å; N328-P342 CarbonylContact O-C 3.59Å; N328-P342 WeakPolarHBondContact O-CA 3.34Å; N328-T343 VanDerWaalsContact C-CG2 3.47Å; N328-T343 PolarHBondContact O-N 2.85Å
329	W	94.9	Very high	92.9	Very high	74 Å²	74	68.5 Å²	68.5	28%	0.28	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	132.8	-173.8	-67.8	92.2	0	0	0	114.6	F303 E310 I325 D326 H340 F341 P342	F303-W329 HydrophobicContact CZ-CH2 4.25Å; F303-W329 HydrophobicContact CZ-CZ3 4.2Å; E310-W329 HydrophobicContact CG-CH2 4.44Å; E310-W329 HydrophobicContact CG-CZ3 4.22Å; I325-W329 HydrophobicContact CB-CB 4.24Å; I325-W329 HydrophobicContact CD1-CB 4.06Å; I325-W329 PolarHBondContact N-O 3.29Å; D326-W329 PolarHBondContact N-O 3.09Å; D326-W329 PolarHBondContact O-N 2.98Å; D326-W329 PolarHBondContact OD1-N 2.85Å; W329-H340 HydrophobicContact CE3-CB 3.81Å; W329-H340 HydrophobicContact CZ3-CB 4.2Å; W329-F341 WeakPolarHBondContact CA-O 3.46Å; W329-P342 HydrophobicContact CE3-CG 4.47Å; W329-P342 HydrophobicContact CH2-CG 4.07Å; W329-P342 HydrophobicContact CZ2-CG 4.46Å; W329-P342 HydrophobicContact CZ3-CG 4.08Å
330	Y	96.6	Very high	92.9	Very high	33 Å²	33	71.5 Å²	71.5	13%	0.129	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	152.1	165	-70.9	-61.4	0	0	0	110.9	L321 E323 Q324 H340 F341 T343 V346 V348 L352	L321-Y330 HydrophobicContact CD2-CD1 3.84Å; L321-Y330 HydrophobicContact CD2-CD2 4.02Å; L321-Y330 HydrophobicContact CD2-CE1 4.45Å; L321-Y330 HydrophobicContact CD2-CG 3.63Å; E323-Y330 CarbonylContact O-C 3.53Å; E323-Y330 WeakPolarHBondContact O-CA 3.38Å; Q324-Y330 HydrophobicContact CB-CD1 3.7Å; Q324-Y330 HydrophobicContact CB-CE1 3.64Å; Q324-Y330 HydrophobicContact CG-CD1 3.79Å; Q324-Y330 HydrophobicContact CG-CE1 3.57Å; Y330-H340 CarbonylContact O-C 3.55Å; Y330-H340 WeakPolarHBondContact O-CA 3.44Å; Y330-F341 HydrophobicContact CD2-CE2 4.06Å; Y330-F341 HydrophobicContact CG-CE2 4.32Å; Y330-F341 PolarHBondContact N-O 3.48Å; Y330-F341 PolarHBondContact O-N 3.37Å; Y330-T343 HydrophobicContact CD1-CG2 4.39Å; Y330-T343 HydrophobicContact CD2-CG2 3.48Å; Y330-T343 VanDerWaalsContact CD2-CG2 3.48Å; Y330-T343 HydrophobicContact CE1-CG2 4.28Å; Y330-T343 HydrophobicContact CE2-CG2 3.34Å; Y330-T343 HydrophobicContact CG-CG2 4.01Å; Y330-V346 HydrophobicContact CD2-CG2 4.07Å; Y330-V346 HydrophobicContact CE2-CG2 4.16Å; Y330-V348 HydrophobicContact CE2-CG2 4.24Å; Y330-L352 HydrophobicContact CD1-CD1 4.3Å; Y330-L352 HydrophobicContact CE1-CD1 4.29Å
331	L	95.3	Very high	92.9	Very high	28 Å²	28	68.7 Å²	68.7	15%	0.147	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	132.4	158.9	173.9	64.7	0	0	0	108.4	I322 E323 I325 H340	I322-L331 HydrophobicContact CB-CD2 4.36Å; I322-L331 HydrophobicContact CB-CG 4.15Å; I322-L331 HydrophobicContact CD1-CG 4.38Å; I322-L331 HydrophobicContact CG2-CD2 4.01Å; I322-L331 HydrophobicContact CG2-CG 4.36Å; I322-L331 PolarHBondContact N-O 2.95Å; E323-L331 HydrophobicContact CB-CB 4.28Å; E323-L331 HydrophobicContact CB-CD2 4.49Å; E323-L331 PolarHBondContact N-O 3.34Å; E323-L331 VanDerWaalsContact N-O 3.16Å; E323-L331 PolarHBondContact O-N 3.23Å; I325-L331 HydrophobicContact CD1-CB 4.43Å; I325-L331 HydrophobicContact CG1-CB 4.4Å; L331-H340 WeakPolarHBondContact CD1-ND1 3.16Å
332	G	96	Very high	93	Very high	0 Å²	0	69 Å²	69	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	177.8	174.6	0	0	0	0	0	113	N320 E338 G339	N320-G332 CarbonylContact O-C 3.54Å; N320-G332 WeakPolarHBondContact O-CA 3.44Å; G332-E338 VanDerWaalsContact O-CA 3.31Å; G332-E338 WeakPolarHBondContact O-CA 3.41Å; G332-G339 PolarHBondContact N-O 3.3Å; G332-G339 VanDerWaalsContact N-O 3.15Å; G332-G339 PolarHBondContact O-N 3Å
333	E	95	Very high	93	Very high	67 Å²	67	67 Å²	67	31%	0.313	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	133.6	-176.4	-172.4	-164.5	-155.8	0	0	110.9	N320 I322 Q337 E338	N320-E333 HydrophobicContact CB-CB 4.4Å; N320-E333 PolarHBondContact N-O 3.21Å; N320-E333 PolarHBondContact O-N 3.09Å; I322-E333 HydrophobicContact CD1-CB 3.97Å; E333-Q337 CarbonylContact C-O 3.46Å; E333-Q337 VanDerWaalsContact CA-O 3.28Å; E333-Q337 WeakPolarHBondContact CA-O 3.21Å; E333-E338 HydrophobicContact CB-CG 4.08Å; E333-E338 HydrophobicContact CG-CG 4.07Å
334	L	95	Very high	93	Very high	21 Å²	21	66.8 Å²	66.8	11%	0.11	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	128.2	171.2	-178.4	65.9	0	0	0	109.5	L311 F313 D317 S318 I319 G336 Q337	L311-L334 HydrophobicContact CD1-CB 4.31Å; L311-L334 HydrophobicContact CD2-CB 3.94Å; L311-L334 HydrophobicContact CG-CB 4.44Å; F313-L334 HydrophobicContact CB-CD2 3.66Å; D317-L334 HydrophobicContact CB-CD2 4.15Å; S318-L334 WeakPolarHBondContact O-CD1 3.43Å; I319-L334 HydrophobicContact CG1-CB 4.48Å; I319-L334 HydrophobicContact CG1-CD1 4.47Å; I319-L334 HydrophobicContact CG1-CD2 4.38Å; L334-G336 PolarHBondContact O-N 3.11Å; L334-G336 VanDerWaalsContact O-N 3.16Å; L334-Q337 PolarHBondContact N-O 3.2Å; L334-Q337 PolarHBondContact O-N 3.4Å
335	N	90.4	Very high	93.1	Very high	158 Å²	158	65.4 Å²	65.4	85%	0.845	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	33.4	179.4	-60.7	-43.4	0	0	0	114.4	Q337	N335-Q337 VanDerWaalsContact C-N 3.3Å; N335-Q337 PolarHBondContact O-N 3.28Å
336	G	86.9	Confident	93.3	Very high	59 Å²	59	62.1 Å²	62.1	61%	0.608	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.7	9.1	-178.5	0	0	0	0	0	114.8	L334	L334-G336 PolarHBondContact O-N 3.11Å; L334-G336 VanDerWaalsContact O-N 3.16Å
337	Q	89.4	Confident	93.5	Very high	136 Å²	136	64 Å²	64	64%	0.636	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.8	129.7	170.5	-67.9	-173	-16.3	0	0	109.7	L311 E333 L334 N335	L311-Q337 HydrophobicContact CD1-CB 3.95Å; L311-Q337 VanDerWaalsContact CD1-O 3.23Å; L311-Q337 WeakPolarHBondContact CD1-O 3.41Å; E333-Q337 CarbonylContact C-O 3.46Å; E333-Q337 VanDerWaalsContact CA-O 3.28Å; E333-Q337 WeakPolarHBondContact CA-O 3.21Å; L334-Q337 PolarHBondContact N-O 3.2Å; L334-Q337 PolarHBondContact O-N 3.4Å; N335-Q337 VanDerWaalsContact C-N 3.3Å; N335-Q337 PolarHBondContact O-N 3.28Å
338	E	93.5	Very high	93.8	Very high	127 Å²	127	59.8 Å²	59.8	59%	0.593	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.3	144	173.9	-67	-178.1	168.9	0	0	110.5	I322 G332 E333	I322-E338 HydrophobicContact CD1-CG 3.92Å; G332-E338 VanDerWaalsContact O-CA 3.31Å; G332-E338 WeakPolarHBondContact O-CA 3.41Å; E333-E338 HydrophobicContact CB-CG 4.08Å; E333-E338 HydrophobicContact CG-CG 4.07Å
339	G	96.2	Very high	93.8	Very high	3 Å²	3	57.8 Å²	57.8	3%	0.031	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.2	172.4	173.5	0	0	0	0	0	113.3	F309 G332	F309-G339 CarbonylContact O-C 3.58Å; F309-G339 WeakPolarHBondContact O-CA 3.48Å; G332-G339 PolarHBondContact N-O 3.3Å; G332-G339 VanDerWaalsContact N-O 3.15Å; G332-G339 PolarHBondContact O-N 3Å
340	H	96.1	Very high	93.6	Very high	63 Å²	63	55 Å²	55	29%	0.292	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	145.4	-177.1	-53.7	-30.4	0	0	0	111.8	F309 E310 L311 I325 W329 Y330 L331	F309-H340 PolarHBondContact O-N 2.82Å; E310-H340 VanDerWaalsContact CA-O 3.27Å; E310-H340 WeakPolarHBondContact CA-O 3.24Å; L311-H340 PolarHBondContact N-O 2.61Å; I325-H340 HydrophobicContact CD1-CB 4.07Å; I325-H340 WeakPolarHBondContact CD1-CE1 3.43Å; I325-H340 VanDerWaalsContact CD1-CG 3.41Å; I325-H340 WeakPolarHBondContact CD1-ND1 3.36Å; W329-H340 HydrophobicContact CE3-CB 3.81Å; W329-H340 HydrophobicContact CZ3-CB 4.2Å; Y330-H340 CarbonylContact O-C 3.55Å; Y330-H340 WeakPolarHBondContact O-CA 3.44Å; L331-H340 WeakPolarHBondContact CD1-ND1 3.16Å
341	F	96.2	Very high	93.2	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	157.3	173.4	55	-91.6	0	0	0	112.7	F303 L311 F313 I319 L321 W329 Y330 V346	F303-F341 HydrophobicContact CD1-CB 4.19Å; F303-F341 HydrophobicContact CE1-CB 4.15Å; L311-F341 HydrophobicContact CB-CD1 4.17Å; L311-F341 HydrophobicContact CD2-CD1 4.07Å; L311-F341 HydrophobicContact CD2-CE1 4.08Å; F313-F341 HydrophobicContact CE1-CB 3.51Å; F313-F341 HydrophobicContact CE1-CD1 4.19Å; F313-F341 HydrophobicContact CE1-CD2 4.11Å; F313-F341 AromaticContact CE1-CG 3.68Å; F313-F341 HydrophobicContact CE1-CG 3.68Å; F313-F341 HydrophobicContact CZ-CB 4.06Å; F313-F341 HydrophobicContact CZ-CD2 4.3Å; F313-F341 HydrophobicContact CZ-CG 4.27Å; I319-F341 HydrophobicContact CG2-CE1 3.78Å; I319-F341 HydrophobicContact CG2-CZ 3.83Å; L321-F341 HydrophobicContact CD2-CE2 4.36Å; L321-F341 HydrophobicContact CD2-CZ 3.93Å; W329-F341 WeakPolarHBondContact CA-O 3.46Å; Y330-F341 HydrophobicContact CD2-CE2 4.06Å; Y330-F341 HydrophobicContact CG-CE2 4.32Å; Y330-F341 PolarHBondContact N-O 3.48Å; Y330-F341 PolarHBondContact O-N 3.37Å; F341-V346 HydrophobicContact CD2-CG1 3.87Å; F341-V346 HydrophobicContact CD2-CG2 4.5Å; F341-V346 HydrophobicContact CE2-CB 4.46Å; F341-V346 HydrophobicContact CE2-CG1 3.69Å; F341-V346 HydrophobicContact CE2-CG2 3.98Å
342	P	95.8	Very high	92.6	Very high	15 Å²	15	59 Å²	59	10%	0.097	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	139.8	-175.7	-21.6	34.3	0	0	0	113.7	F303 N328 W329 N344 F345	F303-P342 HydrophobicContact CD2-CG 4.21Å; F303-P342 VanDerWaalsContact CE2-CD 3.47Å; F303-P342 HydrophobicContact CE2-CG 3.7Å; F303-P342 HydrophobicContact CZ-CG 4.19Å; N328-P342 CarbonylContact O-C 3.59Å; N328-P342 WeakPolarHBondContact O-CA 3.34Å; W329-P342 HydrophobicContact CE3-CG 4.47Å; W329-P342 HydrophobicContact CH2-CG 4.07Å; W329-P342 HydrophobicContact CZ2-CG 4.46Å; W329-P342 HydrophobicContact CZ3-CG 4.08Å; P342-N344 VanDerWaalsContact C-N 3.27Å; P342-N344 WeakPolarHBondContact CB-OD1 3.1Å; P342-N344 PolarHBondContact O-N 3.17Å; P342-F345 HydrophobicContact CB-CD2 3.78Å; P342-F345 HydrophobicContact CB-CE2 4.39Å; P342-F345 HydrophobicContact CB-CG 4.41Å; P342-F345 HydrophobicContact CG-CD2 4.08Å; P342-F345 HydrophobicContact CG-CE2 4.4Å; P342-F345 PolarHBondContact O-N 3.35Å; P342-F345 VanDerWaalsContact O-N 3.15Å
343	T	93.2	Very high	91.7	Very high	29 Å²	29	67.7 Å²	67.7	18%	0.178	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-61.7	-33.5	-179.7	57.5	0	0	0	0	112.8	D327 N328 Y330 F345	D327-T343 PolarHBondContact O-OG1 3.48Å; N328-T343 VanDerWaalsContact C-CG2 3.47Å; N328-T343 PolarHBondContact O-N 2.85Å; Y330-T343 HydrophobicContact CD1-CG2 4.39Å; Y330-T343 HydrophobicContact CD2-CG2 3.48Å; Y330-T343 VanDerWaalsContact CD2-CG2 3.48Å; Y330-T343 HydrophobicContact CE1-CG2 4.28Å; Y330-T343 HydrophobicContact CE2-CG2 3.34Å; Y330-T343 HydrophobicContact CG-CG2 4.01Å; T343-F345 VanDerWaalsContact C-N 3.27Å; T343-F345 PolarHBondContact O-N 2.91Å
344	N	93.6	Very high	91.6	Very high	109 Å²	109	67.7 Å²	67.7	58%	0.583	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-77	-6.2	179.7	63.9	-30.1	0	0	0	114.5	P342	P342-N344 VanDerWaalsContact C-N 3.27Å; P342-N344 WeakPolarHBondContact CB-OD1 3.1Å; P342-N344 PolarHBondContact O-N 3.17Å
345	F	94.7	Very high	91.4	Very high	57 Å²	57	70.2 Å²	70.2	25%	0.25	40%	0.397	C	S	.	.	G	3₁₀ helix	trans	-89.7	-7.1	178	-86.6	-119.1	0	0	0	113.4	L300 D302 F303 F313 P342 T343	L300-F345 WeakPolarHBondContact CB-O 3.49Å; L300-F345 PolarHBondContact N-O 3.38Å; D302-F345 WeakPolarHBondContact O-CE1 3.32Å; F303-F345 HydrophobicContact CB-CD1 3.91Å; F303-F345 HydrophobicContact CB-CE1 4.3Å; F303-F345 HydrophobicContact CD2-CD1 4.01Å; F303-F345 AromaticContact CD2-CE1 3.94Å; F303-F345 HydrophobicContact CD2-CE1 3.94Å; F303-F345 HydrophobicContact CD2-CZ 4.44Å; F303-F345 HydrophobicContact CG-CD1 4.35Å; F313-F345 HydrophobicContact CE2-CB 4.47Å; F313-F345 HydrophobicContact CZ-CB 4.19Å; P342-F345 HydrophobicContact CB-CD2 3.78Å; P342-F345 HydrophobicContact CB-CE2 4.39Å; P342-F345 HydrophobicContact CB-CG 4.41Å; P342-F345 HydrophobicContact CG-CD2 4.08Å; P342-F345 HydrophobicContact CG-CE2 4.4Å; P342-F345 PolarHBondContact O-N 3.35Å; P342-F345 VanDerWaalsContact O-N 3.15Å; T343-F345 VanDerWaalsContact C-N 3.27Å; T343-F345 PolarHBondContact O-N 2.91Å
346	V	93	Very high	91.4	Very high	11 Å²	11	65.3 Å²	65.3	7%	0.067	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	155.3	-173.4	-59.2	0	0	0	0	111.8	C297 V298 F313 I319 Y330 F341	C297-V346 HydrophobicContact CB-CB 3.95Å; C297-V346 HydrophobicContact CB-CG2 4.03Å; V298-V346 CarbonylContact O-C 3.59Å; V298-V346 WeakPolarHBondContact O-CA 3.48Å; F313-V346 HydrophobicContact CE2-CG1 4.46Å; F313-V346 HydrophobicContact CZ-CG1 4.12Å; I319-V346 HydrophobicContact CD1-CG1 4.33Å; Y330-V346 HydrophobicContact CD2-CG2 4.07Å; Y330-V346 HydrophobicContact CE2-CG2 4.16Å; F341-V346 HydrophobicContact CD2-CG1 3.87Å; F341-V346 HydrophobicContact CD2-CG2 4.5Å; F341-V346 HydrophobicContact CE2-CB 4.46Å; F341-V346 HydrophobicContact CE2-CG1 3.69Å; F341-V346 HydrophobicContact CE2-CG2 3.98Å
347	H	93.7	Very high	91.7	Very high	113 Å²	113	65.6 Å²	65.6	52%	0.523	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	116.7	166.9	-178.8	67.7	0	0	0	109.1	C297 V298 L300 T349	C297-H347 CarbonylContact C-O 3.46Å; C297-H347 VanDerWaalsContact CA-O 3.25Å; C297-H347 WeakPolarHBondContact CA-O 3.23Å; C297-H347 WeakPolarHBondContact CB-O 3.32Å; V298-H347 PolarHBondContact N-O 3.46Å; V298-H347 PolarHBondContact O-N 3.19Å; L300-H347 HydrophobicContact CD1-CB 4.19Å; L300-H347 HydrophobicContact CD2-CB 3.89Å; L300-H347 HydrophobicContact CG-CB 4.07Å; H347-T349 PolarHBondContact O-N 3.4Å
348	V	92.7	Very high	91.8	Very high	48 Å²	48	61.3 Å²	61.3	29%	0.291	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	115.4	179.5	-178.8	0	0	0	0	109.4	C297 L321 Y330 P351	C297-V348 HydrophobicContact CB-CG2 4.41Å; L321-V348 HydrophobicContact CD1-CG1 3.93Å; L321-V348 HydrophobicContact CD1-CG2 4.11Å; Y330-V348 HydrophobicContact CE2-CG2 4.24Å; V348-P351 HydrophobicContact CG1-CB 4.16Å
349	T	92.2	Very high	91.7	Very high	62 Å²	62	56.9 Å²	56.9	38%	0.38	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	-31.8	178.3	53.6	0	0	0	0	111.6	Q296 V298 H347	Q296-T349 PolarHBondContact O-N 3.17Å; Q296-T349 PolarHBondContact O-OG1 2.59Å; Q296-T349 VanDerWaalsContact O-OG1 3.08Å; V298-T349 HydrophobicContact CB-CG2 4.48Å; V298-T349 HydrophobicContact CG2-CG2 3.75Å; H347-T349 PolarHBondContact O-N 3.4Å
350	C	89.3	Confident	91.4	Very high	15 Å²	15	60.7 Å²	60.7	10%	0.101	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	114.2	170.5	-67.3	0	0	0	0	108.5	R293 T294 P295 Q296	R293-C350 HydrophobicContact CB-CB 4.4Å; R293-C350 VanDerWaalsContact CD-SG 3.57Å; T294-C350 WeakPolarHBondContact O-CB 3.39Å; P295-C350 CarbonylContact C-O 3.6Å; P295-C350 WeakPolarHBondContact CA-O 3.49Å; Q296-C350 HydrophobicContact CB-CB 4.38Å; Q296-C350 PolarHBondContact N-O 2.88Å; Q296-C350 PolarHBondContact O-N 3.26Å; Q296-C350 VanDerWaalsContact O-O 3.07Å
351	P	88.3	Confident	91.1	Very high	99 Å²	99	60.5 Å²	60.5	64%	0.643	35%	0.349	S	S	*	.			trans	-68.3	161	-177.4	28.8	-34.2	0	0	0	112.3	V348	V348-P351 HydrophobicContact CG1-CB 4.16Å
352	L	83.5	Confident	90.6	Very high	46 Å²	46	65.6 Å²	65.6	24%	0.241	38%	0.379	C	S	.	.			trans	-62.2	144.1	168	-70.3	164.2	0	0	0	110.1	P295 L321 I322 E323 Q324 Y330	P295-L352 HydrophobicContact CB-CD2 3.78Å; P295-L352 HydrophobicContact CB-CG 4.31Å; P295-L352 HydrophobicContact CG-CD2 4.12Å; L321-L352 HydrophobicContact CB-CD2 3.88Å; L321-L352 HydrophobicContact CB-CG 4.12Å; I322-L352 VanDerWaalsContact C-CD2 3.44Å; I322-L352 VanDerWaalsContact O-CD2 3.25Å; I322-L352 WeakPolarHBondContact O-CD2 3.19Å; E323-L352 VanDerWaalsContact C-CD1 3.46Å; Q324-L352 HydrophobicContact CB-CD1 4.04Å; Y330-L352 HydrophobicContact CD1-CD1 4.3Å; Y330-L352 HydrophobicContact CE1-CD1 4.29Å
353	P	77.6	Confident	90.1	Very high	183 Å²	183	70.2 Å²	70.2	100%	1.188	40%	0.404	S	S	*	.			trans	-68	0	-174.6	27.8	-35	0	0	0	114.7

Retrieved 353 of 353 residues in 212.3 ms (Link to these results)

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