A0A077YXE5_TRITR Loading...

Angiotensin-converting enzyme

AlphaFold DB , UniProt , Accession A0A077YXE5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 571 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	31.1	Very low	29	Very low	239 Å²	239	165.5 Å²	165.5	100%	1.177	83%	0.834	S	S	*	*				0	109.5	0	-101.1	164.3	64.4	0	0	108.7
2	Q	30	Very low	28.9	Very low	190 Å²	190	159.3 Å²	159.3	89%	0.888	82%	0.818	S	S	*	*			trans	25.1	114	160.2	-75.8	168.5	-34.1	0	0	121.6
3	F	25.7	Very low	29.2	Very low	196 Å²	196	156.8 Å²	156.8	86%	0.86	81%	0.806	S	S	*	*			trans	-48.4	137	138.1	-78.1	-103.7	0	0	0	112
4	T	29	Very low	29.3	Very low	126 Å²	126	157.2 Å²	157.2	77%	0.773	81%	0.809	S	S	*	*				157.9	140	114.2	45.9	0	0	0	0	112.1
5	L	31.3	Very low	29.9	Very low	163 Å²	163	156.9 Å²	156.9	85%	0.853	80%	0.8	S	S	*	*			trans	144.4	128.6	141.4	-94.5	108.3	0	0	0	109.2
6	T	30.7	Very low	30.1	Very low	111 Å²	111	154.1 Å²	154.1	68%	0.681	80%	0.795	S	S	*	*			cis	-167.7	130	-8.2	-66	0	0	0	0	105.9
7	K	25.5	Very low	30.6	Very low	191 Å²	191	151.8 Å²	151.8	83%	0.83	80%	0.796	S	S	*	*			trans	-65.7	128.5	157.1	-76.6	174.4	169.1	178	0	108.6
8	F	26.5	Very low	31.6	Very low	184 Å²	184	149.1 Å²	149.1	81%	0.807	79%	0.792	S	S	*	*			trans	166.5	97.1	143.4	-100.2	-73.5	0	0	0	110.2
9	V	30.3	Very low	32.6	Very low	125 Å²	125	146.8 Å²	146.8	76%	0.758	79%	0.789	S	S	*	*			trans	-150.6	81.9	132.8	-177.1	0	0	0	0	106.5	L11	V9-L11 HydrophobicContact CG1-CB 4Å; V9-L11 HydrophobicContact CG1-CD1 3.83Å; V9-L11 PolarHBondContact O-N 3.48Å
10	L	26.5	Very low	34.1	Very low	160 Å²	160	145 Å²	145	84%	0.838	77%	0.774	S	S	*	*			trans	-74.1	101.5	149	-106.9	105	0	0	0	105.3
11	L	31.8	Very low	36	Very low	135 Å²	135	141.8 Å²	141.8	71%	0.707	76%	0.756	S	S	*	*			trans	-111.7	92.2	157.6	-118.9	127.2	0	0	0	106.4	V9 L13	V9-L11 HydrophobicContact CG1-CB 4Å; V9-L11 HydrophobicContact CG1-CD1 3.83Å; V9-L11 PolarHBondContact O-N 3.48Å; L11-L13 VanDerWaalsContact C-N 3.28Å; L11-L13 PolarHBondContact O-N 2.95Å
12	S	28.1	Very low	38.3	Very low	92 Å²	92	133.1 Å²	133.1	64%	0.643	71%	0.713	S	S	*	*			trans	-50	90.8	158.6	47.1	0	0	0	0	109.9	L14	S12-L14 PolarHBondContact O-N 3.43Å
13	L	33	Very low	40.6	Very low	127 Å²	127	126.2 Å²	126.2	67%	0.665	69%	0.689	S	S	*	*			trans	-82.1	85.8	148.5	-74.3	166.6	0	0	0	106.1	L11 F15	L11-L13 VanDerWaalsContact C-N 3.28Å; L11-L13 PolarHBondContact O-N 2.95Å; L13-F15 HydrophobicContact CB-CD2 3.79Å; L13-F15 HydrophobicContact CB-CE2 3.64Å; L13-F15 HydrophobicContact CD1-CE2 3.9Å; L13-F15 HydrophobicContact CD1-CZ 4.4Å; L13-F15 HydrophobicContact CD2-CE2 4.49Å; L13-F15 HydrophobicContact CG-CE2 4.22Å; L13-F15 PolarHBondContact O-N 2.94Å
14	L	30.7	Very low	43.4	Very low	162 Å²	162	122.6 Å²	122.6	85%	0.848	67%	0.674	S	S	*	*			trans	-63.4	79.6	154.3	-73.9	162.4	0	0	0	106.4	S12	S12-L14 PolarHBondContact O-N 3.43Å
15	F	37.6	Very low	46.4	Very low	153 Å²	153	119.3 Å²	119.3	67%	0.671	65%	0.652	S	S	*	*			trans	-59.4	143.3	152.3	-76.3	-80.2	0	0	0	106.7	L13 S17	L13-F15 HydrophobicContact CB-CD2 3.79Å; L13-F15 HydrophobicContact CB-CE2 3.64Å; L13-F15 HydrophobicContact CD1-CE2 3.9Å; L13-F15 HydrophobicContact CD1-CZ 4.4Å; L13-F15 HydrophobicContact CD2-CE2 4.49Å; L13-F15 HydrophobicContact CG-CE2 4.22Å; L13-F15 PolarHBondContact O-N 2.94Å; F15-S17 PolarHBondContact O-N 3.14Å
16	P	33.6	Very low	49.4	Very low	111 Å²	111	111.6 Å²	111.6	72%	0.721	61%	0.612	S	S	*	*			trans	-51.1	126.8	177.1	23.4	-31.6	0	0	0	106.9	S18	P16-S18 PolarHBondContact O-N 3.12Å
17	S	38.3	Very low	52.5	Low	116 Å²	116	112.3 Å²	112.3	81%	0.811	61%	0.605	S	S	*	*			trans	-63.8	75.1	167.2	54	0	0	0	0	107.5	F15 S19	F15-S17 PolarHBondContact O-N 3.14Å; S17-S19 VanDerWaalsContact C-N 3.25Å; S17-S19 PolarHBondContact O-N 2.92Å
18	S	48.3	Very low	55.8	Low	103 Å²	103	106.6 Å²	106.6	72%	0.72	59%	0.587	S	S	*	*			trans	-53.6	108.8	141.1	54.2	0	0	0	0	103.6	P16 F20	P16-S18 PolarHBondContact O-N 3.12Å; S18-F20 VanDerWaalsContact C-N 3.33Å; S18-F20 PolarHBondContact O-N 3.03Å
19	S	50.5	Low	59.2	Low	105 Å²	105	98 Å²	98	73%	0.734	55%	0.549	S	S	*	.			trans	-51.1	102.9	176.5	49	0	0	0	0	107.1	S17 N21	S17-S19 VanDerWaalsContact C-N 3.25Å; S17-S19 PolarHBondContact O-N 2.92Å; S19-N21 VanDerWaalsContact C-N 3.28Å; S19-N21 PolarHBondContact O-N 3.44Å
20	F	63.5	Low	62.3	Low	111 Å²	111	92.3 Å²	92.3	49%	0.487	51%	0.514	S	S	.	.			trans	-61.7	99.1	174	176.9	-103.5	0	0	0	106	S18 E22 D25 Y82	S18-F20 VanDerWaalsContact C-N 3.33Å; S18-F20 PolarHBondContact O-N 3.03Å; F20-E22 HydrophobicContact CD1-CB 4.11Å; F20-E22 HydrophobicContact CE1-CB 3.56Å; F20-E22 HydrophobicContact CE1-CG 3.81Å; F20-E22 HydrophobicContact CZ-CB 4.16Å; F20-E22 HydrophobicContact CZ-CG 4.13Å; F20-E22 PolarHBondContact O-N 3.06Å; F20-D25 VanDerWaalsContact CD2-OD2 3.23Å; F20-D25 WeakPolarHBondContact CD2-OD2 3.31Å; F20-D25 HydrophobicContact CE2-CB 4.32Å; F20-Y82 AromaticContact CE2-CD1 3.99Å; F20-Y82 HydrophobicContact CE2-CD1 3.99Å; F20-Y82 HydrophobicContact CE2-CE1 4.02Å; F20-Y82 AromaticContact CZ-CD1 3.87Å; F20-Y82 HydrophobicContact CZ-CD1 3.87Å; F20-Y82 HydrophobicContact CZ-CE1 4.34Å
21	N	74.5	Confident	65.6	Low	77 Å²	77	90.7 Å²	90.7	41%	0.412	50%	0.5	S	S	.	.			trans	-91.9	85.9	173.4	-177	2.3	0	0	0	105	S19 A23 E24 D25	S19-N21 VanDerWaalsContact C-N 3.28Å; S19-N21 PolarHBondContact O-N 3.44Å; N21-A23 PolarHBondContact O-N 2.79Å; N21-E24 HydrophobicContact CB-CB 4.07Å; N21-E24 WeakPolarHBondContact ND2-CB 3.08Å; N21-E24 PolarHBondContact ND2-OE2 3.24Å; N21-E24 PolarHBondContact O-N 3.24Å; N21-D25 PolarHBondContact N-OD2 3.1Å; N21-D25 PolarHBondContact O-N 3.23Å
22	E	78.2	Confident	68.7	Low	58 Å²	58	87.2 Å²	87.2	27%	0.271	48%	0.482	S	S	.	.	H	α-helix	trans	-42.4	-48.4	-171.8	-174.4	-171	138.4	0	0	112.2	F20 E24 V26 P85 T86	F20-E22 HydrophobicContact CD1-CB 4.11Å; F20-E22 HydrophobicContact CE1-CB 3.56Å; F20-E22 HydrophobicContact CE1-CG 3.81Å; F20-E22 HydrophobicContact CZ-CB 4.16Å; F20-E22 HydrophobicContact CZ-CG 4.13Å; F20-E22 PolarHBondContact O-N 3.06Å; E22-E24 PolarHBondContact O-N 2.82Å; E22-V26 HydrophobicContact CG-CG2 4.45Å; E22-V26 WeakPolarHBondContact O-CB 3.24Å; E22-V26 WeakPolarHBondContact O-CG2 3.37Å; E22-V26 PolarHBondContact O-N 3.19Å; E22-P85 WeakPolarHBondContact OE1-CA 3.05Å; E22-T86 PolarHBondContact OE1-N 2.99Å; E22-T86 VanDerWaalsContact OE1-N 3.14Å
23	A	78.1	Confident	71.9	Confident	45 Å²	45	82.8 Å²	82.8	37%	0.372	45%	0.452	S	S	.	.	H	α-helix	trans	-65.5	-39.8	-177.8	0	0	0	0	0	113.4	N21 K27	N21-A23 PolarHBondContact O-N 2.79Å; A23-K27 WeakPolarHBondContact O-CB 3.42Å; A23-K27 VanDerWaalsContact O-CG 3.28Å; A23-K27 WeakPolarHBondContact O-CG 3.29Å; A23-K27 PolarHBondContact O-N 3.34Å
24	E	85.8	Confident	74.9	Confident	119 Å²	119	78.2 Å²	78.2	56%	0.556	43%	0.428	S	S	*	.	H	α-helix	trans	-76.5	-38.8	-179.3	-169.9	171.5	-171.2	0	0	111.5	N21 E22 K27 T28	N21-E24 HydrophobicContact CB-CB 4.07Å; N21-E24 WeakPolarHBondContact ND2-CB 3.08Å; N21-E24 PolarHBondContact ND2-OE2 3.24Å; N21-E24 PolarHBondContact O-N 3.24Å; E22-E24 PolarHBondContact O-N 2.82Å; E24-K27 PolarHBondContact O-N 3.41Å; E24-T28 WeakPolarHBondContact O-CB 3.42Å; E24-T28 PolarHBondContact O-N 2.99Å; E24-T28 PolarHBondContact O-OG1 2.69Å
25	D	92	Very high	77.9	Confident	58 Å²	58	75.3 Å²	75.3	31%	0.31	41%	0.41	S	S	.	.	H	α-helix	trans	-68.9	-36.8	178.4	-70.2	-32.6	0	0	0	112	F20 N21 F29 Y82	F20-D25 VanDerWaalsContact CD2-OD2 3.23Å; F20-D25 WeakPolarHBondContact CD2-OD2 3.31Å; F20-D25 HydrophobicContact CE2-CB 4.32Å; N21-D25 PolarHBondContact N-OD2 3.1Å; N21-D25 PolarHBondContact O-N 3.23Å; D25-F29 WeakPolarHBondContact O-CB 3.29Å; D25-F29 PolarHBondContact O-N 2.73Å; D25-F29 VanDerWaalsContact O-N 3.08Å; D25-Y82 HydrophobicContact CB-CE1 3.91Å; D25-Y82 PolarHBondContact O-OH 3.39Å; D25-Y82 VanDerWaalsContact O-OH 3.05Å
26	V	94.9	Very high	80.6	Confident	1 Å²	1	71.7 Å²	71.7	1%	0.006	40%	0.395	C	S	.	.	H	α-helix	trans	-68	-47.8	175.2	171.9	0	0	0	0	110.6	E22 T28 F29 L30 Y82 P85 D90 I94	E22-V26 HydrophobicContact CG-CG2 4.45Å; E22-V26 WeakPolarHBondContact O-CB 3.24Å; E22-V26 WeakPolarHBondContact O-CG2 3.37Å; E22-V26 PolarHBondContact O-N 3.19Å; V26-T28 VanDerWaalsContact C-N 3.3Å; V26-T28 PolarHBondContact O-N 3.22Å; V26-F29 WeakPolarHBondContact O-CB 3.31Å; V26-F29 PolarHBondContact O-N 2.86Å; V26-F29 VanDerWaalsContact O-N 3.14Å; V26-L30 HydrophobicContact CG1-CD1 3.93Å; V26-L30 HydrophobicContact CG1-CG 4.22Å; V26-L30 WeakPolarHBondContact O-CG 3.31Å; V26-L30 PolarHBondContact O-N 3.11Å; V26-Y82 HydrophobicContact CG2-CD1 3.35Å; V26-Y82 HydrophobicContact CG2-CD2 4.33Å; V26-Y82 HydrophobicContact CG2-CE1 3.82Å; V26-Y82 HydrophobicContact CG2-CG 3.64Å; V26-P85 HydrophobicContact CG1-CG 4.36Å; V26-P85 HydrophobicContact CG2-CG 4.3Å; V26-D90 HydrophobicContact CG1-CB 3.81Å; V26-I94 HydrophobicContact CG1-CD1 4.49Å; V26-I94 HydrophobicContact CG1-CG1 4.35Å
27	K	94.2	Very high	83.5	Confident	126 Å²	126	66.4 Å²	66.4	55%	0.548	36%	0.361	S	S	.	.	H	α-helix	trans	-60.3	-40.8	178.1	-75.2	177.2	-179.3	-178.6	0	112.4	A23 E24 L30 K31	A23-K27 WeakPolarHBondContact O-CB 3.42Å; A23-K27 VanDerWaalsContact O-CG 3.28Å; A23-K27 WeakPolarHBondContact O-CG 3.29Å; A23-K27 PolarHBondContact O-N 3.34Å; E24-K27 PolarHBondContact O-N 3.41Å; K27-L30 PolarHBondContact O-N 3.29Å; K27-K31 WeakPolarHBondContact O-CB 3.03Å; K27-K31 PolarHBondContact O-N 3.01Å
28	T	95.7	Very high	86.1	Confident	71 Å²	71	63.7 Å²	63.7	44%	0.436	34%	0.335	S	S	.	.	H	α-helix	trans	-62.2	-44.3	175.3	-58.7	0	0	0	0	111.3	E24 V26 K31 N32	E24-T28 WeakPolarHBondContact O-CB 3.42Å; E24-T28 PolarHBondContact O-N 2.99Å; E24-T28 PolarHBondContact O-OG1 2.69Å; V26-T28 VanDerWaalsContact C-N 3.3Å; V26-T28 PolarHBondContact O-N 3.22Å; T28-K31 PolarHBondContact O-N 2.89Å; T28-N32 VanDerWaalsContact O-CG 3.24Å; T28-N32 PolarHBondContact O-N 3.29Å; T28-N32 PolarHBondContact O-ND2 3.32Å
29	F	96.9	Very high	88.2	Confident	4 Å²	4	64.2 Å²	64.2	2%	0.018	33%	0.33	C	S	.	.	H	α-helix	trans	-61.1	-47.2	175.3	168	-95.3	0	0	0	112.6	D25 V26 K31 N32 F33 K75 E78 Y82 I94 I97	D25-F29 WeakPolarHBondContact O-CB 3.29Å; D25-F29 PolarHBondContact O-N 2.73Å; D25-F29 VanDerWaalsContact O-N 3.08Å; V26-F29 WeakPolarHBondContact O-CB 3.31Å; V26-F29 PolarHBondContact O-N 2.86Å; V26-F29 VanDerWaalsContact O-N 3.14Å; F29-K31 VanDerWaalsContact C-N 3.33Å; F29-K31 PolarHBondContact O-N 3.25Å; F29-N32 PolarHBondContact O-N 3.19Å; F29-F33 HydrophobicContact CZ-CD2 4.48Å; F29-F33 WeakPolarHBondContact O-CB 3.31Å; F29-F33 PolarHBondContact O-N 3.1Å; F29-K75 HydrophobicContact CE2-CD 4.23Å; F29-K75 HydrophobicContact CZ-CB 4.45Å; F29-K75 WeakPolarHBondContact CZ-O 3.41Å; F29-E78 HydrophobicContact CD2-CG 3.88Å; F29-E78 HydrophobicContact CE2-CB 4.02Å; F29-E78 HydrophobicContact CE2-CG 3.87Å; F29-Y82 HydrophobicContact CB-CE2 3.82Å; F29-Y82 VanDerWaalsContact CB-OH 3.3Å; F29-Y82 WeakPolarHBondContact CB-OH 3.39Å; F29-Y82 AromaticContact CD1-CE2 3.99Å; F29-Y82 HydrophobicContact CD1-CE2 3.99Å; F29-Y82 HydrophobicContact CD2-CE2 4.1Å; F29-Y82 AromaticContact CG-CE2 3.69Å; F29-Y82 HydrophobicContact CG-CE2 3.69Å; F29-I94 HydrophobicContact CD1-CD1 3.64Å; F29-I94 HydrophobicContact CE1-CD1 3.52Å; F29-I97 HydrophobicContact CE1-CD1 3.78Å; F29-I97 HydrophobicContact CZ-CD1 4.41Å
30	L	96.5	Very high	90.3	Very high	4 Å²	4	62.4 Å²	62.4	2%	0.021	31%	0.309	C	S	.	.	H	α-helix	trans	-62.8	-40.8	-179.4	-69.6	178.7	0	0	0	111.7	V26 K27 F33 D34 D90 A93 I94 I97 Y384	V26-L30 HydrophobicContact CG1-CD1 3.93Å; V26-L30 HydrophobicContact CG1-CG 4.22Å; V26-L30 WeakPolarHBondContact O-CG 3.31Å; V26-L30 PolarHBondContact O-N 3.11Å; K27-L30 PolarHBondContact O-N 3.29Å; L30-F33 PolarHBondContact O-N 3.29Å; L30-D34 PolarHBondContact O-N 3Å; L30-D90 HydrophobicContact CD1-CB 4.34Å; L30-D90 WeakPolarHBondContact CD1-OD1 3.42Å; L30-A93 HydrophobicContact CD1-CB 3.79Å; L30-A93 HydrophobicContact CD2-CB 3.68Å; L30-A93 HydrophobicContact CG-CB 4.4Å; L30-I94 HydrophobicContact CD2-CD1 3.91Å; L30-I94 HydrophobicContact CD2-CG1 4.4Å; L30-I97 HydrophobicContact CD2-CD1 3.61Å; L30-Y384 HydrophobicContact CB-CE1 4.12Å; L30-Y384 HydrophobicContact CD2-CD1 4.45Å; L30-Y384 HydrophobicContact CD2-CE1 4.12Å
31	K	96.1	Very high	91.8	Very high	126 Å²	126	59 Å²	59	55%	0.548	29%	0.294	S	S	.	.	H	α-helix	trans	-61.1	-49.6	174.5	-176.7	-179.1	172.7	-177.3	0	111.6	K27 T28 F29 F33 D34 E35	K27-K31 WeakPolarHBondContact O-CB 3.03Å; K27-K31 PolarHBondContact O-N 3.01Å; T28-K31 PolarHBondContact O-N 2.89Å; F29-K31 VanDerWaalsContact C-N 3.33Å; F29-K31 PolarHBondContact O-N 3.25Å; K31-F33 VanDerWaalsContact C-N 3.31Å; K31-F33 PolarHBondContact O-N 2.86Å; K31-D34 PolarHBondContact O-N 3.3Å; K31-E35 WeakPolarHBondContact CE-OE1 3.48Å; K31-E35 IonicContact NZ-OE1 2.67Å; K31-E35 PolarHBondContact O-N 3.44Å
32	N	96.2	Very high	92.7	Very high	62 Å²	62	58.8 Å²	58.8	33%	0.332	29%	0.289	S	S	.	.	H	α-helix	trans	-64	-37.4	179.1	-67.6	-13.7	0	0	0	112	T28 F29 D34 E36	T28-N32 VanDerWaalsContact O-CG 3.24Å; T28-N32 PolarHBondContact O-N 3.29Å; T28-N32 PolarHBondContact O-ND2 3.32Å; F29-N32 PolarHBondContact O-N 3.19Å; N32-D34 VanDerWaalsContact C-N 3.33Å; N32-E36 WeakPolarHBondContact O-CB 2.85Å; N32-E36 WeakPolarHBondContact O-CG 3.32Å; N32-E36 PolarHBondContact O-N 2.88Å
33	F	96.5	Very high	93.5	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-61	-44	174.6	-177.7	-80.9	0	0	0	111.2	F29 L30 K31 G37 F41 W71 M72 K75 I97 V383 Y384	F29-F33 HydrophobicContact CZ-CD2 4.48Å; F29-F33 WeakPolarHBondContact O-CB 3.31Å; F29-F33 PolarHBondContact O-N 3.1Å; L30-F33 PolarHBondContact O-N 3.29Å; K31-F33 VanDerWaalsContact C-N 3.31Å; K31-F33 PolarHBondContact O-N 2.86Å; F33-G37 VanDerWaalsContact O-CA 3.23Å; F33-G37 WeakPolarHBondContact O-CA 3.48Å; F33-G37 PolarHBondContact O-N 3.45Å; F33-F41 HydrophobicContact CZ-CE2 4.43Å; F33-W71 HydrophobicContact CD1-CH2 4.38Å; F33-W71 AromaticContact CD2-CH2 3.72Å; F33-W71 HydrophobicContact CD2-CH2 3.72Å; F33-W71 HydrophobicContact CD2-CZ2 4.2Å; F33-W71 HydrophobicContact CD2-CZ3 4.47Å; F33-W71 HydrophobicContact CE1-CH2 4.18Å; F33-W71 AromaticContact CE2-CH2 3.48Å; F33-W71 HydrophobicContact CE2-CH2 3.48Å; F33-W71 VanDerWaalsContact CE2-CH2 3.48Å; F33-W71 HydrophobicContact CE2-CZ2 4.33Å; F33-W71 AromaticContact CE2-CZ3 3.81Å; F33-W71 HydrophobicContact CE2-CZ3 3.81Å; F33-W71 HydrophobicContact CG-CH2 4.17Å; F33-W71 AromaticContact CZ-CH2 3.73Å; F33-W71 HydrophobicContact CZ-CH2 3.73Å; F33-W71 AromaticContact CZ-CZ3 3.94Å; F33-W71 HydrophobicContact CZ-CZ3 3.94Å; F33-M72 HydrophobicContact CE2-SD 4.1Å; F33-M72 HydrophobicContact CZ-CE 4.36Å; F33-M72 HydrophobicContact CZ-SD 3.96Å; F33-K75 HydrophobicContact CD2-CB 3.79Å; F33-K75 HydrophobicContact CD2-CD 4.28Å; F33-K75 HydrophobicContact CD2-CG 3.84Å; F33-K75 HydrophobicContact CE2-CB 3.87Å; F33-K75 HydrophobicContact CE2-CG 4.14Å; F33-I97 HydrophobicContact CB-CD1 4.3Å; F33-I97 HydrophobicContact CD1-CD1 3.92Å; F33-I97 HydrophobicContact CD1-CG1 4.13Å; F33-I97 HydrophobicContact CD2-CD1 3.92Å; F33-I97 HydrophobicContact CD2-CG1 4.22Å; F33-I97 HydrophobicContact CD2-CG2 4.06Å; F33-I97 HydrophobicContact CE1-CD1 4.23Å; F33-I97 HydrophobicContact CE1-CG1 3.91Å; F33-I97 HydrophobicContact CE2-CB 4.41Å; F33-I97 HydrophobicContact CE2-CD1 4.24Å; F33-I97 HydrophobicContact CE2-CG1 4.02Å; F33-I97 HydrophobicContact CE2-CG2 3.6Å; F33-I97 HydrophobicContact CG-CD1 3.76Å; F33-I97 HydrophobicContact CG-CG1 4.29Å; F33-I97 HydrophobicContact CZ-CB 4.48Å; F33-I97 HydrophobicContact CZ-CD1 4.38Å; F33-I97 HydrophobicContact CZ-CG1 3.85Å; F33-I97 HydrophobicContact CZ-CG2 4.09Å; F33-V383 HydrophobicContact CE1-CG1 4.3Å; F33-Y384 AromaticContact CD1-CD1 3.87Å; F33-Y384 HydrophobicContact CD1-CD1 3.87Å; F33-Y384 HydrophobicContact CE1-CD1 4.37Å
34	D	94.8	Very high	94.3	Very high	31 Å²	31	59.3 Å²	59.3	17%	0.166	28%	0.284	C	S	.	.	H	α-helix	trans	-64	-52.1	-179.9	-168.6	52.8	0	0	0	111.5	L30 K31 N32 G37 Q38 P382 V383 Y384	L30-D34 PolarHBondContact O-N 3Å; K31-D34 PolarHBondContact O-N 3.3Å; N32-D34 VanDerWaalsContact C-N 3.33Å; D34-G37 PolarHBondContact O-N 2.95Å; D34-Q38 WeakPolarHBondContact O-CG 3.43Å; D34-Q38 PolarHBondContact O-N 2.91Å; D34-P382 HydrophobicContact CB-CB 4.43Å; D34-P382 VanDerWaalsContact OD1-CA 3.26Å; D34-P382 WeakPolarHBondContact OD1-CA 3.26Å; D34-P382 WeakPolarHBondContact OD1-CB 3.49Å; D34-V383 WeakPolarHBondContact OD1-CG2 3.46Å; D34-V383 PolarHBondContact OD1-N 2.97Å; D34-Y384 HydrophobicContact CB-CE1 4.41Å
35	E	93.6	Very high	94.8	Very high	100 Å²	100	55 Å²	55	47%	0.467	27%	0.265	S	S	.	.	H	α-helix	trans	-61.4	-48	-178.7	-69.9	177.4	179.2	0	0	112.5	K31	K31-E35 WeakPolarHBondContact CE-OE1 3.48Å; K31-E35 IonicContact NZ-OE1 2.67Å; K31-E35 PolarHBondContact O-N 3.44Å
36	E	95.4	Very high	95	Very high	78 Å²	78	55.7 Å²	55.7	36%	0.364	27%	0.271	S	S	.	.	H	α-helix	trans	-70.9	-37.1	177.5	-69.7	176.2	-138.2	0	0	112	N32 Q38 N39 K40 W71 K75	N32-E36 WeakPolarHBondContact O-CB 2.85Å; N32-E36 WeakPolarHBondContact O-CG 3.32Å; N32-E36 PolarHBondContact O-N 2.88Å; E36-Q38 PolarHBondContact O-N 3.47Å; E36-N39 PolarHBondContact O-N 2.91Å; E36-K40 WeakPolarHBondContact O-CG 3.42Å; E36-K40 PolarHBondContact O-N 3.29Å; E36-W71 HydrophobicContact CB-CZ2 3.79Å; E36-W71 PolarHBondContact OE2-NE1 3.35Å; E36-K75 IonicContact OE1-NZ 2.81Å; E36-K75 PolarHBondContact OE1-NZ 2.96Å; E36-K75 WeakPolarHBondContact OE2-CE 3.46Å; E36-K75 IonicContact OE2-NZ 3.72Å; E36-K75 PolarHBondContact OE2-NZ 3.15Å
37	G	94.2	Very high	95.1	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-62.1	-42.5	-174.3	0	0	0	0	0	112.2	F33 D34 N39 K40 F41	F33-G37 VanDerWaalsContact O-CA 3.23Å; F33-G37 WeakPolarHBondContact O-CA 3.48Å; F33-G37 PolarHBondContact O-N 3.45Å; D34-G37 PolarHBondContact O-N 2.95Å; G37-N39 VanDerWaalsContact C-N 3.28Å; G37-N39 PolarHBondContact O-N 3.18Å; G37-K40 PolarHBondContact O-N 3.37Å; G37-K40 VanDerWaalsContact O-N 3.11Å; G37-F41 WeakPolarHBondContact O-CB 3.45Å; G37-F41 VanDerWaalsContact O-CD2 3.25Å; G37-F41 WeakPolarHBondContact O-CD2 2.87Å; G37-F41 PolarHBondContact O-N 3.26Å
38	Q	92.5	Very high	95.1	Very high	59 Å²	59	52.2 Å²	52.2	28%	0.276	26%	0.258	S	S	.	.	H	α-helix	trans	-50.6	-49	178.9	-70.9	175.7	23.8	0	0	111.9	D34 E36 K42 P341 V383	D34-Q38 WeakPolarHBondContact O-CG 3.43Å; D34-Q38 PolarHBondContact O-N 2.91Å; E36-Q38 PolarHBondContact O-N 3.47Å; Q38-K42 WeakPolarHBondContact O-CB 3.49Å; Q38-K42 PolarHBondContact O-N 3.43Å; Q38-P341 WeakPolarHBondContact O-CG 3.36Å; Q38-V383 HydrophobicContact CG-CG2 3.56Å
39	N	92.6	Very high	95.1	Very high	113 Å²	113	50.2 Å²	50.2	60%	0.604	24%	0.244	S	C	*	.	H	α-helix	trans	-69.3	-41.2	179.6	-72.3	-40.9	0	0	0	112.9	E36 G37 Q43	E36-N39 PolarHBondContact O-N 2.91Å; G37-N39 VanDerWaalsContact C-N 3.28Å; G37-N39 PolarHBondContact O-N 3.18Å; N39-Q43 PolarHBondContact O-N 2.01Å
40	K	95	Very high	95	Very high	68 Å²	68	51.8 Å²	51.8	30%	0.296	26%	0.258	S	S	.	.	H	α-helix	trans	-66.8	-44.4	-178.5	-67.1	-66.1	-178.8	-171.5	0	112.2	E36 G37 H44 L68 W71	E36-K40 WeakPolarHBondContact O-CG 3.42Å; E36-K40 PolarHBondContact O-N 3.29Å; G37-K40 PolarHBondContact O-N 3.37Å; G37-K40 VanDerWaalsContact O-N 3.11Å; K40-H44 PolarHBondContact O-N 3.31Å; K40-L68 HydrophobicContact CB-CD1 3.82Å; K40-W71 HydrophobicContact CB-CD2 4.28Å; K40-W71 HydrophobicContact CB-CE3 4.2Å; K40-W71 HydrophobicContact CD-CG 4.33Å; K40-W71 HydrophobicContact CG-CD2 3.89Å; K40-W71 HydrophobicContact CG-CE3 4.32Å; K40-W71 HydrophobicContact CG-CG 4Å
41	F	94.4	Very high	94.9	Very high	38 Å²	38	52 Å²	52	17%	0.167	26%	0.258	C	S	.	.	H	α-helix	trans	-67.2	-43.7	176.9	-81.3	-78.9	0	0	0	111	F33 G37 Q43 H44 L45 L68 W71 M72 P341 V383	F33-F41 HydrophobicContact CZ-CE2 4.43Å; G37-F41 WeakPolarHBondContact O-CB 3.45Å; G37-F41 VanDerWaalsContact O-CD2 3.25Å; G37-F41 WeakPolarHBondContact O-CD2 2.87Å; G37-F41 PolarHBondContact O-N 3.26Å; F41-Q43 PolarHBondContact O-N 3.05Å; F41-H44 PolarHBondContact O-N 2.88Å; F41-L45 WeakPolarHBondContact O-CB 3.13Å; F41-L45 VanDerWaalsContact O-CG 3.29Å; F41-L45 WeakPolarHBondContact O-CG 3.35Å; F41-L45 PolarHBondContact O-N 2.9Å; F41-L68 HydrophobicContact CD1-CD1 4.1Å; F41-L68 HydrophobicContact CD1-CD2 3.83Å; F41-L68 HydrophobicContact CD2-CD1 4.19Å; F41-L68 HydrophobicContact CE1-CD1 4.15Å; F41-L68 HydrophobicContact CE1-CD2 3.98Å; F41-L68 HydrophobicContact CE2-CD1 4.24Å; F41-L68 HydrophobicContact CG-CD1 4.12Å; F41-L68 HydrophobicContact CZ-CD1 4.21Å; F41-W71 HydrophobicContact CD2-CZ3 4.5Å; F41-W71 AromaticContact CE2-CZ3 3.92Å; F41-W71 HydrophobicContact CE2-CZ3 3.92Å; F41-M72 HydrophobicContact CE2-SD 4.05Å; F41-M72 HydrophobicContact CZ-CE 4.49Å; F41-M72 HydrophobicContact CZ-SD 3.71Å; F41-P341 HydrophobicContact CB-CB 4.22Å; F41-P341 HydrophobicContact CB-CG 3.79Å; F41-V383 HydrophobicContact CD2-CG1 3.63Å; F41-V383 HydrophobicContact CE2-CG1 3.69Å; F41-V383 HydrophobicContact CG-CG1 4.5Å
42	K	93.8	Very high	94.8	Very high	74 Å²	74	46.8 Å²	46.8	32%	0.322	24%	0.236	S	C	.	.	H	α-helix	trans	-54.2	-52.7	175.5	178.6	-172.6	-172.6	147.7	0	111.9	Q38 H44 L45 T46 Y340 P341 D345	Q38-K42 WeakPolarHBondContact O-CB 3.49Å; Q38-K42 PolarHBondContact O-N 3.43Å; K42-H44 VanDerWaalsContact C-N 3.32Å; K42-H44 PolarHBondContact O-N 3.49Å; K42-L45 PolarHBondContact O-N 3.31Å; K42-T46 PolarHBondContact O-N 3.31Å; K42-T46 PolarHBondContact O-OG1 3.28Å; K42-T46 VanDerWaalsContact O-OG1 3.09Å; K42-Y340 HydrophobicContact CB-CD1 4.43Å; K42-Y340 HydrophobicContact CG-CD1 4.15Å; K42-Y340 HydrophobicContact CG-CE1 4.27Å; K42-P341 HydrophobicContact CB-CG 4.3Å; K42-D345 WeakPolarHBondContact CD-OD2 3.41Å; K42-D345 WeakPolarHBondContact CE-OD1 3.37Å; K42-D345 VanDerWaalsContact CE-OD2 3.32Å; K42-D345 WeakPolarHBondContact CE-OD2 3.45Å; K42-D345 IonicContact NZ-OD1 2.63Å; K42-D345 PolarHBondContact NZ-OD1 2.96Å; K42-D345 IonicContact NZ-OD2 3.47Å; K42-D345 PolarHBondContact NZ-OD2 2.85Å; K42-D345 VanDerWaalsContact NZ-OD2 3.09Å
43	Q	94.7	Very high	94.5	Very high	85 Å²	85	47 Å²	47	40%	0.397	24%	0.235	S	C	.	.	H	α-helix	trans	-55.6	-48.3	-179.9	-177.9	-174.7	-6.8	0	0	111.5	N39 F41 T46 E47	N39-Q43 PolarHBondContact O-N 2.01Å; F41-Q43 PolarHBondContact O-N 3.05Å; Q43-T46 PolarHBondContact O-N 3.49Å; Q43-E47 PolarHBondContact NE2-OE1 2.93Å; Q43-E47 WeakPolarHBondContact O-CG 2.92Å; Q43-E47 PolarHBondContact O-N 3.31Å
44	H	96	Very high	94.3	Very high	29 Å²	29	54.9 Å²	54.9	13%	0.134	27%	0.265	C	S	.	.	H	α-helix	trans	-63.1	-43.8	-179.9	-176.7	61.6	0	0	0	112.4	K40 F41 K42 T46 E47 V48 S66 L68	K40-H44 PolarHBondContact O-N 3.31Å; F41-H44 PolarHBondContact O-N 2.88Å; K42-H44 VanDerWaalsContact C-N 3.32Å; K42-H44 PolarHBondContact O-N 3.49Å; H44-T46 VanDerWaalsContact C-N 3.3Å; H44-T46 PolarHBondContact O-N 3.41Å; H44-E47 IonicContact ND1-OE2 3.75Å; H44-E47 WeakPolarHBondContact O-CB 3.27Å; H44-E47 PolarHBondContact O-N 3.2Å; H44-E47 VanDerWaalsContact O-N 3.16Å; H44-V48 WeakPolarHBondContact O-CG2 3.4Å; H44-V48 PolarHBondContact O-N 2.72Å; H44-S66 VanDerWaalsContact ND1-CB 3.33Å; H44-S66 WeakPolarHBondContact ND1-CB 3.37Å; H44-S66 PolarHBondContact ND1-OG 3.23Å; H44-L68 HydrophobicContact CB-CB 3.98Å; H44-L68 HydrophobicContact CB-CD2 3.57Å; H44-L68 HydrophobicContact CB-CG 4.36Å; H44-L68 VanDerWaalsContact CD2-CD2 3.49Å; H44-L68 WeakPolarHBondContact CD2-CD2 3.24Å
45	L	95.7	Very high	94.3	Very high	28 Å²	28	53.6 Å²	53.6	15%	0.147	26%	0.258	C	S	.	.	H	α-helix	trans	-65.4	-34.9	-179.8	-71	173	0	0	0	112.1	F41 K42 V48 Q49 L338 I339 Y340	F41-L45 WeakPolarHBondContact O-CB 3.13Å; F41-L45 VanDerWaalsContact O-CG 3.29Å; F41-L45 WeakPolarHBondContact O-CG 3.35Å; F41-L45 PolarHBondContact O-N 2.9Å; K42-L45 PolarHBondContact O-N 3.31Å; L45-V48 PolarHBondContact O-N 3.45Å; L45-Q49 WeakPolarHBondContact O-CB 3.25Å; L45-Q49 PolarHBondContact O-N 3.26Å; L45-L338 HydrophobicContact CD2-CD2 4.17Å; L45-I339 WeakPolarHBondContact CD1-O 3.24Å; L45-Y340 HydrophobicContact CB-CD1 4.02Å; L45-Y340 HydrophobicContact CB-CE1 3.54Å; L45-Y340 HydrophobicContact CB-CE2 4.41Å; L45-Y340 HydrophobicContact CD1-CD1 4.1Å; L45-Y340 HydrophobicContact CD1-CE1 4.45Å; L45-Y340 HydrophobicContact CD1-CG 4.22Å
46	T	95	Very high	94.3	Very high	72 Å²	72	50.8 Å²	50.8	44%	0.442	25%	0.247	S	C	.	.	H	α-helix	trans	-63.8	-40.3	172.1	-58.3	0	0	0	0	112	K42 Q43 H44 V48 Q49 A50 Y340	K42-T46 PolarHBondContact O-N 3.31Å; K42-T46 PolarHBondContact O-OG1 3.28Å; K42-T46 VanDerWaalsContact O-OG1 3.09Å; Q43-T46 PolarHBondContact O-N 3.49Å; H44-T46 VanDerWaalsContact C-N 3.3Å; H44-T46 PolarHBondContact O-N 3.41Å; T46-V48 VanDerWaalsContact C-N 3.35Å; T46-Q49 PolarHBondContact O-N 2.95Å; T46-A50 WeakPolarHBondContact O-CB 3.45Å; T46-A50 PolarHBondContact O-N 2.93Å; T46-Y340 WeakPolarHBondContact CA-OH 3.27Å; T46-Y340 PolarHBondContact N-OH 3.44Å; T46-Y340 PolarHBondContact OG1-OH 2.85Å
47	E	96.8	Very high	94.3	Very high	34 Å²	34	54.4 Å²	54.4	16%	0.159	26%	0.262	C	S	.	.	H	α-helix	trans	-64.2	-40.2	174.2	-65.8	163.3	172.1	0	0	111.4	Q43 H44 A50 L51 A62 V63 S66	Q43-E47 PolarHBondContact NE2-OE1 2.93Å; Q43-E47 WeakPolarHBondContact O-CG 2.92Å; Q43-E47 PolarHBondContact O-N 3.31Å; H44-E47 IonicContact ND1-OE2 3.75Å; H44-E47 WeakPolarHBondContact O-CB 3.27Å; H44-E47 PolarHBondContact O-N 3.2Å; H44-E47 VanDerWaalsContact O-N 3.16Å; E47-A50 PolarHBondContact O-N 3.34Å; E47-L51 WeakPolarHBondContact O-CB 2.96Å; E47-L51 PolarHBondContact O-N 2.68Å; E47-A62 HydrophobicContact CB-CB 4.4Å; E47-A62 HydrophobicContact CG-CB 4.21Å; E47-V63 HydrophobicContact CB-CG2 4.04Å; E47-S66 WeakPolarHBondContact OE2-CB 3.43Å; E47-S66 PolarHBondContact OE2-OG 2.89Å
48	V	96.1	Very high	94.4	Very high	21 Å²	21	58.1 Å²	58.1	13%	0.127	29%	0.288	C	S	.	.	H	α-helix	trans	-66.8	-43.3	175.7	174.9	0	0	0	0	111.2	H44 L45 T46 A50 L51 F52 V63 L338	H44-V48 WeakPolarHBondContact O-CG2 3.4Å; H44-V48 PolarHBondContact O-N 2.72Å; L45-V48 PolarHBondContact O-N 3.45Å; T46-V48 VanDerWaalsContact C-N 3.35Å; V48-A50 VanDerWaalsContact C-N 3.33Å; V48-A50 PolarHBondContact O-N 3.48Å; V48-L51 WeakPolarHBondContact O-CB 3.41Å; V48-L51 PolarHBondContact O-N 3.19Å; V48-L51 VanDerWaalsContact O-N 3.13Å; V48-F52 HydrophobicContact CG1-CD2 3.91Å; V48-F52 HydrophobicContact CG1-CE2 3.89Å; V48-F52 WeakPolarHBondContact O-CD2 3.4Å; V48-F52 PolarHBondContact O-N 2.74Å; V48-V63 HydrophobicContact CG2-CG2 4.15Å; V48-L338 HydrophobicContact CB-CD1 4.48Å; V48-L338 HydrophobicContact CG1-CD1 4.16Å; V48-L338 HydrophobicContact CG1-CD2 3.84Å
49	Q	94.8	Very high	94.6	Very high	29 Å²	29	56.1 Å²	56.1	14%	0.136	28%	0.28	C	S	.	.	H	α-helix	trans	-57.9	-47.2	175.6	-174.8	176.1	-21.6	0	0	111	L45 T46 L51 F52 Q53 L338 Y340 W348	L45-Q49 WeakPolarHBondContact O-CB 3.25Å; L45-Q49 PolarHBondContact O-N 3.26Å; T46-Q49 PolarHBondContact O-N 2.95Å; Q49-L51 VanDerWaalsContact C-N 3.29Å; Q49-L51 PolarHBondContact O-N 2.91Å; Q49-F52 PolarHBondContact O-N 3.39Å; Q49-Q53 WeakPolarHBondContact O-CG 3.46Å; Q49-Q53 PolarHBondContact O-N 3.39Å; Q49-L338 HydrophobicContact CB-CD1 3.67Å; Q49-L338 HydrophobicContact CG-CD1 4.35Å; Q49-Y340 PolarHBondContact OE1-OH 3.48Å; Q49-W348 HydrophobicContact CG-CD2 3.98Å; Q49-W348 HydrophobicContact CG-CE3 4.45Å; Q49-W348 HydrophobicContact CG-CG 4.26Å; Q49-W348 HydrophobicContact CG-CZ2 4.15Å
50	A	94.8	Very high	94.9	Very high	37 Å²	37	51.9 Å²	51.9	31%	0.306	26%	0.256	S	S	.	.	H	α-helix	trans	-61.1	-37.3	176.1	0	0	0	0	0	112.4	T46 E47 V48 Q53 R54 T59	T46-A50 WeakPolarHBondContact O-CB 3.45Å; T46-A50 PolarHBondContact O-N 2.93Å; E47-A50 PolarHBondContact O-N 3.34Å; V48-A50 VanDerWaalsContact C-N 3.33Å; V48-A50 PolarHBondContact O-N 3.48Å; A50-Q53 PolarHBondContact O-N 3.4Å; A50-R54 PolarHBondContact O-N 3.03Å; A50-T59 HydrophobicContact CB-CG2 4.23Å
51	L	95.2	Very high	95	Very high	7 Å²	7	52.9 Å²	52.9	4%	0.037	26%	0.262	C	S	.	.	H	α-helix	trans	-61.9	-43.4	174.3	176.9	73.3	0	0	0	112.2	E47 V48 Q49 R54 F55 K60 V63 L117	E47-L51 WeakPolarHBondContact O-CB 2.96Å; E47-L51 PolarHBondContact O-N 2.68Å; V48-L51 WeakPolarHBondContact O-CB 3.41Å; V48-L51 PolarHBondContact O-N 3.19Å; V48-L51 VanDerWaalsContact O-N 3.13Å; Q49-L51 VanDerWaalsContact C-N 3.29Å; Q49-L51 PolarHBondContact O-N 2.91Å; L51-R54 CarbonylContact O-C 3.57Å; L51-R54 PolarHBondContact O-N 2.99Å; L51-F55 HydrophobicContact CD1-CD2 3.48Å; L51-F55 VanDerWaalsContact CD1-CD2 3.48Å; L51-F55 HydrophobicContact CD1-CE2 3.6Å; L51-F55 HydrophobicContact CD1-CG 4.4Å; L51-F55 HydrophobicContact CD2-CD2 4.43Å; L51-F55 HydrophobicContact CD2-CE2 4.01Å; L51-F55 HydrophobicContact CG-CD2 3.7Å; L51-F55 HydrophobicContact CG-CE2 3.78Å; L51-F55 WeakPolarHBondContact O-CA 3.49Å; L51-F55 PolarHBondContact O-N 3.17Å; L51-F55 VanDerWaalsContact O-N 3.14Å; L51-K60 HydrophobicContact CD1-CB 4.41Å; L51-K60 HydrophobicContact CD1-CG 3.74Å; L51-V63 HydrophobicContact CB-CG2 4.07Å; L51-V63 HydrophobicContact CD2-CB 4.5Å; L51-V63 HydrophobicContact CD2-CG2 3.94Å; L51-L117 HydrophobicContact CD1-CD2 4.45Å; L51-L117 HydrophobicContact CD2-CD2 3.46Å; L51-L117 VanDerWaalsContact CD2-CD2 3.46Å
52	F	92.8	Very high	95.2	Very high	18 Å²	18	52.8 Å²	52.8	8%	0.079	27%	0.268	C	S	.	.	H	α-helix	trans	-67.9	-39.5	177.3	-89	-97.3	0	0	0	112.2	V48 Q49 F120 R331 I332 T336 W348	V48-F52 HydrophobicContact CG1-CD2 3.91Å; V48-F52 HydrophobicContact CG1-CE2 3.89Å; V48-F52 WeakPolarHBondContact O-CD2 3.4Å; V48-F52 PolarHBondContact O-N 2.74Å; Q49-F52 PolarHBondContact O-N 3.39Å; F52-F120 HydrophobicContact CE1-CE1 4.45Å; F52-F120 AromaticContact CE1-CZ 3.92Å; F52-F120 HydrophobicContact CE1-CZ 3.92Å; F52-F120 HydrophobicContact CE2-CZ 4.4Å; F52-F120 HydrophobicContact CZ-CE1 4.33Å; F52-F120 HydrophobicContact CZ-CE2 4.37Å; F52-F120 AromaticContact CZ-CZ 3.59Å; F52-F120 HydrophobicContact CZ-CZ 3.59Å; F52-R331 WeakPolarHBondContact O-CA 3.37Å; F52-I332 HydrophobicContact CD1-CB 3.7Å; F52-I332 HydrophobicContact CD1-CG1 4.45Å; F52-I332 HydrophobicContact CD1-CG2 3.67Å; F52-I332 HydrophobicContact CE1-CB 4.15Å; F52-I332 HydrophobicContact CE1-CG2 3.61Å; F52-I332 HydrophobicContact CG-CB 4.4Å; F52-I332 PolarHBondContact O-N 3.42Å; F52-T336 HydrophobicContact CD1-CG2 4.33Å; F52-T336 HydrophobicContact CE1-CG2 3.85Å; F52-T336 WeakPolarHBondContact CE1-OG1 3.3Å; F52-T336 HydrophobicContact CE2-CG2 4.29Å; F52-T336 HydrophobicContact CZ-CG2 3.82Å; F52-W348 HydrophobicContact CB-CH2 3.79Å; F52-W348 HydrophobicContact CB-CZ3 4.36Å; F52-W348 HydrophobicContact CG-CH2 4.39Å
53	Q	91.1	Very high	95.3	Very high	67 Å²	67	49.9 Å²	49.9	31%	0.313	26%	0.256	S	S	.	.	H	α-helix	trans	-67.5	-37.4	176.3	-70.4	175.7	-29.4	0	0	112	Q49 A50 R331 W348	Q49-Q53 WeakPolarHBondContact O-CG 3.46Å; Q49-Q53 PolarHBondContact O-N 3.39Å; A50-Q53 PolarHBondContact O-N 3.4Å; Q53-R331 WeakPolarHBondContact O-CB 3.47Å; Q53-W348 HydrophobicContact CG-CZ2 4.3Å
54	R	92.3	Very high	95.5	Very high	165 Å²	165	46.9 Å²	46.9	62%	0.623	24%	0.243	S	C	*	.			trans	-142.1	99.6	177.9	-62.2	-175.2	71.9	147.4	4	110.4	A50 L51 V56 T59 C330	A50-R54 PolarHBondContact O-N 3.03Å; L51-R54 CarbonylContact O-C 3.57Å; L51-R54 PolarHBondContact O-N 2.99Å; R54-V56 VanDerWaalsContact C-N 3.31Å; R54-V56 HydrophobicContact CB-CG2 4.28Å; R54-V56 PolarHBondContact O-N 3.22Å; R54-T59 WeakPolarHBondContact O-CB 3.39Å; R54-T59 WeakPolarHBondContact O-CG2 3.37Å; R54-T59 PolarHBondContact O-OG1 3.44Å; R54-C330 CarbonylContact C-O 3.54Å
55	F	93	Very high	95.5	Very high	3 Å²	3	50 Å²	50	1%	0.013	26%	0.261	C	S	.	.			trans	-81.4	73.7	178.1	-154.2	-107.1	0	0	0	111.3	L51 L117 F120 E121 C330 I332	L51-F55 HydrophobicContact CD1-CD2 3.48Å; L51-F55 VanDerWaalsContact CD1-CD2 3.48Å; L51-F55 HydrophobicContact CD1-CE2 3.6Å; L51-F55 HydrophobicContact CD1-CG 4.4Å; L51-F55 HydrophobicContact CD2-CD2 4.43Å; L51-F55 HydrophobicContact CD2-CE2 4.01Å; L51-F55 HydrophobicContact CG-CD2 3.7Å; L51-F55 HydrophobicContact CG-CE2 3.78Å; L51-F55 WeakPolarHBondContact O-CA 3.49Å; L51-F55 PolarHBondContact O-N 3.17Å; L51-F55 VanDerWaalsContact O-N 3.14Å; F55-L117 HydrophobicContact CE2-CD2 4.23Å; F55-L117 HydrophobicContact CZ-CD2 4.37Å; F55-F120 AromaticContact CE2-CD1 3.64Å; F55-F120 HydrophobicContact CE2-CD1 3.64Å; F55-F120 HydrophobicContact CE2-CE1 4.19Å; F55-F120 HydrophobicContact CE2-CG 4.49Å; F55-F120 HydrophobicContact CZ-CB 4.13Å; F55-F120 AromaticContact CZ-CD1 3.66Å; F55-F120 HydrophobicContact CZ-CD1 3.66Å; F55-F120 HydrophobicContact CZ-CG 4.31Å; F55-E121 WeakPolarHBondContact CD1-OE1 3.5Å; F55-E121 HydrophobicContact CE1-CG 3.87Å; F55-E121 WeakPolarHBondContact CE1-OE1 2.9Å; F55-C330 WeakPolarHBondContact CA-O 3.11Å; F55-C330 WeakPolarHBondContact CB-O 3.38Å; F55-C330 PolarHBondContact N-O 3.45Å; F55-I332 HydrophobicContact CB-CD1 3.9Å; F55-I332 HydrophobicContact CB-CG1 3.94Å; F55-I332 HydrophobicContact CD1-CD1 4.01Å; F55-I332 HydrophobicContact CD2-CD1 3.68Å; F55-I332 HydrophobicContact CD2-CG1 3.57Å; F55-I332 HydrophobicContact CE1-CD1 4.43Å; F55-I332 HydrophobicContact CE2-CD1 4.17Å; F55-I332 HydrophobicContact CE2-CG1 4.24Å; F55-I332 HydrophobicContact CG-CD1 3.59Å; F55-I332 HydrophobicContact CG-CG1 3.85Å
56	V	93.6	Very high	95.5	Very high	41 Å²	41	49 Å²	49	25%	0.248	26%	0.256	C	S	.	.	S	Bend	trans	-127.4	169.1	-175.4	-63.2	0	0	0	0	110.7	R54 S58 T59 K60 C330	R54-V56 VanDerWaalsContact C-N 3.31Å; R54-V56 HydrophobicContact CB-CG2 4.28Å; R54-V56 PolarHBondContact O-N 3.22Å; V56-S58 VanDerWaalsContact C-N 3.32Å; V56-S58 PolarHBondContact O-N 3.41Å; V56-T59 HydrophobicContact CG2-CG2 4.23Å; V56-T59 PolarHBondContact N-OG1 3.42Å; V56-T59 PolarHBondContact O-N 3.2Å; V56-T59 PolarHBondContact O-OG1 2.93Å; V56-K60 WeakPolarHBondContact O-CG 3.35Å; V56-K60 PolarHBondContact O-N 3.35Å; V56-C330 HydrophobicContact CG1-CB 4.08Å
57	K	95.4	Very high	95.5	Very high	154 Å²	154	48.3 Å²	48.3	67%	0.67	25%	0.252	S	S	*	.	H	α-helix	trans	-52.7	-45.3	-176.9	-177.2	175.4	172.3	179	0	113.4	T59 K60 E61	K57-T59 PolarHBondContact O-N 2.99Å; K57-K60 PolarHBondContact O-N 3.21Å; K57-E61 WeakPolarHBondContact CE-OE1 3.47Å; K57-E61 HydrophobicContact CG-CG 4.46Å; K57-E61 IonicContact NZ-OE1 2.66Å; K57-E61 WeakPolarHBondContact O-CB 3.47Å; K57-E61 WeakPolarHBondContact O-CG 3.32Å; K57-E61 PolarHBondContact O-N 3.07Å
58	S	96.8	Very high	95.4	Very high	79 Å²	79	46.9 Å²	46.9	55%	0.552	25%	0.246	S	C	*	.	H	α-helix	trans	-65.4	-40	-176.6	52.8	0	0	0	0	113.6	V56 E61 A62	V56-S58 VanDerWaalsContact C-N 3.32Å; V56-S58 PolarHBondContact O-N 3.41Å; S58-E61 PolarHBondContact O-N 2.93Å; S58-A62 PolarHBondContact O-N 2.92Å
59	T	97.2	Very high	95.3	Very high	17 Å²	17	47.6 Å²	47.6	10%	0.104	25%	0.248	C	C	.	.	H	α-helix	trans	-74.8	-34.7	178.1	52.5	0	0	0	0	111.6	A50 R54 V56 K57 A62 V63	A50-T59 HydrophobicContact CB-CG2 4.23Å; R54-T59 WeakPolarHBondContact O-CB 3.39Å; R54-T59 WeakPolarHBondContact O-CG2 3.37Å; R54-T59 PolarHBondContact O-OG1 3.44Å; V56-T59 HydrophobicContact CG2-CG2 4.23Å; V56-T59 PolarHBondContact N-OG1 3.42Å; V56-T59 PolarHBondContact O-N 3.2Å; V56-T59 PolarHBondContact O-OG1 2.93Å; K57-T59 PolarHBondContact O-N 2.99Å; T59-A62 PolarHBondContact O-N 2.77Å; T59-V63 PolarHBondContact O-N 3.05Å; T59-V63 VanDerWaalsContact O-N 3.14Å
60	K	97.4	Very high	95.2	Very high	24 Å²	24	48.6 Å²	48.6	10%	0.104	27%	0.266	C	S	.	.	H	α-helix	trans	-58.8	-48.1	169	-71.1	-176.9	-179.5	-169.7	0	111.2	L51 V56 K57 A62 V63 I64 L117 E118 E121	L51-K60 HydrophobicContact CD1-CB 4.41Å; L51-K60 HydrophobicContact CD1-CG 3.74Å; V56-K60 WeakPolarHBondContact O-CG 3.35Å; V56-K60 PolarHBondContact O-N 3.35Å; K57-K60 PolarHBondContact O-N 3.21Å; K60-A62 VanDerWaalsContact C-N 3.31Å; K60-A62 PolarHBondContact O-N 2.82Å; K60-V63 PolarHBondContact O-N 3.34Å; K60-I64 VanDerWaalsContact O-CG1 3.26Å; K60-I64 WeakPolarHBondContact O-CG1 3.16Å; K60-I64 PolarHBondContact O-N 2.9Å; K60-L117 HydrophobicContact CB-CD1 4.01Å; K60-L117 HydrophobicContact CG-CD1 4.2Å; K60-E118 IonicContact NZ-OE1 3.9Å; K60-E121 WeakPolarHBondContact CE-OE1 3.46Å; K60-E121 IonicContact NZ-OE1 2.68Å; K60-E121 PolarHBondContact NZ-OE1 3.24Å
61	E	97.9	Very high	95.3	Very high	89 Å²	89	47.6 Å²	47.6	42%	0.416	25%	0.254	S	S	.	.	H	α-helix	trans	-61.1	-37.8	177.9	-76.4	173.4	175.2	0	0	112.3	K57 S58 I64 N65	K57-E61 WeakPolarHBondContact CE-OE1 3.47Å; K57-E61 HydrophobicContact CG-CG 4.46Å; K57-E61 IonicContact NZ-OE1 2.66Å; K57-E61 WeakPolarHBondContact O-CB 3.47Å; K57-E61 WeakPolarHBondContact O-CG 3.32Å; K57-E61 PolarHBondContact O-N 3.07Å; S58-E61 PolarHBondContact O-N 2.93Å; E61-I64 PolarHBondContact O-N 3.46Å; E61-N65 WeakPolarHBondContact O-CB 3.43Å; E61-N65 PolarHBondContact O-N 2.65Å; E61-N65 PolarHBondContact O-ND2 3.38Å
62	A	98	Very high	95.3	Very high	36 Å²	36	47.4 Å²	47.4	30%	0.298	25%	0.253	S	S	.	.	H	α-helix	trans	-60.8	-50.5	174.7	0	0	0	0	0	111.7	E47 S58 T59 K60 I64 N65 S66	E47-A62 HydrophobicContact CB-CB 4.4Å; E47-A62 HydrophobicContact CG-CB 4.21Å; S58-A62 PolarHBondContact O-N 2.92Å; T59-A62 PolarHBondContact O-N 2.77Å; K60-A62 VanDerWaalsContact C-N 3.31Å; K60-A62 PolarHBondContact O-N 2.82Å; A62-I64 PolarHBondContact O-N 3.48Å; A62-N65 CarbonylContact O-C 3.6Å; A62-N65 PolarHBondContact O-N 2.66Å; A62-S66 PolarHBondContact O-N 2.73Å
63	V	97.5	Very high	95.4	Very high	12 Å²	12	47.5 Å²	47.5	7%	0.073	26%	0.255	C	S	.	.	H	α-helix	trans	-62.5	-42.1	178.3	171.8	0	0	0	0	111.9	E47 V48 L51 T59 K60 N65 S66 K113 L117	E47-V63 HydrophobicContact CB-CG2 4.04Å; V48-V63 HydrophobicContact CG2-CG2 4.15Å; L51-V63 HydrophobicContact CB-CG2 4.07Å; L51-V63 HydrophobicContact CD2-CB 4.5Å; L51-V63 HydrophobicContact CD2-CG2 3.94Å; T59-V63 PolarHBondContact O-N 3.05Å; T59-V63 VanDerWaalsContact O-N 3.14Å; K60-V63 PolarHBondContact O-N 3.34Å; V63-N65 VanDerWaalsContact C-N 3.35Å; V63-N65 PolarHBondContact O-N 3.24Å; V63-S66 VanDerWaalsContact O-CB 3.27Å; V63-S66 WeakPolarHBondContact O-CB 3.24Å; V63-S66 PolarHBondContact O-N 3.21Å; V63-K113 WeakPolarHBondContact O-CD 3.35Å; V63-K113 PolarHBondContact O-NZ 2.66Å; V63-L117 HydrophobicContact CG1-CD1 4.47Å
64	I	97.6	Very high	95.6	Very high	22 Å²	22	50 Å²	50	11%	0.113	27%	0.267	C	S	.	.	H	α-helix	trans	-58.6	-48	176.6	-70.3	165.8	0	0	0	110.5	K60 E61 A62 S66 K110 K113 N114 L117	K60-I64 VanDerWaalsContact O-CG1 3.26Å; K60-I64 WeakPolarHBondContact O-CG1 3.16Å; K60-I64 PolarHBondContact O-N 2.9Å; E61-I64 PolarHBondContact O-N 3.46Å; A62-I64 PolarHBondContact O-N 3.48Å; I64-S66 VanDerWaalsContact C-N 3.3Å; I64-S66 PolarHBondContact O-N 2.83Å; I64-K110 HydrophobicContact CG2-CB 4.33Å; I64-K110 HydrophobicContact CG2-CG 4.23Å; I64-K113 HydrophobicContact CG1-CB 4.05Å; I64-K113 WeakPolarHBondContact O-CD 3.32Å; I64-K113 PolarHBondContact O-NZ 2.91Å; I64-N114 HydrophobicContact CD1-CB 4.07Å; I64-L117 HydrophobicContact CD1-CD1 3.99Å; I64-L117 HydrophobicContact CG1-CD1 3.72Å
65	N	96.7	Very high	95.8	Very high	96 Å²	96	42.6 Å²	42.6	51%	0.513	24%	0.239	S	C	.	.	H	α-helix	trans	-83.9	-2.6	-175.8	-66.8	-52.3	0	0	0	114.5	E61 A62 V63	E61-N65 WeakPolarHBondContact O-CB 3.43Å; E61-N65 PolarHBondContact O-N 2.65Å; E61-N65 PolarHBondContact O-ND2 3.38Å; A62-N65 CarbonylContact O-C 3.6Å; A62-N65 PolarHBondContact O-N 2.66Å; V63-N65 VanDerWaalsContact C-N 3.35Å; V63-N65 PolarHBondContact O-N 3.24Å
66	S	95.7	Very high	95.9	Very high	6 Å²	6	42.5 Å²	42.5	4%	0.042	24%	0.239	C	C	.	.			trans	-51.6	126.9	177.4	-163.1	0	0	0	0	112.5	H44 E47 A62 V63 I64 L68 K113	H44-S66 VanDerWaalsContact ND1-CB 3.33Å; H44-S66 WeakPolarHBondContact ND1-CB 3.37Å; H44-S66 PolarHBondContact ND1-OG 3.23Å; E47-S66 WeakPolarHBondContact OE2-CB 3.43Å; E47-S66 PolarHBondContact OE2-OG 2.89Å; A62-S66 PolarHBondContact O-N 2.73Å; V63-S66 VanDerWaalsContact O-CB 3.27Å; V63-S66 WeakPolarHBondContact O-CB 3.24Å; V63-S66 PolarHBondContact O-N 3.21Å; I64-S66 VanDerWaalsContact C-N 3.3Å; I64-S66 PolarHBondContact O-N 2.83Å; S66-L68 PolarHBondContact O-N 3.38Å; S66-K113 PolarHBondContact O-NZ 3.01Å; S66-K113 VanDerWaalsContact O-NZ 3.08Å
67	P	94.6	Very high	95.9	Very high	57 Å²	57	44.1 Å²	44.1	37%	0.37	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-8.6	-173.9	31.4	-36.4	0	0	0	113.6	Q69 G70 W71	P67-Q69 VanDerWaalsContact C-N 3.32Å; P67-Q69 PolarHBondContact O-N 2.89Å; P67-G70 PolarHBondContact O-N 3.28Å; P67-W71 PolarHBondContact O-N 3.49Å
68	L	95.3	Very high	95.8	Very high	5 Å²	5	39.9 Å²	39.9	3%	0.026	23%	0.228	C	C	.	.	H	α-helix	trans	-53.5	-45.3	-174.3	176.5	65.2	0	0	0	112.6	K40 F41 H44 S66 G70 W71 M72	K40-L68 HydrophobicContact CB-CD1 3.82Å; F41-L68 HydrophobicContact CD1-CD1 4.1Å; F41-L68 HydrophobicContact CD1-CD2 3.83Å; F41-L68 HydrophobicContact CD2-CD1 4.19Å; F41-L68 HydrophobicContact CE1-CD1 4.15Å; F41-L68 HydrophobicContact CE1-CD2 3.98Å; F41-L68 HydrophobicContact CE2-CD1 4.24Å; F41-L68 HydrophobicContact CG-CD1 4.12Å; F41-L68 HydrophobicContact CZ-CD1 4.21Å; H44-L68 HydrophobicContact CB-CB 3.98Å; H44-L68 HydrophobicContact CB-CD2 3.57Å; H44-L68 HydrophobicContact CB-CG 4.36Å; H44-L68 VanDerWaalsContact CD2-CD2 3.49Å; H44-L68 WeakPolarHBondContact CD2-CD2 3.24Å; S66-L68 PolarHBondContact O-N 3.38Å; L68-G70 PolarHBondContact O-N 2.89Å; L68-W71 HydrophobicContact CD1-CE3 4Å; L68-W71 HydrophobicContact CD1-CZ3 4.37Å; L68-W71 PolarHBondContact O-N 3.46Å; L68-M72 HydrophobicContact CD1-CG 4.1Å; L68-M72 HydrophobicContact CG-CG 4.29Å; L68-M72 WeakPolarHBondContact O-CB 3.44Å; L68-M72 WeakPolarHBondContact O-CG 3.07Å; L68-M72 PolarHBondContact O-N 3.05Å
69	Q	92.7	Very high	95.7	Very high	36 Å²	36	36.1 Å²	36.1	17%	0.168	20%	0.202	C	C	.	.	H	α-helix	trans	-66.7	-40	-176.9	-67.3	-60.3	-21.6	0	0	112.3	P67 W71 M72 V73 W109	P67-Q69 VanDerWaalsContact C-N 3.32Å; P67-Q69 PolarHBondContact O-N 2.89Å; Q69-W71 VanDerWaalsContact C-N 3.34Å; Q69-W71 PolarHBondContact O-N 2.85Å; Q69-M72 PolarHBondContact O-N 2.8Å; Q69-V73 WeakPolarHBondContact O-CG2 3.36Å; Q69-V73 PolarHBondContact O-N 3.46Å; Q69-W109 HydrophobicContact CB-CD2 4.29Å; Q69-W109 HydrophobicContact CB-CG 4.4Å; Q69-W109 HydrophobicContact CG-CD2 4.44Å; Q69-W109 HydrophobicContact CG-CE3 4.39Å
70	G	93.4	Very high	95.4	Very high	50 Å²	50	40 Å²	40	52%	0.515	22%	0.222	S	C	.	.	H	α-helix	trans	-62.6	-42.8	174.6	0	0	0	0	0	111.8	P67 L68 V73 Q74	P67-G70 PolarHBondContact O-N 3.28Å; L68-G70 PolarHBondContact O-N 2.89Å; G70-V73 PolarHBondContact O-N 2.82Å; G70-Q74 PolarHBondContact O-N 2.9Å
71	W	96.3	Very high	95	Very high	15 Å²	15	44.6 Å²	44.6	6%	0.057	24%	0.242	C	C	.	.	H	α-helix	trans	-63.4	-43.7	174.7	177.3	85	0	0	0	112.2	F33 E36 K40 F41 P67 L68 Q69 V73 Q74 K75	F33-W71 HydrophobicContact CD1-CH2 4.38Å; F33-W71 AromaticContact CD2-CH2 3.72Å; F33-W71 HydrophobicContact CD2-CH2 3.72Å; F33-W71 HydrophobicContact CD2-CZ2 4.2Å; F33-W71 HydrophobicContact CD2-CZ3 4.47Å; F33-W71 HydrophobicContact CE1-CH2 4.18Å; F33-W71 AromaticContact CE2-CH2 3.48Å; F33-W71 HydrophobicContact CE2-CH2 3.48Å; F33-W71 VanDerWaalsContact CE2-CH2 3.48Å; F33-W71 HydrophobicContact CE2-CZ2 4.33Å; F33-W71 AromaticContact CE2-CZ3 3.81Å; F33-W71 HydrophobicContact CE2-CZ3 3.81Å; F33-W71 HydrophobicContact CG-CH2 4.17Å; F33-W71 AromaticContact CZ-CH2 3.73Å; F33-W71 HydrophobicContact CZ-CH2 3.73Å; F33-W71 AromaticContact CZ-CZ3 3.94Å; F33-W71 HydrophobicContact CZ-CZ3 3.94Å; E36-W71 HydrophobicContact CB-CZ2 3.79Å; E36-W71 PolarHBondContact OE2-NE1 3.35Å; K40-W71 HydrophobicContact CB-CD2 4.28Å; K40-W71 HydrophobicContact CB-CE3 4.2Å; K40-W71 HydrophobicContact CD-CG 4.33Å; K40-W71 HydrophobicContact CG-CD2 3.89Å; K40-W71 HydrophobicContact CG-CE3 4.32Å; K40-W71 HydrophobicContact CG-CG 4Å; F41-W71 HydrophobicContact CD2-CZ3 4.5Å; F41-W71 AromaticContact CE2-CZ3 3.92Å; F41-W71 HydrophobicContact CE2-CZ3 3.92Å; P67-W71 PolarHBondContact O-N 3.49Å; L68-W71 HydrophobicContact CD1-CE3 4Å; L68-W71 HydrophobicContact CD1-CZ3 4.37Å; L68-W71 PolarHBondContact O-N 3.46Å; Q69-W71 VanDerWaalsContact C-N 3.34Å; Q69-W71 PolarHBondContact O-N 2.85Å; W71-V73 PolarHBondContact O-N 2.99Å; W71-Q74 WeakPolarHBondContact O-CB 3.13Å; W71-Q74 PolarHBondContact O-N 3.45Å; W71-K75 HydrophobicContact CD2-CG 4.08Å; W71-K75 HydrophobicContact CE3-CG 4.49Å; W71-K75 HydrophobicContact CH2-CG 4.21Å; W71-K75 HydrophobicContact CZ2-CD 4.25Å; W71-K75 HydrophobicContact CZ2-CG 3.76Å; W71-K75 WeakPolarHBondContact O-CG 3.42Å; W71-K75 PolarHBondContact O-N 2.85Å
72	M	95.8	Very high	94.6	Very high	3 Å²	3	41 Å²	41	2%	0.015	22%	0.224	C	C	.	.	H	α-helix	trans	-60.5	-44.5	176	-77.9	-62.1	-62.2	0	0	111.8	F33 F41 L68 Q69 Q74 K75 V76 K100 A101	F33-M72 HydrophobicContact CE2-SD 4.1Å; F33-M72 HydrophobicContact CZ-CE 4.36Å; F33-M72 HydrophobicContact CZ-SD 3.96Å; F41-M72 HydrophobicContact CE2-SD 4.05Å; F41-M72 HydrophobicContact CZ-CE 4.49Å; F41-M72 HydrophobicContact CZ-SD 3.71Å; L68-M72 HydrophobicContact CD1-CG 4.1Å; L68-M72 HydrophobicContact CG-CG 4.29Å; L68-M72 WeakPolarHBondContact O-CB 3.44Å; L68-M72 WeakPolarHBondContact O-CG 3.07Å; L68-M72 PolarHBondContact O-N 3.05Å; Q69-M72 PolarHBondContact O-N 2.8Å; M72-Q74 VanDerWaalsContact C-N 3.33Å; M72-Q74 PolarHBondContact O-N 3.23Å; M72-K75 PolarHBondContact O-N 3.42Å; M72-V76 WeakPolarHBondContact O-CB 3.4Å; M72-V76 WeakPolarHBondContact O-CG2 3.44Å; M72-V76 PolarHBondContact O-N 3.42Å; M72-K100 HydrophobicContact CE-CB 3.58Å; M72-A101 HydrophobicContact CB-CB 3.97Å; M72-A101 HydrophobicContact CE-CB 4.06Å
73	V	94.9	Very high	94.1	Very high	20 Å²	20	41.1 Å²	41.1	12%	0.121	23%	0.23	C	C	.	.	H	α-helix	trans	-60.4	-43	175.8	169.7	0	0	0	0	111.2	Q69 G70 W71 V76 N77 M102 V103	Q69-V73 WeakPolarHBondContact O-CG2 3.36Å; Q69-V73 PolarHBondContact O-N 3.46Å; G70-V73 PolarHBondContact O-N 2.82Å; W71-V73 PolarHBondContact O-N 2.99Å; V73-V76 PolarHBondContact O-N 3.35Å; V73-N77 WeakPolarHBondContact O-CB 3.4Å; V73-N77 PolarHBondContact O-N 3.3Å; V73-N77 PolarHBondContact O-ND2 2.92Å; V73-M102 WeakPolarHBondContact CG2-O 3.4Å; V73-V103 HydrophobicContact CG1-CG1 4.14Å; V73-V103 HydrophobicContact CG1-CG2 4.45Å
74	Q	95.4	Very high	93.5	Very high	120 Å²	120	49.2 Å²	49.2	56%	0.561	26%	0.264	S	S	*	.	H	α-helix	trans	-59.4	-50	175.8	-178.9	-175.2	-5	0	0	111.4	G70 W71 M72 V76 N77 E78	G70-Q74 PolarHBondContact O-N 2.9Å; W71-Q74 WeakPolarHBondContact O-CB 3.13Å; W71-Q74 PolarHBondContact O-N 3.45Å; M72-Q74 VanDerWaalsContact C-N 3.33Å; M72-Q74 PolarHBondContact O-N 3.23Å; Q74-V76 PolarHBondContact O-N 3.28Å; Q74-N77 PolarHBondContact O-N 3.32Å; Q74-E78 PolarHBondContact O-N 3.24Å
75	K	96.3	Very high	93.1	Very high	10 Å²	10	48.6 Å²	48.6	4%	0.043	26%	0.261	C	S	.	.	H	α-helix	trans	-65.7	-37.2	-179.7	-65.8	-62.1	-179.3	178.5	0	112.4	F29 F33 E36 W71 M72 E78 S79	F29-K75 HydrophobicContact CE2-CD 4.23Å; F29-K75 HydrophobicContact CZ-CB 4.45Å; F29-K75 WeakPolarHBondContact CZ-O 3.41Å; F33-K75 HydrophobicContact CD2-CB 3.79Å; F33-K75 HydrophobicContact CD2-CD 4.28Å; F33-K75 HydrophobicContact CD2-CG 3.84Å; F33-K75 HydrophobicContact CE2-CB 3.87Å; F33-K75 HydrophobicContact CE2-CG 4.14Å; E36-K75 IonicContact OE1-NZ 2.81Å; E36-K75 PolarHBondContact OE1-NZ 2.96Å; E36-K75 WeakPolarHBondContact OE2-CE 3.46Å; E36-K75 IonicContact OE2-NZ 3.72Å; E36-K75 PolarHBondContact OE2-NZ 3.15Å; W71-K75 HydrophobicContact CD2-CG 4.08Å; W71-K75 HydrophobicContact CE3-CG 4.49Å; W71-K75 HydrophobicContact CH2-CG 4.21Å; W71-K75 HydrophobicContact CZ2-CD 4.25Å; W71-K75 HydrophobicContact CZ2-CG 3.76Å; W71-K75 WeakPolarHBondContact O-CG 3.42Å; W71-K75 PolarHBondContact O-N 2.85Å; M72-K75 PolarHBondContact O-N 3.42Å; K75-E78 PolarHBondContact O-N 3.34Å; K75-S79 WeakPolarHBondContact O-CB 3.45Å; K75-S79 PolarHBondContact O-N 3.05Å
76	V	94.4	Very high	92.7	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-63.7	-47.2	174	165.9	0	0	0	0	111.1	M72 V73 Q74 E78 S79 L80 I97 R98 A101 V103 M195	M72-V76 WeakPolarHBondContact O-CB 3.4Å; M72-V76 WeakPolarHBondContact O-CG2 3.44Å; M72-V76 PolarHBondContact O-N 3.42Å; V73-V76 PolarHBondContact O-N 3.35Å; Q74-V76 PolarHBondContact O-N 3.28Å; V76-E78 VanDerWaalsContact C-N 3.34Å; V76-E78 PolarHBondContact O-N 3.06Å; V76-S79 WeakPolarHBondContact O-CB 3.27Å; V76-S79 PolarHBondContact O-N 3.34Å; V76-S79 VanDerWaalsContact O-N 3.1Å; V76-S79 PolarHBondContact O-OG 2.86Å; V76-L80 WeakPolarHBondContact O-CG 3.5Å; V76-L80 PolarHBondContact O-N 2.51Å; V76-I97 HydrophobicContact CG2-CG2 4.28Å; V76-R98 HydrophobicContact CG1-CG 4.45Å; V76-A101 HydrophobicContact CG2-CB 3.77Å; V76-V103 HydrophobicContact CG1-CG2 3.92Å; V76-M195 HydrophobicContact CG1-CE 3.58Å; V76-M195 HydrophobicContact CG1-SD 3.84Å
77	N	93.4	Very high	92.5	Very high	76 Å²	76	53 Å²	53	41%	0.406	29%	0.289	S	S	.	.	H	α-helix	trans	-60.8	-42.7	177	-75.8	-24.1	0	0	0	112.2	V73 Q74 S79 L80	V73-N77 WeakPolarHBondContact O-CB 3.4Å; V73-N77 PolarHBondContact O-N 3.3Å; V73-N77 PolarHBondContact O-ND2 2.92Å; Q74-N77 PolarHBondContact O-N 3.32Å; N77-S79 VanDerWaalsContact C-N 3.28Å; N77-S79 PolarHBondContact O-N 3.44Å; N77-L80 WeakPolarHBondContact O-CB 3.24Å; N77-L80 PolarHBondContact O-N 3.18Å
78	E	94.6	Very high	92.2	Very high	64 Å²	64	55.9 Å²	55.9	30%	0.299	30%	0.298	S	S	.	.	H	α-helix	trans	-59.4	-41.4	174.1	-178.1	176.4	-175.9	0	0	111.4	F29 Q74 K75 V76 L80 K81	F29-E78 HydrophobicContact CD2-CG 3.88Å; F29-E78 HydrophobicContact CE2-CB 4.02Å; F29-E78 HydrophobicContact CE2-CG 3.87Å; Q74-E78 PolarHBondContact O-N 3.24Å; K75-E78 PolarHBondContact O-N 3.34Å; V76-E78 VanDerWaalsContact C-N 3.34Å; V76-E78 PolarHBondContact O-N 3.06Å; E78-L80 PolarHBondContact O-N 2.86Å; E78-K81 WeakPolarHBondContact O-CD 3.13Å; E78-K81 VanDerWaalsContact O-CG 3.29Å; E78-K81 WeakPolarHBondContact O-CG 3.48Å; E78-K81 IonicContact OE1-NZ 2.66Å; E78-K81 PolarHBondContact OE1-NZ 3.36Å
79	S	93.7	Very high	91.8	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-63.1	-25.5	-179.2	83.7	0	0	0	0	113.3	K75 V76 N77 K81 Y82 R98	K75-S79 WeakPolarHBondContact O-CB 3.45Å; K75-S79 PolarHBondContact O-N 3.05Å; V76-S79 WeakPolarHBondContact O-CB 3.27Å; V76-S79 PolarHBondContact O-N 3.34Å; V76-S79 VanDerWaalsContact O-N 3.1Å; V76-S79 PolarHBondContact O-OG 2.86Å; N77-S79 VanDerWaalsContact C-N 3.28Å; N77-S79 PolarHBondContact O-N 3.44Å; S79-K81 PolarHBondContact O-N 3.42Å; S79-Y82 VanDerWaalsContact O-CD2 3.3Å; S79-Y82 WeakPolarHBondContact O-CD2 3.14Å; S79-Y82 PolarHBondContact O-N 3.02Å; S79-Y82 VanDerWaalsContact O-N 3.14Å; S79-R98 PolarHBondContact O-NH2 3.38Å; S79-R98 WeakPolarHBondContact OG-CG 3.32Å; S79-R98 PolarHBondContact OG-NE 3.06Å
80	L	91	Very high	91.8	Very high	99 Å²	99	58.4 Å²	58.4	52%	0.518	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-61.5	-28.8	-173.9	-66.3	177.2	0	0	0	112.8	V76 N77 E78 Y82 G83	V76-L80 WeakPolarHBondContact O-CG 3.5Å; V76-L80 PolarHBondContact O-N 2.51Å; N77-L80 WeakPolarHBondContact O-CB 3.24Å; N77-L80 PolarHBondContact O-N 3.18Å; E78-L80 PolarHBondContact O-N 2.86Å; L80-Y82 PolarHBondContact O-N 3.44Å; L80-G83 PolarHBondContact O-N 3.34Å
81	K	90.2	Very high	91.7	Very high	120 Å²	120	56.8 Å²	56.8	52%	0.522	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-62.7	-22.1	178.9	76.2	-164.5	175.1	-176.2	0	113.4	E78 S79	E78-K81 WeakPolarHBondContact O-CD 3.13Å; E78-K81 VanDerWaalsContact O-CG 3.29Å; E78-K81 WeakPolarHBondContact O-CG 3.48Å; E78-K81 IonicContact OE1-NZ 2.66Å; E78-K81 PolarHBondContact OE1-NZ 3.36Å; S79-K81 PolarHBondContact O-N 3.42Å
82	Y	89.9	Confident	91.3	Very high	13 Å²	13	57.4 Å²	57.4	5%	0.051	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-84.9	-5.9	-177.8	-55.1	-61.9	0	0	0	114.2	F20 D25 V26 F29 S79 L80 K84 I94	F20-Y82 AromaticContact CE2-CD1 3.99Å; F20-Y82 HydrophobicContact CE2-CD1 3.99Å; F20-Y82 HydrophobicContact CE2-CE1 4.02Å; F20-Y82 AromaticContact CZ-CD1 3.87Å; F20-Y82 HydrophobicContact CZ-CD1 3.87Å; F20-Y82 HydrophobicContact CZ-CE1 4.34Å; D25-Y82 HydrophobicContact CB-CE1 3.91Å; D25-Y82 PolarHBondContact O-OH 3.39Å; D25-Y82 VanDerWaalsContact O-OH 3.05Å; V26-Y82 HydrophobicContact CG2-CD1 3.35Å; V26-Y82 HydrophobicContact CG2-CD2 4.33Å; V26-Y82 HydrophobicContact CG2-CE1 3.82Å; V26-Y82 HydrophobicContact CG2-CG 3.64Å; F29-Y82 HydrophobicContact CB-CE2 3.82Å; F29-Y82 VanDerWaalsContact CB-OH 3.3Å; F29-Y82 WeakPolarHBondContact CB-OH 3.39Å; F29-Y82 AromaticContact CD1-CE2 3.99Å; F29-Y82 HydrophobicContact CD1-CE2 3.99Å; F29-Y82 HydrophobicContact CD2-CE2 4.1Å; F29-Y82 AromaticContact CG-CE2 3.69Å; F29-Y82 HydrophobicContact CG-CE2 3.69Å; S79-Y82 VanDerWaalsContact O-CD2 3.3Å; S79-Y82 WeakPolarHBondContact O-CD2 3.14Å; S79-Y82 PolarHBondContact O-N 3.02Å; S79-Y82 VanDerWaalsContact O-N 3.14Å; L80-Y82 PolarHBondContact O-N 3.44Å; Y82-K84 PolarHBondContact O-N 3.12Å; Y82-I94 HydrophobicContact CD2-CD1 4.18Å
83	G	86.4	Confident	91.2	Very high	40 Å²	40	57.3 Å²	57.3	41%	0.412	30%	0.297	S	S	.	.			trans	55.6	-123.8	-178.1	0	0	0	0	0	112.3	L80 R98	L80-G83 PolarHBondContact O-N 3.34Å; G83-R98 PolarHBondContact O-NH1 3.26Å; G83-R98 PolarHBondContact O-NH2 2.97Å
84	K	85.7	Confident	91	Very high	182 Å²	182	56.4 Å²	56.4	79%	0.791	29%	0.291	S	S	*	.	S	Bend	trans	-111.7	108	167.4	-178.5	-177.8	178.6	-177.4	0	107.7	Y82 A91	Y82-K84 PolarHBondContact O-N 3.12Å; K84-A91 HydrophobicContact CG-CB 4.4Å
85	P	88.6	Confident	90.8	Very high	8 Å²	8	52.8 Å²	52.8	5%	0.052	27%	0.273	C	S	.	.			trans	-53.1	149.7	176.4	-26.8	33.5	0	0	0	112.8	E22 V26 D90 A91 I94	E22-P85 WeakPolarHBondContact OE1-CA 3.05Å; V26-P85 HydrophobicContact CG1-CG 4.36Å; V26-P85 HydrophobicContact CG2-CG 4.3Å; P85-D90 HydrophobicContact CB-CB 3.96Å; P85-D90 HydrophobicContact CG-CB 4.42Å; P85-A91 HydrophobicContact CB-CB 4.38Å; P85-I94 HydrophobicContact CG-CB 4.46Å; P85-I94 HydrophobicContact CG-CG1 3.94Å
86	T	88.8	Confident	90.5	Very high	123 Å²	123	53.4 Å²	53.4	76%	0.755	28%	0.276	S	S	*	.	S	Bend	trans	-69.1	-37.4	176	47.6	0	0	0	0	113.6	E22	E22-T86 PolarHBondContact OE1-N 2.99Å; E22-T86 VanDerWaalsContact OE1-N 3.14Å
87	D	91.4	Very high	90.4	Very high	71 Å²	71	53.4 Å²	53.4	38%	0.38	28%	0.276	S	S	.	.	S	Bend	trans	-72.6	133.9	173.6	179.6	-85	0	0	0	111	N89 D90 A91	D87-N89 WeakPolarHBondContact OD1-CA 3.26Å; D87-N89 WeakPolarHBondContact OD1-CB 2.9Å; D87-N89 PolarHBondContact OD1-N 3.02Å; D87-D90 HydrophobicContact CB-CB 3.99Å; D87-D90 PolarHBondContact OD1-N 3.29Å; D87-A91 VanDerWaalsContact O-CB 3.31Å; D87-A91 WeakPolarHBondContact O-CB 3.33Å; D87-A91 PolarHBondContact O-N 2.97Å
88	E	87.7	Confident	90.3	Very high	119 Å²	119	52.3 Å²	52.3	56%	0.556	27%	0.267	S	S	*	.	H	α-helix	trans	-68.4	-37.7	-173.5	-160.5	-168.6	140	0	0	112.3	A91 K92	E88-A91 PolarHBondContact O-N 3.16Å; E88-K92 VanDerWaalsContact O-CG 3.31Å; E88-K92 WeakPolarHBondContact O-CG 3.34Å; E88-K92 PolarHBondContact O-N 2.84Å; E88-K92 WeakPolarHBondContact OE1-CE 3.17Å; E88-K92 IonicContact OE1-NZ 2.73Å; E88-K92 PolarHBondContact OE1-NZ 3.1Å
89	N	88.1	Confident	90.1	Very high	74 Å²	74	50.6 Å²	50.6	40%	0.396	26%	0.261	S	S	.	.	H	α-helix	trans	-73.5	-41.3	-179.8	-71.3	-23.7	0	0	0	110.8	D87 A91 K92 A93	D87-N89 WeakPolarHBondContact OD1-CA 3.26Å; D87-N89 WeakPolarHBondContact OD1-CB 2.9Å; D87-N89 PolarHBondContact OD1-N 3.02Å; N89-A91 VanDerWaalsContact C-N 3.29Å; N89-A91 PolarHBondContact O-N 3.36Å; N89-K92 PolarHBondContact O-N 3.14Å; N89-A93 WeakPolarHBondContact O-CB 3.45Å; N89-A93 PolarHBondContact O-N 3.19Å
90	D	92	Very high	89.7	Confident	19 Å²	19	53.5 Å²	53.5	10%	0.102	27%	0.274	C	S	.	.	H	α-helix	trans	-61.2	-40.8	172.9	-71.6	-18	0	0	0	110.7	V26 L30 P85 D87 K92 A93 I94	V26-D90 HydrophobicContact CG1-CB 3.81Å; L30-D90 HydrophobicContact CD1-CB 4.34Å; L30-D90 WeakPolarHBondContact CD1-OD1 3.42Å; P85-D90 HydrophobicContact CB-CB 3.96Å; P85-D90 HydrophobicContact CG-CB 4.42Å; D87-D90 HydrophobicContact CB-CB 3.99Å; D87-D90 PolarHBondContact OD1-N 3.29Å; D90-K92 PolarHBondContact O-N 3.37Å; D90-A93 PolarHBondContact O-N 3.39Å; D90-I94 WeakPolarHBondContact O-CB 3.46Å; D90-I94 VanDerWaalsContact O-CG1 3.29Å; D90-I94 WeakPolarHBondContact O-CG1 3.25Å; D90-I94 PolarHBondContact O-N 3.48Å
91	A	90.4	Very high	89.6	Confident	17 Å²	17	48.9 Å²	48.9	14%	0.14	25%	0.25	C	C	.	.	H	α-helix	trans	-62.9	-42	175.2	0	0	0	0	0	112.5	K84 P85 D87 E88 N89 R95	K84-A91 HydrophobicContact CG-CB 4.4Å; P85-A91 HydrophobicContact CB-CB 4.38Å; D87-A91 VanDerWaalsContact O-CB 3.31Å; D87-A91 WeakPolarHBondContact O-CB 3.33Å; D87-A91 PolarHBondContact O-N 2.97Å; E88-A91 PolarHBondContact O-N 3.16Å; N89-A91 VanDerWaalsContact C-N 3.29Å; N89-A91 PolarHBondContact O-N 3.36Å; A91-R95 WeakPolarHBondContact O-CB 3.39Å; A91-R95 PolarHBondContact O-N 3.19Å
92	K	89.4	Confident	89.7	Confident	27 Å²	27	43.3 Å²	43.3	12%	0.117	23%	0.226	C	C	.	.	H	α-helix	trans	-63.9	-43.6	174.2	-71.5	172.5	-168.9	169	0	111.6	E88 N89 D90 R95 N96 D211 F385	E88-K92 VanDerWaalsContact O-CG 3.31Å; E88-K92 WeakPolarHBondContact O-CG 3.34Å; E88-K92 PolarHBondContact O-N 2.84Å; E88-K92 WeakPolarHBondContact OE1-CE 3.17Å; E88-K92 IonicContact OE1-NZ 2.73Å; E88-K92 PolarHBondContact OE1-NZ 3.1Å; N89-K92 PolarHBondContact O-N 3.14Å; D90-K92 PolarHBondContact O-N 3.37Å; K92-R95 WeakPolarHBondContact O-CB 3.42Å; K92-R95 PolarHBondContact O-N 3.09Å; K92-N96 PolarHBondContact O-N 3.46Å; K92-N96 PolarHBondContact O-OD1 2.82Å; K92-D211 WeakPolarHBondContact CE-OD2 2.97Å; K92-D211 IonicContact NZ-OD2 2.83Å; K92-F385 HydrophobicContact CB-CE1 4.05Å; K92-F385 HydrophobicContact CB-CZ 4.17Å
93	A	92.1	Very high	89.9	Confident	1 Å²	1	44.6 Å²	44.6	1%	0.008	24%	0.235	C	C	.	.	H	α-helix	trans	-60.9	-50.1	178.5	0	0	0	0	0	111.6	L30 N89 D90 R95 N96 I97 Y384 F385	L30-A93 HydrophobicContact CD1-CB 3.79Å; L30-A93 HydrophobicContact CD2-CB 3.68Å; L30-A93 HydrophobicContact CG-CB 4.4Å; N89-A93 WeakPolarHBondContact O-CB 3.45Å; N89-A93 PolarHBondContact O-N 3.19Å; D90-A93 PolarHBondContact O-N 3.39Å; A93-R95 VanDerWaalsContact C-N 3.31Å; A93-R95 PolarHBondContact O-N 3.19Å; A93-N96 PolarHBondContact O-N 3.44Å; A93-I97 WeakPolarHBondContact O-CG1 3.47Å; A93-I97 PolarHBondContact O-N 3.36Å; A93-Y384 HydrophobicContact CB-CD2 3.53Å; A93-Y384 HydrophobicContact CB-CE2 3.39Å; A93-Y384 HydrophobicContact CB-CG 4.3Å; A93-F385 HydrophobicContact CB-CE1 4.36Å; A93-F385 HydrophobicContact CB-CE2 4.39Å; A93-F385 HydrophobicContact CB-CZ 3.81Å
94	I	92.5	Very high	90.2	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-60.4	-41.2	176.4	-67.6	-63.9	0	0	0	111.2	V26 F29 L30 Y82 P85 D90 I97 R98	V26-I94 HydrophobicContact CG1-CD1 4.49Å; V26-I94 HydrophobicContact CG1-CG1 4.35Å; F29-I94 HydrophobicContact CD1-CD1 3.64Å; F29-I94 HydrophobicContact CE1-CD1 3.52Å; L30-I94 HydrophobicContact CD2-CD1 3.91Å; L30-I94 HydrophobicContact CD2-CG1 4.4Å; Y82-I94 HydrophobicContact CD2-CD1 4.18Å; P85-I94 HydrophobicContact CG-CB 4.46Å; P85-I94 HydrophobicContact CG-CG1 3.94Å; D90-I94 WeakPolarHBondContact O-CB 3.46Å; D90-I94 VanDerWaalsContact O-CG1 3.29Å; D90-I94 WeakPolarHBondContact O-CG1 3.25Å; D90-I94 PolarHBondContact O-N 3.48Å; I94-I97 PolarHBondContact O-N 3.46Å; I94-R98 VanDerWaalsContact O-CG 3.28Å; I94-R98 WeakPolarHBondContact O-CG 3.39Å; I94-R98 PolarHBondContact O-N 3.43Å
95	R	90.4	Very high	90.5	Very high	45 Å²	45	41.7 Å²	41.7	17%	0.17	21%	0.214	C	C	.	.	H	α-helix	trans	-60.2	-49	174.9	-178.4	-174	64.7	-162.6	-5.4	111.5	A91 K92 A93 I97 R98 S99 D211	A91-R95 WeakPolarHBondContact O-CB 3.39Å; A91-R95 PolarHBondContact O-N 3.19Å; K92-R95 WeakPolarHBondContact O-CB 3.42Å; K92-R95 PolarHBondContact O-N 3.09Å; A93-R95 VanDerWaalsContact C-N 3.31Å; A93-R95 PolarHBondContact O-N 3.19Å; R95-I97 VanDerWaalsContact C-N 3.31Å; R95-I97 PolarHBondContact O-N 2.99Å; R95-R98 PolarHBondContact O-N 2.83Å; R95-R98 VanDerWaalsContact O-N 3.17Å; R95-S99 PolarHBondContact O-N 3.15Å; R95-S99 PolarHBondContact O-OG 3.29Å; R95-D211 IonicContact CZ-OD1 3.25Å; R95-D211 IonicContact NH1-OD1 2.95Å; R95-D211 PolarHBondContact NH1-OD1 3.07Å; R95-D211 IonicContact NH1-OD2 3.34Å; R95-D211 IonicContact NH2-OD1 2.68Å; R95-D211 IonicContact NH2-OD2 3.85Å
96	N	90.3	Very high	90.8	Very high	23 Å²	23	47.8 Å²	47.8	12%	0.123	24%	0.242	C	C	.	.	H	α-helix	trans	-64.4	-35.8	-179	-71.8	7.1	0	0	0	112.2	K92 A93 S99 K100 Y384 F385 G562	K92-N96 PolarHBondContact O-N 3.46Å; K92-N96 PolarHBondContact O-OD1 2.82Å; A93-N96 PolarHBondContact O-N 3.44Å; N96-S99 PolarHBondContact O-OG 3.48Å; N96-S99 VanDerWaalsContact O-OG 3.12Å; N96-K100 VanDerWaalsContact O-CG 3.29Å; N96-K100 WeakPolarHBondContact O-CG 3.32Å; N96-K100 PolarHBondContact O-N 3.29Å; N96-Y384 VanDerWaalsContact CB-O 3.27Å; N96-Y384 WeakPolarHBondContact CB-O 3.29Å; N96-Y384 PolarHBondContact ND2-O 3.36Å; N96-F385 VanDerWaalsContact ND2-CD1 3.32Å; N96-F385 WeakPolarHBondContact ND2-CD1 3.48Å; N96-G562 PolarHBondContact ND2-O 3.18Å; N96-G562 VanDerWaalsContact ND2-O 3.16Å
97	I	92.5	Very high	91.1	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-62.5	-48.2	172.7	-69.3	168.5	0	0	0	110.3	F29 L30 F33 V76 A93 I94 R95 S99 K100 Y384	F29-I97 HydrophobicContact CE1-CD1 3.78Å; F29-I97 HydrophobicContact CZ-CD1 4.41Å; L30-I97 HydrophobicContact CD2-CD1 3.61Å; F33-I97 HydrophobicContact CB-CD1 4.3Å; F33-I97 HydrophobicContact CD1-CD1 3.92Å; F33-I97 HydrophobicContact CD1-CG1 4.13Å; F33-I97 HydrophobicContact CD2-CD1 3.92Å; F33-I97 HydrophobicContact CD2-CG1 4.22Å; F33-I97 HydrophobicContact CD2-CG2 4.06Å; F33-I97 HydrophobicContact CE1-CD1 4.23Å; F33-I97 HydrophobicContact CE1-CG1 3.91Å; F33-I97 HydrophobicContact CE2-CB 4.41Å; F33-I97 HydrophobicContact CE2-CD1 4.24Å; F33-I97 HydrophobicContact CE2-CG1 4.02Å; F33-I97 HydrophobicContact CE2-CG2 3.6Å; F33-I97 HydrophobicContact CG-CD1 3.76Å; F33-I97 HydrophobicContact CG-CG1 4.29Å; F33-I97 HydrophobicContact CZ-CB 4.48Å; F33-I97 HydrophobicContact CZ-CD1 4.38Å; F33-I97 HydrophobicContact CZ-CG1 3.85Å; F33-I97 HydrophobicContact CZ-CG2 4.09Å; V76-I97 HydrophobicContact CG2-CG2 4.28Å; A93-I97 WeakPolarHBondContact O-CG1 3.47Å; A93-I97 PolarHBondContact O-N 3.36Å; I94-I97 PolarHBondContact O-N 3.46Å; R95-I97 VanDerWaalsContact C-N 3.31Å; R95-I97 PolarHBondContact O-N 2.99Å; I97-S99 PolarHBondContact O-N 2.95Å; I97-K100 PolarHBondContact O-N 3.3Å; I97-Y384 HydrophobicContact CD1-CD1 4.1Å; I97-Y384 HydrophobicContact CD1-CG 4.32Å; I97-Y384 HydrophobicContact CG1-CD1 4.45Å; I97-Y384 HydrophobicContact CG1-CG 4.29Å
98	R	91.5	Very high	91.3	Very high	53 Å²	53	47.9 Å²	47.9	20%	0.2	23%	0.23	C	C	.	.	H	α-helix	trans	-64.7	-38.7	-179.2	-70.2	173.9	-178.3	166.3	4.4	112.4	V76 S79 G83 I94 R95 K100 A101 M195	V76-R98 HydrophobicContact CG1-CG 4.45Å; S79-R98 PolarHBondContact O-NH2 3.38Å; S79-R98 WeakPolarHBondContact OG-CG 3.32Å; S79-R98 PolarHBondContact OG-NE 3.06Å; G83-R98 PolarHBondContact O-NH1 3.26Å; G83-R98 PolarHBondContact O-NH2 2.97Å; I94-R98 VanDerWaalsContact O-CG 3.28Å; I94-R98 WeakPolarHBondContact O-CG 3.39Å; I94-R98 PolarHBondContact O-N 3.43Å; R95-R98 PolarHBondContact O-N 2.83Å; R95-R98 VanDerWaalsContact O-N 3.17Å; R98-K100 VanDerWaalsContact C-N 3.26Å; R98-K100 PolarHBondContact O-N 3.09Å; R98-A101 PolarHBondContact O-N 3.44Å; R98-M195 HydrophobicContact CB-CE 4.03Å
99	S	88.6	Confident	91.6	Very high	27 Å²	27	43.4 Å²	43.4	19%	0.189	21%	0.209	C	C	.	.	H	α-helix	trans	-70.2	-19.7	-179.4	70	0	0	0	0	113.6	R95 N96 I97 R203	R95-S99 PolarHBondContact O-N 3.15Å; R95-S99 PolarHBondContact O-OG 3.29Å; N96-S99 PolarHBondContact O-OG 3.48Å; N96-S99 VanDerWaalsContact O-OG 3.12Å; I97-S99 PolarHBondContact O-N 2.95Å; S99-R203 PolarHBondContact O-NH2 3.16Å
100	K	87	Confident	92	Very high	62 Å²	62	43.5 Å²	43.5	27%	0.27	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-10.4	179.4	-74.5	179.6	-176.7	-157.9	0	114.9	M72 N96 I97 R98 V383	M72-K100 HydrophobicContact CE-CB 3.58Å; N96-K100 VanDerWaalsContact O-CG 3.29Å; N96-K100 WeakPolarHBondContact O-CG 3.32Å; N96-K100 PolarHBondContact O-N 3.29Å; I97-K100 PolarHBondContact O-N 3.3Å; R98-K100 VanDerWaalsContact C-N 3.26Å; R98-K100 PolarHBondContact O-N 3.09Å; K100-V383 PolarHBondContact NZ-O 2.9Å
101	A	89	Confident	92.3	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.008	21%	0.21	C	C	.	.			trans	-128	158.8	-177	0	0	0	0	0	113.9	M72 V76 R98 R203	M72-A101 HydrophobicContact CB-CB 3.97Å; M72-A101 HydrophobicContact CE-CB 4.06Å; V76-A101 HydrophobicContact CG2-CB 3.77Å; R98-A101 PolarHBondContact O-N 3.44Å; A101-R203 VanDerWaalsContact C-NH2 3.26Å; A101-R203 VanDerWaalsContact O-CZ 3.28Å; A101-R203 PolarHBondContact O-NH1 3.08Å; A101-R203 PolarHBondContact O-NH2 3.05Å
102	M	92.4	Very high	92.6	Very high	4 Å²	4	44 Å²	44	2%	0.02	20%	0.204	C	C	.	.			trans	-113.8	136	163.6	-65.6	-175.9	-65.2	0	0	108.3	V73 L104 W109 L112 Y188 G191 R203	V73-M102 WeakPolarHBondContact CG2-O 3.4Å; M102-L104 HydrophobicContact CB-CG 4.37Å; M102-L104 HydrophobicContact CE-CD1 4.36Å; M102-L104 PolarHBondContact O-N 3.07Å; M102-L104 VanDerWaalsContact O-N 3.14Å; M102-W109 HydrophobicContact CB-CH2 3.93Å; M102-W109 HydrophobicContact CB-CZ2 3.55Å; M102-W109 HydrophobicContact CE-CH2 3.31Å; M102-W109 HydrophobicContact CE-CZ2 4.1Å; M102-W109 HydrophobicContact CE-CZ3 3.7Å; M102-W109 HydrophobicContact CG-CH2 4.39Å; M102-W109 HydrophobicContact CG-CZ2 4.45Å; M102-W109 WeakPolarHBondContact O-CZ2 3.43Å; M102-W109 PolarHBondContact O-NE1 3.25Å; M102-L112 HydrophobicContact CE-CD2 3.54Å; M102-Y188 HydrophobicContact CE-CD1 3.5Å; M102-Y188 VanDerWaalsContact CE-CD1 3.5Å; M102-Y188 HydrophobicContact CE-CE1 3.63Å; M102-Y188 HydrophobicContact CE-CG 4.34Å; M102-Y188 HydrophobicContact SD-CD1 3.79Å; M102-Y188 HydrophobicContact SD-CE1 4.36Å; M102-G191 VanDerWaalsContact CB-O 3.32Å; M102-G191 WeakPolarHBondContact CB-O 3.23Å; M102-G191 WeakPolarHBondContact CG-O 3.29Å; M102-G191 VanDerWaalsContact SD-C 3.56Å; M102-R203 VanDerWaalsContact CG-NH1 3.31Å
103	V	92.4	Very high	92.9	Very high	40 Å²	40	43.9 Å²	43.9	24%	0.242	20%	0.204	C	C	.	.			trans	-88.3	87	179.4	177.6	0	0	0	0	108.2	V73 V76 S194 M195	V73-V103 HydrophobicContact CG1-CG1 4.14Å; V73-V103 HydrophobicContact CG1-CG2 4.45Å; V76-V103 HydrophobicContact CG1-CG2 3.92Å; V103-S194 PolarHBondContact N-OG 3.05Å; V103-S194 WeakPolarHBondContact O-CB 3.42Å; V103-S194 PolarHBondContact O-OG 3.35Å; V103-M195 HydrophobicContact CB-SD 4.18Å; V103-M195 HydrophobicContact CG2-SD 3.42Å; V103-M195 WeakPolarHBondContact CG2-SD 3.24Å
104	L	93.3	Very high	93.2	Very high	19 Å²	19	47.3 Å²	47.3	10%	0.099	22%	0.222	C	C	.	.			trans	-112.6	156.3	174.5	-66	173	0	0	0	110	M102 D108 W109 L112 N190	M102-L104 HydrophobicContact CB-CG 4.37Å; M102-L104 HydrophobicContact CE-CD1 4.36Å; M102-L104 PolarHBondContact O-N 3.07Å; M102-L104 VanDerWaalsContact O-N 3.14Å; L104-D108 HydrophobicContact CB-CB 4.19Å; L104-W109 HydrophobicContact CB-CD2 4.23Å; L104-W109 HydrophobicContact CB-CG 3.97Å; L104-W109 HydrophobicContact CD1-CD2 4.06Å; L104-W109 HydrophobicContact CD1-CE3 4.3Å; L104-W109 HydrophobicContact CD1-CG 4.49Å; L104-W109 HydrophobicContact CD1-CZ2 4.49Å; L104-L112 HydrophobicContact CD1-CD2 4.12Å; L104-N190 HydrophobicContact CD2-CB 4.27Å
105	Q	93.3	Very high	93.5	Very high	142 Å²	142	47.3 Å²	47.3	66%	0.664	22%	0.222	S	C	*	.			trans	-65.4	154.3	170	-63.5	-169.3	-1.5	0	0	110.4	K107 D108 W109	Q105-K107 PolarHBondContact O-N 2.79Å; Q105-D108 PolarHBondContact O-N 3.15Å; Q105-W109 PolarHBondContact O-N 3.12Å
106	E	93.1	Very high	93.8	Very high	135 Å²	135	46.5 Å²	46.5	63%	0.631	22%	0.223	S	C	*	.	H	α-helix	trans	-55.3	-40.8	-178.5	-170.4	-169.9	153.6	0	0	112.4	D108 W109 K110	E106-D108 PolarHBondContact O-N 3.45Å; E106-W109 PolarHBondContact O-N 3.43Å; E106-K110 HydrophobicContact CG-CD 4.37Å; E106-K110 WeakPolarHBondContact O-CB 3.34Å; E106-K110 WeakPolarHBondContact O-CG 3.49Å; E106-K110 PolarHBondContact O-N 3.15Å; E106-K110 WeakPolarHBondContact OE1-CE 3.5Å; E106-K110 IonicContact OE1-NZ 3.67Å; E106-K110 PolarHBondContact OE1-NZ 3.15Å
107	K	95.7	Very high	94.1	Very high	150 Å²	150	46.1 Å²	46.1	65%	0.652	22%	0.221	S	C	*	.	H	α-helix	trans	-59	-47.9	176.4	-179.1	-171.6	170.4	-169.4	0	111.7	Q105 W109 K110 E111	Q105-K107 PolarHBondContact O-N 2.79Å; K107-W109 VanDerWaalsContact C-N 3.33Å; K107-K110 PolarHBondContact O-N 2.96Å; K107-E111 WeakPolarHBondContact O-CB 3.49Å; K107-E111 PolarHBondContact O-N 3.04Å
108	D	96.4	Very high	94.2	Very high	46 Å²	46	49.7 Å²	49.7	25%	0.246	24%	0.238	C	C	.	.	H	α-helix	trans	-68.1	-36.3	-178.3	-64.1	-19.1	0	0	0	111	L104 Q105 E106 E111 L112 L187	L104-D108 HydrophobicContact CB-CB 4.19Å; Q105-D108 PolarHBondContact O-N 3.15Å; E106-D108 PolarHBondContact O-N 3.45Å; D108-E111 PolarHBondContact O-N 3.27Å; D108-L112 VanDerWaalsContact O-CB 3.3Å; D108-L112 WeakPolarHBondContact O-CB 3.32Å; D108-L112 PolarHBondContact O-N 3.46Å; D108-L187 HydrophobicContact CB-CD2 3.87Å
109	W	94.2	Very high	94.4	Very high	26 Å²	26	47.4 Å²	47.4	10%	0.098	23%	0.229	C	C	.	.	H	α-helix	trans	-64.4	-44.5	173	-96.4	130.9	0	0	0	112.7	Q69 M102 L104 Q105 E106 K107 E111 L112 K113	Q69-W109 HydrophobicContact CB-CD2 4.29Å; Q69-W109 HydrophobicContact CB-CG 4.4Å; Q69-W109 HydrophobicContact CG-CD2 4.44Å; Q69-W109 HydrophobicContact CG-CE3 4.39Å; M102-W109 HydrophobicContact CB-CH2 3.93Å; M102-W109 HydrophobicContact CB-CZ2 3.55Å; M102-W109 HydrophobicContact CE-CH2 3.31Å; M102-W109 HydrophobicContact CE-CZ2 4.1Å; M102-W109 HydrophobicContact CE-CZ3 3.7Å; M102-W109 HydrophobicContact CG-CH2 4.39Å; M102-W109 HydrophobicContact CG-CZ2 4.45Å; M102-W109 WeakPolarHBondContact O-CZ2 3.43Å; M102-W109 PolarHBondContact O-NE1 3.25Å; L104-W109 HydrophobicContact CB-CD2 4.23Å; L104-W109 HydrophobicContact CB-CG 3.97Å; L104-W109 HydrophobicContact CD1-CD2 4.06Å; L104-W109 HydrophobicContact CD1-CE3 4.3Å; L104-W109 HydrophobicContact CD1-CG 4.49Å; L104-W109 HydrophobicContact CD1-CZ2 4.49Å; Q105-W109 PolarHBondContact O-N 3.12Å; E106-W109 PolarHBondContact O-N 3.43Å; K107-W109 VanDerWaalsContact C-N 3.33Å; W109-E111 VanDerWaalsContact C-N 3.34Å; W109-L112 HydrophobicContact CE3-CB 4.39Å; W109-L112 HydrophobicContact CE3-CD2 3.81Å; W109-L112 HydrophobicContact CE3-CG 4.44Å; W109-L112 HydrophobicContact CH2-CD2 4.4Å; W109-L112 HydrophobicContact CZ3-CD2 3.51Å; W109-L112 HydrophobicContact CZ3-CG 4.4Å; W109-L112 PolarHBondContact O-N 3.32Å; W109-K113 WeakPolarHBondContact O-CG 3.3Å; W109-K113 PolarHBondContact O-N 3.41Å
110	K	96.3	Very high	94.7	Very high	75 Å²	75	47.4 Å²	47.4	33%	0.326	23%	0.226	S	C	.	.	H	α-helix	trans	-63.1	-42.2	175.2	-79.1	176.7	167.1	167	0	111.2	I64 E106 K107 N114	I64-K110 HydrophobicContact CG2-CB 4.33Å; I64-K110 HydrophobicContact CG2-CG 4.23Å; E106-K110 HydrophobicContact CG-CD 4.37Å; E106-K110 WeakPolarHBondContact O-CB 3.34Å; E106-K110 WeakPolarHBondContact O-CG 3.49Å; E106-K110 PolarHBondContact O-N 3.15Å; E106-K110 WeakPolarHBondContact OE1-CE 3.5Å; E106-K110 IonicContact OE1-NZ 3.67Å; E106-K110 PolarHBondContact OE1-NZ 3.15Å; K107-K110 PolarHBondContact O-N 2.96Å; K110-N114 WeakPolarHBondContact O-CB 3.49Å; K110-N114 PolarHBondContact O-N 3.03Å
111	E	97.4	Very high	94.9	Very high	45 Å²	45	46.3 Å²	46.3	21%	0.21	22%	0.222	C	C	.	.	H	α-helix	trans	-61.4	-47.4	174.5	-173.5	172.5	170.1	0	0	111.1	K107 D108 W109 K113 N114 V115 R183 L187	K107-E111 WeakPolarHBondContact O-CB 3.49Å; K107-E111 PolarHBondContact O-N 3.04Å; D108-E111 PolarHBondContact O-N 3.27Å; W109-E111 VanDerWaalsContact C-N 3.34Å; E111-K113 PolarHBondContact O-N 3.31Å; E111-N114 WeakPolarHBondContact O-CB 3.09Å; E111-N114 PolarHBondContact O-N 3.31Å; E111-N114 VanDerWaalsContact O-N 3.14Å; E111-V115 HydrophobicContact CG-CG1 4.43Å; E111-V115 WeakPolarHBondContact O-CG2 3.31Å; E111-V115 PolarHBondContact O-N 3.45Å; E111-R183 IonicContact OE1-CZ 3.11Å; E111-R183 IonicContact OE1-NE 2.64Å; E111-R183 PolarHBondContact OE1-NE 3.35Å; E111-R183 IonicContact OE1-NH2 2.73Å; E111-R183 PolarHBondContact OE1-NH2 3.12Å; E111-L187 HydrophobicContact CB-CD1 4.13Å; E111-L187 HydrophobicContact CG-CD1 3.83Å
112	L	97.3	Very high	95.1	Very high	2 Å²	2	47 Å²	47	1%	0.01	23%	0.226	C	C	.	.	H	α-helix	trans	-58.1	-48.1	179.2	176.8	54.5	0	0	0	111.4	M102 L104 D108 W109 N114 V115 S116 M184 L187 Y188	M102-L112 HydrophobicContact CE-CD2 3.54Å; L104-L112 HydrophobicContact CD1-CD2 4.12Å; D108-L112 VanDerWaalsContact O-CB 3.3Å; D108-L112 WeakPolarHBondContact O-CB 3.32Å; D108-L112 PolarHBondContact O-N 3.46Å; W109-L112 HydrophobicContact CE3-CB 4.39Å; W109-L112 HydrophobicContact CE3-CD2 3.81Å; W109-L112 HydrophobicContact CE3-CG 4.44Å; W109-L112 HydrophobicContact CH2-CD2 4.4Å; W109-L112 HydrophobicContact CZ3-CD2 3.51Å; W109-L112 HydrophobicContact CZ3-CG 4.4Å; W109-L112 PolarHBondContact O-N 3.32Å; L112-N114 VanDerWaalsContact C-N 3.34Å; L112-N114 PolarHBondContact O-N 3.39Å; L112-V115 HydrophobicContact CD1-CG2 4.48Å; L112-V115 WeakPolarHBondContact O-CG2 3.49Å; L112-S116 VanDerWaalsContact O-CB 3.25Å; L112-S116 WeakPolarHBondContact O-CB 3.4Å; L112-S116 PolarHBondContact O-N 2.89Å; L112-S116 PolarHBondContact O-OG 3.35Å; L112-M184 HydrophobicContact CD1-CG 3.89Å; L112-L187 HydrophobicContact CB-CB 4.19Å; L112-L187 HydrophobicContact CB-CD1 4Å; L112-L187 HydrophobicContact CD1-CB 3.98Å; L112-L187 HydrophobicContact CD2-CB 4.45Å; L112-L187 HydrophobicContact CG-CB 4.44Å; L112-Y188 HydrophobicContact CD1-CD2 3.63Å; L112-Y188 HydrophobicContact CD1-CE2 3.64Å; L112-Y188 HydrophobicContact CD1-CG 4.41Å; L112-Y188 HydrophobicContact CD2-CD2 4.4Å; L112-Y188 HydrophobicContact CD2-CE2 4.35Å; L112-Y188 HydrophobicContact CG-CE2 4.41Å
113	K	96.4	Very high	95	Very high	25 Å²	25	47 Å²	47	11%	0.109	23%	0.226	C	C	.	.	H	α-helix	trans	-60.5	-43.8	175.8	-70.2	-179	-174.8	-178.9	0	111.6	V63 I64 S66 W109 E111 S116 L117	V63-K113 WeakPolarHBondContact O-CD 3.35Å; V63-K113 PolarHBondContact O-NZ 2.66Å; I64-K113 HydrophobicContact CG1-CB 4.05Å; I64-K113 WeakPolarHBondContact O-CD 3.32Å; I64-K113 PolarHBondContact O-NZ 2.91Å; S66-K113 PolarHBondContact O-NZ 3.01Å; S66-K113 VanDerWaalsContact O-NZ 3.08Å; W109-K113 WeakPolarHBondContact O-CG 3.3Å; W109-K113 PolarHBondContact O-N 3.41Å; E111-K113 PolarHBondContact O-N 3.31Å; K113-S116 PolarHBondContact O-N 3.28Å; K113-L117 WeakPolarHBondContact O-CB 3.35Å; K113-L117 VanDerWaalsContact O-CG 3.27Å; K113-L117 WeakPolarHBondContact O-CG 3.34Å; K113-L117 PolarHBondContact O-N 3.45Å
114	N	97.6	Very high	94.8	Very high	72 Å²	72	48.3 Å²	48.3	39%	0.385	23%	0.226	S	C	.	.	H	α-helix	trans	-61.1	-53.8	179.1	-175.3	77.4	0	0	0	111.6	I64 K110 E111 L112 S116 L117 E118	I64-N114 HydrophobicContact CD1-CB 4.07Å; K110-N114 WeakPolarHBondContact O-CB 3.49Å; K110-N114 PolarHBondContact O-N 3.03Å; E111-N114 WeakPolarHBondContact O-CB 3.09Å; E111-N114 PolarHBondContact O-N 3.31Å; E111-N114 VanDerWaalsContact O-N 3.14Å; L112-N114 VanDerWaalsContact C-N 3.34Å; L112-N114 PolarHBondContact O-N 3.39Å; N114-S116 VanDerWaalsContact C-N 3.28Å; N114-S116 PolarHBondContact O-N 3.11Å; N114-L117 PolarHBondContact O-N 2.88Å; N114-E118 WeakPolarHBondContact O-CG 3.45Å; N114-E118 PolarHBondContact O-N 3.39Å
115	V	97.7	Very high	94.7	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.012	23%	0.226	C	C	.	.	H	α-helix	trans	-64.6	-34	179.8	-60.7	0	0	0	0	112	E111 L112 E118 M119 N180 R183 M184 L187	E111-V115 HydrophobicContact CG-CG1 4.43Å; E111-V115 WeakPolarHBondContact O-CG2 3.31Å; E111-V115 PolarHBondContact O-N 3.45Å; L112-V115 HydrophobicContact CD1-CG2 4.48Å; L112-V115 WeakPolarHBondContact O-CG2 3.49Å; V115-E118 PolarHBondContact O-N 2.78Å; V115-M119 VanDerWaalsContact O-CG 3.32Å; V115-M119 WeakPolarHBondContact O-CG 3.31Å; V115-M119 PolarHBondContact O-N 3.23Å; V115-N180 HydrophobicContact CB-CB 4.32Å; V115-N180 HydrophobicContact CG1-CB 4.49Å; V115-R183 HydrophobicContact CG1-CB 4.39Å; V115-M184 HydrophobicContact CB-CB 4.49Å; V115-M184 HydrophobicContact CG2-CB 3.67Å; V115-M184 HydrophobicContact CG2-CG 4.19Å; V115-L187 HydrophobicContact CG2-CD1 4.47Å
116	S	97	Very high	94.6	Very high	27 Å²	27	44.9 Å²	44.9	19%	0.189	21%	0.211	C	C	.	.	H	α-helix	trans	-63.3	-42.7	174.9	-57	0	0	0	0	111.4	L112 K113 N114 M119 F120	L112-S116 VanDerWaalsContact O-CB 3.25Å; L112-S116 WeakPolarHBondContact O-CB 3.4Å; L112-S116 PolarHBondContact O-N 2.89Å; L112-S116 PolarHBondContact O-OG 3.35Å; K113-S116 PolarHBondContact O-N 3.28Å; N114-S116 VanDerWaalsContact C-N 3.28Å; N114-S116 PolarHBondContact O-N 3.11Å; S116-M119 PolarHBondContact O-N 3.2Å; S116-F120 WeakPolarHBondContact O-CB 3.49Å; S116-F120 PolarHBondContact O-N 3.16Å
117	L	96.9	Very high	94.6	Very high	15 Å²	15	38.6 Å²	38.6	8%	0.079	18%	0.181	C	C	.	.	H	α-helix	trans	-69.5	-32.3	176.9	-70.2	171.7	0	0	0	112.9	L51 F55 K60 V63 I64 K113 N114 F120	L51-L117 HydrophobicContact CD1-CD2 4.45Å; L51-L117 HydrophobicContact CD2-CD2 3.46Å; L51-L117 VanDerWaalsContact CD2-CD2 3.46Å; F55-L117 HydrophobicContact CE2-CD2 4.23Å; F55-L117 HydrophobicContact CZ-CD2 4.37Å; K60-L117 HydrophobicContact CB-CD1 4.01Å; K60-L117 HydrophobicContact CG-CD1 4.2Å; V63-L117 HydrophobicContact CG1-CD1 4.47Å; I64-L117 HydrophobicContact CD1-CD1 3.99Å; I64-L117 HydrophobicContact CG1-CD1 3.72Å; K113-L117 WeakPolarHBondContact O-CB 3.35Å; K113-L117 VanDerWaalsContact O-CG 3.27Å; K113-L117 WeakPolarHBondContact O-CG 3.34Å; K113-L117 PolarHBondContact O-N 3.45Å; N114-L117 PolarHBondContact O-N 2.88Å; L117-F120 PolarHBondContact O-N 3.06Å
118	E	95.8	Very high	94.4	Very high	75 Å²	75	31.9 Å²	31.9	35%	0.35	15%	0.153	S	C	.	.	H	α-helix	trans	-67.4	-41.6	171.8	-68.7	-56.6	130.4	0	0	111.5	K60 N114 V115 F120 E121 N180	K60-E118 IonicContact NZ-OE1 3.9Å; N114-E118 WeakPolarHBondContact O-CG 3.45Å; N114-E118 PolarHBondContact O-N 3.39Å; V115-E118 PolarHBondContact O-N 2.78Å; E118-F120 VanDerWaalsContact C-N 3.29Å; E118-F120 PolarHBondContact O-N 2.99Å; E118-E121 WeakPolarHBondContact O-CB 3.29Å; E118-E121 PolarHBondContact O-N 3.36Å; E118-N180 WeakPolarHBondContact CB-ND2 3.31Å
119	M	95.2	Very high	94.2	Very high	6 Å²	6	29.9 Å²	29.9	3%	0.03	14%	0.143	C	C	.	.	H	α-helix	trans	-66.3	-33.7	173.6	-67.1	-52.4	-56.8	0	0	112.1	V115 S116 E121 V122 I177 N180 F181 M184 L499 A505	V115-M119 VanDerWaalsContact O-CG 3.32Å; V115-M119 WeakPolarHBondContact O-CG 3.31Å; V115-M119 PolarHBondContact O-N 3.23Å; S116-M119 PolarHBondContact O-N 3.2Å; M119-E121 PolarHBondContact O-N 3.21Å; M119-V122 WeakPolarHBondContact O-CB 3.49Å; M119-V122 VanDerWaalsContact O-CG1 3.31Å; M119-V122 WeakPolarHBondContact O-CG1 3.44Å; M119-V122 PolarHBondContact O-N 2.8Å; M119-I177 HydrophobicContact CE-CG2 3.81Å; M119-I177 HydrophobicContact SD-CG2 3.99Å; M119-N180 HydrophobicContact CG-CB 4.36Å; M119-N180 HydrophobicContact SD-CB 3.83Å; M119-F181 HydrophobicContact CE-CB 3.92Å; M119-F181 HydrophobicContact CE-CD2 4.01Å; M119-F181 HydrophobicContact CE-CG 4.41Å; M119-F181 HydrophobicContact SD-CB 3.97Å; M119-M184 HydrophobicContact CB-SD 4.43Å; M119-M184 HydrophobicContact CG-CE 4.11Å; M119-M184 HydrophobicContact CG-SD 4.2Å; M119-L499 HydrophobicContact CE-CD2 4.29Å; M119-A505 WeakPolarHBondContact CB-O 3.44Å; M119-A505 HydrophobicContact CE-CB 4.05Å
120	F	94.5	Very high	94.1	Very high	26 Å²	26	35 Å²	35	11%	0.114	17%	0.166	C	C	.	.	H	α-helix	trans	-63.4	-21.3	179.3	-159.7	-87.6	0	0	0	113.6	F52 F55 S116 L117 E118 V122 Y123 I332 I506	F52-F120 HydrophobicContact CE1-CE1 4.45Å; F52-F120 AromaticContact CE1-CZ 3.92Å; F52-F120 HydrophobicContact CE1-CZ 3.92Å; F52-F120 HydrophobicContact CE2-CZ 4.4Å; F52-F120 HydrophobicContact CZ-CE1 4.33Å; F52-F120 HydrophobicContact CZ-CE2 4.37Å; F52-F120 AromaticContact CZ-CZ 3.59Å; F52-F120 HydrophobicContact CZ-CZ 3.59Å; F55-F120 AromaticContact CE2-CD1 3.64Å; F55-F120 HydrophobicContact CE2-CD1 3.64Å; F55-F120 HydrophobicContact CE2-CE1 4.19Å; F55-F120 HydrophobicContact CE2-CG 4.49Å; F55-F120 HydrophobicContact CZ-CB 4.13Å; F55-F120 AromaticContact CZ-CD1 3.66Å; F55-F120 HydrophobicContact CZ-CD1 3.66Å; F55-F120 HydrophobicContact CZ-CG 4.31Å; S116-F120 WeakPolarHBondContact O-CB 3.49Å; S116-F120 PolarHBondContact O-N 3.16Å; L117-F120 PolarHBondContact O-N 3.06Å; E118-F120 VanDerWaalsContact C-N 3.29Å; E118-F120 PolarHBondContact O-N 2.99Å; F120-V122 PolarHBondContact O-N 3.42Å; F120-Y123 HydrophobicContact CD1-CD2 4.28Å; F120-Y123 HydrophobicContact CD2-CD2 4.29Å; F120-Y123 HydrophobicContact CD2-CE2 4.37Å; F120-Y123 HydrophobicContact CE1-CD2 4.1Å; F120-Y123 HydrophobicContact CE2-CD2 4.11Å; F120-Y123 HydrophobicContact CE2-CE2 4.06Å; F120-Y123 HydrophobicContact CG-CD2 4.36Å; F120-Y123 HydrophobicContact CZ-CD2 4.01Å; F120-Y123 HydrophobicContact CZ-CE2 4.29Å; F120-Y123 PolarHBondContact O-N 2.89Å; F120-Y123 VanDerWaalsContact O-N 3.14Å; F120-I332 HydrophobicContact CD1-CD1 4.08Å; F120-I332 HydrophobicContact CD1-CG1 4.45Å; F120-I332 HydrophobicContact CE1-CB 4.36Å; F120-I332 HydrophobicContact CE1-CD1 3.77Å; F120-I332 HydrophobicContact CE1-CG1 3.78Å; F120-I332 HydrophobicContact CE1-CG2 3.76Å; F120-I332 HydrophobicContact CZ-CG2 4.15Å; F120-I506 HydrophobicContact CB-CG2 4.29Å; F120-I506 HydrophobicContact CD2-CD1 4.25Å; F120-I506 HydrophobicContact CD2-CG2 3.85Å; F120-I506 HydrophobicContact CE2-CD1 4.12Å; F120-I506 HydrophobicContact CG-CG2 4.45Å
121	E	91.8	Very high	94	Very high	40 Å²	40	37.1 Å²	37.1	19%	0.187	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-58.4	-15.6	173.3	-72.7	-74.8	176.6	0	0	113.4	F55 K60 E118 M119 Y123 R124 G125	F55-E121 WeakPolarHBondContact CD1-OE1 3.5Å; F55-E121 HydrophobicContact CE1-CG 3.87Å; F55-E121 WeakPolarHBondContact CE1-OE1 2.9Å; K60-E121 WeakPolarHBondContact CE-OE1 3.46Å; K60-E121 IonicContact NZ-OE1 2.68Å; K60-E121 PolarHBondContact NZ-OE1 3.24Å; E118-E121 WeakPolarHBondContact O-CB 3.29Å; E118-E121 PolarHBondContact O-N 3.36Å; M119-E121 PolarHBondContact O-N 3.21Å; E121-Y123 PolarHBondContact O-N 3.3Å; E121-R124 CarbonylContact O-C 3.47Å; E121-R124 WeakPolarHBondContact O-CA 3.38Å; E121-R124 PolarHBondContact O-N 3.04Å; E121-R124 IonicContact OE1-NH1 3.12Å; E121-R124 WeakPolarHBondContact OE2-CD 3.36Å; E121-R124 IonicContact OE2-NH1 3.74Å; E121-R124 PolarHBondContact OE2-NH1 3.45Å; E121-G125 PolarHBondContact O-N 3.46Å
122	V	91.7	Very high	93.8	Very high	14 Å²	14	38 Å²	38	9%	0.085	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-53	-34.6	172	70	0	0	0	0	112	M119 F120 R124 G125 W167 P502 A505	M119-V122 WeakPolarHBondContact O-CB 3.49Å; M119-V122 VanDerWaalsContact O-CG1 3.31Å; M119-V122 WeakPolarHBondContact O-CG1 3.44Å; M119-V122 PolarHBondContact O-N 2.8Å; F120-V122 PolarHBondContact O-N 3.42Å; V122-R124 PolarHBondContact O-N 3.26Å; V122-R124 VanDerWaalsContact O-N 3.14Å; V122-G125 PolarHBondContact O-N 2.93Å; V122-W167 HydrophobicContact CG2-CH2 4.43Å; V122-W167 HydrophobicContact CG2-CZ2 4.16Å; V122-W167 WeakPolarHBondContact O-CH2 3.21Å; V122-P502 HydrophobicContact CG1-CB 3.91Å; V122-P502 HydrophobicContact CG2-CG 4.49Å; V122-A505 HydrophobicContact CB-CB 4.4Å; V122-A505 HydrophobicContact CG1-CB 3.96Å
123	Y	91.3	Very high	93.6	Very high	6 Å²	6	43.3 Å²	43.3	2%	0.024	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-66.5	-15.5	177.3	-76.7	-75.6	0	0	0	113.9	F120 E121 Y144 R334 P502 I506	F120-Y123 HydrophobicContact CD1-CD2 4.28Å; F120-Y123 HydrophobicContact CD2-CD2 4.29Å; F120-Y123 HydrophobicContact CD2-CE2 4.37Å; F120-Y123 HydrophobicContact CE1-CD2 4.1Å; F120-Y123 HydrophobicContact CE2-CD2 4.11Å; F120-Y123 HydrophobicContact CE2-CE2 4.06Å; F120-Y123 HydrophobicContact CG-CD2 4.36Å; F120-Y123 HydrophobicContact CZ-CD2 4.01Å; F120-Y123 HydrophobicContact CZ-CE2 4.29Å; F120-Y123 PolarHBondContact O-N 2.89Å; F120-Y123 VanDerWaalsContact O-N 3.14Å; E121-Y123 PolarHBondContact O-N 3.3Å; Y123-Y144 HydrophobicContact CD1-CD2 4.05Å; Y123-Y144 AromaticContact CD1-CE2 3.78Å; Y123-Y144 HydrophobicContact CD1-CE2 3.78Å; Y123-Y144 AromaticContact CE1-CE2 3.97Å; Y123-Y144 HydrophobicContact CE1-CE2 3.97Å; Y123-R334 HydrophobicContact CD1-CB 3.72Å; Y123-R334 HydrophobicContact CD1-CG 3.95Å; Y123-R334 HydrophobicContact CE1-CB 3.84Å; Y123-R334 HydrophobicContact CE1-CG 3.5Å; Y123-R334 VanDerWaalsContact CE1-CG 3.5Å; Y123-R334 HydrophobicContact CG-CB 4.33Å; Y123-R334 VanDerWaalsContact CZ-CD 3.5Å; Y123-R334 PolarHBondContact OH-NE 3.14Å; Y123-P502 HydrophobicContact CD1-CB 3.91Å; Y123-P502 HydrophobicContact CD1-CG 4.37Å; Y123-P502 HydrophobicContact CD2-CB 4.25Å; Y123-P502 HydrophobicContact CE1-CB 3.36Å; Y123-P502 HydrophobicContact CE1-CG 4.07Å; Y123-P502 HydrophobicContact CE2-CB 3.74Å; Y123-P502 HydrophobicContact CG-CB 4.32Å; Y123-I506 HydrophobicContact CE2-CD1 4.09Å; Y123-I506 HydrophobicContact CE2-CG2 4.41Å
124	R	88.5	Confident	93.5	Very high	67 Å²	67	47 Å²	47	25%	0.253	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-106.1	9.1	175.3	-60.8	-178.2	65.5	-145.8	7.3	112.5	E121 V122 I332	E121-R124 CarbonylContact O-C 3.47Å; E121-R124 WeakPolarHBondContact O-CA 3.38Å; E121-R124 PolarHBondContact O-N 3.04Å; E121-R124 IonicContact OE1-NH1 3.12Å; E121-R124 WeakPolarHBondContact OE2-CD 3.36Å; E121-R124 IonicContact OE2-NH1 3.74Å; E121-R124 PolarHBondContact OE2-NH1 3.45Å; V122-R124 PolarHBondContact O-N 3.26Å; V122-R124 VanDerWaalsContact O-N 3.14Å; R124-I332 HydrophobicContact CG-CD1 3.66Å
125	G	89.9	Confident	93.1	Very high	8 Å²	8	45.3 Å²	45.3	8%	0.082	25%	0.247	C	C	.	.			trans	-56.6	147.3	175.4	0	0	0	0	0	111.7	E121 V122 E142 L143	E121-G125 PolarHBondContact O-N 3.46Å; V122-G125 PolarHBondContact O-N 2.93Å; G125-E142 CarbonylContact O-C 3.54Å; G125-E142 WeakPolarHBondContact O-CA 3.31Å; G125-L143 PolarHBondContact O-N 3.03Å
126	K	91.4	Very high	92.9	Very high	81 Å²	81	51.2 Å²	51.2	35%	0.352	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	148.1	179.8	-61.6	-173.4	-169.8	-146.8	0	110.5	Q140 W141 E142	K126-Q140 HydrophobicContact CD-CB 4.38Å; K126-W141 CarbonylContact C-O 3.54Å; K126-W141 VanDerWaalsContact CA-O 3.24Å; K126-W141 WeakPolarHBondContact CA-O 3.34Å; K126-E142 HydrophobicContact CD-CG 3.83Å; K126-E142 VanDerWaalsContact CE-CG 3.41Å; K126-E142 WeakPolarHBondContact CE-OE1 3.34Å; K126-E142 HydrophobicContact CG-CB 4.45Å; K126-E142 HydrophobicContact CG-CG 3.47Å; K126-E142 VanDerWaalsContact CG-CG 3.47Å; K126-E142 IonicContact NZ-OE1 3.65Å; K126-E142 PolarHBondContact NZ-OE1 3.1Å
127	I	92.8	Very high	92.7	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.01	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	163.1	165.1	67.7	158.6	0	0	0	111	Q140 W141 L147 Y163 E166 W167	I127-Q140 WeakPolarHBondContact O-CA 3.49Å; I127-W141 HydrophobicContact CD1-CE3 4.49Å; I127-W141 HydrophobicContact CG1-CB 4.2Å; I127-W141 PolarHBondContact N-O 3.23Å; I127-W141 PolarHBondContact O-N 3.03Å; I127-W141 VanDerWaalsContact O-N 3.13Å; I127-L147 HydrophobicContact CD1-CD1 3.44Å; I127-L147 VanDerWaalsContact CD1-CD1 3.44Å; I127-L147 HydrophobicContact CD1-CD2 4.43Å; I127-L147 HydrophobicContact CG1-CD1 3.96Å; I127-L147 HydrophobicContact CG1-CD2 4.27Å; I127-L147 HydrophobicContact CG2-CD2 3.94Å; I127-Y163 HydrophobicContact CD1-CD1 3.73Å; I127-Y163 HydrophobicContact CD1-CG 4.38Å; I127-E166 HydrophobicContact CB-CB 3.96Å; I127-E166 HydrophobicContact CD1-CB 4.42Å; I127-E166 HydrophobicContact CG2-CB 4.06Å; I127-W167 HydrophobicContact CG2-CB 3.88Å; I127-W167 HydrophobicContact CG2-CE3 3.91Å
128	C	93.4	Very high	92.6	Very high	9 Å²	9	55.6 Å²	55.6	6%	0.061	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	106	164	-166.8	0	0	0	0	111.1	K130 R131 C137 R162	C128-K130 PolarHBondContact SG-O 3.48Å; C128-R131 VanDerWaalsContact SG-CG 3.57Å; C128-C137 WeakPolarHBondContact CA-SG 3.42Å; C128-C137 HydrophobicContact CB-CB 3.97Å; C128-C137 WeakPolarHBondContact CB-SG 3.4Å; C128-C137 WeakPolarHBondContact SG-CA 3.1Å; C128-C137 WeakPolarHBondContact SG-CB 3.4Å; C128-C137 CovalentContact SG-SG 2.04Å; C128-C137 PolarHBondContact SG-SG 2.77Å; C128-R162 PolarHBondContact O-NH1 3.3Å; C128-R162 VanDerWaalsContact O-NH1 3.14Å
129	A	91.9	Very high	92.5	Very high	4 Å²	4	55.1 Å²	55.1	3%	0.033	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	-35.7	-179.1	0	0	0	0	0	112.4	D139 W141 R162	A129-D139 HydrophobicContact CB-CB 4.44Å; A129-D139 PolarHBondContact N-O 2.88Å; A129-W141 HydrophobicContact CB-CB 4.45Å; A129-W141 HydrophobicContact CB-CD2 3.25Å; A129-W141 HydrophobicContact CB-CE3 3.73Å; A129-W141 HydrophobicContact CB-CG 3.6Å; A129-W141 HydrophobicContact CB-CH2 4.05Å; A129-W141 HydrophobicContact CB-CZ2 3.61Å; A129-W141 HydrophobicContact CB-CZ3 4.09Å; A129-R162 PolarHBondContact O-NH1 2.93Å; A129-R162 PolarHBondContact O-NH2 3.41Å
130	K	92.4	Very high	92.4	Very high	134 Å²	134	60.4 Å²	60.4	58%	0.583	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.4	135.1	178.1	-169.2	177.3	179.9	178.1	0	110.8	C128 V138 D139	C128-K130 PolarHBondContact SG-O 3.48Å; K130-V138 HydrophobicContact CB-CG2 4.07Å; K130-V138 HydrophobicContact CD-CG2 4.25Å; K130-V138 HydrophobicContact CG-CG2 3.96Å; K130-V138 WeakPolarHBondContact O-CG2 3.18Å; K130-V138 PolarHBondContact O-N 3.21Å; K130-D139 HydrophobicContact CB-CB 3.79Å; K130-D139 PolarHBondContact N-O 2.93Å; K130-D139 PolarHBondContact O-N 3.33Å
131	R	92.5	Very high	92.3	Very high	119 Å²	119	60.7 Å²	60.7	45%	0.449	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	146.2	170.8	-63.7	177.1	-171.9	-81.9	-2.3	109.7	C128 G135 H136 E166	C128-R131 VanDerWaalsContact SG-CG 3.57Å; R131-G135 WeakPolarHBondContact CD-O 3.24Å; R131-G135 PolarHBondContact NH1-O 3.31Å; R131-H136 CarbonylContact C-O 3.59Å; R131-H136 WeakPolarHBondContact CA-O 3.41Å; R131-E166 IonicContact CZ-OE1 3.85Å; R131-E166 IonicContact NE-OE1 3.05Å; R131-E166 IonicContact NH2-OE1 2.67Å; R131-E166 PolarHBondContact NH2-OE1 2.75Å; R131-E166 IonicContact NH2-OE2 2.7Å; R131-E166 PolarHBondContact NH2-OE2 2.93Å
132	D	94.4	Very high	92.2	Very high	63 Å²	63	60.6 Å²	60.6	34%	0.337	33%	0.326	S	S	.	.			trans	-76.5	-179.7	169.5	66.7	21.5	0	0	0	111.6	T134 G135 H136 V138	D132-T134 VanDerWaalsContact CG-OG1 3.25Å; D132-T134 PolarHBondContact O-N 3.06Å; D132-T134 VanDerWaalsContact O-N 3.09Å; D132-T134 VanDerWaalsContact OD1-CA 3.3Å; D132-T134 WeakPolarHBondContact OD1-CA 3.35Å; D132-T134 WeakPolarHBondContact OD1-CB 3.2Å; D132-T134 PolarHBondContact OD1-N 3.49Å; D132-T134 PolarHBondContact OD1-OG1 3.4Å; D132-T134 PolarHBondContact OD2-OG1 3.38Å; D132-G135 PolarHBondContact O-N 2.96Å; D132-G135 PolarHBondContact OD1-N 3.4Å; D132-H136 PolarHBondContact N-O 3.48Å; D132-H136 PolarHBondContact OD1-N 3.49Å; D132-V138 HydrophobicContact CB-CG1 3.79Å
133	A	92.9	Very high	92.1	Very high	115 Å²	115	59.9 Å²	59.9	95%	0.95	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-16.5	178.8	0	0	0	0	0	113.9
134	T	93.4	Very high	91.9	Very high	102 Å²	102	61.4 Å²	61.4	63%	0.626	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-0.5	177.6	65.4	0	0	0	0	113	D132 H136	D132-T134 VanDerWaalsContact CG-OG1 3.25Å; D132-T134 PolarHBondContact O-N 3.06Å; D132-T134 VanDerWaalsContact O-N 3.09Å; D132-T134 VanDerWaalsContact OD1-CA 3.3Å; D132-T134 WeakPolarHBondContact OD1-CA 3.35Å; D132-T134 WeakPolarHBondContact OD1-CB 3.2Å; D132-T134 PolarHBondContact OD1-N 3.49Å; D132-T134 PolarHBondContact OD1-OG1 3.4Å; D132-T134 PolarHBondContact OD2-OG1 3.38Å; T134-H136 VanDerWaalsContact C-N 3.32Å; T134-H136 PolarHBondContact OG1-ND1 2.7Å
135	G	90.2	Very high	91.5	Very high	37 Å²	37	58.7 Å²	58.7	38%	0.381	32%	0.319	S	S	.	.	S	Bend	trans	85.2	-0.5	-179.4	0	0	0	0	0	114.4	R131 D132	R131-G135 WeakPolarHBondContact CD-O 3.24Å; R131-G135 PolarHBondContact NH1-O 3.31Å; D132-G135 PolarHBondContact O-N 2.96Å; D132-G135 PolarHBondContact OD1-N 3.4Å
136	H	93.4	Very high	91.5	Very high	126 Å²	126	60.6 Å²	60.6	58%	0.583	33%	0.329	S	S	*	.			trans	-72	140.3	176.8	-68.7	99.8	0	0	0	110.4	R131 D132 T134 V138	R131-H136 CarbonylContact C-O 3.59Å; R131-H136 WeakPolarHBondContact CA-O 3.41Å; D132-H136 PolarHBondContact N-O 3.48Å; D132-H136 PolarHBondContact OD1-N 3.49Å; T134-H136 VanDerWaalsContact C-N 3.32Å; T134-H136 PolarHBondContact OG1-ND1 2.7Å; H136-V138 PolarHBondContact O-N 2.95Å
137	C	93.5	Very high	91.6	Very high	49 Å²	49	56.8 Å²	56.8	33%	0.331	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	120	176.8	-161.9	0	0	0	0	110.5	C128 D139	C128-C137 WeakPolarHBondContact CA-SG 3.42Å; C128-C137 HydrophobicContact CB-CB 3.97Å; C128-C137 WeakPolarHBondContact CB-SG 3.4Å; C128-C137 WeakPolarHBondContact SG-CA 3.1Å; C128-C137 WeakPolarHBondContact SG-CB 3.4Å; C128-C137 CovalentContact SG-SG 2.04Å; C128-C137 PolarHBondContact SG-SG 2.77Å; C137-D139 PolarHBondContact SG-O 3.4Å; C137-D139 VanDerWaalsContact SG-O 3.35Å
138	V	95.1	Very high	91.5	Very high	84 Å²	84	59.9 Å²	59.9	51%	0.509	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	-13.5	179.7	-65	0	0	0	0	113.1	K130 D132 H136	K130-V138 HydrophobicContact CB-CG2 4.07Å; K130-V138 HydrophobicContact CD-CG2 4.25Å; K130-V138 HydrophobicContact CG-CG2 3.96Å; K130-V138 WeakPolarHBondContact O-CG2 3.18Å; K130-V138 PolarHBondContact O-N 3.21Å; D132-V138 HydrophobicContact CB-CG1 3.79Å; H136-V138 PolarHBondContact O-N 2.95Å
139	D	93.5	Very high	91.2	Very high	65 Å²	65	61.2 Å²	61.2	35%	0.348	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	123.3	175.6	-173.2	11.6	0	0	0	109.9	A129 K130 C137 W141	A129-D139 HydrophobicContact CB-CB 4.44Å; A129-D139 PolarHBondContact N-O 2.88Å; K130-D139 HydrophobicContact CB-CB 3.79Å; K130-D139 PolarHBondContact N-O 2.93Å; K130-D139 PolarHBondContact O-N 3.33Å; C137-D139 PolarHBondContact SG-O 3.4Å; C137-D139 VanDerWaalsContact SG-O 3.35Å; D139-W141 PolarHBondContact OD1-NE1 3.39Å; D139-W141 PolarHBondContact OD2-NE1 3.3Å
140	Q	92.2	Very high	91.2	Very high	118 Å²	118	63.6 Å²	63.6	55%	0.551	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.2	127.6	-179	-71.5	-169.2	-33.4	0	0	110.6	K126 I127	K126-Q140 HydrophobicContact CD-CB 4.38Å; I127-Q140 WeakPolarHBondContact O-CA 3.49Å
141	W	91.9	Very high	91.2	Very high	32 Å²	32	57.2 Å²	57.2	12%	0.121	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	123.8	175.4	-62.7	-8.7	0	0	0	110.4	K126 I127 A129 D139 T146 L147 N150 Y163	K126-W141 CarbonylContact C-O 3.54Å; K126-W141 VanDerWaalsContact CA-O 3.24Å; K126-W141 WeakPolarHBondContact CA-O 3.34Å; I127-W141 HydrophobicContact CD1-CE3 4.49Å; I127-W141 HydrophobicContact CG1-CB 4.2Å; I127-W141 PolarHBondContact N-O 3.23Å; I127-W141 PolarHBondContact O-N 3.03Å; I127-W141 VanDerWaalsContact O-N 3.13Å; A129-W141 HydrophobicContact CB-CB 4.45Å; A129-W141 HydrophobicContact CB-CD2 3.25Å; A129-W141 HydrophobicContact CB-CE3 3.73Å; A129-W141 HydrophobicContact CB-CG 3.6Å; A129-W141 HydrophobicContact CB-CH2 4.05Å; A129-W141 HydrophobicContact CB-CZ2 3.61Å; A129-W141 HydrophobicContact CB-CZ3 4.09Å; D139-W141 PolarHBondContact OD1-NE1 3.39Å; D139-W141 PolarHBondContact OD2-NE1 3.3Å; W141-T146 HydrophobicContact CB-CG2 4.06Å; W141-T146 HydrophobicContact CD2-CG2 4.21Å; W141-T146 HydrophobicContact CG-CG2 3.71Å; W141-L147 HydrophobicContact CB-CB 4.15Å; W141-L147 HydrophobicContact CE3-CD1 4.24Å; W141-N150 HydrophobicContact CD2-CB 4.38Å; W141-N150 VanDerWaalsContact CD2-ND2 3.28Å; W141-N150 HydrophobicContact CE3-CB 3.7Å; W141-N150 HydrophobicContact CH2-CB 3.61Å; W141-N150 VanDerWaalsContact CH2-ND2 3.3Å; W141-N150 WeakPolarHBondContact CH2-ND2 3.35Å; W141-N150 HydrophobicContact CZ2-CB 4.29Å; W141-N150 WeakPolarHBondContact CZ2-ND2 3.35Å; W141-N150 HydrophobicContact CZ3-CB 3.27Å; W141-N150 WeakPolarHBondContact CZ3-ND2 3.41Å; W141-Y163 HydrophobicContact CE3-CE1 4.4Å; W141-Y163 HydrophobicContact CH2-CE1 4.02Å; W141-Y163 HydrophobicContact CH2-CE2 4.45Å; W141-Y163 AromaticContact CH2-CZ 3.78Å; W141-Y163 HydrophobicContact CZ3-CD1 4.18Å; W141-Y163 AromaticContact CZ3-CE1 3.65Å; W141-Y163 HydrophobicContact CZ3-CE1 3.65Å; W141-Y163 HydrophobicContact CZ3-CE2 4.13Å; W141-Y163 AromaticContact CZ3-CZ 3.67Å
142	E	89.4	Confident	91.1	Very high	37 Å²	37	52 Å²	52	17%	0.173	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	149.4	169	-79	179.5	-147.8	0	0	111	G125 K126 Y144 L147 K325	G125-E142 CarbonylContact O-C 3.54Å; G125-E142 WeakPolarHBondContact O-CA 3.31Å; K126-E142 HydrophobicContact CD-CG 3.83Å; K126-E142 VanDerWaalsContact CE-CG 3.41Å; K126-E142 WeakPolarHBondContact CE-OE1 3.34Å; K126-E142 HydrophobicContact CG-CB 4.45Å; K126-E142 HydrophobicContact CG-CG 3.47Å; K126-E142 VanDerWaalsContact CG-CG 3.47Å; K126-E142 IonicContact NZ-OE1 3.65Å; K126-E142 PolarHBondContact NZ-OE1 3.1Å; E142-Y144 VanDerWaalsContact C-N 3.3Å; E142-Y144 PolarHBondContact O-N 3.15Å; E142-L147 VanDerWaalsContact O-CB 3.29Å; E142-L147 WeakPolarHBondContact O-CB 3.42Å; E142-L147 PolarHBondContact O-N 3.41Å; E142-K325 IonicContact OE1-NZ 3.96Å; E142-K325 IonicContact OE2-NZ 3.9Å; E142-K325 PolarHBondContact OE2-NZ 3.02Å
143	L	91	Very high	90.7	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	30%	0.304	C	S	.	.	I	π-helix	trans	-48.6	-54.4	178.3	178.5	62.6	0	0	0	111.6	G125 L147 R148 W167 L261 F262 P502	G125-L143 PolarHBondContact O-N 3.03Å; L143-L147 HydrophobicContact CD1-CD2 4.33Å; L143-R148 HydrophobicContact CD1-CG 3.97Å; L143-R148 WeakPolarHBondContact O-CG 3.29Å; L143-R148 PolarHBondContact O-N 3.29Å; L143-W167 HydrophobicContact CB-CH2 3.64Å; L143-W167 HydrophobicContact CB-CZ2 4.4Å; L143-W167 HydrophobicContact CB-CZ3 3.84Å; L143-W167 HydrophobicContact CD1-CH2 3.93Å; L143-W167 HydrophobicContact CD1-CZ2 3.86Å; L143-W167 HydrophobicContact CD1-CZ3 4.28Å; L143-W167 HydrophobicContact CD2-CH2 3.74Å; L143-W167 HydrophobicContact CD2-CZ2 3.8Å; L143-W167 HydrophobicContact CG-CH2 3.95Å; L143-W167 HydrophobicContact CG-CZ2 4.21Å; L143-W167 HydrophobicContact CG-CZ3 4.46Å; L143-L261 HydrophobicContact CD1-CD2 3.73Å; L143-F262 HydrophobicContact CD1-CE2 4.17Å; L143-F262 HydrophobicContact CD1-CZ 3.74Å; L143-F262 HydrophobicContact CD2-CZ 4.39Å; L143-P502 HydrophobicContact CD2-CG 3.47Å; L143-P502 VanDerWaalsContact CD2-CG 3.47Å
144	Y	86.4	Confident	90.6	Very high	38 Å²	38	49 Å²	49	15%	0.149	27%	0.265	C	S	.	.	I	π-helix	trans	-108.5	132.6	175.8	-77.4	-93.7	0	0	0	112	Y123 E142 R148 K325	Y123-Y144 HydrophobicContact CD1-CD2 4.05Å; Y123-Y144 AromaticContact CD1-CE2 3.78Å; Y123-Y144 HydrophobicContact CD1-CE2 3.78Å; Y123-Y144 AromaticContact CE1-CE2 3.97Å; Y123-Y144 HydrophobicContact CE1-CE2 3.97Å; E142-Y144 VanDerWaalsContact C-N 3.3Å; E142-Y144 PolarHBondContact O-N 3.15Å; Y144-R148 VanDerWaalsContact CZ-NH1 3.32Å; Y144-R148 PolarHBondContact OH-NH1 3Å; Y144-R148 VanDerWaalsContact OH-NH1 3.09Å; Y144-K325 PolarHBondContact O-NZ 3.23Å
145	P	81.2	Confident	90.2	Very high	9 Å²	9	49.5 Å²	49.5	6%	0.058	26%	0.255	C	S	.	.	I	π-helix	cis	-89.2	-15.1	-15.1	35.2	-34.2	0	0	0	113.4	R149 K325	P145-R149 HydrophobicContact CB-CG 4.49Å; P145-R149 WeakPolarHBondContact O-CB 3.46Å; P145-R149 WeakPolarHBondContact O-CG 3.24Å; P145-R149 PolarHBondContact O-N 3.26Å; P145-R149 VanDerWaalsContact O-N 3.08Å; P145-K325 HydrophobicContact CG-CB 4.36Å; P145-K325 HydrophobicContact CG-CD 4.34Å
146	T	88.3	Confident	90.2	Very high	49 Å²	49	51.7 Å²	51.7	30%	0.301	26%	0.258	S	S	.	.	I	π-helix	trans	-64	-50.5	-159.1	-47.1	0	0	0	0	113.4	W141 R149 N150	W141-T146 HydrophobicContact CB-CG2 4.06Å; W141-T146 HydrophobicContact CD2-CG2 4.21Å; W141-T146 HydrophobicContact CG-CG2 3.71Å; T146-R149 PolarHBondContact O-N 3.06Å; T146-N150 WeakPolarHBondContact O-CB 3.33Å; T146-N150 VanDerWaalsContact O-CG 3.3Å; T146-N150 PolarHBondContact O-N 2.73Å
147	L	93.2	Very high	90.1	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.252	C	S	.	.	I	π-helix	trans	-60.6	-51.6	-178.5	172.6	56.1	0	0	0	111.2	I127 W141 E142 L143 R149 N150 F151 W167 L261	I127-L147 HydrophobicContact CD1-CD1 3.44Å; I127-L147 VanDerWaalsContact CD1-CD1 3.44Å; I127-L147 HydrophobicContact CD1-CD2 4.43Å; I127-L147 HydrophobicContact CG1-CD1 3.96Å; I127-L147 HydrophobicContact CG1-CD2 4.27Å; I127-L147 HydrophobicContact CG2-CD2 3.94Å; W141-L147 HydrophobicContact CB-CB 4.15Å; W141-L147 HydrophobicContact CE3-CD1 4.24Å; E142-L147 VanDerWaalsContact O-CB 3.29Å; E142-L147 WeakPolarHBondContact O-CB 3.42Å; E142-L147 PolarHBondContact O-N 3.41Å; L143-L147 HydrophobicContact CD1-CD2 4.33Å; L147-R149 VanDerWaalsContact C-N 3.31Å; L147-R149 PolarHBondContact O-N 3.22Å; L147-N150 PolarHBondContact O-N 3.11Å; L147-F151 WeakPolarHBondContact O-CB 3.17Å; L147-F151 PolarHBondContact O-N 3.18Å; L147-W167 HydrophobicContact CD2-CB 4.3Å; L147-W167 HydrophobicContact CD2-CD2 4.01Å; L147-W167 HydrophobicContact CD2-CE3 3.61Å; L147-W167 HydrophobicContact CD2-CG 4.3Å; L147-W167 HydrophobicContact CD2-CZ3 4.29Å; L147-L261 HydrophobicContact CD2-CD2 3.7Å; L147-L261 HydrophobicContact CG-CD2 3.99Å
148	R	91.2	Very high	90	Very high	68 Å²	68	51.2 Å²	51.2	26%	0.257	26%	0.262	S	S	.	.	H	α-helix	trans	-57.4	-44.7	179.6	-70.9	-176.7	73.2	-152.3	2.4	111.9	L143 Y144 A152 D260	L143-R148 HydrophobicContact CD1-CG 3.97Å; L143-R148 WeakPolarHBondContact O-CG 3.29Å; L143-R148 PolarHBondContact O-N 3.29Å; Y144-R148 VanDerWaalsContact CZ-NH1 3.32Å; Y144-R148 PolarHBondContact OH-NH1 3Å; Y144-R148 VanDerWaalsContact OH-NH1 3.09Å; R148-A152 WeakPolarHBondContact O-CB 3.48Å; R148-A152 PolarHBondContact O-N 3.42Å; R148-D260 IonicContact NH2-OD2 3.75Å
149	R	87.6	Confident	89.9	Confident	36 Å²	36	51.3 Å²	51.3	14%	0.136	26%	0.257	C	S	.	.	H	α-helix	trans	-65.7	-44.4	179.7	-73.7	-177.4	-177.9	142.5	10.6	112.4	P145 T146 L147 A152 N153 C352 E354 D359	P145-R149 HydrophobicContact CB-CG 4.49Å; P145-R149 WeakPolarHBondContact O-CB 3.46Å; P145-R149 WeakPolarHBondContact O-CG 3.24Å; P145-R149 PolarHBondContact O-N 3.26Å; P145-R149 VanDerWaalsContact O-N 3.08Å; T146-R149 PolarHBondContact O-N 3.06Å; L147-R149 VanDerWaalsContact C-N 3.31Å; L147-R149 PolarHBondContact O-N 3.22Å; R149-A152 PolarHBondContact O-N 3.09Å; R149-N153 PolarHBondContact O-N 3.18Å; R149-N153 PolarHBondContact O-ND2 3Å; R149-C352 PolarHBondContact NH2-O 3.25Å; R149-C352 VanDerWaalsContact NH2-O 3.08Å; R149-E354 VanDerWaalsContact CZ-CD 3.47Å; R149-E354 IonicContact CZ-OE1 2.78Å; R149-E354 IonicContact NE-OE1 3.97Å; R149-E354 IonicContact NE-OE2 2.82Å; R149-E354 IonicContact NH1-OE1 2.77Å; R149-E354 PolarHBondContact NH1-OE1 3.01Å; R149-E354 IonicContact NH1-OE2 3.78Å; R149-D359 IonicContact CZ-OD2 3.99Å; R149-D359 IonicContact NE-OD2 3.72Å; R149-D359 IonicContact NH2-OD1 3.82Å; R149-D359 IonicContact NH2-OD2 2.76Å; R149-D359 PolarHBondContact NH2-OD2 2.04Å
150	N	91.1	Very high	89.9	Confident	55 Å²	55	48.8 Å²	48.8	29%	0.294	24%	0.244	S	C	.	.	H	α-helix	trans	-70.2	-38.7	-179.8	-69	-11.3	0	0	0	111.1	W141 T146 L147 A152 N153 A154	W141-N150 HydrophobicContact CD2-CB 4.38Å; W141-N150 VanDerWaalsContact CD2-ND2 3.28Å; W141-N150 HydrophobicContact CE3-CB 3.7Å; W141-N150 HydrophobicContact CH2-CB 3.61Å; W141-N150 VanDerWaalsContact CH2-ND2 3.3Å; W141-N150 WeakPolarHBondContact CH2-ND2 3.35Å; W141-N150 HydrophobicContact CZ2-CB 4.29Å; W141-N150 WeakPolarHBondContact CZ2-ND2 3.35Å; W141-N150 HydrophobicContact CZ3-CB 3.27Å; W141-N150 WeakPolarHBondContact CZ3-ND2 3.41Å; T146-N150 WeakPolarHBondContact O-CB 3.33Å; T146-N150 VanDerWaalsContact O-CG 3.3Å; T146-N150 PolarHBondContact O-N 2.73Å; L147-N150 PolarHBondContact O-N 3.11Å; N150-A152 PolarHBondContact O-N 3.3Å; N150-N153 CarbonylContact O-C 3.48Å; N150-N153 PolarHBondContact O-N 3.08Å; N150-N153 VanDerWaalsContact O-N 3.12Å; N150-A154 PolarHBondContact O-N 3.03Å
151	F	93.3	Very high	90	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-58.8	-45.8	173.3	-163.5	-84.7	0	0	0	111.8	L147 N153 A154 L160 W164 H256 L261	L147-F151 WeakPolarHBondContact O-CB 3.17Å; L147-F151 PolarHBondContact O-N 3.18Å; F151-N153 PolarHBondContact O-N 2.9Å; F151-A154 PolarHBondContact O-N 3.09Å; F151-L160 HydrophobicContact CD1-CD2 4.01Å; F151-L160 HydrophobicContact CD2-CD2 4.18Å; F151-L160 HydrophobicContact CE1-CD2 3.82Å; F151-L160 HydrophobicContact CE2-CD2 4Å; F151-L160 VanDerWaalsContact CE2-O 3.31Å; F151-L160 WeakPolarHBondContact CE2-O 3.44Å; F151-L160 HydrophobicContact CG-CD2 4.18Å; F151-L160 HydrophobicContact CZ-CB 4.5Å; F151-L160 HydrophobicContact CZ-CD2 3.81Å; F151-L160 WeakPolarHBondContact O-CD2 3.44Å; F151-W164 HydrophobicContact CE2-CB 4.01Å; F151-W164 HydrophobicContact CZ-CB 4.3Å; F151-H256 HydrophobicContact CZ-CB 4.06Å; F151-L261 HydrophobicContact CD1-CB 4.32Å; F151-L261 HydrophobicContact CD2-CD1 3.8Å; F151-L261 HydrophobicContact CE2-CD1 3.78Å; F151-L261 HydrophobicContact CG-CB 4.36Å; F151-L261 HydrophobicContact CG-CD1 4.3Å; F151-L261 HydrophobicContact CZ-CD1 4.26Å
152	A	89.9	Confident	90	Very high	10 Å²	10	48.2 Å²	48.2	8%	0.083	24%	0.237	C	C	.	.	H	α-helix	trans	-60.2	-27.9	175.8	0	0	0	0	0	114	R148 R149 N150 R155 G259 N268	R148-A152 WeakPolarHBondContact O-CB 3.48Å; R148-A152 PolarHBondContact O-N 3.42Å; R149-A152 PolarHBondContact O-N 3.09Å; N150-A152 PolarHBondContact O-N 3.3Å; A152-R155 PolarHBondContact O-NH1 3.07Å; A152-G259 WeakPolarHBondContact CA-O 3.05Å; A152-N268 HydrophobicContact CB-CB 4.46Å; A152-N268 VanDerWaalsContact CB-ND2 3.28Å; A152-N268 WeakPolarHBondContact CB-ND2 3.47Å
153	N	86.8	Confident	90.2	Very high	101 Å²	101	47.3 Å²	47.3	54%	0.54	23%	0.231	S	C	.	.	H	α-helix	trans	-99.1	-11.2	-177.5	-70.5	-56.6	0	0	0	114.4	R149 N150 F151 R155	R149-N153 PolarHBondContact O-N 3.18Å; R149-N153 PolarHBondContact O-ND2 3Å; N150-N153 CarbonylContact O-C 3.48Å; N150-N153 PolarHBondContact O-N 3.08Å; N150-N153 VanDerWaalsContact O-N 3.12Å; F151-N153 PolarHBondContact O-N 2.9Å; N153-R155 VanDerWaalsContact C-CZ 3.48Å; N153-R155 PolarHBondContact O-NE 2.96Å; N153-R155 PolarHBondContact O-NH1 3.16Å
154	A	89.3	Confident	90.3	Very high	14 Å²	14	47.3 Å²	47.3	12%	0.116	23%	0.231	C	C	.	.			trans	-71.4	148.4	175.2	0	0	0	0	0	111.7	N150 F151 L160 Y163	N150-A154 PolarHBondContact O-N 3.03Å; F151-A154 PolarHBondContact O-N 3.09Å; A154-L160 HydrophobicContact CB-CD2 3.73Å; A154-L160 HydrophobicContact CB-CG 4.05Å; A154-Y163 HydrophobicContact CB-CE2 4.41Å
155	R	85.1	Confident	90.6	Very high	111 Å²	111	47.8 Å²	47.8	42%	0.419	24%	0.235	S	C	.	.			trans	-127.6	-26.3	-177.8	-51.9	-62.7	168.6	-115.8	3.8	112.7	A152 N153 E157 T272	A152-R155 PolarHBondContact O-NH1 3.07Å; N153-R155 VanDerWaalsContact C-CZ 3.48Å; N153-R155 PolarHBondContact O-NE 2.96Å; N153-R155 PolarHBondContact O-NH1 3.16Å; R155-E157 PolarHBondContact O-N 3.17Å; R155-T272 VanDerWaalsContact CD-CG2 3.44Å; R155-T272 VanDerWaalsContact NH2-CG2 3.29Å
156	D	90.6	Very high	91	Very high	84 Å²	84	49.4 Å²	49.4	45%	0.449	24%	0.242	S	C	.	.			trans	-72.3	124.3	176.9	-177.2	-91.2	0	0	0	109.7	A158 E159 L160	D156-A158 VanDerWaalsContact C-N 3.31Å; D156-A158 PolarHBondContact O-N 3.12Å; D156-A158 WeakPolarHBondContact OD1-CA 3.38Å; D156-A158 WeakPolarHBondContact OD1-CB 3.42Å; D156-A158 PolarHBondContact OD1-N 3.35Å; D156-E159 HydrophobicContact CB-CB 4.06Å; D156-E159 HydrophobicContact CB-CG 3.98Å; D156-E159 PolarHBondContact O-N 3.14Å; D156-E159 PolarHBondContact OD1-N 3.3Å; D156-L160 WeakPolarHBondContact O-CG 3.4Å; D156-L160 PolarHBondContact O-N 3.28Å
157	E	91.5	Very high	91.2	Very high	98 Å²	98	47.3 Å²	47.3	46%	0.458	23%	0.228	S	C	.	.	H	α-helix	trans	-62.4	-39.8	-176.7	-167.6	-139.7	142.1	0	0	111.6	R155 L160 R161 H256 L257	R155-E157 PolarHBondContact O-N 3.17Å; E157-L160 PolarHBondContact O-N 3.14Å; E157-R161 VanDerWaalsContact O-CB 3.27Å; E157-R161 WeakPolarHBondContact O-CB 3.11Å; E157-R161 PolarHBondContact O-N 3.39Å; E157-R161 IonicContact OE1-CZ 3.7Å; E157-R161 IonicContact OE1-NE 3.71Å; E157-R161 IonicContact OE1-NH2 3.45Å; E157-R161 PolarHBondContact OE1-NH2 3.28Å; E157-H256 IonicContact OE1-NE2 2.9Å; E157-L257 HydrophobicContact CG-CD2 3.7Å
158	A	91.9	Very high	91.1	Very high	66 Å²	66	47.5 Å²	47.5	55%	0.545	23%	0.229	S	C	.	.	H	α-helix	trans	-69.2	-37.8	-179.6	0	0	0	0	0	111.2	D156 R162	D156-A158 VanDerWaalsContact C-N 3.31Å; D156-A158 PolarHBondContact O-N 3.12Å; D156-A158 WeakPolarHBondContact OD1-CA 3.38Å; D156-A158 WeakPolarHBondContact OD1-CB 3.42Å; D156-A158 PolarHBondContact OD1-N 3.35Å; A158-R162 VanDerWaalsContact O-CB 3.28Å; A158-R162 WeakPolarHBondContact O-CB 3.43Å; A158-R162 PolarHBondContact O-N 3.39Å
159	E	92.7	Very high	90.7	Very high	86 Å²	86	47.7 Å²	47.7	40%	0.402	23%	0.233	S	C	.	.	H	α-helix	trans	-63.3	-50	171.2	-71.1	-170	153.5	0	0	112	D156 R161 R162 Y163	D156-E159 HydrophobicContact CB-CB 4.06Å; D156-E159 HydrophobicContact CB-CG 3.98Å; D156-E159 PolarHBondContact O-N 3.14Å; D156-E159 PolarHBondContact OD1-N 3.3Å; E159-R161 VanDerWaalsContact C-N 3.31Å; E159-R161 PolarHBondContact O-N 2.88Å; E159-R162 PolarHBondContact O-N 3.21Å; E159-Y163 HydrophobicContact CB-CD2 4.33Å; E159-Y163 HydrophobicContact CB-CE2 3.81Å; E159-Y163 WeakPolarHBondContact O-CD2 3.47Å; E159-Y163 VanDerWaalsContact O-CG 3.25Å; E159-Y163 PolarHBondContact O-N 2.8Å
160	L	93.9	Very high	89.7	Confident	12 Å²	12	49.5 Å²	49.5	6%	0.063	25%	0.248	C	C	.	.	H	α-helix	trans	-55.8	-47.7	177.4	-76.9	168.6	0	0	0	111.1	F151 A154 D156 E157 R162 Y163 W164	F151-L160 HydrophobicContact CD1-CD2 4.01Å; F151-L160 HydrophobicContact CD2-CD2 4.18Å; F151-L160 HydrophobicContact CE1-CD2 3.82Å; F151-L160 HydrophobicContact CE2-CD2 4Å; F151-L160 VanDerWaalsContact CE2-O 3.31Å; F151-L160 WeakPolarHBondContact CE2-O 3.44Å; F151-L160 HydrophobicContact CG-CD2 4.18Å; F151-L160 HydrophobicContact CZ-CB 4.5Å; F151-L160 HydrophobicContact CZ-CD2 3.81Å; F151-L160 WeakPolarHBondContact O-CD2 3.44Å; A154-L160 HydrophobicContact CB-CD2 3.73Å; A154-L160 HydrophobicContact CB-CG 4.05Å; D156-L160 WeakPolarHBondContact O-CG 3.4Å; D156-L160 PolarHBondContact O-N 3.28Å; E157-L160 PolarHBondContact O-N 3.14Å; L160-R162 PolarHBondContact O-N 3.48Å; L160-Y163 PolarHBondContact O-N 2.73Å; L160-W164 VanDerWaalsContact O-CB 3.32Å; L160-W164 WeakPolarHBondContact O-CB 3.29Å; L160-W164 PolarHBondContact O-N 3.07Å
161	R	93.6	Very high	88.7	Confident	61 Å²	61	50 Å²	50	23%	0.23	25%	0.248	C	C	.	.	H	α-helix	trans	-60	-48.1	177.8	-172	-178.5	-63.1	-149.2	4.9	111	E157 E159 Y163 W164 E165 S488 F489	E157-R161 VanDerWaalsContact O-CB 3.27Å; E157-R161 WeakPolarHBondContact O-CB 3.11Å; E157-R161 PolarHBondContact O-N 3.39Å; E157-R161 IonicContact OE1-CZ 3.7Å; E157-R161 IonicContact OE1-NE 3.71Å; E157-R161 IonicContact OE1-NH2 3.45Å; E157-R161 PolarHBondContact OE1-NH2 3.28Å; E159-R161 VanDerWaalsContact C-N 3.31Å; E159-R161 PolarHBondContact O-N 2.88Å; R161-Y163 PolarHBondContact O-N 2.92Å; R161-W164 WeakPolarHBondContact O-CB 3.29Å; R161-W164 PolarHBondContact O-N 3.11Å; R161-E165 HydrophobicContact CG-CG 4.48Å; R161-E165 VanDerWaalsContact CG-OE1 3.3Å; R161-E165 WeakPolarHBondContact CG-OE1 3.47Å; R161-E165 WeakPolarHBondContact O-CB 3.04Å; R161-E165 VanDerWaalsContact O-CG 3.29Å; R161-E165 WeakPolarHBondContact O-CG 3.03Å; R161-E165 PolarHBondContact O-N 3.07Å; R161-S488 PolarHBondContact NH1-O 3.13Å; R161-S488 PolarHBondContact NH1-OG 3.14Å; R161-F489 HydrophobicContact CG-CE1 4.38Å
162	R	91.8	Very high	87.4	Confident	78 Å²	78	50.4 Å²	50.4	29%	0.294	25%	0.25	S	C	.	.	H	α-helix	trans	-63	-42.4	179.3	-173.6	-171.8	65.9	85.7	-10.7	112.7	C128 A129 A158 E159 L160 W164 E165 E166	C128-R162 PolarHBondContact O-NH1 3.3Å; C128-R162 VanDerWaalsContact O-NH1 3.14Å; A129-R162 PolarHBondContact O-NH1 2.93Å; A129-R162 PolarHBondContact O-NH2 3.41Å; A158-R162 VanDerWaalsContact O-CB 3.28Å; A158-R162 WeakPolarHBondContact O-CB 3.43Å; A158-R162 PolarHBondContact O-N 3.39Å; E159-R162 PolarHBondContact O-N 3.21Å; L160-R162 PolarHBondContact O-N 3.48Å; R162-W164 VanDerWaalsContact C-N 3.33Å; R162-E165 PolarHBondContact O-N 3.26Å; R162-E166 HydrophobicContact CG-CG 4.48Å; R162-E166 WeakPolarHBondContact O-CB 3.44Å; R162-E166 WeakPolarHBondContact O-CG 3.46Å; R162-E166 PolarHBondContact O-N 2.78Å
163	Y	94	Very high	86.5	Confident	17 Å²	17	55.2 Å²	55.2	7%	0.067	27%	0.274	C	S	.	.	H	α-helix	trans	-64.5	-41.1	177.1	-64.4	-44.5	0	0	0	111.6	I127 W141 A154 E159 L160 R161 W167	I127-Y163 HydrophobicContact CD1-CD1 3.73Å; I127-Y163 HydrophobicContact CD1-CG 4.38Å; W141-Y163 HydrophobicContact CE3-CE1 4.4Å; W141-Y163 HydrophobicContact CH2-CE1 4.02Å; W141-Y163 HydrophobicContact CH2-CE2 4.45Å; W141-Y163 AromaticContact CH2-CZ 3.78Å; W141-Y163 HydrophobicContact CZ3-CD1 4.18Å; W141-Y163 AromaticContact CZ3-CE1 3.65Å; W141-Y163 HydrophobicContact CZ3-CE1 3.65Å; W141-Y163 HydrophobicContact CZ3-CE2 4.13Å; W141-Y163 AromaticContact CZ3-CZ 3.67Å; A154-Y163 HydrophobicContact CB-CE2 4.41Å; E159-Y163 HydrophobicContact CB-CD2 4.33Å; E159-Y163 HydrophobicContact CB-CE2 3.81Å; E159-Y163 WeakPolarHBondContact O-CD2 3.47Å; E159-Y163 VanDerWaalsContact O-CG 3.25Å; E159-Y163 PolarHBondContact O-N 2.8Å; L160-Y163 PolarHBondContact O-N 2.73Å; R161-Y163 PolarHBondContact O-N 2.92Å; Y163-W167 PolarHBondContact O-N 3.48Å; Y163-W167 VanDerWaalsContact O-N 3.08Å
164	W	94.1	Very high	86.5	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-61.4	-49.8	174.7	-169	97.7	0	0	0	110.4	F151 L160 R161 R162 W167 Y168 H256 L261 W475 R486 P487 F489	F151-W164 HydrophobicContact CE2-CB 4.01Å; F151-W164 HydrophobicContact CZ-CB 4.3Å; L160-W164 VanDerWaalsContact O-CB 3.32Å; L160-W164 WeakPolarHBondContact O-CB 3.29Å; L160-W164 PolarHBondContact O-N 3.07Å; R161-W164 WeakPolarHBondContact O-CB 3.29Å; R161-W164 PolarHBondContact O-N 3.11Å; R162-W164 VanDerWaalsContact C-N 3.33Å; W164-W167 PolarHBondContact O-N 2.91Å; W164-Y168 AromaticContact CD1-CE2 3.81Å; W164-Y168 AromaticContact CD2-CD2 3.46Å; W164-Y168 HydrophobicContact CD2-CD2 3.46Å; W164-Y168 VanDerWaalsContact CD2-CD2 3.46Å; W164-Y168 AromaticContact CD2-CE2 3.91Å; W164-Y168 HydrophobicContact CD2-CE2 3.91Å; W164-Y168 HydrophobicContact CD2-CG 4.2Å; W164-Y168 AromaticContact CE2-CD2 3.22Å; W164-Y168 AromaticContact CE2-CE2 3.24Å; W164-Y168 AromaticContact CE2-CG 3.94Å; W164-Y168 AromaticContact CE2-CZ 3.95Å; W164-Y168 AromaticContact CE3-CD2 3.85Å; W164-Y168 HydrophobicContact CE3-CD2 3.85Å; W164-Y168 HydrophobicContact CE3-CG 4.17Å; W164-Y168 AromaticContact CG-CD2 3.98Å; W164-Y168 HydrophobicContact CG-CD2 3.98Å; W164-Y168 HydrophobicContact CG-CE2 4.22Å; W164-Y168 AromaticContact CH2-CD1 3.97Å; W164-Y168 HydrophobicContact CH2-CD1 3.97Å; W164-Y168 AromaticContact CH2-CD2 3.78Å; W164-Y168 HydrophobicContact CH2-CD2 3.78Å; W164-Y168 HydrophobicContact CH2-CE1 4.42Å; W164-Y168 HydrophobicContact CH2-CE2 4.29Å; W164-Y168 AromaticContact CH2-CG 3.59Å; W164-Y168 HydrophobicContact CH2-CG 3.59Å; W164-Y168 AromaticContact CZ2-CD1 3.94Å; W164-Y168 HydrophobicContact CZ2-CD1 3.94Å; W164-Y168 AromaticContact CZ2-CD2 3.39Å; W164-Y168 HydrophobicContact CZ2-CD2 3.39Å; W164-Y168 AromaticContact CZ2-CE1 3.98Å; W164-Y168 HydrophobicContact CZ2-CE1 3.98Å; W164-Y168 AromaticContact CZ2-CE2 3.47Å; W164-Y168 HydrophobicContact CZ2-CE2 3.47Å; W164-Y168 VanDerWaalsContact CZ2-CE2 3.47Å; W164-Y168 AromaticContact CZ2-CG 3.64Å; W164-Y168 HydrophobicContact CZ2-CG 3.64Å; W164-Y168 AromaticContact CZ2-CZ 3.74Å; W164-Y168 AromaticContact CZ3-CD2 3.98Å; W164-Y168 HydrophobicContact CZ3-CD2 3.98Å; W164-Y168 AromaticContact CZ3-CG 3.86Å; W164-Y168 HydrophobicContact CZ3-CG 3.86Å; W164-Y168 AromaticContact NE1-CD2 3.62Å; W164-Y168 AromaticContact NE1-CE2 3.19Å; W164-Y168 AromaticContact NE1-CZ 3.96Å; W164-Y168 WeakPolarHBondContact O-CD2 3.07Å; W164-Y168 PolarHBondContact O-N 3.04Å; W164-H256 HydrophobicContact CB-CB 4.04Å; W164-H256 HydrophobicContact CG-CB 4.1Å; W164-L261 PolarHBondContact NE1-O 3.45Å; W164-W475 HydrophobicContact CH2-CH2 4.29Å; W164-W475 AromaticContact CH2-CZ2 3.79Å; W164-W475 HydrophobicContact CH2-CZ2 3.79Å; W164-W475 AromaticContact CZ2-CH2 3.65Å; W164-W475 HydrophobicContact CZ2-CH2 3.65Å; W164-W475 AromaticContact CZ2-CZ2 3.55Å; W164-W475 HydrophobicContact CZ2-CZ2 3.55Å; W164-R486 HydrophobicContact CH2-CG 4.13Å; W164-P487 HydrophobicContact CD2-CG 3.75Å; W164-P487 HydrophobicContact CE3-CG 3.89Å; W164-P487 HydrophobicContact CG-CG 4.27Å; W164-P487 HydrophobicContact CH2-CG 4.4Å; W164-P487 HydrophobicContact CZ2-CG 4.24Å; W164-P487 HydrophobicContact CZ3-CG 4.24Å; W164-F489 HydrophobicContact CE3-CE1 4.38Å; W164-F489 AromaticContact CE3-CZ 3.75Å; W164-F489 HydrophobicContact CE3-CZ 3.75Å; W164-F489 HydrophobicContact CH2-CZ 4.37Å; W164-F489 HydrophobicContact CZ3-CE1 4.41Å; W164-F489 HydrophobicContact CZ3-CE2 4.07Å; W164-F489 AromaticContact CZ3-CZ 3.42Å; W164-F489 HydrophobicContact CZ3-CZ 3.42Å; W164-F489 VanDerWaalsContact CZ3-CZ 3.42Å
165	E	90.7	Very high	86.5	Confident	49 Å²	49	57 Å²	57	23%	0.229	29%	0.285	C	S	.	.	H	α-helix	trans	-56.6	-54	176.4	-77.3	173	-162.4	0	0	111.5	R161 R162 W167 Y168 H169 F489	R161-E165 HydrophobicContact CG-CG 4.48Å; R161-E165 VanDerWaalsContact CG-OE1 3.3Å; R161-E165 WeakPolarHBondContact CG-OE1 3.47Å; R161-E165 WeakPolarHBondContact O-CB 3.04Å; R161-E165 VanDerWaalsContact O-CG 3.29Å; R161-E165 WeakPolarHBondContact O-CG 3.03Å; R161-E165 PolarHBondContact O-N 3.07Å; R162-E165 PolarHBondContact O-N 3.26Å; E165-W167 VanDerWaalsContact C-N 3.25Å; E165-W167 PolarHBondContact O-N 3.35Å; E165-Y168 PolarHBondContact O-N 3.06Å; E165-Y168 VanDerWaalsContact O-N 3.15Å; E165-H169 WeakPolarHBondContact O-CA 3.36Å; E165-H169 WeakPolarHBondContact O-CB 3.33Å; E165-H169 PolarHBondContact O-CD2 3.12Å; E165-H169 PolarHBondContact O-N 3.5Å; E165-F489 HydrophobicContact CG-CD1 3.79Å; E165-F489 HydrophobicContact CG-CE1 3.25Å; E165-F489 HydrophobicContact CG-CZ 4.08Å; E165-F489 WeakPolarHBondContact OE1-CD1 3.42Å; E165-F489 WeakPolarHBondContact OE1-CE1 3.38Å
166	E	90.6	Very high	86.8	Confident	43 Å²	43	55.7 Å²	55.7	20%	0.201	29%	0.29	C	S	.	.	H	α-helix	trans	-54.3	-44.8	179.7	-76.8	-88	160.9	0	0	110.4	I127 R131 R162 H169 V170	I127-E166 HydrophobicContact CB-CB 3.96Å; I127-E166 HydrophobicContact CD1-CB 4.42Å; I127-E166 HydrophobicContact CG2-CB 4.06Å; R131-E166 IonicContact CZ-OE1 3.85Å; R131-E166 IonicContact NE-OE1 3.05Å; R131-E166 IonicContact NH2-OE1 2.67Å; R131-E166 PolarHBondContact NH2-OE1 2.75Å; R131-E166 IonicContact NH2-OE2 2.7Å; R131-E166 PolarHBondContact NH2-OE2 2.93Å; R162-E166 HydrophobicContact CG-CG 4.48Å; R162-E166 WeakPolarHBondContact O-CB 3.44Å; R162-E166 WeakPolarHBondContact O-CG 3.46Å; R162-E166 PolarHBondContact O-N 2.78Å; E166-H169 PolarHBondContact O-N 2.79Å; E166-V170 WeakPolarHBondContact O-CG2 3.49Å; E166-V170 PolarHBondContact O-N 3.46Å
167	W	93	Very high	86.9	Confident	4 Å²	4	53 Å²	53	2%	0.015	27%	0.274	C	S	.	.	H	α-helix	trans	-62	-51.7	176.5	179.5	-108.5	0	0	0	112.8	V122 I127 L143 L147 Y163 W164 E165 H169 L261 F262 Q500	V122-W167 HydrophobicContact CG2-CH2 4.43Å; V122-W167 HydrophobicContact CG2-CZ2 4.16Å; V122-W167 WeakPolarHBondContact O-CH2 3.21Å; I127-W167 HydrophobicContact CG2-CB 3.88Å; I127-W167 HydrophobicContact CG2-CE3 3.91Å; L143-W167 HydrophobicContact CB-CH2 3.64Å; L143-W167 HydrophobicContact CB-CZ2 4.4Å; L143-W167 HydrophobicContact CB-CZ3 3.84Å; L143-W167 HydrophobicContact CD1-CH2 3.93Å; L143-W167 HydrophobicContact CD1-CZ2 3.86Å; L143-W167 HydrophobicContact CD1-CZ3 4.28Å; L143-W167 HydrophobicContact CD2-CH2 3.74Å; L143-W167 HydrophobicContact CD2-CZ2 3.8Å; L143-W167 HydrophobicContact CG-CH2 3.95Å; L143-W167 HydrophobicContact CG-CZ2 4.21Å; L143-W167 HydrophobicContact CG-CZ3 4.46Å; L147-W167 HydrophobicContact CD2-CB 4.3Å; L147-W167 HydrophobicContact CD2-CD2 4.01Å; L147-W167 HydrophobicContact CD2-CE3 3.61Å; L147-W167 HydrophobicContact CD2-CG 4.3Å; L147-W167 HydrophobicContact CD2-CZ3 4.29Å; Y163-W167 PolarHBondContact O-N 3.48Å; Y163-W167 VanDerWaalsContact O-N 3.08Å; W164-W167 PolarHBondContact O-N 2.91Å; E165-W167 VanDerWaalsContact C-N 3.25Å; E165-W167 PolarHBondContact O-N 3.35Å; W167-H169 VanDerWaalsContact C-N 3.26Å; W167-H169 PolarHBondContact O-N 3.19Å; W167-L261 HydrophobicContact CB-CD1 4.29Å; W167-L261 HydrophobicContact CB-CD2 4.46Å; W167-L261 HydrophobicContact CD2-CD2 4.17Å; W167-L261 HydrophobicContact CG-CD1 4.42Å; W167-L261 HydrophobicContact CG-CD2 3.89Å; W167-L261 HydrophobicContact CG-CG 4.48Å; W167-F262 AromaticContact NE1-CE1 3.5Å; W167-F262 AromaticContact NE1-CZ 3.98Å; W167-Q500 PolarHBondContact NE1-O 3.28Å
168	Y	90.7	Very high	87	Confident	4 Å²	4	49 Å²	49	2%	0.016	26%	0.257	C	S	.	.	H	α-helix	trans	-73.4	-18.1	-175.4	-80.2	-89	0	0	0	113.2	W164 E165 T172 F262 D497 Q500	W164-Y168 AromaticContact CD1-CE2 3.81Å; W164-Y168 AromaticContact CD2-CD2 3.46Å; W164-Y168 HydrophobicContact CD2-CD2 3.46Å; W164-Y168 VanDerWaalsContact CD2-CD2 3.46Å; W164-Y168 AromaticContact CD2-CE2 3.91Å; W164-Y168 HydrophobicContact CD2-CE2 3.91Å; W164-Y168 HydrophobicContact CD2-CG 4.2Å; W164-Y168 AromaticContact CE2-CD2 3.22Å; W164-Y168 AromaticContact CE2-CE2 3.24Å; W164-Y168 AromaticContact CE2-CG 3.94Å; W164-Y168 AromaticContact CE2-CZ 3.95Å; W164-Y168 AromaticContact CE3-CD2 3.85Å; W164-Y168 HydrophobicContact CE3-CD2 3.85Å; W164-Y168 HydrophobicContact CE3-CG 4.17Å; W164-Y168 AromaticContact CG-CD2 3.98Å; W164-Y168 HydrophobicContact CG-CD2 3.98Å; W164-Y168 HydrophobicContact CG-CE2 4.22Å; W164-Y168 AromaticContact CH2-CD1 3.97Å; W164-Y168 HydrophobicContact CH2-CD1 3.97Å; W164-Y168 AromaticContact CH2-CD2 3.78Å; W164-Y168 HydrophobicContact CH2-CD2 3.78Å; W164-Y168 HydrophobicContact CH2-CE1 4.42Å; W164-Y168 HydrophobicContact CH2-CE2 4.29Å; W164-Y168 AromaticContact CH2-CG 3.59Å; W164-Y168 HydrophobicContact CH2-CG 3.59Å; W164-Y168 AromaticContact CZ2-CD1 3.94Å; W164-Y168 HydrophobicContact CZ2-CD1 3.94Å; W164-Y168 AromaticContact CZ2-CD2 3.39Å; W164-Y168 HydrophobicContact CZ2-CD2 3.39Å; W164-Y168 AromaticContact CZ2-CE1 3.98Å; W164-Y168 HydrophobicContact CZ2-CE1 3.98Å; W164-Y168 AromaticContact CZ2-CE2 3.47Å; W164-Y168 HydrophobicContact CZ2-CE2 3.47Å; W164-Y168 VanDerWaalsContact CZ2-CE2 3.47Å; W164-Y168 AromaticContact CZ2-CG 3.64Å; W164-Y168 HydrophobicContact CZ2-CG 3.64Å; W164-Y168 AromaticContact CZ2-CZ 3.74Å; W164-Y168 AromaticContact CZ3-CD2 3.98Å; W164-Y168 HydrophobicContact CZ3-CD2 3.98Å; W164-Y168 AromaticContact CZ3-CG 3.86Å; W164-Y168 HydrophobicContact CZ3-CG 3.86Å; W164-Y168 AromaticContact NE1-CD2 3.62Å; W164-Y168 AromaticContact NE1-CE2 3.19Å; W164-Y168 AromaticContact NE1-CZ 3.96Å; W164-Y168 WeakPolarHBondContact O-CD2 3.07Å; W164-Y168 PolarHBondContact O-N 3.04Å; E165-Y168 PolarHBondContact O-N 3.06Å; E165-Y168 VanDerWaalsContact O-N 3.15Å; Y168-T172 WeakPolarHBondContact O-CG2 3.43Å; Y168-T172 PolarHBondContact O-OG1 3.44Å; Y168-F262 WeakPolarHBondContact OH-CD1 3.43Å; Y168-D497 HydrophobicContact CD1-CB 3.44Å; Y168-D497 VanDerWaalsContact CD1-CB 3.44Å; Y168-D497 HydrophobicContact CE1-CB 3.64Å; Y168-D497 WeakPolarHBondContact CE1-O 3.01Å; Y168-Q500 HydrophobicContact CD1-CB 3.77Å; Y168-Q500 HydrophobicContact CD1-CG 4.15Å; Y168-Q500 HydrophobicContact CE1-CB 3.93Å; Y168-Q500 HydrophobicContact CG-CB 4.38Å
169	H	82.1	Confident	87.2	Confident	73 Å²	73	49.4 Å²	49.4	34%	0.338	25%	0.25	S	C	.	.	H	α-helix	trans	-90.6	-29.8	-179.1	-69.3	-171.1	0	0	0	114.2	E165 E166 W167 K171 T172 Y493	E165-H169 WeakPolarHBondContact O-CA 3.36Å; E165-H169 WeakPolarHBondContact O-CB 3.33Å; E165-H169 PolarHBondContact O-CD2 3.12Å; E165-H169 PolarHBondContact O-N 3.5Å; E166-H169 PolarHBondContact O-N 2.79Å; W167-H169 VanDerWaalsContact C-N 3.26Å; W167-H169 PolarHBondContact O-N 3.19Å; H169-K171 PolarHBondContact O-N 2.91Å; H169-T172 VanDerWaalsContact C-OG1 3.28Å; H169-T172 WeakPolarHBondContact CA-OG1 3.3Å; H169-T172 PolarHBondContact O-N 3.36Å; H169-T172 PolarHBondContact O-OG1 3.29Å; H169-Y493 AromaticContact CD2-CE1 3.85Å; H169-Y493 AromaticContact CD2-CE2 3.25Å; H169-Y493 WeakPolarHBondContact CD2-CE2 2.91Å; H169-Y493 AromaticContact CD2-CZ 3.15Å; H169-Y493 PolarHBondContact CD2-OH 2.89Å; H169-Y493 VanDerWaalsContact CD2-OH 3.23Å; H169-Y493 AromaticContact CE1-CE1 3.81Å; H169-Y493 AromaticContact CE1-CZ 3.92Å; H169-Y493 AromaticContact NE2-CD1 3.8Å; H169-Y493 AromaticContact NE2-CE1 3.04Å; H169-Y493 WeakPolarHBondContact NE2-CE1 3.37Å; H169-Y493 AromaticContact NE2-CE2 3.4Å; H169-Y493 WeakPolarHBondContact NE2-CE2 3.31Å; H169-Y493 AromaticContact NE2-CZ 2.83Å; H169-Y493 PolarHBondContact NE2-OH 3.38Å
170	V	68.2	Low	87.4	Confident	73 Å²	73	46.2 Å²	46.2	44%	0.442	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-29.1	-165.9	172.6	0	0	0	0	113.4	E166	E166-V170 WeakPolarHBondContact O-CG2 3.49Å; E166-V170 PolarHBondContact O-N 3.46Å
171	K	68.3	Low	87.5	Confident	67 Å²	67	45.6 Å²	45.6	29%	0.291	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-137.6	18.3	-174	-52	-161.6	-174.8	179.6	0	115.5	H169 N173 D174 I177	H169-K171 PolarHBondContact O-N 2.91Å; K171-N173 PolarHBondContact O-N 3.37Å; K171-N173 VanDerWaalsContact O-N 3.15Å; K171-D174 HydrophobicContact CB-CB 4.18Å; K171-D174 VanDerWaalsContact O-CB 3.31Å; K171-D174 WeakPolarHBondContact O-CB 3.45Å; K171-D174 PolarHBondContact O-N 2.99Å; K171-I177 HydrophobicContact CB-CD1 3.88Å; K171-I177 HydrophobicContact CD-CD1 3.21Å; K171-I177 HydrophobicContact CG-CD1 4.15Å
172	T	67	Low	87.7	Confident	8 Å²	8	43.6 Å²	43.6	5%	0.049	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-20.8	-161.5	-17.3	0	0	0	0	115.3	Y168 H169 V496	Y168-T172 WeakPolarHBondContact O-CG2 3.43Å; Y168-T172 PolarHBondContact O-OG1 3.44Å; H169-T172 VanDerWaalsContact C-OG1 3.28Å; H169-T172 WeakPolarHBondContact CA-OG1 3.3Å; H169-T172 PolarHBondContact O-N 3.36Å; H169-T172 PolarHBondContact O-OG1 3.29Å; T172-V496 HydrophobicContact CG2-CB 4.3Å
173	N	71.4	Confident	87.9	Confident	111 Å²	111	45.9 Å²	45.9	59%	0.594	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-116.8	21.5	173.3	-68.5	-55.7	0	0	0	112.1	K171 T175 R494	K171-N173 PolarHBondContact O-N 3.37Å; K171-N173 VanDerWaalsContact O-N 3.15Å; N173-T175 PolarHBondContact O-N 3.01Å; N173-R494 PolarHBondContact ND2-O 2.93Å; N173-R494 VanDerWaalsContact ND2-O 3.17Å
174	D	85.9	Confident	88.1	Confident	58 Å²	58	45.1 Å²	45.1	31%	0.31	23%	0.231	S	C	.	.			trans	-70.7	97.5	175.2	-173.3	-19.9	0	0	0	109.8	K171 V176 I177 L178	K171-D174 HydrophobicContact CB-CB 4.18Å; K171-D174 VanDerWaalsContact O-CB 3.31Å; K171-D174 WeakPolarHBondContact O-CB 3.45Å; K171-D174 PolarHBondContact O-N 2.99Å; D174-V176 PolarHBondContact O-N 3.22Å; D174-V176 VanDerWaalsContact O-N 3.08Å; D174-V176 VanDerWaalsContact OD1-CB 3.29Å; D174-V176 WeakPolarHBondContact OD1-CB 3.34Å; D174-V176 PolarHBondContact OD1-N 3.03Å; D174-I177 HydrophobicContact CB-CB 4.2Å; D174-I177 HydrophobicContact CB-CD1 4.14Å; D174-I177 HydrophobicContact CB-CG1 4.3Å; D174-I177 PolarHBondContact O-N 3.35Å; D174-I177 PolarHBondContact OD1-N 3.42Å; D174-L178 WeakPolarHBondContact O-CG 3.31Å; D174-L178 PolarHBondContact O-N 3.1Å
175	T	89.3	Confident	88.3	Confident	95 Å²	95	45.1 Å²	45.1	58%	0.583	23%	0.231	S	C	*	.	H	α-helix	trans	-55.9	-25.9	-179.9	60.6	0	0	0	0	113.5	N173 N179	N173-T175 PolarHBondContact O-N 3.01Å; T175-N179 VanDerWaalsContact O-CB 3.24Å; T175-N179 WeakPolarHBondContact O-CB 3.02Å; T175-N179 PolarHBondContact O-N 3.21Å; T175-N179 PolarHBondContact O-ND2 3.43Å
176	V	92.1	Very high	88.6	Confident	83 Å²	83	45.7 Å²	45.7	50%	0.503	23%	0.233	S	C	.	.	H	α-helix	trans	-69.6	-47.9	176.4	179.7	0	0	0	0	110	D174 N179 N180	D174-V176 PolarHBondContact O-N 3.22Å; D174-V176 VanDerWaalsContact O-N 3.08Å; D174-V176 VanDerWaalsContact OD1-CB 3.29Å; D174-V176 WeakPolarHBondContact OD1-CB 3.34Å; D174-V176 PolarHBondContact OD1-N 3.03Å; V176-N179 PolarHBondContact O-N 2.68Å; V176-N180 WeakPolarHBondContact O-CB 3.34Å; V176-N180 VanDerWaalsContact O-CG 3.22Å; V176-N180 PolarHBondContact O-N 3.48Å
177	I	92.6	Very high	89	Confident	26 Å²	26	44.3 Å²	44.3	13%	0.133	23%	0.226	C	C	.	.	H	α-helix	trans	-65	-44.9	179.1	-70.5	175.4	0	0	0	111.1	M119 K171 D174 N179 N180 F181 L499	M119-I177 HydrophobicContact CE-CG2 3.81Å; M119-I177 HydrophobicContact SD-CG2 3.99Å; K171-I177 HydrophobicContact CB-CD1 3.88Å; K171-I177 HydrophobicContact CD-CD1 3.21Å; K171-I177 HydrophobicContact CG-CD1 4.15Å; D174-I177 HydrophobicContact CB-CB 4.2Å; D174-I177 HydrophobicContact CB-CD1 4.14Å; D174-I177 HydrophobicContact CB-CG1 4.3Å; D174-I177 PolarHBondContact O-N 3.35Å; D174-I177 PolarHBondContact OD1-N 3.42Å; I177-N179 VanDerWaalsContact C-N 3.33Å; I177-N179 PolarHBondContact O-N 3.18Å; I177-N180 PolarHBondContact O-N 2.95Å; I177-F181 PolarHBondContact O-N 3.27Å; I177-L499 HydrophobicContact CG2-CD1 4.35Å
178	L	94.2	Very high	89.2	Confident	16 Å²	16	47.6 Å²	47.6	8%	0.084	24%	0.239	C	C	.	.	H	α-helix	trans	-58.3	-46.3	176.8	-62.6	-176.8	0	0	0	111.1	D174 F181 E182 W467 V496 L499	D174-L178 WeakPolarHBondContact O-CG 3.31Å; D174-L178 PolarHBondContact O-N 3.1Å; L178-F181 PolarHBondContact O-N 3.11Å; L178-E182 PolarHBondContact O-N 3.47Å; L178-W467 HydrophobicContact CB-CD2 4.46Å; L178-W467 HydrophobicContact CB-CH2 4.24Å; L178-W467 HydrophobicContact CB-CZ2 3.69Å; L178-W467 HydrophobicContact CD1-CD2 4.43Å; L178-W467 HydrophobicContact CD1-CG 4.28Å; L178-W467 HydrophobicContact CD2-CD2 3.92Å; L178-W467 HydrophobicContact CD2-CE3 3.99Å; L178-W467 HydrophobicContact CD2-CG 4.41Å; L178-W467 HydrophobicContact CD2-CH2 4.4Å; L178-W467 HydrophobicContact CD2-CZ2 4.39Å; L178-W467 HydrophobicContact CD2-CZ3 4.22Å; L178-W467 HydrophobicContact CG-CD2 4.49Å; L178-W467 WeakPolarHBondContact O-CH2 3.43Å; L178-W467 WeakPolarHBondContact O-CZ2 3.36Å; L178-V496 HydrophobicContact CD2-CB 4.19Å; L178-V496 HydrophobicContact CD2-CG1 4.12Å; L178-V496 HydrophobicContact CD2-CG2 3.89Å; L178-L499 HydrophobicContact CD2-CD1 3.62Å
179	N	95.5	Very high	89.5	Confident	74 Å²	74	48 Å²	48	40%	0.396	24%	0.241	S	C	.	.	H	α-helix	trans	-66.4	-38.5	177.4	-72.2	-27.3	0	0	0	112.5	T175 V176 I177 E182 R183	T175-N179 VanDerWaalsContact O-CB 3.24Å; T175-N179 WeakPolarHBondContact O-CB 3.02Å; T175-N179 PolarHBondContact O-N 3.21Å; T175-N179 PolarHBondContact O-ND2 3.43Å; V176-N179 PolarHBondContact O-N 2.68Å; I177-N179 VanDerWaalsContact C-N 3.33Å; I177-N179 PolarHBondContact O-N 3.18Å; N179-E182 PolarHBondContact O-N 3.48Å; N179-R183 WeakPolarHBondContact O-CB 3.02Å; N179-R183 WeakPolarHBondContact O-CD 3.37Å; N179-R183 WeakPolarHBondContact O-CG 3.47Å; N179-R183 PolarHBondContact O-N 3.09Å
180	N	96.6	Very high	90.2	Very high	18 Å²	18	48.7 Å²	48.7	10%	0.096	25%	0.248	C	C	.	.	H	α-helix	trans	-64.5	-44.9	177.8	-76.6	-13.7	0	0	0	111.4	V115 E118 M119 V176 I177 R183 M184	V115-N180 HydrophobicContact CB-CB 4.32Å; V115-N180 HydrophobicContact CG1-CB 4.49Å; E118-N180 WeakPolarHBondContact CB-ND2 3.31Å; M119-N180 HydrophobicContact CG-CB 4.36Å; M119-N180 HydrophobicContact SD-CB 3.83Å; V176-N180 WeakPolarHBondContact O-CB 3.34Å; V176-N180 VanDerWaalsContact O-CG 3.22Å; V176-N180 PolarHBondContact O-N 3.48Å; I177-N180 PolarHBondContact O-N 2.95Å; N180-R183 PolarHBondContact O-N 3.04Å; N180-M184 VanDerWaalsContact O-CB 3.31Å; N180-M184 WeakPolarHBondContact O-CB 3.09Å; N180-M184 PolarHBondContact O-N 2.91Å
181	F	96.5	Very high	91.5	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-61.6	-46.3	175.6	-174.8	-100.6	0	0	0	111.6	M119 I177 L178 R183 M184 V185 F455 F465 W467 F498 L499 I504 L507	M119-F181 HydrophobicContact CE-CB 3.92Å; M119-F181 HydrophobicContact CE-CD2 4.01Å; M119-F181 HydrophobicContact CE-CG 4.41Å; M119-F181 HydrophobicContact SD-CB 3.97Å; I177-F181 PolarHBondContact O-N 3.27Å; L178-F181 PolarHBondContact O-N 3.11Å; F181-R183 VanDerWaalsContact C-N 3.33Å; F181-R183 PolarHBondContact O-N 2.82Å; F181-M184 HydrophobicContact CD2-CE 3.58Å; F181-M184 HydrophobicContact CE2-CE 3.86Å; F181-M184 PolarHBondContact O-N 2.71Å; F181-V185 HydrophobicContact CD1-CG2 4.01Å; F181-V185 HydrophobicContact CE1-CG2 3.65Å; F181-V185 HydrophobicContact CE2-CG2 4.18Å; F181-V185 HydrophobicContact CG-CG2 4.45Å; F181-V185 HydrophobicContact CZ-CG2 3.75Å; F181-V185 WeakPolarHBondContact O-CG2 3.49Å; F181-V185 PolarHBondContact O-N 3.42Å; F181-F455 AromaticContact CE1-CE1 3.83Å; F181-F455 HydrophobicContact CE1-CE1 3.83Å; F181-F455 AromaticContact CE1-CZ 3.9Å; F181-F455 HydrophobicContact CE1-CZ 3.9Å; F181-F455 HydrophobicContact CZ-CE1 4.04Å; F181-F465 HydrophobicContact CD1-CE2 4.37Å; F181-F465 HydrophobicContact CE1-CE2 4.48Å; F181-W467 HydrophobicContact CB-CH2 4.38Å; F181-W467 AromaticContact CD1-CH2 3.91Å; F181-W467 HydrophobicContact CD1-CH2 3.91Å; F181-W467 AromaticContact CD1-CZ3 3.85Å; F181-W467 HydrophobicContact CD1-CZ3 3.85Å; F181-W467 HydrophobicContact CE1-CZ3 4.49Å; F181-F498 AromaticContact CE1-CE2 4Å; F181-F498 HydrophobicContact CE1-CE2 4Å; F181-F498 HydrophobicContact CZ-CE2 4.27Å; F181-L499 HydrophobicContact CB-CD1 4.33Å; F181-L499 HydrophobicContact CB-CD2 4.12Å; F181-L499 HydrophobicContact CD1-CD2 3.82Å; F181-L499 HydrophobicContact CD2-CD2 3.38Å; F181-L499 HydrophobicContact CE1-CD2 4.01Å; F181-L499 HydrophobicContact CE2-CD2 3.61Å; F181-L499 HydrophobicContact CG-CD1 4.44Å; F181-L499 HydrophobicContact CG-CD2 3.49Å; F181-L499 VanDerWaalsContact CG-CD2 3.49Å; F181-L499 HydrophobicContact CZ-CD2 3.91Å; F181-I504 WeakPolarHBondContact CE2-O 3.41Å; F181-L507 HydrophobicContact CE2-CD2 4.07Å; F181-L507 HydrophobicContact CE2-CG 4.18Å; F181-L507 HydrophobicContact CZ-CD2 4.03Å
182	E	96.8	Very high	92.8	Very high	19 Å²	19	42 Å²	42	9%	0.089	21%	0.213	C	C	.	.	H	α-helix	trans	-59.4	-43.5	177.8	-175.9	176	147.3	0	0	112.1	L178 N179 K186 F465 W467	L178-E182 PolarHBondContact O-N 3.47Å; N179-E182 PolarHBondContact O-N 3.48Å; E182-K186 HydrophobicContact CG-CD 4.15Å; E182-K186 WeakPolarHBondContact O-CB 3.49Å; E182-K186 WeakPolarHBondContact O-CG 3.41Å; E182-K186 PolarHBondContact O-N 3.03Å; E182-K186 WeakPolarHBondContact OE1-CE 3.17Å; E182-K186 IonicContact OE1-NZ 2.78Å; E182-K186 PolarHBondContact OE1-NZ 3.32Å; E182-F465 HydrophobicContact CB-CD2 3.83Å; E182-F465 HydrophobicContact CB-CE2 3.9Å; E182-F465 HydrophobicContact CB-CG 4.43Å; E182-F465 HydrophobicContact CG-CD1 4.17Å; E182-F465 HydrophobicContact CG-CD2 3.76Å; E182-F465 HydrophobicContact CG-CE1 4.2Å; E182-F465 HydrophobicContact CG-CE2 3.79Å; E182-F465 HydrophobicContact CG-CG 3.95Å; E182-F465 HydrophobicContact CG-CZ 4Å; E182-F465 PolarHBondContact OE2-N 3.14Å; E182-W467 HydrophobicContact CB-CH2 4.15Å; E182-W467 HydrophobicContact CB-CZ2 4.09Å
183	R	97	Very high	94.1	Very high	126 Å²	126	44.8 Å²	44.8	48%	0.475	23%	0.229	S	C	.	.	H	α-helix	trans	-65.4	-44.1	176.6	-70.5	166.2	90.2	162.6	8.5	111.5	E111 V115 N179 N180 F181 K186 L187	E111-R183 IonicContact OE1-CZ 3.11Å; E111-R183 IonicContact OE1-NE 2.64Å; E111-R183 PolarHBondContact OE1-NE 3.35Å; E111-R183 IonicContact OE1-NH2 2.73Å; E111-R183 PolarHBondContact OE1-NH2 3.12Å; V115-R183 HydrophobicContact CG1-CB 4.39Å; N179-R183 WeakPolarHBondContact O-CB 3.02Å; N179-R183 WeakPolarHBondContact O-CD 3.37Å; N179-R183 WeakPolarHBondContact O-CG 3.47Å; N179-R183 PolarHBondContact O-N 3.09Å; N180-R183 PolarHBondContact O-N 3.04Å; F181-R183 VanDerWaalsContact C-N 3.33Å; F181-R183 PolarHBondContact O-N 2.82Å; R183-K186 PolarHBondContact O-N 2.78Å; R183-L187 WeakPolarHBondContact O-CB 3.37Å; R183-L187 VanDerWaalsContact O-CG 3.27Å; R183-L187 WeakPolarHBondContact O-CG 3.34Å; R183-L187 PolarHBondContact O-N 3.19Å
184	M	97.7	Very high	95.2	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-57.4	-51.1	177.1	-174	-178.9	60.8	0	0	111.1	L112 V115 M119 N180 F181 K186 L187 Y188 A505 L507	L112-M184 HydrophobicContact CD1-CG 3.89Å; V115-M184 HydrophobicContact CB-CB 4.49Å; V115-M184 HydrophobicContact CG2-CB 3.67Å; V115-M184 HydrophobicContact CG2-CG 4.19Å; M119-M184 HydrophobicContact CB-SD 4.43Å; M119-M184 HydrophobicContact CG-CE 4.11Å; M119-M184 HydrophobicContact CG-SD 4.2Å; N180-M184 VanDerWaalsContact O-CB 3.31Å; N180-M184 WeakPolarHBondContact O-CB 3.09Å; N180-M184 PolarHBondContact O-N 2.91Å; F181-M184 HydrophobicContact CD2-CE 3.58Å; F181-M184 HydrophobicContact CE2-CE 3.86Å; F181-M184 PolarHBondContact O-N 2.71Å; M184-K186 PolarHBondContact O-N 3.19Å; M184-L187 PolarHBondContact O-N 3.5Å; M184-Y188 HydrophobicContact CG-CD2 3.91Å; M184-Y188 HydrophobicContact CG-CE2 4.01Å; M184-Y188 WeakPolarHBondContact O-CD2 3.29Å; M184-Y188 PolarHBondContact O-N 3.44Å; M184-A505 WeakPolarHBondContact CE-O 3.21Å; M184-L507 HydrophobicContact CE-CB 4.35Å; M184-L507 HydrophobicContact CE-CD1 3.59Å; M184-L507 HydrophobicContact CE-CG 3.59Å; M184-L507 HydrophobicContact CG-CD1 4.09Å; M184-L507 HydrophobicContact SD-CD1 4.32Å
185	V	98.1	Very high	95.5	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-59.8	-46.3	178.5	174.6	0	0	0	0	111.3	F181 L187 Y188 H189 I200 F455 L456 V459 F465 L507	F181-V185 HydrophobicContact CD1-CG2 4.01Å; F181-V185 HydrophobicContact CE1-CG2 3.65Å; F181-V185 HydrophobicContact CE2-CG2 4.18Å; F181-V185 HydrophobicContact CG-CG2 4.45Å; F181-V185 HydrophobicContact CZ-CG2 3.75Å; F181-V185 WeakPolarHBondContact O-CG2 3.49Å; F181-V185 PolarHBondContact O-N 3.42Å; V185-L187 PolarHBondContact O-N 2.96Å; V185-Y188 PolarHBondContact O-N 2.96Å; V185-H189 WeakPolarHBondContact O-CB 3.46Å; V185-H189 PolarHBondContact O-N 3.1Å; V185-I200 HydrophobicContact CG1-CD1 4.36Å; V185-F455 HydrophobicContact CG1-CE1 4.28Å; V185-F455 HydrophobicContact CG1-CZ 4.1Å; V185-F455 HydrophobicContact CG2-CE1 4.08Å; V185-F455 HydrophobicContact CG2-CZ 4.15Å; V185-L456 HydrophobicContact CG1-CD2 3.95Å; V185-V459 HydrophobicContact CG1-CB 4.41Å; V185-V459 HydrophobicContact CG1-CG1 4.03Å; V185-V459 HydrophobicContact CG1-CG2 3.46Å; V185-V459 VanDerWaalsContact CG1-CG2 3.46Å; V185-F465 HydrophobicContact CB-CE2 4.03Å; V185-F465 HydrophobicContact CB-CZ 3.96Å; V185-F465 HydrophobicContact CG1-CE2 4.21Å; V185-F465 HydrophobicContact CG1-CZ 3.77Å; V185-F465 HydrophobicContact CG2-CE2 4.19Å; V185-L507 HydrophobicContact CB-CD1 4.41Å; V185-L507 HydrophobicContact CG2-CD1 3.72Å; V185-L507 HydrophobicContact CG2-CD2 4.02Å; V185-L507 HydrophobicContact CG2-CG 4.3Å
186	K	97.5	Very high	95.7	Very high	61 Å²	61	43.5 Å²	43.5	27%	0.265	22%	0.222	S	C	.	.	H	α-helix	trans	-63.7	-40.2	179.3	-75.9	174.9	172.5	174.6	0	112.5	E182 R183 M184 H189 N190 V459 K463	E182-K186 HydrophobicContact CG-CD 4.15Å; E182-K186 WeakPolarHBondContact O-CB 3.49Å; E182-K186 WeakPolarHBondContact O-CG 3.41Å; E182-K186 PolarHBondContact O-N 3.03Å; E182-K186 WeakPolarHBondContact OE1-CE 3.17Å; E182-K186 IonicContact OE1-NZ 2.78Å; E182-K186 PolarHBondContact OE1-NZ 3.32Å; R183-K186 PolarHBondContact O-N 2.78Å; M184-K186 PolarHBondContact O-N 3.19Å; K186-H189 PolarHBondContact O-N 3.08Å; K186-N190 WeakPolarHBondContact O-CB 3.34Å; K186-N190 PolarHBondContact O-N 3.28Å; K186-N190 PolarHBondContact O-ND2 3.18Å; K186-N190 PolarHBondContact O-OD1 3.39Å; K186-V459 HydrophobicContact CG-CG1 4.44Å; K186-K463 PolarHBondContact NZ-O 3.47Å
187	L	97.5	Very high	95.8	Very high	13 Å²	13	41.2 Å²	41.2	7%	0.068	21%	0.205	C	C	.	.	H	α-helix	trans	-66.5	-43.4	176.7	-73.6	165.8	0	0	0	111.7	D108 E111 L112 V115 R183 M184 V185 H189 N190 G191	D108-L187 HydrophobicContact CB-CD2 3.87Å; E111-L187 HydrophobicContact CB-CD1 4.13Å; E111-L187 HydrophobicContact CG-CD1 3.83Å; L112-L187 HydrophobicContact CB-CB 4.19Å; L112-L187 HydrophobicContact CB-CD1 4Å; L112-L187 HydrophobicContact CD1-CB 3.98Å; L112-L187 HydrophobicContact CD2-CB 4.45Å; L112-L187 HydrophobicContact CG-CB 4.44Å; V115-L187 HydrophobicContact CG2-CD1 4.47Å; R183-L187 WeakPolarHBondContact O-CB 3.37Å; R183-L187 VanDerWaalsContact O-CG 3.27Å; R183-L187 WeakPolarHBondContact O-CG 3.34Å; R183-L187 PolarHBondContact O-N 3.19Å; M184-L187 PolarHBondContact O-N 3.5Å; V185-L187 PolarHBondContact O-N 2.96Å; L187-H189 VanDerWaalsContact C-N 3.33Å; L187-H189 PolarHBondContact O-N 3.06Å; L187-N190 PolarHBondContact O-N 3.48Å; L187-G191 PolarHBondContact O-N 2.9Å
188	Y	97.2	Very high	96	Very high	73 Å²	73	44.8 Å²	44.8	29%	0.286	23%	0.228	S	C	.	.	H	α-helix	trans	-61	-41	172.5	-94.7	-71	0	0	0	112.5	M102 L112 M184 V185 G191 S192 L507	M102-Y188 HydrophobicContact CE-CD1 3.5Å; M102-Y188 VanDerWaalsContact CE-CD1 3.5Å; M102-Y188 HydrophobicContact CE-CE1 3.63Å; M102-Y188 HydrophobicContact CE-CG 4.34Å; M102-Y188 HydrophobicContact SD-CD1 3.79Å; M102-Y188 HydrophobicContact SD-CE1 4.36Å; L112-Y188 HydrophobicContact CD1-CD2 3.63Å; L112-Y188 HydrophobicContact CD1-CE2 3.64Å; L112-Y188 HydrophobicContact CD1-CG 4.41Å; L112-Y188 HydrophobicContact CD2-CD2 4.4Å; L112-Y188 HydrophobicContact CD2-CE2 4.35Å; L112-Y188 HydrophobicContact CG-CE2 4.41Å; M184-Y188 HydrophobicContact CG-CD2 3.91Å; M184-Y188 HydrophobicContact CG-CE2 4.01Å; M184-Y188 WeakPolarHBondContact O-CD2 3.29Å; M184-Y188 PolarHBondContact O-N 3.44Å; V185-Y188 PolarHBondContact O-N 2.96Å; Y188-G191 PolarHBondContact O-N 2.91Å; Y188-S192 WeakPolarHBondContact O-CB 3.35Å; Y188-S192 PolarHBondContact O-N 3.01Å; Y188-S192 PolarHBondContact O-OG 3.47Å; Y188-L507 HydrophobicContact CD2-CD1 3.76Å; Y188-L507 HydrophobicContact CE2-CD1 4.32Å; Y188-L507 HydrophobicContact CG-CD1 4.44Å
189	H	97.4	Very high	96.1	Very high	12 Å²	12	44.9 Å²	44.9	6%	0.056	23%	0.229	C	C	.	.	H	α-helix	trans	-62.6	-51.1	177	179	82.4	0	0	0	110.9	V185 K186 L187 G191 S192 V193 I200 V459	V185-H189 WeakPolarHBondContact O-CB 3.46Å; V185-H189 PolarHBondContact O-N 3.1Å; K186-H189 PolarHBondContact O-N 3.08Å; L187-H189 VanDerWaalsContact C-N 3.33Å; L187-H189 PolarHBondContact O-N 3.06Å; H189-G191 VanDerWaalsContact C-N 3.28Å; H189-G191 PolarHBondContact O-N 3.12Å; H189-S192 WeakPolarHBondContact O-CB 3.23Å; H189-S192 PolarHBondContact O-N 3.25Å; H189-S192 VanDerWaalsContact O-N 3.09Å; H189-V193 WeakPolarHBondContact O-CG2 3.26Å; H189-V193 PolarHBondContact O-N 3.15Å; H189-I200 HydrophobicContact CB-CD1 4.08Å; H189-I200 HydrophobicContact CB-CG1 4.21Å; H189-V459 HydrophobicContact CB-CG1 4.09Å
190	N	96.4	Very high	96.1	Very high	89 Å²	89	41.5 Å²	41.5	48%	0.476	21%	0.21	S	C	.	.	H	α-helix	trans	-58.6	-41.4	177.9	-69.4	-11.7	0	0	0	112	L104 K186 L187 S192 V193 S194	L104-N190 HydrophobicContact CD2-CB 4.27Å; K186-N190 WeakPolarHBondContact O-CB 3.34Å; K186-N190 PolarHBondContact O-N 3.28Å; K186-N190 PolarHBondContact O-ND2 3.18Å; K186-N190 PolarHBondContact O-OD1 3.39Å; L187-N190 PolarHBondContact O-N 3.48Å; N190-S192 VanDerWaalsContact C-N 3.32Å; N190-S192 PolarHBondContact O-N 2.81Å; N190-V193 PolarHBondContact O-N 3.2Å; N190-S194 PolarHBondContact O-N 3.43Å
191	G	95.9	Very high	96.2	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-69.7	-27.7	177.9	0	0	0	0	0	113.8	M102 L187 Y188 H189 S194	M102-G191 VanDerWaalsContact CB-O 3.32Å; M102-G191 WeakPolarHBondContact CB-O 3.23Å; M102-G191 WeakPolarHBondContact CG-O 3.29Å; M102-G191 VanDerWaalsContact SD-C 3.56Å; L187-G191 PolarHBondContact O-N 2.9Å; Y188-G191 PolarHBondContact O-N 2.91Å; H189-G191 VanDerWaalsContact C-N 3.28Å; H189-G191 PolarHBondContact O-N 3.12Å; G191-S194 PolarHBondContact O-OG 3.23Å
192	S	95.7	Very high	96.1	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-72.6	-47.9	172.2	-58	0	0	0	0	110.3	Y188 H189 N190 S194 M195 Y197	Y188-S192 WeakPolarHBondContact O-CB 3.35Å; Y188-S192 PolarHBondContact O-N 3.01Å; Y188-S192 PolarHBondContact O-OG 3.47Å; H189-S192 WeakPolarHBondContact O-CB 3.23Å; H189-S192 PolarHBondContact O-N 3.25Å; H189-S192 VanDerWaalsContact O-N 3.09Å; N190-S192 VanDerWaalsContact C-N 3.32Å; N190-S192 PolarHBondContact O-N 2.81Å; S192-S194 VanDerWaalsContact C-N 3.27Å; S192-S194 PolarHBondContact O-N 3.03Å; S192-M195 WeakPolarHBondContact O-CA 3.23Å; S192-M195 PolarHBondContact O-N 3.27Å; S192-Y197 WeakPolarHBondContact O-CB 3.47Å; S192-Y197 WeakPolarHBondContact O-CD2 3.39Å; S192-Y197 PolarHBondContact O-N 2.9Å
193	V	95.6	Very high	96	Very high	65 Å²	65	42.8 Å²	42.8	39%	0.394	22%	0.218	S	C	.	.	H	α-helix	trans	-62.3	-33.7	178.7	175.1	0	0	0	0	112.2	H189 N190 M195 N196 Y197	H189-V193 WeakPolarHBondContact O-CG2 3.26Å; H189-V193 PolarHBondContact O-N 3.15Å; N190-V193 PolarHBondContact O-N 3.2Å; V193-M195 PolarHBondContact O-N 3.35Å; V193-M195 VanDerWaalsContact O-N 3.12Å; V193-N196 PolarHBondContact O-N 2.99Å; V193-Y197 WeakPolarHBondContact CA-O 3.44Å
194	S	94.1	Very high	95.8	Very high	50 Å²	50	37.9 Å²	37.9	35%	0.35	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-15.3	175.5	73.5	0	0	0	0	113.9	V103 N190 G191 S192	V103-S194 PolarHBondContact N-OG 3.05Å; V103-S194 WeakPolarHBondContact O-CB 3.42Å; V103-S194 PolarHBondContact O-OG 3.35Å; N190-S194 PolarHBondContact O-N 3.43Å; G191-S194 PolarHBondContact O-OG 3.23Å; S192-S194 VanDerWaalsContact C-N 3.27Å; S192-S194 PolarHBondContact O-N 3.03Å
195	M	92.6	Very high	95.6	Very high	28 Å²	28	39.3 Å²	39.3	14%	0.138	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	20.1	174	-66.4	-56.9	-59.5	0	0	113.1	V76 R98 V103 S192 V193 Y197	V76-M195 HydrophobicContact CG1-CE 3.58Å; V76-M195 HydrophobicContact CG1-SD 3.84Å; R98-M195 HydrophobicContact CB-CE 4.03Å; V103-M195 HydrophobicContact CB-SD 4.18Å; V103-M195 HydrophobicContact CG2-SD 3.42Å; V103-M195 WeakPolarHBondContact CG2-SD 3.24Å; S192-M195 WeakPolarHBondContact O-CA 3.23Å; S192-M195 PolarHBondContact O-N 3.27Å; V193-M195 PolarHBondContact O-N 3.35Å; V193-M195 VanDerWaalsContact O-N 3.12Å; M195-Y197 HydrophobicContact CB-CD2 3.69Å; M195-Y197 HydrophobicContact CB-CE2 3.7Å; M195-Y197 PolarHBondContact O-N 3.42Å
196	N	92.2	Very high	95.2	Very high	160 Å²	160	40.2 Å²	40.2	86%	0.856	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.8	17.9	-178.1	-64.3	-25.6	0	0	0	115.5	V193	V193-N196 PolarHBondContact O-N 2.99Å
197	Y	94.5	Very high	94.9	Very high	34 Å²	34	41.3 Å²	41.3	13%	0.133	22%	0.217	C	C	.	.			trans	-76.6	150.1	165.9	-63.5	-66.6	0	0	0	110.2	S192 V193 M195 D199 S202 R203 D206	S192-Y197 WeakPolarHBondContact O-CB 3.47Å; S192-Y197 WeakPolarHBondContact O-CD2 3.39Å; S192-Y197 PolarHBondContact O-N 2.9Å; V193-Y197 WeakPolarHBondContact CA-O 3.44Å; M195-Y197 HydrophobicContact CB-CD2 3.69Å; M195-Y197 HydrophobicContact CB-CE2 3.7Å; M195-Y197 PolarHBondContact O-N 3.42Å; Y197-D199 VanDerWaalsContact C-N 3.31Å; Y197-S202 WeakPolarHBondContact CB-OG 3.41Å; Y197-R203 HydrophobicContact CD1-CB 4.05Å; Y197-R203 HydrophobicContact CD2-CB 3.73Å; Y197-R203 HydrophobicContact CD2-CG 3.85Å; Y197-R203 HydrophobicContact CE1-CB 4.35Å; Y197-R203 HydrophobicContact CE2-CB 4.06Å; Y197-R203 HydrophobicContact CE2-CG 3.72Å; Y197-R203 HydrophobicContact CG-CB 3.74Å; Y197-R203 HydrophobicContact CG-CG 4.34Å; Y197-D206 HydrophobicContact CE1-CB 3.74Å; Y197-D206 PolarHBondContact OH-OD2 3.3Å
198	T	96.5	Very high	94.6	Very high	102 Å²	102	41.5 Å²	41.5	63%	0.626	22%	0.217	S	C	*	.	S	Bend	trans	-71.7	-31.8	177.3	55.6	0	0	0	0	112	S202	T198-S202 PolarHBondContact N-OG 2.91Å; T198-S202 WeakPolarHBondContact OG1-CB 3.47Å; T198-S202 PolarHBondContact OG1-OG 3.36Å
199	D	96.6	Very high	94	Very high	18 Å²	18	43.8 Å²	43.8	10%	0.096	23%	0.225	C	C	.	.	S	Bend	trans	-168.6	-177.8	-174.7	52.3	64.5	0	0	0	109.6	Y197 V201 S202 R203	Y197-D199 VanDerWaalsContact C-N 3.31Å; D199-V201 VanDerWaalsContact C-N 3.28Å; D199-V201 PolarHBondContact O-N 3.46Å; D199-V201 VanDerWaalsContact OD1-CA 3.28Å; D199-V201 WeakPolarHBondContact OD1-CA 3.19Å; D199-V201 WeakPolarHBondContact OD1-CB 3.29Å; D199-V201 PolarHBondContact OD1-N 3.25Å; D199-S202 PolarHBondContact N-OG 2.83Å; D199-S202 PolarHBondContact O-OG 3.11Å; D199-S202 PolarHBondContact OD1-N 2.91Å; D199-R203 PolarHBondContact O-N 3.15Å
200	I	96.7	Very high	93.2	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.01	22%	0.224	C	C	.	.	H	α-helix	trans	-62.4	-35.9	178.6	-60.7	165.2	0	0	0	111.4	V185 H189 R203 W204 L456	V185-I200 HydrophobicContact CG1-CD1 4.36Å; H189-I200 HydrophobicContact CB-CD1 4.08Å; H189-I200 HydrophobicContact CB-CG1 4.21Å; I200-R203 WeakPolarHBondContact O-CB 3.5Å; I200-R203 PolarHBondContact O-N 3.28Å; I200-W204 HydrophobicContact CG2-CD2 4.09Å; I200-W204 VanDerWaalsContact CG2-CE2 3.48Å; I200-W204 HydrophobicContact CG2-CH2 4.37Å; I200-W204 HydrophobicContact CG2-CZ2 3.66Å; I200-W204 PolarHBondContact O-N 3.2Å; I200-L456 HydrophobicContact CB-CB 4.46Å; I200-L456 HydrophobicContact CB-CD1 4.34Å; I200-L456 HydrophobicContact CD1-CD2 3.8Å; I200-L456 HydrophobicContact CG2-CD1 4.04Å
201	V	97	Very high	92.3	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-67.4	-44.3	-176.8	-175.5	0	0	0	0	111	D199 R203 W204 E205 R453 L456 R457	D199-V201 VanDerWaalsContact C-N 3.28Å; D199-V201 PolarHBondContact O-N 3.46Å; D199-V201 VanDerWaalsContact OD1-CA 3.28Å; D199-V201 WeakPolarHBondContact OD1-CA 3.19Å; D199-V201 WeakPolarHBondContact OD1-CB 3.29Å; D199-V201 PolarHBondContact OD1-N 3.25Å; V201-R203 PolarHBondContact O-N 3.4Å; V201-W204 PolarHBondContact O-N 2.85Å; V201-E205 HydrophobicContact CG1-CG 4.48Å; V201-E205 PolarHBondContact O-N 3.4Å; V201-R453 HydrophobicContact CG1-CB 4.16Å; V201-R453 HydrophobicContact CG1-CG 3.76Å; V201-R453 HydrophobicContact CG2-CB 4.08Å; V201-R453 HydrophobicContact CG2-CG 4.14Å; V201-L456 HydrophobicContact CG2-CB 3.74Å; V201-L456 HydrophobicContact CG2-CD1 4.43Å; V201-R457 HydrophobicContact CB-CG 4.34Å; V201-R457 HydrophobicContact CG2-CG 4Å
202	S	95.2	Very high	91.4	Very high	31 Å²	31	46.7 Å²	46.7	22%	0.217	25%	0.245	C	C	.	.	H	α-helix	trans	-61.9	-31.1	176.5	64.3	0	0	0	0	112.7	Y197 T198 D199 D206	Y197-S202 WeakPolarHBondContact CB-OG 3.41Å; T198-S202 PolarHBondContact N-OG 2.91Å; T198-S202 WeakPolarHBondContact OG1-CB 3.47Å; T198-S202 PolarHBondContact OG1-OG 3.36Å; D199-S202 PolarHBondContact N-OG 2.83Å; D199-S202 PolarHBondContact O-OG 3.11Å; D199-S202 PolarHBondContact OD1-N 2.91Å; S202-D206 PolarHBondContact O-N 2.63Å
203	R	93.8	Very high	90.8	Very high	33 Å²	33	51 Å²	51	13%	0.125	26%	0.264	C	S	.	.	H	α-helix	trans	-68.7	-40.7	171.6	-178	-175.9	179	102.2	4.9	112	S99 A101 M102 Y197 D199 I200 V201 D206	S99-R203 PolarHBondContact O-NH2 3.16Å; A101-R203 VanDerWaalsContact C-NH2 3.26Å; A101-R203 VanDerWaalsContact O-CZ 3.28Å; A101-R203 PolarHBondContact O-NH1 3.08Å; A101-R203 PolarHBondContact O-NH2 3.05Å; M102-R203 VanDerWaalsContact CG-NH1 3.31Å; Y197-R203 HydrophobicContact CD1-CB 4.05Å; Y197-R203 HydrophobicContact CD2-CB 3.73Å; Y197-R203 HydrophobicContact CD2-CG 3.85Å; Y197-R203 HydrophobicContact CE1-CB 4.35Å; Y197-R203 HydrophobicContact CE2-CB 4.06Å; Y197-R203 HydrophobicContact CE2-CG 3.72Å; Y197-R203 HydrophobicContact CG-CB 3.74Å; Y197-R203 HydrophobicContact CG-CG 4.34Å; D199-R203 PolarHBondContact O-N 3.15Å; I200-R203 WeakPolarHBondContact O-CB 3.5Å; I200-R203 PolarHBondContact O-N 3.28Å; V201-R203 PolarHBondContact O-N 3.4Å; R203-D206 WeakPolarHBondContact O-CB 3.21Å; R203-D206 PolarHBondContact O-N 2.99Å
204	W	94	Very high	90.1	Very high	24 Å²	24	54.6 Å²	54.6	9%	0.091	28%	0.28	C	S	.	.	H	α-helix	trans	-67.5	-41.7	176.6	-66.6	-9	0	0	0	112.1	I200 V201 D206 Q207 L452 L456 L507 P509	I200-W204 HydrophobicContact CG2-CD2 4.09Å; I200-W204 VanDerWaalsContact CG2-CE2 3.48Å; I200-W204 HydrophobicContact CG2-CH2 4.37Å; I200-W204 HydrophobicContact CG2-CZ2 3.66Å; I200-W204 PolarHBondContact O-N 3.2Å; V201-W204 PolarHBondContact O-N 2.85Å; W204-D206 PolarHBondContact O-N 3.49Å; W204-Q207 WeakPolarHBondContact O-CB 3.43Å; W204-Q207 PolarHBondContact O-N 3.38Å; W204-L452 HydrophobicContact CH2-CD2 3.76Å; W204-L452 HydrophobicContact CH2-CG 4.24Å; W204-L452 HydrophobicContact CZ3-CD2 3.75Å; W204-L452 HydrophobicContact CZ3-CG 4.12Å; W204-L456 HydrophobicContact CE3-CD1 4.39Å; W204-L456 HydrophobicContact CH2-CD1 3.44Å; W204-L456 VanDerWaalsContact CH2-CD1 3.44Å; W204-L456 HydrophobicContact CZ2-CD1 4.14Å; W204-L456 HydrophobicContact CZ3-CD1 3.58Å; W204-L507 WeakPolarHBondContact CZ2-O 3.48Å; W204-P509 HydrophobicContact CD2-CB 4Å; W204-P509 HydrophobicContact CD2-CG 3.9Å; W204-P509 HydrophobicContact CE3-CB 4.04Å; W204-P509 HydrophobicContact CE3-CG 4.38Å; W204-P509 HydrophobicContact CG-CB 4.43Å; W204-P509 HydrophobicContact CG-CG 4.22Å; W204-P509 HydrophobicContact CH2-CG 4.45Å; W204-P509 HydrophobicContact CZ2-CG 3.99Å; W204-P509 HydrophobicContact CZ3-CB 4.31Å
205	E	92.6	Very high	89.7	Confident	30 Å²	30	59.6 Å²	59.6	14%	0.14	30%	0.303	C	S	.	.	H	α-helix	trans	-60	-35	174.3	-74.9	-65.5	120.3	0	0	112.2	V201 Q207 Y208 S217 L218 E219 R453	V201-E205 HydrophobicContact CG1-CG 4.48Å; V201-E205 PolarHBondContact O-N 3.4Å; E205-Q207 PolarHBondContact O-N 3.46Å; E205-Q207 VanDerWaalsContact O-N 3.15Å; E205-Y208 PolarHBondContact O-N 3.06Å; E205-S217 VanDerWaalsContact OE2-CA 3.31Å; E205-S217 WeakPolarHBondContact OE2-CA 2.96Å; E205-S217 WeakPolarHBondContact OE2-CB 3.43Å; E205-S217 PolarHBondContact OE2-OG 3.05Å; E205-L218 WeakPolarHBondContact OE1-CB 3.26Å; E205-L218 PolarHBondContact OE2-N 3.45Å; E205-E219 PolarHBondContact OE1-N 3.48Å; E205-R453 IonicContact OE1-CZ 2.7Å; E205-R453 IonicContact OE1-NH1 2.69Å; E205-R453 PolarHBondContact OE1-NH1 3.26Å; E205-R453 IonicContact OE1-NH2 3.6Å; E205-R453 PolarHBondContact OE1-NH2 3.46Å
206	D	91	Very high	89.6	Confident	20 Å²	20	61 Å²	61	11%	0.107	31%	0.309	C	S	.	.	H	α-helix	trans	-58	-29.1	178	-159.1	78.7	0	0	0	112.8	Y197 S202 R203 W204 Y208 R209	Y197-D206 HydrophobicContact CE1-CB 3.74Å; Y197-D206 PolarHBondContact OH-OD2 3.3Å; S202-D206 PolarHBondContact O-N 2.63Å; R203-D206 WeakPolarHBondContact O-CB 3.21Å; R203-D206 PolarHBondContact O-N 2.99Å; W204-D206 PolarHBondContact O-N 3.49Å; D206-Y208 PolarHBondContact O-N 2.84Å; D206-R209 VanDerWaalsContact O-CB 3.25Å; D206-R209 WeakPolarHBondContact O-CB 3.46Å; D206-R209 PolarHBondContact O-N 2.93Å; D206-R209 VanDerWaalsContact O-N 3.12Å; D206-R209 IonicContact OD1-CZ 3.96Å; D206-R209 IonicContact OD1-NE 2.78Å; D206-R209 IonicContact OD1-NH1 3.78Å; D206-R209 PolarHBondContact OD1-NH1 2.93Å; D206-R209 IonicContact OD1-NH2 2.77Å; D206-R209 PolarHBondContact OD1-NH2 2.02Å; D206-R209 IonicContact OD2-NH1 3.86Å
207	Q	90.1	Very high	89.6	Confident	83 Å²	83	55 Å²	55	39%	0.388	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-13.4	177.6	-55.3	-168	-66.7	0	0	113.7	W204 E205 N390 P391	W204-Q207 WeakPolarHBondContact O-CB 3.43Å; W204-Q207 PolarHBondContact O-N 3.38Å; E205-Q207 PolarHBondContact O-N 3.46Å; E205-Q207 VanDerWaalsContact O-N 3.15Å; Q207-N390 WeakPolarHBondContact O-CB 3.4Å; Q207-P391 HydrophobicContact CB-CG 3.93Å
208	Y	91	Very high	89.6	Confident	17 Å²	17	53.5 Å²	53.5	7%	0.067	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.4	6.7	174.9	-67.7	-93.3	0	0	0	112.3	E205 D206 S210 F216 L218 N390 P391 G392 R512 F515	E205-Y208 PolarHBondContact O-N 3.06Å; D206-Y208 PolarHBondContact O-N 2.84Å; Y208-S210 PolarHBondContact O-N 2.81Å; Y208-F216 HydrophobicContact CD1-CE1 4.31Å; Y208-F216 HydrophobicContact CG-CE1 4.43Å; Y208-F216 WeakPolarHBondContact O-CD1 3.36Å; Y208-L218 HydrophobicContact CD1-CB 4.4Å; Y208-L218 HydrophobicContact CD1-CD2 4.49Å; Y208-L218 HydrophobicContact CD2-CB 4.19Å; Y208-L218 HydrophobicContact CD2-CD2 3.92Å; Y208-L218 HydrophobicContact CE1-CD1 4.37Å; Y208-L218 HydrophobicContact CE1-CD2 4.1Å; Y208-L218 HydrophobicContact CE2-CD2 3.49Å; Y208-L218 VanDerWaalsContact CE2-CD2 3.49Å; Y208-L218 HydrophobicContact CG-CB 4.1Å; Y208-L218 HydrophobicContact CG-CD2 4.41Å; Y208-N390 HydrophobicContact CD1-CB 3.92Å; Y208-N390 HydrophobicContact CE1-CB 4.07Å; Y208-N390 HydrophobicContact CG-CB 4.46Å; Y208-P391 HydrophobicContact CE2-CG 4.3Å; Y208-G392 PolarHBondContact OH-N 3.4Å; Y208-R512 VanDerWaalsContact OH-CA 3.28Å; Y208-R512 WeakPolarHBondContact OH-CA 3.48Å; Y208-R512 WeakPolarHBondContact OH-CB 3.45Å; Y208-F515 HydrophobicContact CD1-CD2 4.4Å; Y208-F515 HydrophobicContact CD1-CE2 4.41Å; Y208-F515 HydrophobicContact CE1-CB 4.36Å; Y208-F515 HydrophobicContact CE1-CD1 4.11Å; Y208-F515 HydrophobicContact CE1-CD2 4.15Å; Y208-F515 HydrophobicContact CE1-CE1 4.43Å; Y208-F515 HydrophobicContact CE1-CE2 4.49Å; Y208-F515 AromaticContact CE1-CG 3.94Å; Y208-F515 HydrophobicContact CE1-CG 3.94Å
209	R	84.9	Confident	89.5	Confident	121 Å²	121	51.5 Å²	51.5	46%	0.457	26%	0.257	S	S	.	.			trans	-56.5	134.9	177.5	176.6	178.5	-76.4	135.5	6.1	110	D206 T565	D206-R209 VanDerWaalsContact O-CB 3.25Å; D206-R209 WeakPolarHBondContact O-CB 3.46Å; D206-R209 PolarHBondContact O-N 2.93Å; D206-R209 VanDerWaalsContact O-N 3.12Å; D206-R209 IonicContact OD1-CZ 3.96Å; D206-R209 IonicContact OD1-NE 2.78Å; D206-R209 IonicContact OD1-NH1 3.78Å; D206-R209 PolarHBondContact OD1-NH1 2.93Å; D206-R209 IonicContact OD1-NH2 2.77Å; D206-R209 PolarHBondContact OD1-NH2 2.02Å; D206-R209 IonicContact OD2-NH1 3.86Å; R209-T565 WeakPolarHBondContact O-CB 3.22Å
210	S	81	Confident	89.4	Confident	6 Å²	6	56.6 Å²	56.6	4%	0.042	28%	0.278	C	S	.	.			trans	-115.5	137.6	173.8	-170.7	0	0	0	0	111.9	Y208 V212 F213 T565 T566	Y208-S210 PolarHBondContact O-N 2.81Å; S210-V212 VanDerWaalsContact C-N 3.28Å; S210-V212 PolarHBondContact OG-N 2.97Å; S210-F213 PolarHBondContact OG-N 2.94Å; S210-F213 VanDerWaalsContact OG-N 3.12Å; S210-T565 VanDerWaalsContact CA-O 3.22Å; S210-T565 WeakPolarHBondContact CA-O 2.86Å; S210-T565 WeakPolarHBondContact CB-O 3.49Å; S210-T565 PolarHBondContact OG-O 2.85Å; S210-T566 WeakPolarHBondContact OG-CG2 3.25Å
211	D	77.4	Confident	89.4	Confident	53 Å²	53	58.3 Å²	58.3	28%	0.283	28%	0.284	S	S	.	.	S	Bend	trans	-80	-13.6	174.9	-56.1	-47.7	0	0	0	111.9	K92 R95 T565	K92-D211 WeakPolarHBondContact CE-OD2 2.97Å; K92-D211 IonicContact NZ-OD2 2.83Å; R95-D211 IonicContact CZ-OD1 3.25Å; R95-D211 IonicContact NH1-OD1 2.95Å; R95-D211 PolarHBondContact NH1-OD1 3.07Å; R95-D211 IonicContact NH1-OD2 3.34Å; R95-D211 IonicContact NH2-OD1 2.68Å; R95-D211 IonicContact NH2-OD2 3.85Å; D211-T565 WeakPolarHBondContact CB-OG1 3.24Å; D211-T565 PolarHBondContact N-OG1 2.78Å; D211-T565 WeakPolarHBondContact OD2-CB 3.42Å; D211-T565 VanDerWaalsContact OD2-CG2 3.23Å; D211-T565 WeakPolarHBondContact OD2-CG2 3.23Å; D211-T565 PolarHBondContact OD2-OG1 2.73Å
212	V	77.8	Confident	89.4	Confident	103 Å²	103	58.5 Å²	58.5	62%	0.624	29%	0.286	S	S	*	.	S	Bend	trans	-103.5	-41.5	173.7	177.8	0	0	0	0	111.2	S210 L214 T566	S210-V212 VanDerWaalsContact C-N 3.28Å; S210-V212 PolarHBondContact OG-N 2.97Å; V212-L214 PolarHBondContact O-N 2.94Å; V212-T566 HydrophobicContact CB-CG2 3.4Å; V212-T566 HydrophobicContact CG1-CG2 4.49Å; V212-T566 HydrophobicContact CG2-CG2 3.45Å; V212-T566 VanDerWaalsContact CG2-CG2 3.45Å
213	F	82	Confident	89.4	Confident	92 Å²	92	60.4 Å²	60.4	40%	0.404	29%	0.294	S	S	.	.			trans	-96.8	71.5	175.1	-54.4	-74	0	0	0	110.2	S210 D215 F216 T566	S210-F213 PolarHBondContact OG-N 2.94Å; S210-F213 VanDerWaalsContact OG-N 3.12Å; F213-D215 PolarHBondContact O-N 3.27Å; F213-D215 VanDerWaalsContact O-N 3.08Å; F213-F216 HydrophobicContact CB-CB 3.9Å; F213-F216 VanDerWaalsContact O-CB 3.3Å; F213-F216 WeakPolarHBondContact O-CB 3.48Å; F213-F216 PolarHBondContact O-N 3.28Å; F213-T566 HydrophobicContact CD2-CG2 4.35Å; F213-T566 HydrophobicContact CE2-CG2 4.48Å
214	L	81.9	Confident	89.6	Confident	139 Å²	139	63.5 Å²	63.5	73%	0.728	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-29.1	-174.5	-62.8	175.1	0	0	0	113.5	V212	V212-L214 PolarHBondContact O-N 2.94Å
215	D	85.3	Confident	89.7	Confident	155 Å²	155	63 Å²	63	83%	0.829	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	11.5	-179.9	-58.8	-40	0	0	0	113.4	F213 S217	F213-D215 PolarHBondContact O-N 3.27Å; F213-D215 VanDerWaalsContact O-N 3.08Å; D215-S217 PolarHBondContact O-N 3.3Å
216	F	90.2	Very high	89.9	Confident	59 Å²	59	62 Å²	62	26%	0.259	31%	0.305	S	S	.	.			trans	-66.4	129.1	176.6	-175	-92.1	0	0	0	110.5	Y208 F213 L218 W221 F515	Y208-F216 HydrophobicContact CD1-CE1 4.31Å; Y208-F216 HydrophobicContact CG-CE1 4.43Å; Y208-F216 WeakPolarHBondContact O-CD1 3.36Å; F213-F216 HydrophobicContact CB-CB 3.9Å; F213-F216 VanDerWaalsContact O-CB 3.3Å; F213-F216 WeakPolarHBondContact O-CB 3.48Å; F213-F216 PolarHBondContact O-N 3.28Å; F216-L218 HydrophobicContact CE1-CB 4.27Å; F216-W221 HydrophobicContact CE2-CB 3.85Å; F216-W221 AromaticContact CE2-CG 3.92Å; F216-W221 HydrophobicContact CE2-CG 3.92Å; F216-W221 HydrophobicContact CZ-CB 4.09Å; F216-W221 HydrophobicContact CZ-CG 4.24Å; F216-F515 HydrophobicContact CZ-CD2 4.37Å; F216-F515 AromaticContact CZ-CE2 3.89Å; F216-F515 HydrophobicContact CZ-CE2 3.89Å
217	S	92	Very high	90.1	Very high	33 Å²	33	66.9 Å²	66.9	23%	0.231	33%	0.326	C	S	.	.			trans	-131.8	130.5	167.7	166.7	0	0	0	0	108	E205 D215 E219 K220 W221	E205-S217 VanDerWaalsContact OE2-CA 3.31Å; E205-S217 WeakPolarHBondContact OE2-CA 2.96Å; E205-S217 WeakPolarHBondContact OE2-CB 3.43Å; E205-S217 PolarHBondContact OE2-OG 3.05Å; D215-S217 PolarHBondContact O-N 3.3Å; S217-E219 VanDerWaalsContact C-N 3.3Å; S217-E219 PolarHBondContact O-N 2.88Å; S217-E219 PolarHBondContact OG-N 2.93Å; S217-K220 PolarHBondContact O-N 2.7Å; S217-K220 PolarHBondContact OG-N 3.08Å; S217-W221 WeakPolarHBondContact O-CB 3.09Å; S217-W221 PolarHBondContact O-N 2.81Å
218	L	93.9	Very high	90.5	Very high	3 Å²	3	70.3 Å²	70.3	2%	0.016	34%	0.339	C	S	.	.	H	α-helix	trans	-61.8	-43.8	177.5	169	66.1	0	0	0	109.9	E205 Y208 F216 K220 W221 A222 F515	E205-L218 WeakPolarHBondContact OE1-CB 3.26Å; E205-L218 PolarHBondContact OE2-N 3.45Å; Y208-L218 HydrophobicContact CD1-CB 4.4Å; Y208-L218 HydrophobicContact CD1-CD2 4.49Å; Y208-L218 HydrophobicContact CD2-CB 4.19Å; Y208-L218 HydrophobicContact CD2-CD2 3.92Å; Y208-L218 HydrophobicContact CE1-CD1 4.37Å; Y208-L218 HydrophobicContact CE1-CD2 4.1Å; Y208-L218 HydrophobicContact CE2-CD2 3.49Å; Y208-L218 VanDerWaalsContact CE2-CD2 3.49Å; Y208-L218 HydrophobicContact CG-CB 4.1Å; Y208-L218 HydrophobicContact CG-CD2 4.41Å; F216-L218 HydrophobicContact CE1-CB 4.27Å; L218-K220 PolarHBondContact O-N 3.3Å; L218-W221 HydrophobicContact CD1-CE3 3.95Å; L218-W221 HydrophobicContact CD1-CZ3 4.13Å; L218-W221 PolarHBondContact O-N 2.98Å; L218-A222 WeakPolarHBondContact O-CB 3.34Å; L218-A222 PolarHBondContact O-N 3.45Å; L218-F515 HydrophobicContact CD1-CB 3.84Å; L218-F515 HydrophobicContact CD1-CD2 3.84Å; L218-F515 HydrophobicContact CD1-CG 4.24Å
219	E	95.4	Very high	90.7	Very high	60 Å²	60	71.6 Å²	71.6	28%	0.28	35%	0.347	S	S	.	.	H	α-helix	trans	-60.1	-46.7	178.7	-177.8	178.2	-158.2	0	0	112.3	E205 S217 A222 N223 R457	E205-E219 PolarHBondContact OE1-N 3.48Å; S217-E219 VanDerWaalsContact C-N 3.3Å; S217-E219 PolarHBondContact O-N 2.88Å; S217-E219 PolarHBondContact OG-N 2.93Å; E219-A222 PolarHBondContact O-N 2.81Å; E219-N223 WeakPolarHBondContact O-CB 3.19Å; E219-N223 PolarHBondContact O-N 3.42Å; E219-R457 IonicContact OE1-CZ 3.91Å; E219-R457 IonicContact OE1-NH1 2.9Å; E219-R457 PolarHBondContact OE1-NH1 3.37Å; E219-R457 IonicContact OE1-NH2 3.46Å; E219-R457 IonicContact OE2-CZ 2.89Å; E219-R457 IonicContact OE2-NH1 3.63Å; E219-R457 PolarHBondContact OE2-NH1 2.63Å; E219-R457 VanDerWaalsContact OE2-NH1 3.15Å; E219-R457 IonicContact OE2-NH2 2.73Å; E219-R457 PolarHBondContact OE2-NH2 2.88Å
220	K	95.2	Very high	91.3	Very high	125 Å²	125	67.7 Å²	67.7	54%	0.543	34%	0.335	S	S	.	.	H	α-helix	trans	-63.8	-47.7	179.1	-175.9	-178	173.4	-172.3	0	111.1	S217 L218 A222 N223 E224	S217-K220 PolarHBondContact O-N 2.7Å; S217-K220 PolarHBondContact OG-N 3.08Å; L218-K220 PolarHBondContact O-N 3.3Å; K220-A222 VanDerWaalsContact C-N 3.34Å; K220-A222 PolarHBondContact O-N 3.39Å; K220-N223 PolarHBondContact O-N 3.38Å; K220-E224 WeakPolarHBondContact CE-OE1 3.22Å; K220-E224 WeakPolarHBondContact O-CG 3.29Å; K220-E224 PolarHBondContact O-N 2.99Å
221	W	95.1	Very high	92.1	Very high	38 Å²	38	71.1 Å²	71.1	14%	0.144	36%	0.357	C	S	.	.	H	α-helix	trans	-63.7	-39.9	179.4	171.4	83.8	0	0	0	112.1	F216 S217 L218 E224 S225 F514 F515 A518 L569	F216-W221 HydrophobicContact CE2-CB 3.85Å; F216-W221 AromaticContact CE2-CG 3.92Å; F216-W221 HydrophobicContact CE2-CG 3.92Å; F216-W221 HydrophobicContact CZ-CB 4.09Å; F216-W221 HydrophobicContact CZ-CG 4.24Å; S217-W221 WeakPolarHBondContact O-CB 3.09Å; S217-W221 PolarHBondContact O-N 2.81Å; L218-W221 HydrophobicContact CD1-CE3 3.95Å; L218-W221 HydrophobicContact CD1-CZ3 4.13Å; L218-W221 PolarHBondContact O-N 2.98Å; W221-E224 PolarHBondContact O-N 3.48Å; W221-S225 VanDerWaalsContact O-CB 3.29Å; W221-S225 WeakPolarHBondContact O-CB 3.39Å; W221-S225 PolarHBondContact O-N 3.48Å; W221-S225 PolarHBondContact O-OG 2.78Å; W221-F514 AromaticContact CH2-CD1 3.81Å; W221-F514 HydrophobicContact CH2-CD1 3.81Å; W221-F514 AromaticContact CH2-CE1 3.94Å; W221-F514 HydrophobicContact CH2-CE1 3.94Å; W221-F514 AromaticContact CZ3-CD1 3.57Å; W221-F514 HydrophobicContact CZ3-CD1 3.57Å; W221-F514 AromaticContact CZ3-CE1 3.94Å; W221-F514 HydrophobicContact CZ3-CE1 3.94Å; W221-F515 HydrophobicContact CE3-CD2 4.1Å; W221-F515 HydrophobicContact CH2-CD2 4.17Å; W221-F515 HydrophobicContact CZ3-CB 4.13Å; W221-F515 AromaticContact CZ3-CD2 3.77Å; W221-F515 HydrophobicContact CZ3-CD2 3.77Å; W221-F515 HydrophobicContact CZ3-CG 4.37Å; W221-A518 HydrophobicContact CH2-CB 3.49Å; W221-A518 VanDerWaalsContact CH2-CB 3.49Å; W221-A518 HydrophobicContact CZ2-CB 3.77Å; W221-L569 HydrophobicContact CD2-CD1 4.5Å; W221-L569 HydrophobicContact CZ2-CD1 4.13Å
222	A	96.6	Very high	93.1	Very high	4 Å²	4	73.4 Å²	73.4	3%	0.033	37%	0.369	C	S	.	.	H	α-helix	trans	-65.4	-40	177.1	0	0	0	0	0	111.2	L218 E219 K220 S225 F226 F446 F514	L218-A222 WeakPolarHBondContact O-CB 3.34Å; L218-A222 PolarHBondContact O-N 3.45Å; E219-A222 PolarHBondContact O-N 2.81Å; K220-A222 VanDerWaalsContact C-N 3.34Å; K220-A222 PolarHBondContact O-N 3.39Å; A222-S225 PolarHBondContact O-N 3.36Å; A222-F226 WeakPolarHBondContact O-CB 3Å; A222-F226 PolarHBondContact O-N 3.43Å; A222-F446 HydrophobicContact CB-CD2 4.03Å; A222-F446 HydrophobicContact CB-CE2 4.25Å; A222-F514 HydrophobicContact CB-CD1 4.31Å
223	N	96.9	Very high	94	Very high	70 Å²	70	68.9 Å²	68.9	37%	0.374	34%	0.341	S	S	.	.	H	α-helix	trans	-63	-46.5	176	-170.3	15.3	0	0	0	112.1	E219 K220 S225 F226 F227 F446	E219-N223 WeakPolarHBondContact O-CB 3.19Å; E219-N223 PolarHBondContact O-N 3.42Å; K220-N223 PolarHBondContact O-N 3.38Å; N223-S225 VanDerWaalsContact C-N 3.3Å; N223-S225 PolarHBondContact O-N 2.64Å; N223-F226 WeakPolarHBondContact O-CB 2.88Å; N223-F226 PolarHBondContact O-N 2.98Å; N223-F227 VanDerWaalsContact O-CD2 3.24Å; N223-F227 WeakPolarHBondContact O-CD2 3.24Å; N223-F227 PolarHBondContact O-N 3.07Å; N223-F227 WeakPolarHBondContact OD1-CE2 3.49Å; N223-F446 HydrophobicContact CB-CE2 4.18Å; N223-F446 HydrophobicContact CB-CZ 4.33Å
224	E	96.5	Very high	94.8	Very high	98 Å²	98	69.9 Å²	69.9	46%	0.458	35%	0.347	S	S	.	.	H	α-helix	trans	-62.2	-39.3	175.2	-69.7	174	-170.8	0	0	112	K220 W221 K228	K220-E224 WeakPolarHBondContact CE-OE1 3.22Å; K220-E224 WeakPolarHBondContact O-CG 3.29Å; K220-E224 PolarHBondContact O-N 2.99Å; W221-E224 PolarHBondContact O-N 3.48Å; E224-K228 WeakPolarHBondContact O-CG 3.3Å; E224-K228 PolarHBondContact O-N 3.4Å
225	S	96	Very high	95.6	Very high	15 Å²	15	70.1 Å²	70.1	11%	0.105	34%	0.344	C	S	.	.	H	α-helix	trans	-71.4	-35.4	179.7	-59.7	0	0	0	0	112.5	W221 A222 N223 F227 K228 L229	W221-S225 VanDerWaalsContact O-CB 3.29Å; W221-S225 WeakPolarHBondContact O-CB 3.39Å; W221-S225 PolarHBondContact O-N 3.48Å; W221-S225 PolarHBondContact O-OG 2.78Å; A222-S225 PolarHBondContact O-N 3.36Å; N223-S225 VanDerWaalsContact C-N 3.3Å; N223-S225 PolarHBondContact O-N 2.64Å; S225-F227 PolarHBondContact O-N 3.01Å; S225-K228 PolarHBondContact O-N 3.34Å; S225-L229 WeakPolarHBondContact O-CG 2.9Å; S225-L229 PolarHBondContact O-N 3.13Å; S225-L229 VanDerWaalsContact O-N 3.13Å
226	F	97.1	Very high	96.1	Very high	7 Å²	7	63.4 Å²	63.4	3%	0.031	31%	0.308	C	S	.	.	H	α-helix	trans	-55	-51.4	173.8	171.3	-93.7	0	0	0	110.9	A222 N223 K228 L229 L230 M443 F446 Y481	A222-F226 WeakPolarHBondContact O-CB 3Å; A222-F226 PolarHBondContact O-N 3.43Å; N223-F226 WeakPolarHBondContact O-CB 2.88Å; N223-F226 PolarHBondContact O-N 2.98Å; F226-K228 VanDerWaalsContact C-N 3.26Å; F226-K228 PolarHBondContact O-N 3.33Å; F226-L229 PolarHBondContact O-N 2.68Å; F226-L229 VanDerWaalsContact O-N 3.07Å; F226-L230 HydrophobicContact CE1-CD1 4.33Å; F226-L230 HydrophobicContact CE1-CD2 4.35Å; F226-L230 HydrophobicContact CZ-CD1 4.01Å; F226-L230 PolarHBondContact O-N 3.44Å; F226-M443 HydrophobicContact CD2-SD 3.38Å; F226-M443 WeakPolarHBondContact CD2-SD 3.43Å; F226-M443 HydrophobicContact CE2-SD 3.4Å; F226-M443 WeakPolarHBondContact CE2-SD 3.15Å; F226-F446 HydrophobicContact CB-CD1 4.07Å; F226-F446 HydrophobicContact CB-CD2 4.13Å; F226-F446 HydrophobicContact CB-CE1 3.95Å; F226-F446 HydrophobicContact CB-CE2 4.04Å; F226-F446 HydrophobicContact CB-CG 4.15Å; F226-F446 HydrophobicContact CB-CZ 3.93Å; F226-F446 HydrophobicContact CD1-CD1 4.47Å; F226-F446 AromaticContact CD1-CE1 3.96Å; F226-F446 HydrophobicContact CD1-CE1 3.96Å; F226-F446 HydrophobicContact CD1-CZ 4.4Å; F226-F446 HydrophobicContact CD2-CB 4.36Å; F226-F446 AromaticContact CD2-CD1 3.27Å; F226-F446 HydrophobicContact CD2-CD1 3.27Å; F226-F446 AromaticContact CD2-CE1 3.62Å; F226-F446 HydrophobicContact CD2-CE1 3.62Å; F226-F446 AromaticContact CD2-CG 3.85Å; F226-F446 HydrophobicContact CD2-CG 3.85Å; F226-F446 HydrophobicContact CD2-CZ 4.44Å; F226-F446 HydrophobicContact CE1-CE1 4.42Å; F226-F446 AromaticContact CE2-CD1 3.79Å; F226-F446 HydrophobicContact CE2-CD1 3.79Å; F226-F446 HydrophobicContact CE2-CE1 4.1Å; F226-F446 AromaticContact CG-CD1 3.68Å; F226-F446 HydrophobicContact CG-CD1 3.68Å; F226-F446 AromaticContact CG-CE1 3.55Å; F226-F446 HydrophobicContact CG-CE1 3.55Å; F226-F446 HydrophobicContact CG-CG 4.22Å; F226-F446 HydrophobicContact CG-CZ 4.01Å; F226-F446 HydrophobicContact CZ-CE1 4.49Å; F226-Y481 AromaticContact CE1-CD1 3.98Å; F226-Y481 HydrophobicContact CE1-CD1 3.98Å; F226-Y481 HydrophobicContact CE1-CE1 4.48Å; F226-Y481 HydrophobicContact CE2-CD1 4.2Å; F226-Y481 WeakPolarHBondContact CE2-O 3.2Å; F226-Y481 AromaticContact CZ-CD1 3.73Å; F226-Y481 HydrophobicContact CZ-CD1 3.73Å
227	F	96.7	Very high	96.4	Very high	124 Å²	124	61.9 Å²	61.9	54%	0.544	30%	0.301	S	S	.	.	H	α-helix	trans	-66.4	-25.8	-179.8	-72.9	-65.6	0	0	0	113.9	N223 S225 L230	N223-F227 VanDerWaalsContact O-CD2 3.24Å; N223-F227 WeakPolarHBondContact O-CD2 3.24Å; N223-F227 PolarHBondContact O-N 3.07Å; N223-F227 WeakPolarHBondContact OD1-CE2 3.49Å; S225-F227 PolarHBondContact O-N 3.01Å; F227-L230 HydrophobicContact CD1-CD2 4.11Å; F227-L230 HydrophobicContact CE1-CD2 4.48Å
228	K	96.5	Very high	96.6	Very high	155 Å²	155	63 Å²	63	67%	0.674	31%	0.313	S	S	*	.	H	α-helix	trans	-71.3	-34.1	172.8	-69.5	176.7	-176.8	179.3	0	112.3	E224 S225 F226	E224-K228 WeakPolarHBondContact O-CG 3.3Å; E224-K228 PolarHBondContact O-N 3.4Å; S225-K228 PolarHBondContact O-N 3.34Å; F226-K228 VanDerWaalsContact C-N 3.26Å; F226-K228 PolarHBondContact O-N 3.33Å
229	L	96.4	Very high	96.6	Very high	43 Å²	43	67.3 Å²	67.3	23%	0.225	33%	0.33	C	S	.	.	H	α-helix	trans	-85.7	-21.6	-179.9	-67.1	173.2	0	0	0	112.9	S225 F226 P231 L232 Y233 I439 M442 M443 F514	S225-L229 WeakPolarHBondContact O-CG 2.9Å; S225-L229 PolarHBondContact O-N 3.13Å; S225-L229 VanDerWaalsContact O-N 3.13Å; F226-L229 PolarHBondContact O-N 2.68Å; F226-L229 VanDerWaalsContact O-N 3.07Å; L229-P231 VanDerWaalsContact C-CD 3.48Å; L229-L232 PolarHBondContact O-N 3.28Å; L229-L232 VanDerWaalsContact O-N 3.15Å; L229-Y233 PolarHBondContact O-N 2.89Å; L229-Y233 VanDerWaalsContact O-N 3.11Å; L229-I439 HydrophobicContact CD2-CD1 4.47Å; L229-M442 HydrophobicContact CD1-CE 3.71Å; L229-M442 HydrophobicContact CD1-SD 4.09Å; L229-M443 HydrophobicContact CB-CE 3.22Å; L229-M443 HydrophobicContact CD1-CE 4.11Å; L229-M443 HydrophobicContact CG-CE 4.31Å; L229-F514 HydrophobicContact CD1-CE2 4.48Å; L229-F514 HydrophobicContact CD1-CZ 4Å
230	L	97.4	Very high	96.6	Very high	39 Å²	39	64.5 Å²	64.5	20%	0.204	32%	0.316	C	S	.	.	H	α-helix	trans	-51.2	-45	-173.8	-175.5	62.6	0	0	0	113.9	F226 F227 L232 Y233 E234	F226-L230 HydrophobicContact CE1-CD1 4.33Å; F226-L230 HydrophobicContact CE1-CD2 4.35Å; F226-L230 HydrophobicContact CZ-CD1 4.01Å; F226-L230 PolarHBondContact O-N 3.44Å; F227-L230 HydrophobicContact CD1-CD2 4.11Å; F227-L230 HydrophobicContact CE1-CD2 4.48Å; L230-L232 VanDerWaalsContact C-N 3.34Å; L230-L232 PolarHBondContact O-N 2.7Å; L230-Y233 HydrophobicContact CD1-CD1 4.43Å; L230-Y233 WeakPolarHBondContact O-CB 3.42Å; L230-Y233 PolarHBondContact O-N 2.85Å; L230-E234 HydrophobicContact CD1-CG 3.94Å; L230-E234 HydrophobicContact CG-CG 4.18Å; L230-E234 WeakPolarHBondContact O-CG 3.37Å; L230-E234 PolarHBondContact O-N 3.23Å
231	P	98.2	Very high	96.6	Very high	78 Å²	78	59.5 Å²	59.5	51%	0.506	30%	0.295	S	S	.	.	H	α-helix	trans	-60.2	-40.9	-179.6	-25.2	35.6	0	0	0	113.6	L229 Y233 E235	L229-P231 VanDerWaalsContact C-CD 3.48Å; P231-Y233 VanDerWaalsContact C-N 3.33Å; P231-E235 WeakPolarHBondContact O-CG 3.4Å; P231-E235 PolarHBondContact O-N 2.88Å
232	L	97.4	Very high	96.5	Very high	102 Å²	102	63.5 Å²	63.5	53%	0.534	31%	0.311	S	S	.	.	H	α-helix	trans	-69	-36.3	176.6	177	60.9	0	0	0	111.3	L229 L230 L236 I439	L229-L232 PolarHBondContact O-N 3.28Å; L229-L232 VanDerWaalsContact O-N 3.15Å; L230-L232 VanDerWaalsContact C-N 3.34Å; L230-L232 PolarHBondContact O-N 2.7Å; L232-L236 WeakPolarHBondContact O-CB 3.38Å; L232-L236 PolarHBondContact O-N 2.82Å; L232-L236 VanDerWaalsContact O-N 3.12Å; L232-I439 HydrophobicContact CD2-CD1 4.1Å; L232-I439 HydrophobicContact CD2-CG1 4.21Å
233	Y	98.2	Very high	96.2	Very high	8 Å²	8	66 Å²	66	3%	0.031	32%	0.322	C	S	.	.	H	α-helix	trans	-67.9	-41.5	178.5	-178.7	-113.4	0	0	0	113	L229 L230 P231 E235 L236 H237 W266 I439 P440 M443 T482	L229-Y233 PolarHBondContact O-N 2.89Å; L229-Y233 VanDerWaalsContact O-N 3.11Å; L230-Y233 HydrophobicContact CD1-CD1 4.43Å; L230-Y233 WeakPolarHBondContact O-CB 3.42Å; L230-Y233 PolarHBondContact O-N 2.85Å; P231-Y233 VanDerWaalsContact C-N 3.33Å; Y233-E235 VanDerWaalsContact C-N 3.33Å; Y233-E235 PolarHBondContact O-N 3.37Å; Y233-L236 PolarHBondContact O-N 3.26Å; Y233-H237 WeakPolarHBondContact O-CB 3.5Å; Y233-H237 PolarHBondContact O-N 3.18Å; Y233-W266 AromaticContact CE2-CH2 3.59Å; Y233-W266 HydrophobicContact CE2-CH2 3.59Å; Y233-W266 HydrophobicContact CE2-CZ2 4.17Å; Y233-W266 HydrophobicContact CE2-CZ3 4.07Å; Y233-W266 AromaticContact CZ-CH2 3.72Å; Y233-W266 VanDerWaalsContact OH-CH2 3.28Å; Y233-W266 WeakPolarHBondContact OH-CH2 3.32Å; Y233-W266 WeakPolarHBondContact OH-CZ2 3.47Å; Y233-I439 HydrophobicContact CD2-CG2 3.73Å; Y233-I439 HydrophobicContact CG-CG2 4.26Å; Y233-P440 HydrophobicContact CE2-CG 4.49Å; Y233-M443 HydrophobicContact CD1-CG 3.92Å; Y233-M443 HydrophobicContact CD2-CB 4.43Å; Y233-M443 HydrophobicContact CD2-CG 3.6Å; Y233-M443 HydrophobicContact CE1-CB 4.34Å; Y233-M443 HydrophobicContact CE1-CG 4.07Å; Y233-M443 HydrophobicContact CE2-CB 4.08Å; Y233-M443 HydrophobicContact CE2-CG 3.75Å; Y233-M443 HydrophobicContact CG-CE 4.15Å; Y233-M443 HydrophobicContact CG-CG 3.65Å; Y233-M443 HydrophobicContact CG-SD 4.4Å; Y233-T482 WeakPolarHBondContact OH-CA 2.96Å; Y233-T482 WeakPolarHBondContact OH-CB 3.27Å; Y233-T482 PolarHBondContact OH-O 3.17Å
234	E	98.1	Very high	96	Very high	113 Å²	113	63.7 Å²	63.7	53%	0.528	31%	0.31	S	S	.	.	H	α-helix	trans	-61.3	-41.9	178.5	-72.7	177.3	154.2	0	0	111.5	L230 H237 A238	L230-E234 HydrophobicContact CD1-CG 3.94Å; L230-E234 HydrophobicContact CG-CG 4.18Å; L230-E234 WeakPolarHBondContact O-CG 3.37Å; L230-E234 PolarHBondContact O-N 3.23Å; E234-H237 PolarHBondContact O-N 2.96Å; E234-A238 WeakPolarHBondContact O-CB 3.16Å; E234-A238 PolarHBondContact O-N 3.29Å
235	E	97.5	Very high	95.7	Very high	143 Å²	143	60.5 Å²	60.5	67%	0.668	30%	0.296	S	S	*	.	H	α-helix	trans	-63.3	-46.4	174.2	-67.5	-66	157.9	0	0	111.9	P231 Y233 A238 Y239	P231-E235 WeakPolarHBondContact O-CG 3.4Å; P231-E235 PolarHBondContact O-N 2.88Å; Y233-E235 VanDerWaalsContact C-N 3.33Å; Y233-E235 PolarHBondContact O-N 3.37Å; E235-A238 PolarHBondContact O-N 2.87Å; E235-Y239 WeakPolarHBondContact O-CB 3.16Å; E235-Y239 PolarHBondContact O-N 2.81Å
236	L	96.6	Very high	95.3	Very high	14 Å²	14	66.4 Å²	66.4	7%	0.073	32%	0.32	C	S	.	.	H	α-helix	trans	-63.4	-43	177.4	-178.4	64.4	0	0	0	111.6	L232 Y233 Y239 V240 Y432 A435 L436 I439 P440	L232-L236 WeakPolarHBondContact O-CB 3.38Å; L232-L236 PolarHBondContact O-N 2.82Å; L232-L236 VanDerWaalsContact O-N 3.12Å; Y233-L236 PolarHBondContact O-N 3.26Å; L236-Y239 PolarHBondContact O-N 3.17Å; L236-V240 HydrophobicContact CD1-CG2 4.34Å; L236-V240 WeakPolarHBondContact O-CB 3.42Å; L236-V240 VanDerWaalsContact O-CG2 3.31Å; L236-V240 WeakPolarHBondContact O-CG2 3.35Å; L236-V240 PolarHBondContact O-N 2.75Å; L236-Y432 HydrophobicContact CD1-CD2 4.21Å; L236-Y432 HydrophobicContact CD1-CE2 3.81Å; L236-A435 HydrophobicContact CD2-CB 4.2Å; L236-L436 HydrophobicContact CD1-CD2 4.02Å; L236-I439 HydrophobicContact CD2-CB 4.23Å; L236-P440 HydrophobicContact CD2-CG 4.08Å
237	H	97.3	Very high	94.9	Very high	27 Å²	27	72.4 Å²	72.4	13%	0.125	36%	0.357	C	S	.	.	H	α-helix	trans	-61.2	-50.3	177.7	176.6	-71.8	0	0	0	110.6	Y233 E234 Y239 V240 K241 L251 W266 T482 G483	Y233-H237 WeakPolarHBondContact O-CB 3.5Å; Y233-H237 PolarHBondContact O-N 3.18Å; E234-H237 PolarHBondContact O-N 2.96Å; H237-Y239 VanDerWaalsContact C-N 3.31Å; H237-Y239 PolarHBondContact O-N 3.32Å; H237-V240 PolarHBondContact O-N 2.84Å; H237-K241 WeakPolarHBondContact O-CB 3.45Å; H237-K241 PolarHBondContact O-N 3.2Å; H237-L251 PolarHBondContact CE1-O 3.47Å; H237-W266 HydrophobicContact CB-CH2 4.33Å; H237-W266 HydrophobicContact CB-CZ3 4.48Å; H237-W266 AromaticContact CD2-CH2 3.93Å; H237-T482 PolarHBondContact CD2-O 2.99Å; H237-G483 PolarHBondContact NE2-O 3.45Å
238	A	95.8	Very high	94.5	Very high	58 Å²	58	68.2 Å²	68.2	48%	0.479	34%	0.344	S	S	.	.	H	α-helix	trans	-59.1	-43.1	178.9	0	0	0	0	0	111.8	E234 E235 Y242	E234-A238 WeakPolarHBondContact O-CB 3.16Å; E234-A238 PolarHBondContact O-N 3.29Å; E235-A238 PolarHBondContact O-N 2.87Å; A238-Y242 PolarHBondContact O-N 3.43Å
239	Y	94.3	Very high	94.2	Very high	93 Å²	93	68.9 Å²	68.9	37%	0.365	36%	0.355	S	S	.	.	H	α-helix	trans	-63	-47.6	175.7	-178.6	-106.9	0	0	0	111.9	E235 L236 H237 K241 Y242 Q243 Y432	E235-Y239 WeakPolarHBondContact O-CB 3.16Å; E235-Y239 PolarHBondContact O-N 2.81Å; L236-Y239 PolarHBondContact O-N 3.17Å; H237-Y239 VanDerWaalsContact C-N 3.31Å; H237-Y239 PolarHBondContact O-N 3.32Å; Y239-K241 PolarHBondContact O-N 3.32Å; Y239-Y242 WeakPolarHBondContact O-CB 3.23Å; Y239-Y242 PolarHBondContact O-N 3.15Å; Y239-Q243 HydrophobicContact CD1-CG 4.41Å; Y239-Q243 HydrophobicContact CE1-CG 4.07Å; Y239-Q243 HydrophobicContact CE2-CG 4.39Å; Y239-Q243 VanDerWaalsContact CZ-NE2 3.3Å; Y239-Q243 WeakPolarHBondContact O-CG 3.22Å; Y239-Q243 PolarHBondContact O-N 3.06Å; Y239-Q243 VanDerWaalsContact O-N 3.12Å; Y239-Q243 PolarHBondContact OH-NE2 3.49Å; Y239-Y432 AromaticContact CD1-CE2 3.85Å; Y239-Y432 HydrophobicContact CD1-CE2 3.85Å; Y239-Y432 AromaticContact CD1-CZ 3.97Å; Y239-Y432 HydrophobicContact CE1-CE1 4.24Å; Y239-Y432 AromaticContact CE1-CE2 3.78Å; Y239-Y432 HydrophobicContact CE1-CE2 3.78Å; Y239-Y432 AromaticContact CE1-CZ 3.52Å; Y239-Y432 VanDerWaalsContact CE1-OH 3.31Å; Y239-Y432 WeakPolarHBondContact CE1-OH 3.37Å
240	V	94.8	Very high	94	Very high	0 Å²	0	72.7 Å²	72.7	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-63	-44.2	178.7	168.2	0	0	0	0	111.3	L236 H237 Y242 Q243 V244 I253 W266 I269 L436	L236-V240 HydrophobicContact CD1-CG2 4.34Å; L236-V240 WeakPolarHBondContact O-CB 3.42Å; L236-V240 VanDerWaalsContact O-CG2 3.31Å; L236-V240 WeakPolarHBondContact O-CG2 3.35Å; L236-V240 PolarHBondContact O-N 2.75Å; H237-V240 PolarHBondContact O-N 2.84Å; V240-Y242 VanDerWaalsContact C-N 3.28Å; V240-Y242 PolarHBondContact O-N 3.08Å; V240-Q243 WeakPolarHBondContact O-CA 3.18Å; V240-Q243 WeakPolarHBondContact O-CB 3.14Å; V240-Q243 PolarHBondContact O-N 2.88Å; V240-V244 HydrophobicContact CG1-CG1 4.27Å; V240-V244 HydrophobicContact CG1-CG2 4.35Å; V240-V244 WeakPolarHBondContact O-CG2 3.4Å; V240-V244 PolarHBondContact O-N 3.49Å; V240-I253 HydrophobicContact CB-CD1 4.4Å; V240-I253 HydrophobicContact CG1-CD1 3.95Å; V240-W266 HydrophobicContact CB-CE3 4.27Å; V240-W266 HydrophobicContact CB-CZ3 4.26Å; V240-W266 HydrophobicContact CG1-CE3 4.14Å; V240-W266 HydrophobicContact CG1-CZ3 4.39Å; V240-W266 HydrophobicContact CG2-CE3 3.98Å; V240-W266 HydrophobicContact CG2-CZ3 4.29Å; V240-I269 HydrophobicContact CB-CD1 4.48Å; V240-I269 HydrophobicContact CG1-CD1 3.3Å; V240-I269 HydrophobicContact CG2-CD1 4.35Å; V240-L436 HydrophobicContact CG2-CD2 3.63Å
241	K	95	Very high	93.8	Very high	21 Å²	21	78.2 Å²	78.2	9%	0.091	40%	0.398	C	S	.	.	H	α-helix	trans	-54.9	-45.6	175.7	176.8	64.7	171.8	94.5	0	111.3	H237 Y239 Q243 D245 S248 K250 I253	H237-K241 WeakPolarHBondContact O-CB 3.45Å; H237-K241 PolarHBondContact O-N 3.2Å; Y239-K241 PolarHBondContact O-N 3.32Å; K241-Q243 VanDerWaalsContact C-N 3.25Å; K241-Q243 PolarHBondContact O-N 2.87Å; K241-D245 HydrophobicContact CD-CB 4.25Å; K241-D245 VanDerWaalsContact NZ-CG 3.26Å; K241-D245 PolarHBondContact NZ-O 3.02Å; K241-D245 IonicContact NZ-OD1 2.78Å; K241-D245 IonicContact NZ-OD2 3.99Å; K241-D245 PolarHBondContact NZ-OD2 3.07Å; K241-D245 CarbonylContact O-C 3.55Å; K241-D245 VanDerWaalsContact O-C 3.26Å; K241-D245 PolarHBondContact O-N 2.97Å; K241-S248 PolarHBondContact NZ-O 3.04Å; K241-K250 WeakPolarHBondContact CE-O 3.21Å; K241-K250 PolarHBondContact NZ-O 2.8Å; K241-I253 HydrophobicContact CB-CD1 4.07Å; K241-I253 HydrophobicContact CB-CG1 3.83Å; K241-I253 HydrophobicContact CD-CG1 3.59Å; K241-I253 HydrophobicContact CG-CG1 4.28Å
242	Y	92.6	Very high	93.8	Very high	121 Å²	121	75 Å²	75	48%	0.475	38%	0.378	S	S	.	.	H	α-helix	trans	-60.2	-36	175.8	174.5	-95.3	0	0	0	112.3	A238 Y239 V240 K246	A238-Y242 PolarHBondContact O-N 3.43Å; Y239-Y242 WeakPolarHBondContact O-CB 3.23Å; Y239-Y242 PolarHBondContact O-N 3.15Å; V240-Y242 VanDerWaalsContact C-N 3.28Å; V240-Y242 PolarHBondContact O-N 3.08Å; Y242-K246 HydrophobicContact CD2-CD 4.18Å; Y242-K246 HydrophobicContact CD2-CG 4.08Å; Y242-K246 HydrophobicContact CE2-CD 3.59Å; Y242-K246 VanDerWaalsContact CE2-CE 3.46Å; Y242-K246 HydrophobicContact CE2-CG 3.95Å; Y242-K246 WeakPolarHBondContact O-CB 3.47Å; Y242-K246 PolarHBondContact OH-NZ 3.16Å
243	Q	90.5	Very high	93.8	Very high	56 Å²	56	70.1 Å²	70.1	26%	0.262	35%	0.352	S	S	.	.	H	α-helix	trans	-78.3	-39.8	-178	-67	-66	13.8	0	0	113.7	Y239 V240 K241 H273	Y239-Q243 HydrophobicContact CD1-CG 4.41Å; Y239-Q243 HydrophobicContact CE1-CG 4.07Å; Y239-Q243 HydrophobicContact CE2-CG 4.39Å; Y239-Q243 VanDerWaalsContact CZ-NE2 3.3Å; Y239-Q243 WeakPolarHBondContact O-CG 3.22Å; Y239-Q243 PolarHBondContact O-N 3.06Å; Y239-Q243 VanDerWaalsContact O-N 3.12Å; Y239-Q243 PolarHBondContact OH-NE2 3.49Å; V240-Q243 WeakPolarHBondContact O-CA 3.18Å; V240-Q243 WeakPolarHBondContact O-CB 3.14Å; V240-Q243 PolarHBondContact O-N 2.88Å; K241-Q243 VanDerWaalsContact C-N 3.25Å; K241-Q243 PolarHBondContact O-N 2.87Å; Q243-H273 HydrophobicContact CB-CB 4.02Å; Q243-H273 PolarHBondContact O-CD2 3.28Å; Q243-H273 PolarHBondContact OE1-O 2.78Å; Q243-H273 VanDerWaalsContact OE1-O 3.06Å
244	V	92.3	Very high	93.7	Very high	22 Å²	22	70.3 Å²	70.3	13%	0.133	36%	0.356	C	S	.	.	H	α-helix	trans	-97.3	-21.2	-173.1	-54.4	0	0	0	0	114.1	V240 I253 L257 I269 H273	V240-V244 HydrophobicContact CG1-CG1 4.27Å; V240-V244 HydrophobicContact CG1-CG2 4.35Å; V240-V244 WeakPolarHBondContact O-CG2 3.4Å; V240-V244 PolarHBondContact O-N 3.49Å; V244-I253 HydrophobicContact CG2-CG2 3.83Å; V244-L257 HydrophobicContact CB-CB 4.34Å; V244-L257 HydrophobicContact CG2-CB 4.11Å; V244-I269 HydrophobicContact CG1-CD1 4.08Å; V244-I269 HydrophobicContact CG1-CG1 4.45Å; V244-I269 HydrophobicContact CG1-CG2 4.08Å; V244-H273 HydrophobicContact CG1-CB 4.43Å
245	D	91.1	Very high	93.6	Very high	32 Å²	32	65 Å²	65	17%	0.171	33%	0.332	C	S	.	.			trans	-152.9	57.7	-174	-175.4	20.5	0	0	0	111.2	K241 T247 S248 L257	K241-D245 HydrophobicContact CD-CB 4.25Å; K241-D245 VanDerWaalsContact NZ-CG 3.26Å; K241-D245 PolarHBondContact NZ-O 3.02Å; K241-D245 IonicContact NZ-OD1 2.78Å; K241-D245 IonicContact NZ-OD2 3.99Å; K241-D245 PolarHBondContact NZ-OD2 3.07Å; K241-D245 CarbonylContact O-C 3.55Å; K241-D245 VanDerWaalsContact O-C 3.26Å; K241-D245 PolarHBondContact O-N 2.97Å; D245-T247 PolarHBondContact O-N 2.63Å; D245-S248 WeakPolarHBondContact OD1-CB 3.31Å; D245-S248 WeakPolarHBondContact OD2-CB 3.37Å; D245-S248 PolarHBondContact OD2-OG 2.67Å; D245-L257 HydrophobicContact CB-CD1 3.91Å
246	K	87.3	Confident	93.5	Very high	139 Å²	139	58.3 Å²	58.3	60%	0.604	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-30.6	-176.2	-173.5	170.7	170.1	170	0	114.1	Y242	Y242-K246 HydrophobicContact CD2-CD 4.18Å; Y242-K246 HydrophobicContact CD2-CG 4.08Å; Y242-K246 HydrophobicContact CE2-CD 3.59Å; Y242-K246 VanDerWaalsContact CE2-CE 3.46Å; Y242-K246 HydrophobicContact CE2-CG 3.95Å; Y242-K246 WeakPolarHBondContact O-CB 3.47Å; Y242-K246 PolarHBondContact OH-NZ 3.16Å
247	T	88	Confident	93.4	Very high	132 Å²	132	58.6 Å²	58.6	81%	0.81	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-13.8	-168.6	49.5	0	0	0	0	113.9	D245	D245-T247 PolarHBondContact O-N 2.63Å
248	S	89.7	Confident	93.3	Very high	37 Å²	37	57.3 Å²	57.3	26%	0.259	30%	0.296	S	S	.	.			trans	-87.4	131.2	-178.1	169.3	0	0	0	0	111.6	K241 D245 K250	K241-S248 PolarHBondContact NZ-O 3.04Å; D245-S248 WeakPolarHBondContact OD1-CB 3.31Å; D245-S248 WeakPolarHBondContact OD2-CB 3.37Å; D245-S248 PolarHBondContact OD2-OG 2.67Å; S248-K250 PolarHBondContact O-N 2.88Å; S248-K250 PolarHBondContact OG-N 3.05Å
249	D	89.7	Confident	93	Very high	169 Å²	169	55 Å²	55	90%	0.904	28%	0.278	S	S	*	.			trans	-72.7	-7.7	175.3	-61.5	-36.8	0	0	0	113.5
250	K	92.8	Very high	93	Very high	123 Å²	123	51.1 Å²	51.1	54%	0.535	26%	0.263	S	S	.	.			trans	-71.1	139.3	176.7	-64.2	-178.3	179.2	178.8	0	109.7	K241 S248	K241-K250 WeakPolarHBondContact CE-O 3.21Å; K241-K250 PolarHBondContact NZ-O 2.8Å; S248-K250 PolarHBondContact O-N 2.88Å; S248-K250 PolarHBondContact OG-N 3.05Å
251	L	93.7	Very high	92.9	Very high	154 Å²	154	51.2 Å²	51.2	81%	0.806	26%	0.263	S	S	*	.	S	Bend	trans	-72	-42.1	172.5	-64.9	177.3	0	0	0	111.3	H237	H237-L251 PolarHBondContact CE1-O 3.47Å
252	A	96.8	Very high	92.9	Very high	10 Å²	10	50.9 Å²	50.9	8%	0.083	26%	0.262	C	S	.	.	S	Bend	trans	-68.9	146.1	-179.2	0	0	0	0	0	112.6	E479 G483	A252-E479 HydrophobicContact CB-CG 4.01Å; A252-G483 CarbonylContact C-O 3.58Å; A252-G483 WeakPolarHBondContact CA-O 3.41Å; A252-G483 WeakPolarHBondContact CB-O 3.38Å
253	I	97	Very high	93.1	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	129	172.8	-56.2	160.8	0	0	0	107.9	V240 K241 V244 A255 L257 V258 W266 G483 I484 S485	V240-I253 HydrophobicContact CB-CD1 4.4Å; V240-I253 HydrophobicContact CG1-CD1 3.95Å; K241-I253 HydrophobicContact CB-CD1 4.07Å; K241-I253 HydrophobicContact CB-CG1 3.83Å; K241-I253 HydrophobicContact CD-CG1 3.59Å; K241-I253 HydrophobicContact CG-CG1 4.28Å; V244-I253 HydrophobicContact CG2-CG2 3.83Å; I253-A255 PolarHBondContact O-N 2.76Å; I253-L257 HydrophobicContact CG2-CB 4.27Å; I253-V258 HydrophobicContact CG2-CG1 3.75Å; I253-W266 HydrophobicContact CD1-CH2 4.33Å; I253-G483 PolarHBondContact N-O 3.02Å; I253-I484 HydrophobicContact CB-CD1 3.85Å; I253-I484 HydrophobicContact CD1-CD1 4.47Å; I253-I484 HydrophobicContact CG2-CD1 4.35Å; I253-I484 CarbonylContact O-C 3.58Å; I253-I484 VanDerWaalsContact O-CA 3.3Å; I253-I484 WeakPolarHBondContact O-CA 3.42Å; I253-S485 PolarHBondContact O-N 3.46Å
254	A	96.2	Very high	93.2	Very high	13 Å²	13	45 Å²	45	11%	0.107	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	132.3	175.3	0	0	0	0	0	110.8	H256 L257	A254-H256 VanDerWaalsContact CB-CE1 3.43Å; A254-H256 WeakPolarHBondContact CB-CE1 3.28Å; A254-H256 WeakPolarHBondContact CB-ND1 3.34Å; A254-H256 PolarHBondContact O-N 3.37Å; A254-L257 HydrophobicContact CB-CD1 4.08Å; A254-L257 HydrophobicContact CB-CG 4.24Å; A254-L257 WeakPolarHBondContact O-CB 3.26Å; A254-L257 PolarHBondContact O-N 2.77Å
255	A	96.6	Very high	93.2	Very high	2 Å²	2	44.7 Å²	44.7	2%	0.017	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-52.1	-35.6	-170.5	0	0	0	0	0	114.9	I253 L257 V258 A263 W475 I484 S485	I253-A255 PolarHBondContact O-N 2.76Å; A255-L257 PolarHBondContact O-N 3.14Å; A255-V258 WeakPolarHBondContact O-CG2 3.28Å; A255-A263 HydrophobicContact CB-CB 4.1Å; A255-W475 HydrophobicContact CB-CH2 4.25Å; A255-W475 HydrophobicContact CB-CZ3 4.3Å; A255-I484 HydrophobicContact CB-CG2 3.61Å; A255-S485 PolarHBondContact N-O 3.39Å
256	H	95	Very high	93.3	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-67.3	-13.5	179.6	68.6	-61.2	0	0	0	115.4	F151 E157 W164 A254 P487	F151-H256 HydrophobicContact CZ-CB 4.06Å; E157-H256 IonicContact OE1-NE2 2.9Å; W164-H256 HydrophobicContact CB-CB 4.04Å; W164-H256 HydrophobicContact CG-CB 4.1Å; A254-H256 VanDerWaalsContact CB-CE1 3.43Å; A254-H256 WeakPolarHBondContact CB-CE1 3.28Å; A254-H256 WeakPolarHBondContact CB-ND1 3.34Å; A254-H256 PolarHBondContact O-N 3.37Å; H256-P487 HydrophobicContact CB-CG 4.16Å; H256-P487 WeakPolarHBondContact ND1-CG 3.15Å
257	L	95.3	Very high	93.4	Very high	21 Å²	21	37.8 Å²	37.8	11%	0.11	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-88.9	-13.7	-173.1	-58.7	-179.7	0	0	0	114.2	E157 V244 D245 I253 A254 A255 G259	E157-L257 HydrophobicContact CG-CD2 3.7Å; V244-L257 HydrophobicContact CB-CB 4.34Å; V244-L257 HydrophobicContact CG2-CB 4.11Å; D245-L257 HydrophobicContact CB-CD1 3.91Å; I253-L257 HydrophobicContact CG2-CB 4.27Å; A254-L257 HydrophobicContact CB-CD1 4.08Å; A254-L257 HydrophobicContact CB-CG 4.24Å; A254-L257 WeakPolarHBondContact O-CB 3.26Å; A254-L257 PolarHBondContact O-N 2.77Å; A255-L257 PolarHBondContact O-N 3.14Å; L257-G259 VanDerWaalsContact C-N 3.32Å; L257-G259 PolarHBondContact O-N 2.99Å
258	V	94.4	Very high	93.4	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.175	C	C	.	.	S	Bend	trans	-90.3	6.6	-173.5	-61	0	0	0	0	114.1	I253 A255 D260 A263 W266 I269 I484	I253-V258 HydrophobicContact CG2-CG1 3.75Å; A255-V258 WeakPolarHBondContact O-CG2 3.28Å; V258-D260 VanDerWaalsContact C-N 3.28Å; V258-D260 PolarHBondContact O-N 2.58Å; V258-A263 HydrophobicContact CG2-CB 3.53Å; V258-W266 HydrophobicContact CB-CG 3.98Å; V258-W266 HydrophobicContact CG1-CD2 4.31Å; V258-W266 HydrophobicContact CG1-CG 4.27Å; V258-W266 HydrophobicContact CG2-CG 4.49Å; V258-I269 HydrophobicContact CB-CD1 3.86Å; V258-I269 HydrophobicContact CG1-CD1 3.99Å; V258-I269 WeakPolarHBondContact O-CG1 3.47Å; V258-I484 HydrophobicContact CG1-CD1 4.24Å
259	G	90.5	Very high	93.3	Very high	9 Å²	9	30.8 Å²	30.8	9%	0.093	16%	0.162	C	C	.	.	S	Bend	trans	72	17.9	174.7	0	0	0	0	0	114.6	A152 L257 N268	A152-G259 WeakPolarHBondContact CA-O 3.05Å; L257-G259 VanDerWaalsContact C-N 3.32Å; L257-G259 PolarHBondContact O-N 2.99Å; G259-N268 PolarHBondContact O-ND2 3.29Å
260	D	93.3	Very high	93.2	Very high	12 Å²	12	22.9 Å²	22.9	6%	0.064	12%	0.12	C	C	.	.	S	Bend	trans	-132.5	136.1	167.2	176.2	-101.1	0	0	0	108.8	R148 V258 F262 A263 E264 S265	R148-D260 IonicContact NH2-OD2 3.75Å; V258-D260 VanDerWaalsContact C-N 3.28Å; V258-D260 PolarHBondContact O-N 2.58Å; D260-F262 PolarHBondContact O-N 3.5Å; D260-F262 VanDerWaalsContact O-N 3.14Å; D260-F262 WeakPolarHBondContact OD1-CA 3.49Å; D260-F262 PolarHBondContact OD1-N 3.44Å; D260-A263 PolarHBondContact O-N 3Å; D260-A263 VanDerWaalsContact O-N 3.08Å; D260-A263 PolarHBondContact OD1-N 2.82Å; D260-E264 PolarHBondContact OD1-N 3.32Å; D260-S265 WeakPolarHBondContact CB-O 3.21Å
261	L	94.3	Very high	92.7	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.005	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-29.5	-173.6	-177.1	63.7	0	0	0	112.5	L143 L147 F151 W164 W167	L143-L261 HydrophobicContact CD1-CD2 3.73Å; L147-L261 HydrophobicContact CD2-CD2 3.7Å; L147-L261 HydrophobicContact CG-CD2 3.99Å; F151-L261 HydrophobicContact CD1-CB 4.32Å; F151-L261 HydrophobicContact CD2-CD1 3.8Å; F151-L261 HydrophobicContact CE2-CD1 3.78Å; F151-L261 HydrophobicContact CG-CB 4.36Å; F151-L261 HydrophobicContact CG-CD1 4.3Å; F151-L261 HydrophobicContact CZ-CD1 4.26Å; W164-L261 PolarHBondContact NE1-O 3.45Å; W167-L261 HydrophobicContact CB-CD1 4.29Å; W167-L261 HydrophobicContact CB-CD2 4.46Å; W167-L261 HydrophobicContact CD2-CD2 4.17Å; W167-L261 HydrophobicContact CG-CD1 4.42Å; W167-L261 HydrophobicContact CG-CD2 3.89Å; W167-L261 HydrophobicContact CG-CG 4.48Å
262	F	95.1	Very high	92.1	Very high	14 Å²	14	13.7 Å²	13.7	6%	0.061	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.5	0.6	-177.9	-52.3	-60.2	0	0	0	112.7	L143 W167 Y168 D260 E264 Q500 V501 P502	L143-F262 HydrophobicContact CD1-CE2 4.17Å; L143-F262 HydrophobicContact CD1-CZ 3.74Å; L143-F262 HydrophobicContact CD2-CZ 4.39Å; W167-F262 AromaticContact NE1-CE1 3.5Å; W167-F262 AromaticContact NE1-CZ 3.98Å; Y168-F262 WeakPolarHBondContact OH-CD1 3.43Å; D260-F262 PolarHBondContact O-N 3.5Å; D260-F262 VanDerWaalsContact O-N 3.14Å; D260-F262 WeakPolarHBondContact OD1-CA 3.49Å; D260-F262 PolarHBondContact OD1-N 3.44Å; F262-E264 PolarHBondContact O-N 2.93Å; F262-Q500 VanDerWaalsContact CE1-O 3.31Å; F262-Q500 WeakPolarHBondContact CE1-O 3.41Å; F262-V501 HydrophobicContact CD1-CG2 4.12Å; F262-P502 HydrophobicContact CE2-CG 4.49Å; F262-P502 VanDerWaalsContact CZ-CD 3.48Å; F262-P502 HydrophobicContact CZ-CG 4.03Å
263	A	95.7	Very high	91	Very high	4 Å²	4	16.5 Å²	16.5	3%	0.033	9%	0.089	C	C	.	.	S	Bend	trans	55.2	27.9	-171.4	0	0	0	0	0	114.4	A255 V258 D260 W266 I484	A255-A263 HydrophobicContact CB-CB 4.1Å; V258-A263 HydrophobicContact CG2-CB 3.53Å; D260-A263 PolarHBondContact O-N 3Å; D260-A263 VanDerWaalsContact O-N 3.08Å; D260-A263 PolarHBondContact OD1-N 2.82Å; A263-W266 PolarHBondContact O-NE1 3.22Å; A263-I484 HydrophobicContact CB-CG1 4.48Å; A263-I484 HydrophobicContact CB-CG2 4.02Å
264	E	93.3	Very high	89.2	Confident	49 Å²	49	17.3 Å²	17.3	23%	0.229	10%	0.097	C	C	.	.	S	Bend	trans	-75.8	-40.9	-179.9	179.5	176.4	176.2	0	0	111.8	D260 F262 P440 S441	D260-E264 PolarHBondContact OD1-N 3.32Å; F262-E264 PolarHBondContact O-N 2.93Å; E264-P440 CarbonylContact O-C 3.59Å; E264-S441 WeakPolarHBondContact O-CA 3.42Å; E264-S441 WeakPolarHBondContact O-CB 3.28Å; E264-S441 PolarHBondContact O-N 3.25Å; E264-S441 VanDerWaalsContact O-N 3.17Å
265	S	91.4	Very high	87.8	Confident	16 Å²	16	17.1 Å²	17.1	11%	0.112	10%	0.095	C	C	.	.			trans	-127	140.9	179.2	172.6	0	0	0	0	109.8	D260 Q267	D260-S265 WeakPolarHBondContact CB-O 3.21Å; S265-Q267 PolarHBondContact OG-N 3.47Å
266	W	93.6	Very high	86.2	Confident	1 Å²	1	24.1 Å²	24.1	0%	0.004	13%	0.133	C	C	.	.			trans	-106.5	13.4	-179.6	-58.8	-5.8	0	0	0	111.9	Y233 H237 V240 I253 V258 A263 N268 I269 L436 P440 I484	Y233-W266 AromaticContact CE2-CH2 3.59Å; Y233-W266 HydrophobicContact CE2-CH2 3.59Å; Y233-W266 HydrophobicContact CE2-CZ2 4.17Å; Y233-W266 HydrophobicContact CE2-CZ3 4.07Å; Y233-W266 AromaticContact CZ-CH2 3.72Å; Y233-W266 VanDerWaalsContact OH-CH2 3.28Å; Y233-W266 WeakPolarHBondContact OH-CH2 3.32Å; Y233-W266 WeakPolarHBondContact OH-CZ2 3.47Å; H237-W266 HydrophobicContact CB-CH2 4.33Å; H237-W266 HydrophobicContact CB-CZ3 4.48Å; H237-W266 AromaticContact CD2-CH2 3.93Å; V240-W266 HydrophobicContact CB-CE3 4.27Å; V240-W266 HydrophobicContact CB-CZ3 4.26Å; V240-W266 HydrophobicContact CG1-CE3 4.14Å; V240-W266 HydrophobicContact CG1-CZ3 4.39Å; V240-W266 HydrophobicContact CG2-CE3 3.98Å; V240-W266 HydrophobicContact CG2-CZ3 4.29Å; I253-W266 HydrophobicContact CD1-CH2 4.33Å; V258-W266 HydrophobicContact CB-CG 3.98Å; V258-W266 HydrophobicContact CG1-CD2 4.31Å; V258-W266 HydrophobicContact CG1-CG 4.27Å; V258-W266 HydrophobicContact CG2-CG 4.49Å; A263-W266 PolarHBondContact O-NE1 3.22Å; W266-N268 PolarHBondContact O-N 3.22Å; W266-N268 VanDerWaalsContact O-N 3.1Å; W266-I269 HydrophobicContact CB-CD1 3.78Å; W266-I269 HydrophobicContact CB-CG1 4.27Å; W266-I269 HydrophobicContact CG-CD1 4.24Å; W266-I269 VanDerWaalsContact O-CB 3.23Å; W266-I269 WeakPolarHBondContact O-CB 3.49Å; W266-I269 VanDerWaalsContact O-CG1 3.29Å; W266-I269 WeakPolarHBondContact O-CG1 3.27Å; W266-I269 PolarHBondContact O-N 3.12Å; W266-L436 HydrophobicContact CB-CB 4.4Å; W266-L436 HydrophobicContact CB-CD2 3.96Å; W266-L436 HydrophobicContact CE3-CD2 4.47Å; W266-L436 PolarHBondContact N-O 3.29Å; W266-P440 HydrophobicContact CB-CB 4.42Å; W266-P440 HydrophobicContact CB-CG 4.08Å; W266-P440 HydrophobicContact CD2-CB 3.52Å; W266-P440 HydrophobicContact CD2-CG 3.38Å; W266-P440 HydrophobicContact CE3-CB 4Å; W266-P440 HydrophobicContact CE3-CG 3.37Å; W266-P440 HydrophobicContact CG-CB 3.7Å; W266-P440 HydrophobicContact CG-CG 3.71Å; W266-P440 HydrophobicContact CH2-CG 4.43Å; W266-P440 HydrophobicContact CZ2-CB 4.11Å; W266-P440 HydrophobicContact CZ2-CG 4.43Å; W266-P440 HydrophobicContact CZ3-CB 4.49Å; W266-P440 HydrophobicContact CZ3-CG 3.94Å; W266-I484 HydrophobicContact CH2-CD1 4.49Å; W266-I484 HydrophobicContact CZ2-CD1 3.62Å; W266-I484 HydrophobicContact CZ2-CG1 4.03Å
267	Q	88.7	Confident	85.1	Confident	26 Å²	26	27.4 Å²	27.4	12%	0.121	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-29.9	-173.8	74	-172	-29	0	0	113.9	S265 I269 Y270 D358 I437	S265-Q267 PolarHBondContact OG-N 3.47Å; Q267-I269 PolarHBondContact O-N 2.91Å; Q267-Y270 WeakPolarHBondContact O-CB 3.29Å; Q267-Y270 PolarHBondContact O-N 2.73Å; Q267-Y270 VanDerWaalsContact O-N 3.15Å; Q267-D358 PolarHBondContact NE2-OD1 3.43Å; Q267-D358 PolarHBondContact NE2-OD2 2.98Å; Q267-D358 PolarHBondContact OE1-OD1 2.93Å; Q267-I437 HydrophobicContact CB-CD1 4.23Å; Q267-I437 HydrophobicContact CB-CG1 3.38Å; Q267-I437 HydrophobicContact CG-CG1 4.39Å
268	N	87.6	Confident	84	Confident	22 Å²	22	31.6 Å²	31.6	12%	0.118	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-21	179.8	-66.3	-47.7	0	0	0	111.8	A152 G259 W266 Y270 L271 T272	A152-N268 HydrophobicContact CB-CB 4.46Å; A152-N268 VanDerWaalsContact CB-ND2 3.28Å; A152-N268 WeakPolarHBondContact CB-ND2 3.47Å; G259-N268 PolarHBondContact O-ND2 3.29Å; W266-N268 PolarHBondContact O-N 3.22Å; W266-N268 VanDerWaalsContact O-N 3.1Å; N268-Y270 PolarHBondContact O-N 2.86Å; N268-L271 PolarHBondContact O-N 3.2Å; N268-T272 VanDerWaalsContact O-CG2 3.29Å; N268-T272 WeakPolarHBondContact O-CG2 3.39Å; N268-T272 PolarHBondContact O-N 2.79Å; N268-T272 PolarHBondContact O-OG1 2.77Å; N268-T272 VanDerWaalsContact O-OG1 3.06Å
269	I	88.4	Confident	83.2	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-60.2	-32.6	173.8	-56.3	-176.8	0	0	0	111.3	V240 V244 V258 W266 Q267 L271 T272 H273 L436	V240-I269 HydrophobicContact CB-CD1 4.48Å; V240-I269 HydrophobicContact CG1-CD1 3.3Å; V240-I269 HydrophobicContact CG2-CD1 4.35Å; V244-I269 HydrophobicContact CG1-CD1 4.08Å; V244-I269 HydrophobicContact CG1-CG1 4.45Å; V244-I269 HydrophobicContact CG1-CG2 4.08Å; V258-I269 HydrophobicContact CB-CD1 3.86Å; V258-I269 HydrophobicContact CG1-CD1 3.99Å; V258-I269 WeakPolarHBondContact O-CG1 3.47Å; W266-I269 HydrophobicContact CB-CD1 3.78Å; W266-I269 HydrophobicContact CB-CG1 4.27Å; W266-I269 HydrophobicContact CG-CD1 4.24Å; W266-I269 VanDerWaalsContact O-CB 3.23Å; W266-I269 WeakPolarHBondContact O-CB 3.49Å; W266-I269 VanDerWaalsContact O-CG1 3.29Å; W266-I269 WeakPolarHBondContact O-CG1 3.27Å; W266-I269 PolarHBondContact O-N 3.12Å; Q267-I269 PolarHBondContact O-N 2.91Å; I269-L271 VanDerWaalsContact C-N 3.34Å; I269-L271 PolarHBondContact O-N 2.82Å; I269-T272 WeakPolarHBondContact CA-OG1 3.47Å; I269-T272 PolarHBondContact O-N 2.89Å; I269-T272 VanDerWaalsContact O-N 3.12Å; I269-T272 PolarHBondContact O-OG1 2.8Å; I269-T272 VanDerWaalsContact O-OG1 3.08Å; I269-H273 HydrophobicContact CG2-CB 4.05Å; I269-H273 PolarHBondContact O-N 3.08Å; I269-L436 HydrophobicContact CB-CD1 4.38Å
270	Y	88.5	Confident	82.8	Confident	3 Å²	3	36.6 Å²	36.6	1%	0.012	19%	0.191	C	C	.	.	H	α-helix	trans	-53.6	-47.9	-179.6	-177.9	-102.3	0	0	0	112.9	Q267 N268 S275 L279 E429 Y432 K433	Q267-Y270 WeakPolarHBondContact O-CB 3.29Å; Q267-Y270 PolarHBondContact O-N 2.73Å; Q267-Y270 VanDerWaalsContact O-N 3.15Å; N268-Y270 PolarHBondContact O-N 2.86Å; Y270-S275 PolarHBondContact OH-OG 3.11Å; Y270-L279 PolarHBondContact OH-N 3.47Å; Y270-E429 WeakPolarHBondContact CE2-OE2 3.43Å; Y270-E429 PolarHBondContact OH-OE2 3.2Å; Y270-Y432 AromaticContact CD2-CD1 3.84Å; Y270-Y432 HydrophobicContact CD2-CD1 3.84Å; Y270-Y432 HydrophobicContact CD2-CE1 4.11Å; Y270-Y432 HydrophobicContact CE2-CD1 4.15Å; Y270-K433 HydrophobicContact CD1-CD 4.33Å; Y270-K433 HydrophobicContact CD1-CG 4.49Å; Y270-K433 HydrophobicContact CD2-CB 3.82Å; Y270-K433 HydrophobicContact CD2-CG 4.38Å; Y270-K433 HydrophobicContact CE1-CD 4.49Å; Y270-K433 HydrophobicContact CE2-CB 4Å; Y270-K433 HydrophobicContact CG-CB 4.18Å; Y270-K433 HydrophobicContact CG-CG 4.24Å
271	L	81.7	Confident	82.4	Confident	54 Å²	54	36.5 Å²	36.5	28%	0.283	19%	0.19	S	C	.	.	H	α-helix	trans	-79.6	-23.9	-178.5	-66.1	178.2	0	0	0	112.7	N268 I269 N280	N268-L271 PolarHBondContact O-N 3.2Å; I269-L271 VanDerWaalsContact C-N 3.34Å; I269-L271 PolarHBondContact O-N 2.82Å; L271-N280 HydrophobicContact CD2-CB 4.12Å
272	T	80.1	Confident	82.1	Confident	29 Å²	29	38.2 Å²	38.2	18%	0.178	20%	0.201	C	C	.	.	H	α-helix	trans	-92.5	-46	-170.3	52.1	0	0	0	0	114	R155 N268 I269	R155-T272 VanDerWaalsContact CD-CG2 3.44Å; R155-T272 VanDerWaalsContact NH2-CG2 3.29Å; N268-T272 VanDerWaalsContact O-CG2 3.29Å; N268-T272 WeakPolarHBondContact O-CG2 3.39Å; N268-T272 PolarHBondContact O-N 2.79Å; N268-T272 PolarHBondContact O-OG1 2.77Å; N268-T272 VanDerWaalsContact O-OG1 3.06Å; I269-T272 WeakPolarHBondContact CA-OG1 3.47Å; I269-T272 PolarHBondContact O-N 2.89Å; I269-T272 VanDerWaalsContact O-N 3.12Å; I269-T272 PolarHBondContact O-OG1 2.8Å; I269-T272 VanDerWaalsContact O-OG1 3.08Å
273	H	74.5	Confident	81.8	Confident	70 Å²	70	39.4 Å²	39.4	32%	0.324	21%	0.213	S	C	.	.	H	α-helix	trans	-129.7	2.8	-161.5	-66.6	92.3	0	0	0	115.6	Q243 V244 I269	Q243-H273 HydrophobicContact CB-CB 4.02Å; Q243-H273 PolarHBondContact O-CD2 3.28Å; Q243-H273 PolarHBondContact OE1-O 2.78Å; Q243-H273 VanDerWaalsContact OE1-O 3.06Å; V244-H273 HydrophobicContact CG1-CB 4.43Å; I269-H273 HydrophobicContact CG2-CB 4.05Å; I269-H273 PolarHBondContact O-N 3.08Å
274	G	59.8	Low	81.5	Confident	16 Å²	16	42.9 Å²	42.9	17%	0.165	23%	0.227	C	C	.	.			trans	174.8	70.8	178.6	0	0	0	0	0	119.2	Y432	G274-Y432 VanDerWaalsContact O-CE1 3.29Å; G274-Y432 WeakPolarHBondContact O-CE1 3.26Å
275	S	65	Low	81.4	Confident	10 Å²	10	40.7 Å²	40.7	7%	0.07	22%	0.217	C	C	.	.			trans	-143.7	139.7	163.7	163.6	0	0	0	0	108.6	Y270 L277 K278 E429	Y270-S275 PolarHBondContact OH-OG 3.11Å; S275-L277 PolarHBondContact OG-N 3.3Å; S275-K278 WeakPolarHBondContact O-CE 3.28Å; S275-K278 WeakPolarHBondContact O-CG 3.15Å; S275-K278 WeakPolarHBondContact OG-CA 3.44Å; S275-K278 PolarHBondContact OG-N 3.35Å; S275-E429 WeakPolarHBondContact CB-OE2 3.37Å; S275-E429 PolarHBondContact OG-OE1 3Å; S275-E429 VanDerWaalsContact OG-OE1 3.05Å; S275-E429 PolarHBondContact OG-OE2 3.41Å
276	N	64.4	Low	81.5	Confident	149 Å²	149	45.6 Å²	45.6	80%	0.797	24%	0.237	S	C	*	.	S	Bend	trans	-76.4	-36.3	176	-76.9	-20.9	0	0	0	110.9	E429	N276-E429 PolarHBondContact N-OE1 2.71Å
277	L	72.4	Confident	81.4	Confident	70 Å²	70	52 Å²	52	37%	0.366	27%	0.266	S	S	.	.	S	Bend	trans	-87.2	-23.2	-178	-77.6	164.1	0	0	0	113.4	S275 L279 E425 E429	S275-L277 PolarHBondContact OG-N 3.3Å; L277-L279 VanDerWaalsContact C-N 3.3Å; L277-L279 HydrophobicContact CB-CG 4.26Å; L277-L279 PolarHBondContact O-N 3.15Å; L277-L279 VanDerWaalsContact O-N 3.16Å; L277-E425 HydrophobicContact CD1-CB 4.24Å; L277-E425 HydrophobicContact CD1-CG 3.74Å; L277-E429 HydrophobicContact CB-CG 4.17Å; L277-E429 HydrophobicContact CD1-CG 3.85Å; L277-E429 HydrophobicContact CG-CG 4.47Å
278	K	71	Confident	81.5	Confident	108 Å²	108	54.8 Å²	54.8	47%	0.47	28%	0.278	S	S	.	.			trans	36.1	55.9	-178.6	-62.6	-166.3	176.3	-172.3	0	113.3	S275 N280	S275-K278 WeakPolarHBondContact O-CE 3.28Å; S275-K278 WeakPolarHBondContact O-CG 3.15Å; S275-K278 WeakPolarHBondContact OG-CA 3.44Å; S275-K278 PolarHBondContact OG-N 3.35Å; K278-N280 PolarHBondContact O-N 2.81Å
279	L	77	Confident	81.8	Confident	43 Å²	43	54.4 Å²	54.4	23%	0.225	28%	0.276	C	S	.	.			trans	-66.4	98.6	-178.1	-68.3	174.7	0	0	0	111.1	Y270 L277 Y281 L426	Y270-L279 PolarHBondContact OH-N 3.47Å; L277-L279 VanDerWaalsContact C-N 3.3Å; L277-L279 HydrophobicContact CB-CG 4.26Å; L277-L279 PolarHBondContact O-N 3.15Å; L277-L279 VanDerWaalsContact O-N 3.16Å; L279-Y281 VanDerWaalsContact C-N 3.34Å; L279-Y281 HydrophobicContact CB-CD2 4.34Å; L279-Y281 HydrophobicContact CB-CE2 3.85Å; L279-Y281 WeakPolarHBondContact O-CD2 3.48Å; L279-Y281 PolarHBondContact O-N 2.91Å; L279-L426 HydrophobicContact CD1-CD1 3.15Å
280	N	83	Confident	82	Confident	71 Å²	71	62.8 Å²	62.8	38%	0.38	32%	0.315	S	S	.	.			trans	-82.5	80.8	178.6	-169	-15.4	0	0	0	110.5	L271 K278 T282 A283 K284	L271-N280 HydrophobicContact CD2-CB 4.12Å; K278-N280 PolarHBondContact O-N 2.81Å; N280-T282 PolarHBondContact O-N 2.66Å; N280-T282 WeakPolarHBondContact OD1-CB 3.25Å; N280-T282 PolarHBondContact OD1-N 3.21Å; N280-A283 HydrophobicContact CB-CB 4.1Å; N280-A283 WeakPolarHBondContact O-CB 3.41Å; N280-A283 PolarHBondContact O-N 2.81Å; N280-A283 PolarHBondContact OD1-N 2.78Å; N280-A283 VanDerWaalsContact OD1-N 3.09Å; N280-K284 PolarHBondContact O-N 2.85Å
281	Y	84.9	Confident	82.2	Confident	10 Å²	10	66.1 Å²	66.1	4%	0.039	33%	0.332	C	S	.	.	H	α-helix	trans	-57.8	-32.6	177.1	-63.2	-78.2	0	0	0	112.9	L279 A283 K284 L285 M357 L411 I417 K433	L279-Y281 VanDerWaalsContact C-N 3.34Å; L279-Y281 HydrophobicContact CB-CD2 4.34Å; L279-Y281 HydrophobicContact CB-CE2 3.85Å; L279-Y281 WeakPolarHBondContact O-CD2 3.48Å; L279-Y281 PolarHBondContact O-N 2.91Å; Y281-A283 VanDerWaalsContact C-N 3.33Å; Y281-A283 PolarHBondContact O-N 3.42Å; Y281-K284 CarbonylContact O-C 3.6Å; Y281-K284 PolarHBondContact O-N 2.96Å; Y281-K284 VanDerWaalsContact O-N 3.15Å; Y281-L285 VanDerWaalsContact O-CG 3.32Å; Y281-L285 WeakPolarHBondContact O-CG 3.28Å; Y281-L285 PolarHBondContact O-N 3.4Å; Y281-M357 VanDerWaalsContact CB-SD 3.6Å; Y281-M357 HydrophobicContact CG-SD 4.23Å; Y281-L411 HydrophobicContact CD1-CD1 3.62Å; Y281-L411 HydrophobicContact CE1-CD1 3.27Å; Y281-I417 HydrophobicContact CD1-CG2 4.1Å; Y281-I417 HydrophobicContact CE1-CG2 3.99Å; Y281-K433 HydrophobicContact CD2-CD 4.03Å; Y281-K433 HydrophobicContact CE2-CD 3.83Å
282	T	87.6	Confident	82.7	Confident	37 Å²	37	64.5 Å²	64.5	23%	0.227	32%	0.323	C	S	.	.	H	α-helix	trans	-62.4	-40	175.1	-67.1	0	0	0	0	111.7	N280 K284 L285 K286 A356 M357	N280-T282 PolarHBondContact O-N 2.66Å; N280-T282 WeakPolarHBondContact OD1-CB 3.25Å; N280-T282 PolarHBondContact OD1-N 3.21Å; T282-K284 VanDerWaalsContact C-N 3.31Å; T282-K284 PolarHBondContact O-N 3.15Å; T282-L285 PolarHBondContact O-N 3.14Å; T282-K286 HydrophobicContact CG2-CD 4.48Å; T282-K286 WeakPolarHBondContact O-CG 3.35Å; T282-K286 PolarHBondContact O-N 3.42Å; T282-K286 VanDerWaalsContact O-N 3.08Å; T282-A356 HydrophobicContact CG2-CB 4.04Å; T282-M357 PolarHBondContact OG1-N 2.93Å
283	A	89.1	Confident	83.3	Confident	39 Å²	39	66.2 Å²	66.2	32%	0.322	33%	0.328	S	S	.	.	H	α-helix	trans	-61.9	-41.5	174.1	0	0	0	0	0	111.4	N280 Y281 K286 E287	N280-A283 HydrophobicContact CB-CB 4.1Å; N280-A283 WeakPolarHBondContact O-CB 3.41Å; N280-A283 PolarHBondContact O-N 2.81Å; N280-A283 PolarHBondContact OD1-N 2.78Å; N280-A283 VanDerWaalsContact OD1-N 3.09Å; Y281-A283 VanDerWaalsContact C-N 3.33Å; Y281-A283 PolarHBondContact O-N 3.42Å; A283-K286 PolarHBondContact O-N 2.71Å; A283-E287 WeakPolarHBondContact O-CG 3.28Å; A283-E287 PolarHBondContact O-N 2.64Å
284	K	89.3	Confident	84.2	Confident	77 Å²	77	65.6 Å²	65.6	34%	0.335	33%	0.327	S	S	.	.	H	α-helix	trans	-67.3	-37.2	176.5	-67.6	-50.4	-174.7	-167	0	114.2	N280 Y281 T282 K286 E287 K288 L416 I417	N280-K284 PolarHBondContact O-N 2.85Å; Y281-K284 CarbonylContact O-C 3.6Å; Y281-K284 PolarHBondContact O-N 2.96Å; Y281-K284 VanDerWaalsContact O-N 3.15Å; T282-K284 VanDerWaalsContact C-N 3.31Å; T282-K284 PolarHBondContact O-N 3.15Å; K284-K286 VanDerWaalsContact C-N 3.3Å; K284-K286 PolarHBondContact O-N 3.12Å; K284-E287 WeakPolarHBondContact CD-OE2 3.24Å; K284-E287 IonicContact NZ-OE1 3.1Å; K284-E287 PolarHBondContact NZ-OE1 2.93Å; K284-E287 IonicContact NZ-OE2 3.38Å; K284-E287 PolarHBondContact NZ-OE2 3.29Å; K284-E287 PolarHBondContact O-N 3.04Å; K284-K288 PolarHBondContact O-N 3.31Å; K284-K288 VanDerWaalsContact O-N 3.15Å; K284-L416 WeakPolarHBondContact CB-O 3.29Å; K284-I417 HydrophobicContact CG-CG2 4.4Å
285	L	92.1	Very high	85.8	Confident	3 Å²	3	64.9 Å²	64.9	2%	0.016	32%	0.319	C	S	.	.	H	α-helix	trans	-60.7	-42.4	171.9	-71	167.5	0	0	0	110.9	Y281 T282 E287 K288 F289 M295 V355 M357 L360 L416	Y281-L285 VanDerWaalsContact O-CG 3.32Å; Y281-L285 WeakPolarHBondContact O-CG 3.28Å; Y281-L285 PolarHBondContact O-N 3.4Å; T282-L285 PolarHBondContact O-N 3.14Å; L285-E287 VanDerWaalsContact C-N 3.32Å; L285-E287 PolarHBondContact O-N 3.27Å; L285-K288 PolarHBondContact O-N 2.87Å; L285-K288 VanDerWaalsContact O-N 3.15Å; L285-F289 HydrophobicContact CB-CD2 4.42Å; L285-F289 HydrophobicContact CD2-CD2 3.81Å; L285-F289 HydrophobicContact CD2-CE2 3.57Å; L285-F289 PolarHBondContact O-N 3.49Å; L285-M295 HydrophobicContact CD1-SD 4.43Å; L285-M295 HydrophobicContact CD2-SD 4.38Å; L285-V355 HydrophobicContact CB-CG1 3.73Å; L285-V355 WeakPolarHBondContact O-CG1 3.48Å; L285-M357 HydrophobicContact CD1-CB 4.18Å; L285-M357 HydrophobicContact CD1-SD 4.04Å; L285-L360 HydrophobicContact CD1-CD2 4.17Å; L285-L360 HydrophobicContact CD2-CD2 3.97Å; L285-L416 HydrophobicContact CD2-CD1 4.06Å; L285-L416 HydrophobicContact CD2-CD2 3.57Å; L285-L416 HydrophobicContact CG-CD2 4.33Å
286	K	92.7	Very high	87.3	Confident	119 Å²	119	64.7 Å²	64.7	52%	0.517	32%	0.318	S	S	.	.	H	α-helix	trans	-68.1	-27.7	177.5	-70.7	178.8	178.8	-175.1	0	113.9	T282 A283 K284 V355	T282-K286 HydrophobicContact CG2-CD 4.48Å; T282-K286 WeakPolarHBondContact O-CG 3.35Å; T282-K286 PolarHBondContact O-N 3.42Å; T282-K286 VanDerWaalsContact O-N 3.08Å; A283-K286 PolarHBondContact O-N 2.71Å; K284-K286 VanDerWaalsContact C-N 3.3Å; K284-K286 PolarHBondContact O-N 3.12Å; K286-V355 WeakPolarHBondContact CE-O 3.37Å; K286-V355 HydrophobicContact CG-CB 4.1Å; K286-V355 HydrophobicContact CG-CG1 3.96Å; K286-V355 WeakPolarHBondContact CG-O 3.18Å
287	E	92.2	Very high	88.7	Confident	135 Å²	135	62.5 Å²	62.5	63%	0.631	30%	0.303	S	S	*	.	H	α-helix	trans	-69.8	-35	171	-70.4	170.6	-154.3	0	0	111.6	A283 K284 L285	A283-E287 WeakPolarHBondContact O-CG 3.28Å; A283-E287 PolarHBondContact O-N 2.64Å; K284-E287 WeakPolarHBondContact CD-OE2 3.24Å; K284-E287 IonicContact NZ-OE1 3.1Å; K284-E287 PolarHBondContact NZ-OE1 2.93Å; K284-E287 IonicContact NZ-OE2 3.38Å; K284-E287 PolarHBondContact NZ-OE2 3.29Å; K284-E287 PolarHBondContact O-N 3.04Å; L285-E287 VanDerWaalsContact C-N 3.32Å; L285-E287 PolarHBondContact O-N 3.27Å
288	K	90.8	Very high	89.7	Confident	85 Å²	85	60.4 Å²	60.4	37%	0.37	29%	0.294	S	S	.	.	H	α-helix	trans	-90	-40.3	-174.7	-173.1	178.3	178.4	-177.7	0	114	K284 L285 S414 L416	K284-K288 PolarHBondContact O-N 3.31Å; K284-K288 VanDerWaalsContact O-N 3.15Å; L285-K288 PolarHBondContact O-N 2.87Å; L285-K288 VanDerWaalsContact O-N 3.15Å; K288-S414 PolarHBondContact NZ-O 3.24Å; K288-L416 HydrophobicContact CB-CD2 3.97Å; K288-L416 HydrophobicContact CD-CD2 3.32Å; K288-L416 HydrophobicContact CD-CG 3.74Å; K288-L416 HydrophobicContact CG-CD2 4.26Å
289	F	93	Very high	90.8	Very high	15 Å²	15	55.2 Å²	55.2	7%	0.066	27%	0.271	C	S	.	.			trans	-112.4	120.5	-173.3	-58.1	-62	0	0	0	110.1	L285 N294 M295 V355 L416	L285-F289 HydrophobicContact CB-CD2 4.42Å; L285-F289 HydrophobicContact CD2-CD2 3.81Å; L285-F289 HydrophobicContact CD2-CE2 3.57Å; L285-F289 PolarHBondContact O-N 3.49Å; F289-N294 HydrophobicContact CD1-CB 3.94Å; F289-M295 HydrophobicContact CB-CB 4.42Å; F289-M295 HydrophobicContact CD2-CB 3.98Å; F289-M295 HydrophobicContact CD2-CG 3.96Å; F289-M295 HydrophobicContact CD2-SD 4.47Å; F289-M295 HydrophobicContact CE2-CB 4.33Å; F289-M295 HydrophobicContact CE2-CG 4.02Å; F289-M295 HydrophobicContact CG-CB 4.08Å; F289-V355 HydrophobicContact CB-CG1 3.93Å; F289-V355 HydrophobicContact CB-CG2 4.3Å; F289-V355 HydrophobicContact CD2-CG1 4.48Å; F289-L416 HydrophobicContact CE2-CD2 4.05Å
290	E	92.2	Very high	91.6	Very high	176 Å²	176	54 Å²	54	82%	0.822	27%	0.265	S	S	*	.	S	Bend	trans	-68.1	-42.8	177.2	-172.2	-179.8	-179.1	0	0	111.5
291	I	92.7	Very high	92.1	Very high	72 Å²	72	56.6 Å²	56.6	37%	0.369	27%	0.273	S	S	.	.	S	Bend	trans	-136.7	159.7	-179.5	62.8	172.3	0	0	0	111.3	K293 N294	I291-K293 HydrophobicContact CD1-CB 3.87Å; I291-K293 HydrophobicContact CG1-CB 4.11Å; I291-K293 PolarHBondContact O-N 2.81Å; I291-K293 VanDerWaalsContact O-N 3.16Å; I291-N294 WeakPolarHBondContact CG1-OD1 3.34Å; I291-N294 PolarHBondContact O-N 3.25Å; I291-N294 VanDerWaalsContact O-N 3.14Å
292	Q	92.8	Very high	92.5	Very high	21 Å²	21	56.6 Å²	56.6	10%	0.098	27%	0.273	C	S	.	.	H	α-helix	trans	-59.4	-25.5	-179.3	68.6	-71.2	-13.9	0	0	113.7	M295 L296 V322 A353 M363	Q292-M295 WeakPolarHBondContact O-CB 3.49Å; Q292-M295 PolarHBondContact O-N 2.81Å; Q292-L296 PolarHBondContact O-N 2.94Å; Q292-V322 HydrophobicContact CB-CG1 4.1Å; Q292-V322 HydrophobicContact CG-CG1 3.56Å; Q292-V322 PolarHBondContact NE2-O 3.17Å; Q292-A353 HydrophobicContact CB-CB 3.96Å; Q292-A353 HydrophobicContact CG-CB 4.12Å; Q292-M363 HydrophobicContact CB-CE 4.21Å
293	K	92.7	Very high	92.8	Very high	65 Å²	65	54.8 Å²	54.8	28%	0.283	26%	0.262	S	S	.	.	H	α-helix	trans	-63.4	-45.6	175.1	-179	176.3	173.1	172.8	0	111.9	I291 M295 L296 E297 D317	I291-K293 HydrophobicContact CD1-CB 3.87Å; I291-K293 HydrophobicContact CG1-CB 4.11Å; I291-K293 PolarHBondContact O-N 2.81Å; I291-K293 VanDerWaalsContact O-N 3.16Å; K293-M295 PolarHBondContact O-N 3.3Å; K293-L296 WeakPolarHBondContact O-CB 3.28Å; K293-L296 PolarHBondContact O-N 3.25Å; K293-L296 VanDerWaalsContact O-N 3.09Å; K293-E297 VanDerWaalsContact CE-OE1 3.29Å; K293-E297 WeakPolarHBondContact CE-OE1 3.19Å; K293-E297 WeakPolarHBondContact O-CG 3.46Å; K293-E297 PolarHBondContact O-N 3.45Å; K293-D317 WeakPolarHBondContact CD-OD1 3.31Å; K293-D317 WeakPolarHBondContact CE-OD1 3.23Å; K293-D317 IonicContact NZ-OD1 3.25Å; K293-D317 PolarHBondContact NZ-OD1 3.08Å; K293-D317 IonicContact NZ-OD2 2.68Å; K293-D317 PolarHBondContact NZ-OD2 2.95Å
294	N	93.4	Very high	92.9	Very high	57 Å²	57	56.7 Å²	56.7	31%	0.305	27%	0.267	S	S	.	.	H	α-helix	trans	-63.2	-32.7	177.7	-58.3	39.8	0	0	0	111.2	F289 I291 S298	F289-N294 HydrophobicContact CD1-CB 3.94Å; I291-N294 WeakPolarHBondContact CG1-OD1 3.34Å; I291-N294 PolarHBondContact O-N 3.25Å; I291-N294 VanDerWaalsContact O-N 3.14Å; N294-S298 PolarHBondContact O-N 3.34Å; N294-S298 VanDerWaalsContact O-N 3.09Å
295	M	94.6	Very high	92.9	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-66.5	-43.2	174.1	-169.5	171.2	76.4	0	0	111.5	L285 F289 Q292 K293 S298 C299 E354 V355 D359 L360 M363	L285-M295 HydrophobicContact CD1-SD 4.43Å; L285-M295 HydrophobicContact CD2-SD 4.38Å; F289-M295 HydrophobicContact CB-CB 4.42Å; F289-M295 HydrophobicContact CD2-CB 3.98Å; F289-M295 HydrophobicContact CD2-CG 3.96Å; F289-M295 HydrophobicContact CD2-SD 4.47Å; F289-M295 HydrophobicContact CE2-CB 4.33Å; F289-M295 HydrophobicContact CE2-CG 4.02Å; F289-M295 HydrophobicContact CG-CB 4.08Å; Q292-M295 WeakPolarHBondContact O-CB 3.49Å; Q292-M295 PolarHBondContact O-N 2.81Å; K293-M295 PolarHBondContact O-N 3.3Å; M295-S298 WeakPolarHBondContact O-CB 3.11Å; M295-S298 PolarHBondContact O-N 2.93Å; M295-C299 PolarHBondContact O-N 3.25Å; M295-C299 VanDerWaalsContact O-N 3.16Å; M295-C299 PolarHBondContact O-SG 3.32Å; M295-E354 WeakPolarHBondContact CE-O 3.46Å; M295-V355 HydrophobicContact SD-CG1 4.31Å; M295-D359 HydrophobicContact CE-CB 4.08Å; M295-L360 HydrophobicContact CE-CB 4.06Å; M295-L360 HydrophobicContact CG-CB 4.43Å; M295-L360 HydrophobicContact CG-CD1 3.48Å; M295-L360 VanDerWaalsContact CG-CD1 3.48Å; M295-L360 HydrophobicContact SD-CB 3.86Å; M295-L360 HydrophobicContact SD-CD1 4.04Å; M295-L360 HydrophobicContact SD-CG 4.48Å; M295-M363 HydrophobicContact CB-SD 4.35Å; M295-M363 HydrophobicContact CE-CE 3.4Å; M295-M363 HydrophobicContact CE-SD 3.58Å; M295-M363 VanDerWaalsContact CE-SD 3.58Å; M295-M363 HydrophobicContact CG-SD 4.19Å
296	L	95.4	Very high	92.8	Very high	7 Å²	7	56.5 Å²	56.5	4%	0.037	27%	0.268	C	S	.	.	H	α-helix	trans	-62.1	-45.9	173.5	174.4	65.2	0	0	0	111.8	Q292 K293 S298 C299 V300 C314 C320 V322 M349 M363 V367	Q292-L296 PolarHBondContact O-N 2.94Å; K293-L296 WeakPolarHBondContact O-CB 3.28Å; K293-L296 PolarHBondContact O-N 3.25Å; K293-L296 VanDerWaalsContact O-N 3.09Å; L296-S298 PolarHBondContact O-N 2.68Å; L296-C299 WeakPolarHBondContact O-CA 3.38Å; L296-C299 VanDerWaalsContact O-CB 3.29Å; L296-C299 WeakPolarHBondContact O-CB 3.4Å; L296-C299 PolarHBondContact O-N 3.35Å; L296-V300 HydrophobicContact CD1-CG2 4.35Å; L296-V300 PolarHBondContact O-N 2.87Å; L296-C314 HydrophobicContact CD2-CB 4.39Å; L296-C320 HydrophobicContact CD2-CB 3.57Å; L296-V322 HydrophobicContact CD2-CB 4.35Å; L296-V322 HydrophobicContact CD2-CG2 3.52Å; L296-V322 HydrophobicContact CG-CG2 4.49Å; L296-M349 HydrophobicContact CD1-CE 4.43Å; L296-M349 HydrophobicContact CD1-SD 4.28Å; L296-M363 HydrophobicContact CB-SD 3.85Å; L296-M363 HydrophobicContact CD1-CB 4.33Å; L296-M363 HydrophobicContact CD1-CG 4.27Å; L296-M363 HydrophobicContact CD1-SD 4.44Å; L296-V367 HydrophobicContact CD1-CG2 3.55Å
297	E	94	Very high	92.7	Very high	103 Å²	103	52.2 Å²	52.2	48%	0.481	26%	0.257	S	S	.	.	H	α-helix	trans	-56.8	-38.9	176.8	-72.2	171	-179	0	0	111.2	K293 C299 V300 K301	K293-E297 VanDerWaalsContact CE-OE1 3.29Å; K293-E297 WeakPolarHBondContact CE-OE1 3.19Å; K293-E297 WeakPolarHBondContact O-CG 3.46Å; K293-E297 PolarHBondContact O-N 3.45Å; E297-C299 VanDerWaalsContact C-N 3.34Å; E297-C299 PolarHBondContact O-N 3.18Å; E297-V300 PolarHBondContact O-N 3.35Å; E297-K301 VanDerWaalsContact O-CB 3.29Å; E297-K301 WeakPolarHBondContact O-CB 3.48Å; E297-K301 PolarHBondContact O-N 2.89Å
298	S	92.5	Very high	92.8	Very high	25 Å²	25	45.8 Å²	45.8	18%	0.175	23%	0.227	C	C	.	.	H	α-helix	trans	-65.2	-34.5	174	-168.6	0	0	0	0	113	N294 M295 L296 Y302	N294-S298 PolarHBondContact O-N 3.34Å; N294-S298 VanDerWaalsContact O-N 3.09Å; M295-S298 WeakPolarHBondContact O-CB 3.11Å; M295-S298 PolarHBondContact O-N 2.93Å; L296-S298 PolarHBondContact O-N 2.68Å; S298-Y302 PolarHBondContact O-N 3.22Å; S298-Y302 VanDerWaalsContact O-N 3.1Å
299	C	94.3	Very high	92.8	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-65.8	-51.3	175	-60.2	0	0	0	0	110.5	M295 L296 E297 K301 Y302 F303 L360 F364 V367	M295-C299 PolarHBondContact O-N 3.25Å; M295-C299 VanDerWaalsContact O-N 3.16Å; M295-C299 PolarHBondContact O-SG 3.32Å; L296-C299 WeakPolarHBondContact O-CA 3.38Å; L296-C299 VanDerWaalsContact O-CB 3.29Å; L296-C299 WeakPolarHBondContact O-CB 3.4Å; L296-C299 PolarHBondContact O-N 3.35Å; E297-C299 VanDerWaalsContact C-N 3.34Å; E297-C299 PolarHBondContact O-N 3.18Å; C299-K301 VanDerWaalsContact C-N 3.29Å; C299-K301 PolarHBondContact O-N 3.26Å; C299-Y302 WeakPolarHBondContact O-CB 3.25Å; C299-Y302 PolarHBondContact O-N 3.33Å; C299-Y302 VanDerWaalsContact O-N 3.09Å; C299-F303 WeakPolarHBondContact O-CD2 3.27Å; C299-F303 PolarHBondContact O-N 3.5Å; C299-L360 WeakPolarHBondContact SG-CD1 3.42Å; C299-F364 HydrophobicContact CB-CD1 4.29Å; C299-F364 HydrophobicContact CB-CE1 4.07Å; C299-F364 HydrophobicContact CB-CZ 4.25Å; C299-V367 HydrophobicContact CB-CG2 4.45Å
300	V	95.2	Very high	92.8	Very high	17 Å²	17	44.1 Å²	44.1	10%	0.103	22%	0.223	C	C	.	.	H	α-helix	trans	-58.8	-44.1	179.3	178	0	0	0	0	110.4	L296 E297 Y302 F303 N304 T310 V313 C314 V367	L296-V300 HydrophobicContact CD1-CG2 4.35Å; L296-V300 PolarHBondContact O-N 2.87Å; E297-V300 PolarHBondContact O-N 3.35Å; V300-Y302 VanDerWaalsContact C-N 3.3Å; V300-Y302 PolarHBondContact O-N 3.29Å; V300-F303 PolarHBondContact O-N 2.98Å; V300-N304 PolarHBondContact O-N 2.93Å; V300-T310 HydrophobicContact CG1-CG2 4.34Å; V300-V313 HydrophobicContact CG2-CG1 4.31Å; V300-C314 HydrophobicContact CG2-CB 4.1Å; V300-V367 HydrophobicContact CG2-CG1 4.08Å; V300-V367 HydrophobicContact CG2-CG2 3.93Å
301	K	92.6	Very high	92.6	Very high	125 Å²	125	41.2 Å²	41.2	54%	0.543	21%	0.213	S	C	.	.	H	α-helix	trans	-58.7	-41.4	175.8	-170.5	-174.6	-176.1	-121.7	0	112.1	E297 C299 N304 E305	E297-K301 VanDerWaalsContact O-CB 3.29Å; E297-K301 WeakPolarHBondContact O-CB 3.48Å; E297-K301 PolarHBondContact O-N 2.89Å; C299-K301 VanDerWaalsContact C-N 3.29Å; C299-K301 PolarHBondContact O-N 3.26Å; K301-N304 WeakPolarHBondContact O-CB 3.31Å; K301-N304 PolarHBondContact O-N 3.5Å; K301-N304 VanDerWaalsContact O-N 3.14Å; K301-E305 WeakPolarHBondContact CE-OE1 3.39Å; K301-E305 HydrophobicContact CG-CG 4.41Å; K301-E305 IonicContact NZ-OE1 3.86Å; K301-E305 PolarHBondContact NZ-OE1 2.9Å; K301-E305 WeakPolarHBondContact O-CG 3.31Å; K301-E305 PolarHBondContact O-N 3.49Å
302	Y	92.6	Very high	92.4	Very high	10 Å²	10	40 Å²	40	4%	0.039	21%	0.211	C	C	.	.	H	α-helix	trans	-64.5	-40.8	-179.8	-169.3	-112.4	0	0	0	112.3	S298 C299 V300 N304 E305 I306 F364 V401 A404 F405 N545	S298-Y302 PolarHBondContact O-N 3.22Å; S298-Y302 VanDerWaalsContact O-N 3.1Å; C299-Y302 WeakPolarHBondContact O-CB 3.25Å; C299-Y302 PolarHBondContact O-N 3.33Å; C299-Y302 VanDerWaalsContact O-N 3.09Å; V300-Y302 VanDerWaalsContact C-N 3.3Å; V300-Y302 PolarHBondContact O-N 3.29Å; Y302-N304 VanDerWaalsContact C-N 3.27Å; Y302-N304 PolarHBondContact O-N 3.24Å; Y302-E305 PolarHBondContact O-N 2.9Å; Y302-I306 HydrophobicContact CD1-CG2 4.49Å; Y302-I306 HydrophobicContact CE1-CG2 4.09Å; Y302-I306 HydrophobicContact CE2-CG2 4.25Å; Y302-I306 WeakPolarHBondContact O-CG2 3.38Å; Y302-I306 PolarHBondContact O-N 3.25Å; Y302-I306 VanDerWaalsContact O-N 3.07Å; Y302-F364 AromaticContact CD1-CE1 3.89Å; Y302-F364 HydrophobicContact CD1-CE1 3.89Å; Y302-F364 HydrophobicContact CD1-CZ 4.33Å; Y302-F364 HydrophobicContact CG-CE1 4.46Å; Y302-V401 HydrophobicContact CD1-CG1 3.58Å; Y302-V401 HydrophobicContact CE1-CG1 3.78Å; Y302-A404 HydrophobicContact CE1-CB 4.48Å; Y302-F405 HydrophobicContact CD1-CB 4.12Å; Y302-F405 AromaticContact CD1-CD2 3.87Å; Y302-F405 HydrophobicContact CD1-CD2 3.87Å; Y302-F405 HydrophobicContact CD1-CG 4.45Å; Y302-F405 AromaticContact CD2-CD2 3.88Å; Y302-F405 HydrophobicContact CD2-CD2 3.88Å; Y302-F405 HydrophobicContact CD2-CE2 4.39Å; Y302-F405 HydrophobicContact CE1-CB 3.83Å; Y302-F405 HydrophobicContact CE1-CD2 4.11Å; Y302-F405 HydrophobicContact CE1-CG 4.49Å; Y302-F405 HydrophobicContact CE2-CD2 4.12Å; Y302-F405 AromaticContact CG-CD2 3.76Å; Y302-F405 HydrophobicContact CG-CD2 3.76Å; Y302-F405 HydrophobicContact CG-CE2 4.4Å; Y302-N545 WeakPolarHBondContact CE2-OD1 3.46Å; Y302-N545 PolarHBondContact OH-OD1 3.17Å
303	F	93.9	Very high	92.3	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-58.2	-39.8	171.8	-84.3	-85.8	0	0	0	112.4	C299 V300 I306 G307 F308 T310 F364 V367 V371 L397 V401	C299-F303 WeakPolarHBondContact O-CD2 3.27Å; C299-F303 PolarHBondContact O-N 3.5Å; V300-F303 PolarHBondContact O-N 2.98Å; F303-I306 VanDerWaalsContact O-CG1 3.25Å; F303-I306 WeakPolarHBondContact O-CG1 2.77Å; F303-G307 PolarHBondContact O-N 3.43Å; F303-F308 AromaticContact CD1-CD2 3.87Å; F303-F308 HydrophobicContact CD1-CD2 3.87Å; F303-F308 HydrophobicContact CD1-CE2 4.43Å; F303-F308 HydrophobicContact CD1-CG 4.48Å; F303-F308 WeakPolarHBondContact O-CB 3.17Å; F303-F308 PolarHBondContact O-N 2.93Å; F303-T310 HydrophobicContact CB-CG2 3.64Å; F303-F364 HydrophobicContact CD2-CD1 4.39Å; F303-F364 AromaticContact CE2-CD1 3.72Å; F303-F364 HydrophobicContact CE2-CD1 3.72Å; F303-F364 HydrophobicContact CE2-CE1 4.37Å; F303-F364 HydrophobicContact CZ-CD1 4.44Å; F303-V367 HydrophobicContact CD2-CB 4.25Å; F303-V367 HydrophobicContact CD2-CG1 3.38Å; F303-V367 HydrophobicContact CE2-CB 3.85Å; F303-V367 HydrophobicContact CE2-CG1 3.45Å; F303-V367 VanDerWaalsContact CE2-CG1 3.45Å; F303-V367 HydrophobicContact CG-CG1 4.18Å; F303-V367 HydrophobicContact CZ-CG1 4.3Å; F303-V371 HydrophobicContact CB-CG2 4.41Å; F303-V371 HydrophobicContact CD1-CG1 4.47Å; F303-V371 HydrophobicContact CD1-CG2 4.04Å; F303-V371 HydrophobicContact CE1-CG2 4.48Å; F303-V371 HydrophobicContact CG-CG2 4.19Å; F303-L397 HydrophobicContact CE1-CD2 4.47Å; F303-L397 HydrophobicContact CE1-CG 4.21Å; F303-V401 HydrophobicContact CD1-CG1 4.32Å; F303-V401 HydrophobicContact CD1-CG2 4.17Å; F303-V401 HydrophobicContact CD2-CG1 4.34Å; F303-V401 HydrophobicContact CE1-CB 3.94Å; F303-V401 HydrophobicContact CE1-CG1 4.04Å; F303-V401 HydrophobicContact CE1-CG2 3.61Å; F303-V401 HydrophobicContact CE2-CB 4.49Å; F303-V401 HydrophobicContact CE2-CG1 4.07Å; F303-V401 HydrophobicContact CG-CG1 4.48Å; F303-V401 HydrophobicContact CZ-CB 3.87Å; F303-V401 HydrophobicContact CZ-CG1 3.92Å; F303-V401 HydrophobicContact CZ-CG2 4.08Å
304	N	92.4	Very high	92.3	Very high	79 Å²	79	37.6 Å²	37.6	42%	0.422	20%	0.204	S	C	.	.	H	α-helix	trans	-66.8	-42.5	175.9	-171.5	68.3	0	0	0	112.4	V300 K301 Y302 I306 G307 F308 T310	V300-N304 PolarHBondContact O-N 2.93Å; K301-N304 WeakPolarHBondContact O-CB 3.31Å; K301-N304 PolarHBondContact O-N 3.5Å; K301-N304 VanDerWaalsContact O-N 3.14Å; Y302-N304 VanDerWaalsContact C-N 3.27Å; Y302-N304 PolarHBondContact O-N 3.24Å; N304-I306 VanDerWaalsContact C-N 3.32Å; N304-I306 PolarHBondContact O-N 2.9Å; N304-G307 PolarHBondContact O-N 2.86Å; N304-F308 WeakPolarHBondContact CA-O 3.47Å; N304-F308 PolarHBondContact OD1-O 3.12Å; N304-T310 HydrophobicContact CB-CG2 4.24Å
305	E	89.9	Confident	92	Very high	73 Å²	73	38.3 Å²	38.3	34%	0.341	21%	0.211	S	C	.	.	H	α-helix	trans	-62.2	-35.5	178.7	-74.3	174.7	176.1	0	0	113	K301 Y302 G307	K301-E305 WeakPolarHBondContact CE-OE1 3.39Å; K301-E305 HydrophobicContact CG-CG 4.41Å; K301-E305 IonicContact NZ-OE1 3.86Å; K301-E305 PolarHBondContact NZ-OE1 2.9Å; K301-E305 WeakPolarHBondContact O-CG 3.31Å; K301-E305 PolarHBondContact O-N 3.49Å; Y302-E305 PolarHBondContact O-N 2.9Å; E305-G307 PolarHBondContact O-N 3.21Å
306	I	89.7	Confident	91.7	Very high	3 Å²	3	41 Å²	41	2%	0.015	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-2.8	176.2	69.4	176.6	0	0	0	112.9	Y302 F303 N304 F308 V401 I544 I547	Y302-I306 HydrophobicContact CD1-CG2 4.49Å; Y302-I306 HydrophobicContact CE1-CG2 4.09Å; Y302-I306 HydrophobicContact CE2-CG2 4.25Å; Y302-I306 WeakPolarHBondContact O-CG2 3.38Å; Y302-I306 PolarHBondContact O-N 3.25Å; Y302-I306 VanDerWaalsContact O-N 3.07Å; F303-I306 VanDerWaalsContact O-CG1 3.25Å; F303-I306 WeakPolarHBondContact O-CG1 2.77Å; N304-I306 VanDerWaalsContact C-N 3.32Å; N304-I306 PolarHBondContact O-N 2.9Å; I306-F308 HydrophobicContact CD1-CD2 3.7Å; I306-F308 HydrophobicContact CD1-CE2 3.61Å; I306-F308 HydrophobicContact CG1-CD2 3.68Å; I306-F308 HydrophobicContact CG1-CE2 3.98Å; I306-V401 HydrophobicContact CD1-CB 4.44Å; I306-V401 HydrophobicContact CD1-CG1 3.95Å; I306-V401 HydrophobicContact CD1-CG2 3.6Å; I306-I544 HydrophobicContact CD1-CD1 4.12Å; I306-I544 HydrophobicContact CG2-CD1 4.33Å; I306-I544 HydrophobicContact CG2-CG1 4.03Å; I306-I544 WeakPolarHBondContact CG2-O 3.35Å; I306-I547 HydrophobicContact CB-CD1 4.16Å
307	G	90.9	Very high	91.1	Very high	28 Å²	28	45.1 Å²	45.1	29%	0.289	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	110.2	6.1	169.1	0	0	0	0	0	116.5	F303 N304 E305 K555	F303-G307 PolarHBondContact O-N 3.43Å; N304-G307 PolarHBondContact O-N 2.86Å; E305-G307 PolarHBondContact O-N 3.21Å; G307-K555 WeakPolarHBondContact O-CE 3.14Å; G307-K555 PolarHBondContact O-NZ 2.92Å
308	F	92.9	Very high	90.7	Very high	1 Å²	1	46 Å²	46	0%	0.004	25%	0.254	C	S	.	.			trans	-80.7	146.6	174.2	-67.1	-74.8	0	0	0	112	F303 N304 I306 T310 V371 Y375 L397 F527 I551 V554 K555 L558	F303-F308 AromaticContact CD1-CD2 3.87Å; F303-F308 HydrophobicContact CD1-CD2 3.87Å; F303-F308 HydrophobicContact CD1-CE2 4.43Å; F303-F308 HydrophobicContact CD1-CG 4.48Å; F303-F308 WeakPolarHBondContact O-CB 3.17Å; F303-F308 PolarHBondContact O-N 2.93Å; N304-F308 WeakPolarHBondContact CA-O 3.47Å; N304-F308 PolarHBondContact OD1-O 3.12Å; I306-F308 HydrophobicContact CD1-CD2 3.7Å; I306-F308 HydrophobicContact CD1-CE2 3.61Å; I306-F308 HydrophobicContact CG1-CD2 3.68Å; I306-F308 HydrophobicContact CG1-CE2 3.98Å; F308-T310 PolarHBondContact O-N 3.14Å; F308-V371 HydrophobicContact CB-CG1 3.9Å; F308-V371 HydrophobicContact CD1-CG1 3.98Å; F308-V371 HydrophobicContact CG-CG1 3.97Å; F308-Y375 HydrophobicContact CB-CE2 4.46Å; F308-Y375 AromaticContact CD1-CE2 3.7Å; F308-Y375 HydrophobicContact CD1-CE2 3.7Å; F308-L397 HydrophobicContact CE1-CD1 4.38Å; F308-L397 HydrophobicContact CE2-CD1 4.04Å; F308-L397 HydrophobicContact CZ-CD1 3.65Å; F308-F527 HydrophobicContact CZ-CZ 4.46Å; F308-I551 HydrophobicContact CD2-CD1 4.46Å; F308-I551 HydrophobicContact CE1-CD1 3.96Å; F308-I551 HydrophobicContact CE1-CG1 4.48Å; F308-I551 HydrophobicContact CE2-CD1 3.79Å; F308-I551 HydrophobicContact CZ-CD1 3.5Å; F308-I551 VanDerWaalsContact CZ-CD1 3.5Å; F308-I551 HydrophobicContact CZ-CG1 4.44Å; F308-V554 HydrophobicContact CE1-CG1 4.11Å; F308-V554 HydrophobicContact CZ-CG1 4.03Å; F308-K555 HydrophobicContact CD1-CG 4.32Å; F308-K555 HydrophobicContact CE1-CG 4.34Å; F308-L558 HydrophobicContact CD1-CD1 4.29Å; F308-L558 HydrophobicContact CE1-CD1 3.72Å
309	N	90.9	Very high	90.4	Very high	51 Å²	51	45.7 Å²	45.7	27%	0.273	25%	0.249	S	C	.	.			trans	-79	114.3	172.2	-179.5	-63	0	0	0	110	D311 N374 Y375 K378	N309-D311 PolarHBondContact ND2-OD2 3.17Å; N309-D311 PolarHBondContact OD1-N 2.96Å; N309-D311 PolarHBondContact OD1-OD2 3.39Å; N309-N374 PolarHBondContact O-ND2 3.48Å; N309-N374 PolarHBondContact OD1-ND2 2.96Å; N309-Y375 PolarHBondContact N-OH 2.91Å; N309-K378 PolarHBondContact OD1-NZ 2.88Å
310	T	92.7	Very high	90.3	Very high	13 Å²	13	46 Å²	46	8%	0.08	25%	0.251	C	S	.	.			trans	-112.1	13.2	179.1	65.5	0	0	0	0	113.5	V300 F303 N304 F308 S312 V313 V371	V300-T310 HydrophobicContact CG1-CG2 4.34Å; F303-T310 HydrophobicContact CB-CG2 3.64Å; N304-T310 HydrophobicContact CB-CG2 4.24Å; F308-T310 PolarHBondContact O-N 3.14Å; T310-S312 PolarHBondContact O-N 3.37Å; T310-V313 PolarHBondContact O-N 2.99Å; T310-V371 HydrophobicContact CG2-CG2 4.12Å
311	D	89.3	Confident	90	Very high	115 Å²	115	46 Å²	46	62%	0.615	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-26.9	-171.7	-61.1	-31.4	0	0	0	113.5	N309 T315	N309-D311 PolarHBondContact ND2-OD2 3.17Å; N309-D311 PolarHBondContact OD1-N 2.96Å; N309-D311 PolarHBondContact OD1-OD2 3.39Å; D311-T315 WeakPolarHBondContact O-CG2 3.37Å
312	S	87.3	Confident	89.8	Confident	46 Å²	46	40.4 Å²	40.4	32%	0.322	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-4.3	179.8	51.2	0	0	0	0	113.6	T310 N374	T310-S312 PolarHBondContact O-N 3.37Å; S312-N374 PolarHBondContact OG-ND2 2.88Å; S312-N374 VanDerWaalsContact OG-ND2 3.11Å; S312-N374 PolarHBondContact OG-OD1 3.04Å
313	V	91.7	Very high	89.4	Confident	10 Å²	10	43.6 Å²	43.6	6%	0.061	24%	0.244	C	C	.	.	S	Bend	trans	-91.3	125.9	-175	-179.1	0	0	0	0	109.6	V300 T310 T315 V367 L370 V371	V300-V313 HydrophobicContact CG2-CG1 4.31Å; T310-V313 PolarHBondContact O-N 2.99Å; V313-T315 VanDerWaalsContact C-N 3.27Å; V313-T315 PolarHBondContact O-N 2.82Å; V313-T315 VanDerWaalsContact O-N 3.17Å; V313-V367 HydrophobicContact CG1-CG1 4.18Å; V313-L370 HydrophobicContact CG1-CB 3.86Å; V313-L370 HydrophobicContact CG1-CD1 3.95Å; V313-L370 HydrophobicContact CG2-CB 4.24Å; V313-V371 HydrophobicContact CG2-CG2 4.1Å
314	C	91.6	Very high	88.5	Confident	26 Å²	26	50.1 Å²	50.1	18%	0.176	27%	0.273	C	S	.	.	S	Bend	trans	50.9	38.5	176.3	-61.7	0	0	0	0	115.7	L296 V300 N316 C320	L296-C314 HydrophobicContact CD2-CB 4.39Å; V300-C314 HydrophobicContact CG2-CB 4.1Å; C314-N316 PolarHBondContact O-N 2.95Å; C314-N316 VanDerWaalsContact O-N 3.14Å; C314-C320 WeakPolarHBondContact CA-SG 3.42Å; C314-C320 HydrophobicContact CB-CB 3.63Å; C314-C320 WeakPolarHBondContact CB-SG 3.34Å; C314-C320 WeakPolarHBondContact SG-CB 3.15Å; C314-C320 CovalentContact SG-SG 2.02Å; C314-C320 PolarHBondContact SG-SG 3.03Å
315	T	87.8	Confident	87.4	Confident	73 Å²	73	48.5 Å²	48.5	45%	0.448	26%	0.262	S	S	.	.			trans	-67.5	-14.3	-176.5	65.8	0	0	0	0	114.5	D311 V313 K319	D311-T315 WeakPolarHBondContact O-CG2 3.37Å; V313-T315 VanDerWaalsContact C-N 3.27Å; V313-T315 PolarHBondContact O-N 2.82Å; V313-T315 VanDerWaalsContact O-N 3.17Å; T315-K319 WeakPolarHBondContact OG1-CD 3.42Å; T315-K319 WeakPolarHBondContact OG1-CE 3.28Å; T315-K319 PolarHBondContact OG1-NZ 2.68Å
316	N	87.7	Confident	86.3	Confident	57 Å²	57	51.8 Å²	51.8	31%	0.305	28%	0.277	S	S	.	.	S	Bend	trans	-156.5	169.2	177.1	64.5	51.7	0	0	0	110.9	C314 I318 K319 C320	C314-N316 PolarHBondContact O-N 2.95Å; C314-N316 VanDerWaalsContact O-N 3.14Å; N316-I318 PolarHBondContact O-N 3.03Å; N316-I318 WeakPolarHBondContact OD1-CA 3.49Å; N316-I318 VanDerWaalsContact OD1-CB 3.29Å; N316-I318 WeakPolarHBondContact OD1-CB 3.32Å; N316-I318 PolarHBondContact OD1-N 2.93Å; N316-K319 PolarHBondContact O-N 3.22Å; N316-K319 PolarHBondContact OD1-N 2.98Å; N316-C320 PolarHBondContact O-N 3.28Å
317	D	84.3	Confident	84.7	Confident	93 Å²	93	60.9 Å²	60.9	50%	0.497	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-17.7	-178.1	-64.7	-31.2	0	0	0	113.7	K293 C320	K293-D317 WeakPolarHBondContact CD-OD1 3.31Å; K293-D317 WeakPolarHBondContact CE-OD1 3.23Å; K293-D317 IonicContact NZ-OD1 3.25Å; K293-D317 PolarHBondContact NZ-OD1 3.08Å; K293-D317 IonicContact NZ-OD2 2.68Å; K293-D317 PolarHBondContact NZ-OD2 2.95Å; D317-C320 CarbonylContact O-C 3.6Å
318	I	84.7	Confident	83.1	Confident	121 Å²	121	68.5 Å²	68.5	62%	0.621	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-39.4	176.1	-59.2	173	0	0	0	109.7	N316 W348	N316-I318 PolarHBondContact O-N 3.03Å; N316-I318 WeakPolarHBondContact OD1-CA 3.49Å; N316-I318 VanDerWaalsContact OD1-CB 3.29Å; N316-I318 WeakPolarHBondContact OD1-CB 3.32Å; N316-I318 PolarHBondContact OD1-N 2.93Å; I318-W348 PolarHBondContact O-NE1 2.99Å
319	K	85.9	Confident	81.9	Confident	18 Å²	18	72.1 Å²	72.1	8%	0.078	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-46.9	177.5	-67.5	-175	-169.9	-168.2	0	112.7	T315 N316 E346 W348 M349	T315-K319 WeakPolarHBondContact OG1-CD 3.42Å; T315-K319 WeakPolarHBondContact OG1-CE 3.28Å; T315-K319 PolarHBondContact OG1-NZ 2.68Å; N316-K319 PolarHBondContact O-N 3.22Å; N316-K319 PolarHBondContact OD1-N 2.98Å; K319-E346 HydrophobicContact CD-CB 4.1Å; K319-E346 VanDerWaalsContact CE-CG 3.44Å; K319-E346 WeakPolarHBondContact CE-OE1 3.4Å; K319-E346 WeakPolarHBondContact CE-OE2 3.45Å; K319-E346 HydrophobicContact CG-CB 3.97Å; K319-E346 IonicContact NZ-OE1 2.73Å; K319-E346 PolarHBondContact NZ-OE1 2.92Å; K319-E346 IonicContact NZ-OE2 2.8Å; K319-W348 CarbonylContact O-C 3.59Å; K319-W348 VanDerWaalsContact O-CA 3.28Å; K319-W348 WeakPolarHBondContact O-CA 3.42Å; K319-M349 PolarHBondContact O-N 3.3Å
320	C	92.6	Very high	81.2	Confident	6 Å²	6	72.5 Å²	72.5	4%	0.041	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	84.6	-176.1	-65.1	0	0	0	0	109.1	L296 C314 N316 D317 V322 M349	L296-C320 HydrophobicContact CD2-CB 3.57Å; C314-C320 WeakPolarHBondContact CA-SG 3.42Å; C314-C320 HydrophobicContact CB-CB 3.63Å; C314-C320 WeakPolarHBondContact CB-SG 3.34Å; C314-C320 WeakPolarHBondContact SG-CB 3.15Å; C314-C320 CovalentContact SG-SG 2.02Å; C314-C320 PolarHBondContact SG-SG 3.03Å; N316-C320 PolarHBondContact O-N 3.28Å; D317-C320 CarbonylContact O-C 3.6Å; C320-V322 VanDerWaalsContact C-N 3.27Å; C320-V322 PolarHBondContact O-N 3.24Å; C320-M349 WeakPolarHBondContact CA-O 3.43Å; C320-M349 HydrophobicContact CB-CG 3.83Å; C320-M349 HydrophobicContact CB-SD 4.31Å; C320-M349 WeakPolarHBondContact SG-CG 3.47Å
321	D	89.7	Confident	81	Confident	17 Å²	17	72.6 Å²	72.6	9%	0.091	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	76.4	-177.7	-179.8	-7.4	0	0	0	109.3	L323 R331 W348 M349 S350 M351	D321-L323 WeakPolarHBondContact OD1-CD1 3.34Å; D321-L323 WeakPolarHBondContact OD1-CG 3.29Å; D321-R331 IonicContact OD1-CZ 3.32Å; D321-R331 IonicContact OD1-NH1 3.15Å; D321-R331 IonicContact OD1-NH2 2.63Å; D321-R331 PolarHBondContact OD1-NH2 2.72Å; D321-R331 IonicContact OD2-CZ 2.99Å; D321-R331 IonicContact OD2-NH2 3.29Å; D321-R331 PolarHBondContact OD2-NH2 3.47Å; D321-W348 HydrophobicContact CB-CZ2 4.44Å; D321-M349 PolarHBondContact N-O 2.91Å; D321-S350 VanDerWaalsContact O-CA 3.23Å; D321-S350 WeakPolarHBondContact O-CA 3.44Å; D321-S350 PolarHBondContact O-OG 3.04Å; D321-M351 PolarHBondContact O-N 2.9Å; D321-M351 VanDerWaalsContact O-N 3.15Å
322	V	88	Confident	81	Confident	8 Å²	8	67.2 Å²	67.2	5%	0.048	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	93.5	178.4	-173.7	0	0	0	0	109.4	Q292 L296 C320 M349 M351 A353 M363	Q292-V322 HydrophobicContact CB-CG1 4.1Å; Q292-V322 HydrophobicContact CG-CG1 3.56Å; Q292-V322 PolarHBondContact NE2-O 3.17Å; L296-V322 HydrophobicContact CD2-CB 4.35Å; L296-V322 HydrophobicContact CD2-CG2 3.52Å; L296-V322 HydrophobicContact CG-CG2 4.49Å; C320-V322 VanDerWaalsContact C-N 3.27Å; C320-V322 PolarHBondContact O-N 3.24Å; V322-M349 HydrophobicContact CG2-CE 4.28Å; V322-M351 HydrophobicContact CB-CG 4.49Å; V322-M351 HydrophobicContact CG1-CG 4Å; V322-M351 HydrophobicContact CG2-CG 4.1Å; V322-A353 HydrophobicContact CG1-CB 3.68Å; V322-M363 HydrophobicContact CG1-CE 3.54Å
323	L	84	Confident	81.1	Confident	77 Å²	77	65.4 Å²	65.4	40%	0.403	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	145.5	-173.3	-66.3	-179.1	0	0	0	111.4	D321 M351 C352 A353	D321-L323 WeakPolarHBondContact OD1-CD1 3.34Å; D321-L323 WeakPolarHBondContact OD1-CG 3.29Å; L323-M351 PolarHBondContact N-O 3.36Å; L323-C352 CarbonylContact O-C 3.55Å; L323-C352 VanDerWaalsContact O-CA 3.31Å; L323-C352 WeakPolarHBondContact O-CA 3.36Å; L323-A353 PolarHBondContact O-N 2.91Å; L323-A353 VanDerWaalsContact O-N 3.11Å
324	K	75.1	Confident	80.9	Confident	138 Å²	138	67 Å²	67	60%	0.6	33%	0.334	S	S	*	.	P	Polyproline II helix	trans	-68.8	132.7	159.1	-168.4	177.3	-178.5	-178.2	0	106.4	E326	K324-E326 PolarHBondContact O-N 3.18Å
325	K	68.8	Low	80.9	Confident	44 Å²	44	66.3 Å²	66.3	19%	0.191	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-64.1	124.6	-176.8	-175.5	179	-177.4	177.7	0	110.4	E142 Y144 P145 C352	E142-K325 IonicContact OE1-NZ 3.96Å; E142-K325 IonicContact OE2-NZ 3.9Å; E142-K325 PolarHBondContact OE2-NZ 3.02Å; Y144-K325 PolarHBondContact O-NZ 3.23Å; P145-K325 HydrophobicContact CG-CB 4.36Å; P145-K325 HydrophobicContact CG-CD 4.34Å; K325-C352 HydrophobicContact CB-CB 4.39Å
326	E	66	Low	81.1	Confident	143 Å²	143	63.5 Å²	63.5	67%	0.668	31%	0.313	S	S	*	.	P	Polyproline II helix	trans	-101.8	140.4	165.4	-66	178.4	177.9	0	0	108.8	K324 E328	K324-E326 PolarHBondContact O-N 3.18Å; E326-E328 PolarHBondContact O-N 3.4Å; E326-E328 VanDerWaalsContact O-N 3.15Å
327	E	56.1	Low	81.5	Confident	194 Å²	194	61.7 Å²	61.7	91%	0.907	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-17	-168.3	-68.1	-176	162.4	0	0	114.3
328	E	58.3	Low	82	Confident	188 Å²	188	58 Å²	58	88%	0.879	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-8.1	-168.4	-66.3	-167.3	155.2	0	0	115.5	E326	E326-E328 PolarHBondContact O-N 3.4Å; E326-E328 VanDerWaalsContact O-N 3.15Å
329	I	67.4	Low	82.4	Confident	77 Å²	77	53.9 Å²	53.9	40%	0.395	26%	0.263	S	S	.	.			trans	-101.7	116.7	-173.7	-49.2	179.8	0	0	0	110	R331	I329-R331 HydrophobicContact CG2-CB 3.94Å; I329-R331 HydrophobicContact CG2-CG 4.36Å; I329-R331 PolarHBondContact O-N 3.03Å
330	C	76.9	Confident	82.7	Confident	59 Å²	59	53.6 Å²	53.6	40%	0.399	26%	0.261	S	S	.	.			trans	-65	46.7	172.9	-67	0	0	0	0	113.4	R54 F55 V56	R54-C330 CarbonylContact C-O 3.54Å; F55-C330 WeakPolarHBondContact CA-O 3.11Å; F55-C330 WeakPolarHBondContact CB-O 3.38Å; F55-C330 PolarHBondContact N-O 3.45Å; V56-C330 HydrophobicContact CG1-CB 4.08Å
331	R	87.9	Confident	82.4	Confident	15 Å²	15	53.7 Å²	53.7	6%	0.057	26%	0.262	C	S	.	.			trans	-92.3	164.9	-175.4	71	-171.7	-48	175.2	7.9	112.4	F52 Q53 D321 I329 S350	F52-R331 WeakPolarHBondContact O-CA 3.37Å; Q53-R331 WeakPolarHBondContact O-CB 3.47Å; D321-R331 IonicContact OD1-CZ 3.32Å; D321-R331 IonicContact OD1-NH1 3.15Å; D321-R331 IonicContact OD1-NH2 2.63Å; D321-R331 PolarHBondContact OD1-NH2 2.72Å; D321-R331 IonicContact OD2-CZ 2.99Å; D321-R331 IonicContact OD2-NH2 3.29Å; D321-R331 PolarHBondContact OD2-NH2 3.47Å; I329-R331 HydrophobicContact CG2-CB 3.94Å; I329-R331 HydrophobicContact CG2-CG 4.36Å; I329-R331 PolarHBondContact O-N 3.03Å; R331-S350 PolarHBondContact NH2-OG 3.32Å
332	I	89.2	Confident	81.9	Confident	2 Å²	2	53.8 Å²	53.8	1%	0.01	26%	0.264	C	S	.	.			trans	-92	120.1	166.3	-60.6	-63	0	0	0	108.5	F52 F55 F120 R124 R334	F52-I332 HydrophobicContact CD1-CB 3.7Å; F52-I332 HydrophobicContact CD1-CG1 4.45Å; F52-I332 HydrophobicContact CD1-CG2 3.67Å; F52-I332 HydrophobicContact CE1-CB 4.15Å; F52-I332 HydrophobicContact CE1-CG2 3.61Å; F52-I332 HydrophobicContact CG-CB 4.4Å; F52-I332 PolarHBondContact O-N 3.42Å; F55-I332 HydrophobicContact CB-CD1 3.9Å; F55-I332 HydrophobicContact CB-CG1 3.94Å; F55-I332 HydrophobicContact CD1-CD1 4.01Å; F55-I332 HydrophobicContact CD2-CD1 3.68Å; F55-I332 HydrophobicContact CD2-CG1 3.57Å; F55-I332 HydrophobicContact CE1-CD1 4.43Å; F55-I332 HydrophobicContact CE2-CD1 4.17Å; F55-I332 HydrophobicContact CE2-CG1 4.24Å; F55-I332 HydrophobicContact CG-CD1 3.59Å; F55-I332 HydrophobicContact CG-CG1 3.85Å; F120-I332 HydrophobicContact CD1-CD1 4.08Å; F120-I332 HydrophobicContact CD1-CG1 4.45Å; F120-I332 HydrophobicContact CE1-CB 4.36Å; F120-I332 HydrophobicContact CE1-CD1 3.77Å; F120-I332 HydrophobicContact CE1-CG1 3.78Å; F120-I332 HydrophobicContact CE1-CG2 3.76Å; F120-I332 HydrophobicContact CZ-CG2 4.15Å; R124-I332 HydrophobicContact CG-CD1 3.66Å; I332-R334 HydrophobicContact CG2-CB 3.91Å
333	C	89.1	Confident	81	Confident	7 Å²	7	57.6 Å²	57.6	5%	0.047	28%	0.284	C	S	.	.			trans	-88.7	-5	-177.7	-85.9	0	0	0	0	114.7	P335 C352	C333-P335 WeakPolarHBondContact O-CD 3.49Å; C333-C352 WeakPolarHBondContact CA-SG 3.4Å; C333-C352 HydrophobicContact CB-CB 3.48Å; C333-C352 VanDerWaalsContact CB-CB 3.48Å; C333-C352 WeakPolarHBondContact CB-SG 3.28Å; C333-C352 PolarHBondContact O-N 3.37Å; C333-C352 WeakPolarHBondContact SG-CB 2.89Å; C333-C352 CovalentContact SG-SG 2.04Å; C333-C352 PolarHBondContact SG-SG 3.08Å
334	R	88.5	Confident	80.4	Confident	43 Å²	43	62.2 Å²	62.2	16%	0.162	30%	0.303	C	S	.	.	S	Bend	trans	-62.6	126.4	177.6	-176.1	-149.4	175.4	-172.6	0.8	109.9	Y123 I332 T336 E508	Y123-R334 HydrophobicContact CD1-CB 3.72Å; Y123-R334 HydrophobicContact CD1-CG 3.95Å; Y123-R334 HydrophobicContact CE1-CB 3.84Å; Y123-R334 HydrophobicContact CE1-CG 3.5Å; Y123-R334 VanDerWaalsContact CE1-CG 3.5Å; Y123-R334 HydrophobicContact CG-CB 4.33Å; Y123-R334 VanDerWaalsContact CZ-CD 3.5Å; Y123-R334 PolarHBondContact OH-NE 3.14Å; I332-R334 HydrophobicContact CG2-CB 3.91Å; R334-T336 PolarHBondContact O-N 2.67Å; R334-T336 PolarHBondContact O-OG1 3.46Å; R334-E508 IonicContact CZ-OE2 3.83Å; R334-E508 IonicContact NH1-OE2 2.84Å; R334-E508 PolarHBondContact NH1-OE2 3.35Å; R334-E508 VanDerWaalsContact NH2-CD 3.34Å; R334-E508 IonicContact NH2-OE1 3.83Å; R334-E508 PolarHBondContact NH2-OE1 3.5Å; R334-E508 IonicContact NH2-OE2 3.62Å; R334-E508 PolarHBondContact NH2-OE2 3.02Å
335	P	90	Very high	80.1	Confident	13 Å²	13	57 Å²	57	8%	0.084	28%	0.282	C	S	.	.			trans	-52.2	127.7	172.8	-25.9	34.6	0	0	0	112.6	C333 S350 M351 F366	C333-P335 WeakPolarHBondContact O-CD 3.49Å; P335-S350 CarbonylContact C-O 3.09Å; P335-S350 VanDerWaalsContact CA-O 3.28Å; P335-S350 WeakPolarHBondContact CA-O 3.48Å; P335-M351 HydrophobicContact CB-CB 3.87Å; P335-M351 HydrophobicContact CG-CB 3.87Å; P335-M351 HydrophobicContact CG-CE 4.16Å; P335-F366 HydrophobicContact CB-CD2 4.01Å; P335-F366 HydrophobicContact CB-CE1 4.22Å; P335-F366 HydrophobicContact CB-CE2 3.17Å; P335-F366 HydrophobicContact CB-CZ 3.29Å; P335-F366 HydrophobicContact CG-CE2 4.27Å
336	T	93.4	Very high	80.5	Confident	14 Å²	14	59.2 Å²	59.2	9%	0.086	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	148.7	-172	-60.7	0	0	0	0	111.4	F52 R334 W348 M349 S350	F52-T336 HydrophobicContact CD1-CG2 4.33Å; F52-T336 HydrophobicContact CE1-CG2 3.85Å; F52-T336 WeakPolarHBondContact CE1-OG1 3.3Å; F52-T336 HydrophobicContact CE2-CG2 4.29Å; F52-T336 HydrophobicContact CZ-CG2 3.82Å; R334-T336 PolarHBondContact O-N 2.67Å; R334-T336 PolarHBondContact O-OG1 3.46Å; T336-W348 HydrophobicContact CG2-CZ3 4.35Å; T336-M349 CarbonylContact O-C 3.26Å; T336-M349 WeakPolarHBondContact O-CA 2.99Å; T336-M349 WeakPolarHBondContact O-CB 3Å; T336-S350 PolarHBondContact N-O 3.39Å; T336-S350 PolarHBondContact O-N 3.17Å
337	T	95.5	Very high	81.8	Confident	18 Å²	18	53.3 Å²	53.3	11%	0.11	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	141.5	169.3	44.1	0	0	0	0	110.9	W348 M349 F366 R369 L370	T337-W348 CarbonylContact C-O 3.52Å; T337-W348 VanDerWaalsContact CA-O 3.24Å; T337-W348 WeakPolarHBondContact CA-O 3.42Å; T337-M349 HydrophobicContact CG2-CB 3.77Å; T337-F366 HydrophobicContact CG2-CB 3.94Å; T337-F366 HydrophobicContact CG2-CD1 3.54Å; T337-F366 HydrophobicContact CG2-CG 4.19Å; T337-R369 HydrophobicContact CG2-CB 4.32Å; T337-R369 VanDerWaalsContact OG1-CD 3.28Å; T337-R369 WeakPolarHBondContact OG1-CD 3.2Å; T337-R369 PolarHBondContact OG1-NH1 3.36Å; T337-R369 VanDerWaalsContact OG1-NH1 3.14Å; T337-L370 HydrophobicContact CG2-CD2 4.24Å; T337-L370 HydrophobicContact CG2-CG 4.45Å
338	L	94.7	Very high	83.6	Confident	16 Å²	16	44.2 Å²	44.2	8%	0.084	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	119.3	169.6	-59.1	176.4	0	0	0	108.5	L45 V48 Q49 Y340 W348	L45-L338 HydrophobicContact CD2-CD2 4.17Å; V48-L338 HydrophobicContact CB-CD1 4.48Å; V48-L338 HydrophobicContact CG1-CD1 4.16Å; V48-L338 HydrophobicContact CG1-CD2 3.84Å; Q49-L338 HydrophobicContact CB-CD1 3.67Å; Q49-L338 HydrophobicContact CG-CD1 4.35Å; L338-Y340 HydrophobicContact CB-CE2 4.46Å; L338-W348 HydrophobicContact CB-CB 4.38Å; L338-W348 HydrophobicContact CB-CE3 4.18Å; L338-W348 HydrophobicContact CD1-CD2 4.43Å; L338-W348 HydrophobicContact CD1-CE3 3.62Å; L338-W348 HydrophobicContact CD1-CZ3 3.93Å; L338-W348 HydrophobicContact CG-CE3 3.67Å; L338-W348 HydrophobicContact CG-CZ3 4.08Å; L338-W348 PolarHBondContact N-O 3.09Å; L338-W348 PolarHBondContact O-N 3.3Å
339	I	93.4	Very high	85.3	Confident	34 Å²	34	35.3 Å²	35.3	17%	0.174	18%	0.182	C	C	.	.			trans	-99.3	118.1	177	-52.7	-48.7	0	0	0	109	L45 D347 L370 Y376 K377 F394	L45-I339 WeakPolarHBondContact CD1-O 3.24Å; I339-D347 WeakPolarHBondContact CA-OD1 3.31Å; I339-D347 HydrophobicContact CD1-CB 4.08Å; I339-D347 WeakPolarHBondContact CG2-OD1 3.33Å; I339-L370 HydrophobicContact CD1-CD2 3.83Å; I339-Y376 WeakPolarHBondContact CG2-OH 3.38Å; I339-K377 HydrophobicContact CG2-CD 4.5Å; I339-F394 HydrophobicContact CD1-CZ 4.05Å; I339-F394 HydrophobicContact CG1-CE1 4.41Å; I339-F394 HydrophobicContact CG1-CE2 4.46Å; I339-F394 HydrophobicContact CG1-CZ 3.59Å
340	Y	92	Very high	86.5	Confident	12 Å²	12	31.9 Å²	31.9	5%	0.047	17%	0.165	C	C	.	.			trans	-81.2	149.2	180	-79.8	-96.5	0	0	0	111.3	K42 L45 T46 Q49 L338 S342 D345 E346 D347 W348 K377	K42-Y340 HydrophobicContact CB-CD1 4.43Å; K42-Y340 HydrophobicContact CG-CD1 4.15Å; K42-Y340 HydrophobicContact CG-CE1 4.27Å; L45-Y340 HydrophobicContact CB-CD1 4.02Å; L45-Y340 HydrophobicContact CB-CE1 3.54Å; L45-Y340 HydrophobicContact CB-CE2 4.41Å; L45-Y340 HydrophobicContact CD1-CD1 4.1Å; L45-Y340 HydrophobicContact CD1-CE1 4.45Å; L45-Y340 HydrophobicContact CD1-CG 4.22Å; T46-Y340 WeakPolarHBondContact CA-OH 3.27Å; T46-Y340 PolarHBondContact N-OH 3.44Å; T46-Y340 PolarHBondContact OG1-OH 2.85Å; Q49-Y340 PolarHBondContact OE1-OH 3.48Å; L338-Y340 HydrophobicContact CB-CE2 4.46Å; Y340-S342 PolarHBondContact O-N 3.03Å; Y340-D345 HydrophobicContact CD1-CB 4.14Å; Y340-D345 HydrophobicContact CG-CB 4.01Å; Y340-E346 WeakPolarHBondContact CD2-O 3.5Å; Y340-D347 PolarHBondContact N-OD1 3.39Å; Y340-W348 HydrophobicContact CE2-CB 4.49Å; Y340-K377 WeakPolarHBondContact O-CD 3.4Å
341	P	85.8	Confident	87.2	Confident	9 Å²	9	29 Å²	29	6%	0.058	15%	0.146	C	C	.	.	S	Bend	trans	-70.4	-29.2	-176.3	29.1	-37.1	0	0	0	112.6	Q38 F41 K42 V383 R386	Q38-P341 WeakPolarHBondContact O-CG 3.36Å; F41-P341 HydrophobicContact CB-CB 4.22Å; F41-P341 HydrophobicContact CB-CG 3.79Å; K42-P341 HydrophobicContact CB-CG 4.3Å; P341-V383 HydrophobicContact CB-CG2 3.94Å; P341-R386 VanDerWaalsContact O-CD 3.25Å; P341-R386 WeakPolarHBondContact O-CD 3.5Å; P341-R386 VanDerWaalsContact O-CZ 3.27Å; P341-R386 PolarHBondContact O-NE 2.83Å; P341-R386 PolarHBondContact O-NH1 2.85Å
342	S	79.1	Confident	87.4	Confident	19 Å²	19	28.6 Å²	28.6	13%	0.133	15%	0.145	C	C	.	.	S	Bend	trans	-89.7	156.8	-177.3	-175.3	0	0	0	0	112.5	Y340 E344 D345	Y340-S342 PolarHBondContact O-N 3.03Å; S342-E344 VanDerWaalsContact C-N 3.35Å; S342-E344 PolarHBondContact OG-N 3.34Å; S342-D345 VanDerWaalsContact CB-OD2 3.28Å; S342-D345 WeakPolarHBondContact CB-OD2 3.4Å
343	D	70.6	Confident	87.4	Confident	88 Å²	88	28.5 Å²	28.5	47%	0.471	15%	0.145	S	C	.	.	S	Bend	trans	-77.5	-25.3	171.8	-56.4	-28.8	0	0	0	111.6	D345 K377 R386	D343-D345 VanDerWaalsContact C-N 3.35Å; D343-K377 VanDerWaalsContact OD1-C 3.28Å; D343-K377 WeakPolarHBondContact OD1-CB 3.34Å; D343-R386 IonicContact OD1-CZ 2.81Å; D343-R386 IonicContact OD1-NH2 2.88Å; D343-R386 PolarHBondContact OD1-NH2 3.03Å; D343-R386 IonicContact OD2-NH2 2.7Å; D343-R386 PolarHBondContact OD2-NH2 3.3Å
344	E	71.1	Confident	87.5	Confident	173 Å²	173	31.2 Å²	31.2	81%	0.808	16%	0.156	S	C	*	.	S	Bend	trans	-78.6	-23.7	174.9	-61.2	-176.1	172.8	0	0	112.2	S342	S342-E344 VanDerWaalsContact C-N 3.35Å; S342-E344 PolarHBondContact OG-N 3.34Å
345	D	67.5	Low	87.7	Confident	29 Å²	29	29.8 Å²	29.8	16%	0.155	15%	0.153	C	C	.	.	S	Bend	trans	-87.5	139.9	-179.7	-70.5	-43.1	0	0	0	111.3	K42 Y340 S342 D343	K42-D345 WeakPolarHBondContact CD-OD2 3.41Å; K42-D345 WeakPolarHBondContact CE-OD1 3.37Å; K42-D345 VanDerWaalsContact CE-OD2 3.32Å; K42-D345 WeakPolarHBondContact CE-OD2 3.45Å; K42-D345 IonicContact NZ-OD1 2.63Å; K42-D345 PolarHBondContact NZ-OD1 2.96Å; K42-D345 IonicContact NZ-OD2 3.47Å; K42-D345 PolarHBondContact NZ-OD2 2.85Å; K42-D345 VanDerWaalsContact NZ-OD2 3.09Å; Y340-D345 HydrophobicContact CD1-CB 4.14Å; Y340-D345 HydrophobicContact CG-CB 4.01Å; S342-D345 VanDerWaalsContact CB-OD2 3.28Å; S342-D345 WeakPolarHBondContact CB-OD2 3.4Å; D343-D345 VanDerWaalsContact C-N 3.35Å
346	E	78	Confident	87.6	Confident	91 Å²	91	29.9 Å²	29.9	43%	0.425	15%	0.154	S	C	.	.			trans	-90.9	115.3	-166.9	-57.8	-167.1	138.6	0	0	110.5	K319 Y340	K319-E346 HydrophobicContact CD-CB 4.1Å; K319-E346 VanDerWaalsContact CE-CG 3.44Å; K319-E346 WeakPolarHBondContact CE-OE1 3.4Å; K319-E346 WeakPolarHBondContact CE-OE2 3.45Å; K319-E346 HydrophobicContact CG-CB 3.97Å; K319-E346 IonicContact NZ-OE1 2.73Å; K319-E346 PolarHBondContact NZ-OE1 2.92Å; K319-E346 IonicContact NZ-OE2 2.8Å; Y340-E346 WeakPolarHBondContact CD2-O 3.5Å
347	D	92.6	Very high	87.4	Confident	19 Å²	19	29.6 Å²	29.6	10%	0.102	15%	0.152	C	C	.	.			trans	-58.4	143.8	171.1	-64.6	-20.1	0	0	0	109.9	I339 Y340 L370 S373 K377	I339-D347 WeakPolarHBondContact CA-OD1 3.31Å; I339-D347 HydrophobicContact CD1-CB 4.08Å; I339-D347 WeakPolarHBondContact CG2-OD1 3.33Å; Y340-D347 PolarHBondContact N-OD1 3.39Å; D347-L370 HydrophobicContact CB-CD2 3.57Å; D347-S373 WeakPolarHBondContact OD2-CB 3.34Å; D347-S373 PolarHBondContact OD2-OG 3.07Å; D347-K377 IonicContact OD1-NZ 3.55Å; D347-K377 PolarHBondContact OD1-NZ 2.75Å; D347-K377 VanDerWaalsContact OD2-CE 3.23Å; D347-K377 WeakPolarHBondContact OD2-CE 3.28Å; D347-K377 IonicContact OD2-NZ 3.69Å; D347-K377 PolarHBondContact OD2-NZ 3.49Å
348	W	94.5	Very high	86.9	Confident	3 Å²	3	31.3 Å²	31.3	1%	0.011	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	142.1	-169.7	179.1	82.8	0	0	0	111.1	Q49 F52 Q53 I318 K319 D321 T336 T337 L338 Y340	Q49-W348 HydrophobicContact CG-CD2 3.98Å; Q49-W348 HydrophobicContact CG-CE3 4.45Å; Q49-W348 HydrophobicContact CG-CG 4.26Å; Q49-W348 HydrophobicContact CG-CZ2 4.15Å; F52-W348 HydrophobicContact CB-CH2 3.79Å; F52-W348 HydrophobicContact CB-CZ3 4.36Å; F52-W348 HydrophobicContact CG-CH2 4.39Å; Q53-W348 HydrophobicContact CG-CZ2 4.3Å; I318-W348 PolarHBondContact O-NE1 2.99Å; K319-W348 CarbonylContact O-C 3.59Å; K319-W348 VanDerWaalsContact O-CA 3.28Å; K319-W348 WeakPolarHBondContact O-CA 3.42Å; D321-W348 HydrophobicContact CB-CZ2 4.44Å; T336-W348 HydrophobicContact CG2-CZ3 4.35Å; T337-W348 CarbonylContact C-O 3.52Å; T337-W348 VanDerWaalsContact CA-O 3.24Å; T337-W348 WeakPolarHBondContact CA-O 3.42Å; L338-W348 HydrophobicContact CB-CB 4.38Å; L338-W348 HydrophobicContact CB-CE3 4.18Å; L338-W348 HydrophobicContact CD1-CD2 4.43Å; L338-W348 HydrophobicContact CD1-CE3 3.62Å; L338-W348 HydrophobicContact CD1-CZ3 3.93Å; L338-W348 HydrophobicContact CG-CE3 3.67Å; L338-W348 HydrophobicContact CG-CZ3 4.08Å; L338-W348 PolarHBondContact N-O 3.09Å; L338-W348 PolarHBondContact O-N 3.3Å; Y340-W348 HydrophobicContact CE2-CB 4.49Å
349	M	94.7	Very high	86.8	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	152.1	163.9	69.5	175.7	-75.1	0	0	111	L296 K319 C320 D321 V322 T336 T337 M351 F366 V367 L370	L296-M349 HydrophobicContact CD1-CE 4.43Å; L296-M349 HydrophobicContact CD1-SD 4.28Å; K319-M349 PolarHBondContact O-N 3.3Å; C320-M349 WeakPolarHBondContact CA-O 3.43Å; C320-M349 HydrophobicContact CB-CG 3.83Å; C320-M349 HydrophobicContact CB-SD 4.31Å; C320-M349 WeakPolarHBondContact SG-CG 3.47Å; D321-M349 PolarHBondContact N-O 2.91Å; V322-M349 HydrophobicContact CG2-CE 4.28Å; T336-M349 CarbonylContact O-C 3.26Å; T336-M349 WeakPolarHBondContact O-CA 2.99Å; T336-M349 WeakPolarHBondContact O-CB 3Å; T337-M349 HydrophobicContact CG2-CB 3.77Å; M349-M351 HydrophobicContact CE-SD 4.3Å; M349-F366 HydrophobicContact CE-CB 3.56Å; M349-F366 HydrophobicContact CE-CG 4.3Å; M349-F366 HydrophobicContact SD-CB 4.08Å; M349-V367 HydrophobicContact SD-CG2 4.42Å; M349-L370 HydrophobicContact CB-CD1 4.3Å; M349-L370 HydrophobicContact CG-CD1 4.04Å; M349-L370 HydrophobicContact SD-CD1 3.88Å
350	S	93.1	Very high	86.8	Confident	5 Å²	5	29.8 Å²	29.8	4%	0.035	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	144	170.2	-177.6	0	0	0	0	112.1	D321 R331 P335 T336	D321-S350 VanDerWaalsContact O-CA 3.23Å; D321-S350 WeakPolarHBondContact O-CA 3.44Å; D321-S350 PolarHBondContact O-OG 3.04Å; R331-S350 PolarHBondContact NH2-OG 3.32Å; P335-S350 CarbonylContact C-O 3.09Å; P335-S350 VanDerWaalsContact CA-O 3.28Å; P335-S350 WeakPolarHBondContact CA-O 3.48Å; T336-S350 PolarHBondContact N-O 3.39Å; T336-S350 PolarHBondContact O-N 3.17Å
351	M	91.6	Very high	86.8	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	148.7	171.5	63.3	-177.7	-54.7	0	0	111.1	D321 V322 L323 P335 M349 A353 D359 D362 M363	D321-M351 PolarHBondContact O-N 2.9Å; D321-M351 VanDerWaalsContact O-N 3.15Å; V322-M351 HydrophobicContact CB-CG 4.49Å; V322-M351 HydrophobicContact CG1-CG 4Å; V322-M351 HydrophobicContact CG2-CG 4.1Å; L323-M351 PolarHBondContact N-O 3.36Å; P335-M351 HydrophobicContact CB-CB 3.87Å; P335-M351 HydrophobicContact CG-CB 3.87Å; P335-M351 HydrophobicContact CG-CE 4.16Å; M349-M351 HydrophobicContact CE-SD 4.3Å; M351-A353 HydrophobicContact CE-CB 3.93Å; M351-A353 HydrophobicContact CG-CB 4.07Å; M351-A353 PolarHBondContact O-N 3.5Å; M351-A353 HydrophobicContact SD-CB 4.2Å; M351-D359 HydrophobicContact CE-CB 4.11Å; M351-D362 HydrophobicContact CE-CB 3.83Å; M351-M363 HydrophobicContact SD-CE 4.05Å; M351-M363 HydrophobicContact SD-CG 3.64Å
352	C	91	Very high	87.1	Confident	6 Å²	6	32.6 Å²	32.6	4%	0.041	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	88.9	169.3	-65.6	0	0	0	0	110.3	R149 L323 K325 C333	R149-C352 PolarHBondContact NH2-O 3.25Å; R149-C352 VanDerWaalsContact NH2-O 3.08Å; L323-C352 CarbonylContact O-C 3.55Å; L323-C352 VanDerWaalsContact O-CA 3.31Å; L323-C352 WeakPolarHBondContact O-CA 3.36Å; K325-C352 HydrophobicContact CB-CB 4.39Å; C333-C352 WeakPolarHBondContact CA-SG 3.4Å; C333-C352 HydrophobicContact CB-CB 3.48Å; C333-C352 VanDerWaalsContact CB-CB 3.48Å; C333-C352 WeakPolarHBondContact CB-SG 3.28Å; C333-C352 PolarHBondContact O-N 3.37Å; C333-C352 WeakPolarHBondContact SG-CB 2.89Å; C333-C352 CovalentContact SG-SG 2.04Å; C333-C352 PolarHBondContact SG-SG 3.08Å
353	A	90.5	Very high	87.9	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.162	C	C	.	.			trans	-100	156.8	-171.9	0	0	0	0	0	113.6	Q292 V322 L323 M351 D359 M363	Q292-A353 HydrophobicContact CB-CB 3.96Å; Q292-A353 HydrophobicContact CG-CB 4.12Å; V322-A353 HydrophobicContact CG1-CB 3.68Å; L323-A353 PolarHBondContact O-N 2.91Å; L323-A353 VanDerWaalsContact O-N 3.11Å; M351-A353 HydrophobicContact CE-CB 3.93Å; M351-A353 HydrophobicContact CG-CB 4.07Å; M351-A353 PolarHBondContact O-N 3.5Å; M351-A353 HydrophobicContact SD-CB 4.2Å; A353-D359 HydrophobicContact CB-CB 4.14Å; A353-M363 HydrophobicContact CB-CE 3.62Å
354	E	89.7	Confident	89.2	Confident	64 Å²	64	27.5 Å²	27.5	30%	0.299	14%	0.139	S	C	.	.			trans	-117.3	167.6	159.8	-90.2	173.3	-144.3	0	0	109.1	R149 M295 A356 D359	R149-E354 VanDerWaalsContact CZ-CD 3.47Å; R149-E354 IonicContact CZ-OE1 2.78Å; R149-E354 IonicContact NE-OE1 3.97Å; R149-E354 IonicContact NE-OE2 2.82Å; R149-E354 IonicContact NH1-OE1 2.77Å; R149-E354 PolarHBondContact NH1-OE1 3.01Å; R149-E354 IonicContact NH1-OE2 3.78Å; M295-E354 WeakPolarHBondContact CE-O 3.46Å; E354-A356 VanDerWaalsContact C-N 3.27Å; E354-A356 PolarHBondContact O-N 3.24Å; E354-D359 PolarHBondContact N-OD2 2.76Å; E354-D359 WeakPolarHBondContact O-CB 3.16Å
355	V	92.2	Very high	90.4	Very high	13 Å²	13	20 Å²	20	8%	0.079	11%	0.106	C	C	.	.	S	Bend	trans	-73.3	88.4	168	-178.3	0	0	0	0	108.1	L285 K286 F289 M295	L285-V355 HydrophobicContact CB-CG1 3.73Å; L285-V355 WeakPolarHBondContact O-CG1 3.48Å; K286-V355 WeakPolarHBondContact CE-O 3.37Å; K286-V355 HydrophobicContact CG-CB 4.1Å; K286-V355 HydrophobicContact CG-CG1 3.96Å; K286-V355 WeakPolarHBondContact CG-O 3.18Å; F289-V355 HydrophobicContact CB-CG1 3.93Å; F289-V355 HydrophobicContact CB-CG2 4.3Å; F289-V355 HydrophobicContact CD2-CG1 4.48Å; M295-V355 HydrophobicContact SD-CG1 4.31Å
356	A	89.6	Confident	91.8	Very high	14 Å²	14	19.4 Å²	19.4	12%	0.116	10%	0.102	C	C	.	.	S	Bend	trans	-149.3	154.3	-177.2	0	0	0	0	0	111.4	T282 E354 D358 D359 L360	T282-A356 HydrophobicContact CG2-CB 4.04Å; E354-A356 VanDerWaalsContact C-N 3.27Å; E354-A356 PolarHBondContact O-N 3.24Å; A356-D358 VanDerWaalsContact C-N 3.33Å; A356-D358 PolarHBondContact O-N 3.34Å; A356-D359 PolarHBondContact O-N 3.09Å; A356-L360 PolarHBondContact O-N 3.24Å
357	M	87.6	Confident	92.7	Very high	8 Å²	8	15.1 Å²	15.1	4%	0.039	8%	0.081	C	C	.	.	H	α-helix	trans	-61.8	-40.1	-177.3	-165.9	82.2	-170.4	0	0	112.9	Y281 T282 L285 L360 N361 N406	Y281-M357 VanDerWaalsContact CB-SD 3.6Å; Y281-M357 HydrophobicContact CG-SD 4.23Å; T282-M357 PolarHBondContact OG1-N 2.93Å; L285-M357 HydrophobicContact CD1-CB 4.18Å; L285-M357 HydrophobicContact CD1-SD 4.04Å; M357-L360 WeakPolarHBondContact O-CB 3.39Å; M357-L360 PolarHBondContact O-N 2.73Å; M357-L360 HydrophobicContact SD-CD2 4.38Å; M357-N361 PolarHBondContact O-N 3.44Å; M357-N361 PolarHBondContact O-ND2 3.18Å; M357-N406 HydrophobicContact CE-CB 4.09Å; M357-N406 WeakPolarHBondContact CE-OD1 3.25Å
358	D	86.8	Confident	92.9	Very high	54 Å²	54	14.2 Å²	14.2	29%	0.289	8%	0.076	S	C	.	.	H	α-helix	trans	-64.8	-44.8	-178.3	-62.2	8.2	0	0	0	110.5	Q267 A356 L360 N361 D362	Q267-D358 PolarHBondContact NE2-OD1 3.43Å; Q267-D358 PolarHBondContact NE2-OD2 2.98Å; Q267-D358 PolarHBondContact OE1-OD1 2.93Å; A356-D358 VanDerWaalsContact C-N 3.33Å; A356-D358 PolarHBondContact O-N 3.34Å; D358-L360 VanDerWaalsContact C-N 3.32Å; D358-L360 PolarHBondContact O-N 2.77Å; D358-N361 PolarHBondContact O-N 3.18Å; D358-D362 PolarHBondContact O-N 2.97Å
359	D	91.2	Very high	92.9	Very high	18 Å²	18	15.2 Å²	15.2	10%	0.096	8%	0.08	C	C	.	.	H	α-helix	trans	-67	-33.4	176.8	-70.7	-34.8	0	0	0	111.4	R149 M295 M351 A353 E354 A356 D362 M363	R149-D359 IonicContact CZ-OD2 3.99Å; R149-D359 IonicContact NE-OD2 3.72Å; R149-D359 IonicContact NH2-OD1 3.82Å; R149-D359 IonicContact NH2-OD2 2.76Å; R149-D359 PolarHBondContact NH2-OD2 2.04Å; M295-D359 HydrophobicContact CE-CB 4.08Å; M351-D359 HydrophobicContact CE-CB 4.11Å; A353-D359 HydrophobicContact CB-CB 4.14Å; E354-D359 PolarHBondContact N-OD2 2.76Å; E354-D359 WeakPolarHBondContact O-CB 3.16Å; A356-D359 PolarHBondContact O-N 3.09Å; D359-D362 PolarHBondContact O-N 3.35Å; D359-M363 VanDerWaalsContact O-CG 3.25Å; D359-M363 WeakPolarHBondContact O-CG 3.33Å; D359-M363 PolarHBondContact O-N 2.6Å
360	L	93.2	Very high	92.9	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.005	8%	0.081	C	C	.	.	H	α-helix	trans	-63	-44.3	172.7	178.9	71.8	0	0	0	111.8	L285 M295 C299 A356 M357 D358 D362 M363 F364 F405	L285-L360 HydrophobicContact CD1-CD2 4.17Å; L285-L360 HydrophobicContact CD2-CD2 3.97Å; M295-L360 HydrophobicContact CE-CB 4.06Å; M295-L360 HydrophobicContact CG-CB 4.43Å; M295-L360 HydrophobicContact CG-CD1 3.48Å; M295-L360 VanDerWaalsContact CG-CD1 3.48Å; M295-L360 HydrophobicContact SD-CB 3.86Å; M295-L360 HydrophobicContact SD-CD1 4.04Å; M295-L360 HydrophobicContact SD-CG 4.48Å; C299-L360 WeakPolarHBondContact SG-CD1 3.42Å; A356-L360 PolarHBondContact O-N 3.24Å; M357-L360 WeakPolarHBondContact O-CB 3.39Å; M357-L360 PolarHBondContact O-N 2.73Å; M357-L360 HydrophobicContact SD-CD2 4.38Å; D358-L360 VanDerWaalsContact C-N 3.32Å; D358-L360 PolarHBondContact O-N 2.77Å; L360-D362 VanDerWaalsContact C-N 3.34Å; L360-M363 WeakPolarHBondContact O-CB 3.43Å; L360-M363 PolarHBondContact O-N 2.63Å; L360-F364 HydrophobicContact CD1-CD2 4.36Å; L360-F364 HydrophobicContact CD1-CE2 3.88Å; L360-F364 HydrophobicContact CD2-CE2 4.33Å; L360-F364 HydrophobicContact CG-CD2 4.15Å; L360-F364 HydrophobicContact CG-CE2 3.88Å; L360-F364 VanDerWaalsContact O-CD2 3.31Å; L360-F364 WeakPolarHBondContact O-CD2 3.2Å; L360-F364 PolarHBondContact O-N 3.15Å; L360-F405 HydrophobicContact CD2-CD1 4.26Å; L360-F405 HydrophobicContact CD2-CE1 3.81Å
361	N	92.5	Very high	93	Very high	26 Å²	26	15.2 Å²	15.2	14%	0.139	8%	0.08	C	C	.	.	H	α-helix	trans	-62.4	-43.7	177.4	-72	-25.9	0	0	0	111.1	M357 D358 M363 F364 V365 N406	M357-N361 PolarHBondContact O-N 3.44Å; M357-N361 PolarHBondContact O-ND2 3.18Å; D358-N361 PolarHBondContact O-N 3.18Å; N361-M363 VanDerWaalsContact C-N 3.34Å; N361-M363 PolarHBondContact O-N 2.7Å; N361-F364 PolarHBondContact O-N 2.69Å; N361-V365 WeakPolarHBondContact O-CG2 3.45Å; N361-V365 PolarHBondContact O-N 2.93Å; N361-N406 PolarHBondContact OD1-ND2 3.37Å
362	D	92.8	Very high	93.1	Very high	53 Å²	53	15.2 Å²	15.2	28%	0.283	8%	0.08	S	C	.	.	H	α-helix	trans	-58	-47.3	173.4	-80.7	-6.6	0	0	0	110.6	M351 D358 D359 L360 F364 V365 F366	M351-D362 HydrophobicContact CE-CB 3.83Å; D358-D362 PolarHBondContact O-N 2.97Å; D359-D362 PolarHBondContact O-N 3.35Å; L360-D362 VanDerWaalsContact C-N 3.34Å; D362-F364 VanDerWaalsContact C-N 3.32Å; D362-F364 PolarHBondContact O-N 3.32Å; D362-V365 WeakPolarHBondContact O-CB 3.43Å; D362-V365 PolarHBondContact O-N 2.99Å; D362-F366 HydrophobicContact CB-CD2 4.27Å; D362-F366 HydrophobicContact CB-CE2 3.99Å; D362-F366 WeakPolarHBondContact O-CD2 3.31Å; D362-F366 PolarHBondContact O-N 3.28Å
363	M	95.9	Very high	93.2	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-54.6	-44.2	176.9	-73.3	175.5	-168.5	0	0	112.6	Q292 M295 L296 V322 M351 A353 D359 L360 N361 V365 F366 V367	Q292-M363 HydrophobicContact CB-CE 4.21Å; M295-M363 HydrophobicContact CB-SD 4.35Å; M295-M363 HydrophobicContact CE-CE 3.4Å; M295-M363 HydrophobicContact CE-SD 3.58Å; M295-M363 VanDerWaalsContact CE-SD 3.58Å; M295-M363 HydrophobicContact CG-SD 4.19Å; L296-M363 HydrophobicContact CB-SD 3.85Å; L296-M363 HydrophobicContact CD1-CB 4.33Å; L296-M363 HydrophobicContact CD1-CG 4.27Å; L296-M363 HydrophobicContact CD1-SD 4.44Å; V322-M363 HydrophobicContact CG1-CE 3.54Å; M351-M363 HydrophobicContact SD-CE 4.05Å; M351-M363 HydrophobicContact SD-CG 3.64Å; A353-M363 HydrophobicContact CB-CE 3.62Å; D359-M363 VanDerWaalsContact O-CG 3.25Å; D359-M363 WeakPolarHBondContact O-CG 3.33Å; D359-M363 PolarHBondContact O-N 2.6Å; L360-M363 WeakPolarHBondContact O-CB 3.43Å; L360-M363 PolarHBondContact O-N 2.63Å; N361-M363 VanDerWaalsContact C-N 3.34Å; N361-M363 PolarHBondContact O-N 2.7Å; M363-V365 VanDerWaalsContact C-N 3.33Å; M363-V365 PolarHBondContact O-N 2.87Å; M363-F366 PolarHBondContact O-N 3.37Å; M363-V367 WeakPolarHBondContact O-CB 3.08Å; M363-V367 VanDerWaalsContact O-CG2 3.24Å; M363-V367 WeakPolarHBondContact O-CG2 3.28Å; M363-V367 PolarHBondContact O-N 2.84Å
364	F	96.9	Very high	93.3	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-60	-41.8	175.6	-84	-70	0	0	0	112.6	C299 Y302 F303 L360 N361 D362 G368 G398 V401 A402 F405	C299-F364 HydrophobicContact CB-CD1 4.29Å; C299-F364 HydrophobicContact CB-CE1 4.07Å; C299-F364 HydrophobicContact CB-CZ 4.25Å; Y302-F364 AromaticContact CD1-CE1 3.89Å; Y302-F364 HydrophobicContact CD1-CE1 3.89Å; Y302-F364 HydrophobicContact CD1-CZ 4.33Å; Y302-F364 HydrophobicContact CG-CE1 4.46Å; F303-F364 HydrophobicContact CD2-CD1 4.39Å; F303-F364 AromaticContact CE2-CD1 3.72Å; F303-F364 HydrophobicContact CE2-CD1 3.72Å; F303-F364 HydrophobicContact CE2-CE1 4.37Å; F303-F364 HydrophobicContact CZ-CD1 4.44Å; L360-F364 HydrophobicContact CD1-CD2 4.36Å; L360-F364 HydrophobicContact CD1-CE2 3.88Å; L360-F364 HydrophobicContact CD2-CE2 4.33Å; L360-F364 HydrophobicContact CG-CD2 4.15Å; L360-F364 HydrophobicContact CG-CE2 3.88Å; L360-F364 VanDerWaalsContact O-CD2 3.31Å; L360-F364 WeakPolarHBondContact O-CD2 3.2Å; L360-F364 PolarHBondContact O-N 3.15Å; N361-F364 PolarHBondContact O-N 2.69Å; D362-F364 VanDerWaalsContact C-N 3.32Å; D362-F364 PolarHBondContact O-N 3.32Å; F364-G368 PolarHBondContact O-N 3.49Å; F364-G398 WeakPolarHBondContact O-CA 3.39Å; F364-V401 HydrophobicContact CD1-CG1 3.93Å; F364-V401 HydrophobicContact CE1-CG1 4.01Å; F364-A402 HydrophobicContact CB-CB 3.73Å; F364-A402 HydrophobicContact CD2-CB 4.11Å; F364-A402 HydrophobicContact CG-CB 3.99Å; F364-F405 HydrophobicContact CE1-CB 4.28Å; F364-F405 HydrophobicContact CE1-CD2 4.48Å; F364-F405 HydrophobicContact CE1-CG 4.35Å; F364-F405 HydrophobicContact CE2-CB 3.96Å; F364-F405 AromaticContact CE2-CD1 3.58Å; F364-F405 HydrophobicContact CE2-CD1 3.58Å; F364-F405 HydrophobicContact CE2-CD2 4.32Å; F364-F405 HydrophobicContact CE2-CE1 4.16Å; F364-F405 AromaticContact CE2-CG 3.68Å; F364-F405 HydrophobicContact CE2-CG 3.68Å; F364-F405 HydrophobicContact CZ-CB 3.65Å; F364-F405 AromaticContact CZ-CD1 3.74Å; F364-F405 HydrophobicContact CZ-CD1 3.74Å; F364-F405 AromaticContact CZ-CD2 3.61Å; F364-F405 HydrophobicContact CZ-CD2 3.61Å; F364-F405 HydrophobicContact CZ-CE1 4.3Å; F364-F405 HydrophobicContact CZ-CE2 4.16Å; F364-F405 AromaticContact CZ-CG 3.36Å; F364-F405 HydrophobicContact CZ-CG 3.36Å; F364-F405 HydrophobicContact CZ-CZ 4.47Å
365	V	97	Very high	93.4	Very high	17 Å²	17	13.6 Å²	13.6	10%	0.103	7%	0.071	C	C	.	.	H	α-helix	trans	-61.6	-49.6	177	178.8	0	0	0	0	110.8	N361 D362 M363 G368 R369 D395 K399	N361-V365 WeakPolarHBondContact O-CG2 3.45Å; N361-V365 PolarHBondContact O-N 2.93Å; D362-V365 WeakPolarHBondContact O-CB 3.43Å; D362-V365 PolarHBondContact O-N 2.99Å; M363-V365 VanDerWaalsContact C-N 3.33Å; M363-V365 PolarHBondContact O-N 2.87Å; V365-G368 PolarHBondContact O-N 3.4Å; V365-R369 PolarHBondContact O-N 2.93Å; V365-D395 HydrophobicContact CG1-CB 4.08Å; V365-K399 HydrophobicContact CG2-CG 3.69Å
366	F	96.1	Very high	93.3	Very high	16 Å²	16	13.1 Å²	13.1	7%	0.07	7%	0.068	C	C	.	.	H	α-helix	trans	-71	-39	-177.3	-66	-70.3	0	0	0	112.9	P335 T337 M349 D362 M363 G368 R369 L370	P335-F366 HydrophobicContact CB-CD2 4.01Å; P335-F366 HydrophobicContact CB-CE1 4.22Å; P335-F366 HydrophobicContact CB-CE2 3.17Å; P335-F366 HydrophobicContact CB-CZ 3.29Å; P335-F366 HydrophobicContact CG-CE2 4.27Å; T337-F366 HydrophobicContact CG2-CB 3.94Å; T337-F366 HydrophobicContact CG2-CD1 3.54Å; T337-F366 HydrophobicContact CG2-CG 4.19Å; M349-F366 HydrophobicContact CE-CB 3.56Å; M349-F366 HydrophobicContact CE-CG 4.3Å; M349-F366 HydrophobicContact SD-CB 4.08Å; D362-F366 HydrophobicContact CB-CD2 4.27Å; D362-F366 HydrophobicContact CB-CE2 3.99Å; D362-F366 WeakPolarHBondContact O-CD2 3.31Å; D362-F366 PolarHBondContact O-N 3.28Å; M363-F366 PolarHBondContact O-N 3.37Å; F366-G368 VanDerWaalsContact C-N 3.28Å; F366-G368 PolarHBondContact O-N 2.98Å; F366-R369 WeakPolarHBondContact O-CB 3.18Å; F366-R369 PolarHBondContact O-N 2.99Å; F366-L370 WeakPolarHBondContact O-CG 3.49Å; F366-L370 PolarHBondContact O-N 2.88Å; F366-L370 VanDerWaalsContact O-N 3.15Å
367	V	96.6	Very high	93.3	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-61.8	-40.7	170.9	172.8	0	0	0	0	110.1	L296 C299 V300 F303 V313 M349 M363 R369 L370 V371	L296-V367 HydrophobicContact CD1-CG2 3.55Å; C299-V367 HydrophobicContact CB-CG2 4.45Å; V300-V367 HydrophobicContact CG2-CG1 4.08Å; V300-V367 HydrophobicContact CG2-CG2 3.93Å; F303-V367 HydrophobicContact CD2-CB 4.25Å; F303-V367 HydrophobicContact CD2-CG1 3.38Å; F303-V367 HydrophobicContact CE2-CB 3.85Å; F303-V367 HydrophobicContact CE2-CG1 3.45Å; F303-V367 VanDerWaalsContact CE2-CG1 3.45Å; F303-V367 HydrophobicContact CG-CG1 4.18Å; F303-V367 HydrophobicContact CZ-CG1 4.3Å; V313-V367 HydrophobicContact CG1-CG1 4.18Å; M349-V367 HydrophobicContact SD-CG2 4.42Å; M363-V367 WeakPolarHBondContact O-CB 3.08Å; M363-V367 VanDerWaalsContact O-CG2 3.24Å; M363-V367 WeakPolarHBondContact O-CG2 3.28Å; M363-V367 PolarHBondContact O-N 2.84Å; V367-R369 VanDerWaalsContact C-N 3.3Å; V367-R369 PolarHBondContact O-N 3.38Å; V367-L370 PolarHBondContact O-N 3.41Å; V367-L370 VanDerWaalsContact O-N 3.11Å; V367-V371 HydrophobicContact CG1-CG2 4.19Å; V367-V371 WeakPolarHBondContact O-CG2 3.3Å; V367-V371 PolarHBondContact O-N 3.36Å
368	G	96.4	Very high	93.3	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-57.5	-40.2	174.7	0	0	0	0	0	113.1	F364 V365 F366 V371 Y372	F364-G368 PolarHBondContact O-N 3.49Å; V365-G368 PolarHBondContact O-N 3.4Å; F366-G368 VanDerWaalsContact C-N 3.28Å; F366-G368 PolarHBondContact O-N 2.98Å; G368-V371 PolarHBondContact O-N 2.66Å; G368-Y372 WeakPolarHBondContact O-CB 3.06Å; G368-Y372 PolarHBondContact O-N 3.23Å
369	R	95.5	Very high	93.4	Very high	24 Å²	24	20 Å²	20	9%	0.091	9%	0.092	C	C	.	.	H	α-helix	trans	-61.6	-45.6	172.9	-70.7	177.6	177.6	-176.6	2	112.5	T337 V365 F366 V367 V371 Y372 S373 F394 D395	T337-R369 HydrophobicContact CG2-CB 4.32Å; T337-R369 VanDerWaalsContact OG1-CD 3.28Å; T337-R369 WeakPolarHBondContact OG1-CD 3.2Å; T337-R369 PolarHBondContact OG1-NH1 3.36Å; T337-R369 VanDerWaalsContact OG1-NH1 3.14Å; V365-R369 PolarHBondContact O-N 2.93Å; F366-R369 WeakPolarHBondContact O-CB 3.18Å; F366-R369 PolarHBondContact O-N 2.99Å; V367-R369 VanDerWaalsContact C-N 3.3Å; V367-R369 PolarHBondContact O-N 3.38Å; R369-V371 VanDerWaalsContact C-N 3.35Å; R369-Y372 PolarHBondContact O-N 2.94Å; R369-S373 PolarHBondContact O-N 2.87Å; R369-S373 PolarHBondContact O-OG 3.3Å; R369-F394 HydrophobicContact CB-CD1 4.47Å; R369-F394 HydrophobicContact CB-CD2 4.24Å; R369-F394 HydrophobicContact CB-CE1 4.04Å; R369-F394 HydrophobicContact CB-CE2 3.78Å; R369-F394 HydrophobicContact CB-CZ 3.65Å; R369-F394 HydrophobicContact CG-CD1 3.83Å; R369-F394 HydrophobicContact CG-CD2 4.06Å; R369-F394 HydrophobicContact CG-CE1 3.83Å; R369-F394 HydrophobicContact CG-CE2 4.06Å; R369-F394 HydrophobicContact CG-CG 3.92Å; R369-F394 HydrophobicContact CG-CZ 3.92Å; R369-F394 VanDerWaalsContact CG-O 3.23Å; R369-F394 WeakPolarHBondContact CG-O 3.36Å; R369-F394 WeakPolarHBondContact O-CE2 3.18Å; R369-D395 IonicContact CZ-OD1 2.67Å; R369-D395 IonicContact NE-OD1 3.09Å; R369-D395 PolarHBondContact NE-OD1 3.11Å; R369-D395 IonicContact NH2-OD1 2.6Å; R369-D395 PolarHBondContact NH2-OD1 3.24Å; R369-D395 IonicContact NH2-OD2 3.37Å; R369-D395 PolarHBondContact NH2-OD2 3.39Å
370	L	95.2	Very high	93.3	Very high	5 Å²	5	21.3 Å²	21.3	3%	0.026	11%	0.111	C	C	.	.	H	α-helix	trans	-66.4	-36.4	178.5	-60.7	179.6	0	0	0	112.1	V313 T337 I339 D347 M349 F366 V367 S373 N374	V313-L370 HydrophobicContact CG1-CB 3.86Å; V313-L370 HydrophobicContact CG1-CD1 3.95Å; V313-L370 HydrophobicContact CG2-CB 4.24Å; T337-L370 HydrophobicContact CG2-CD2 4.24Å; T337-L370 HydrophobicContact CG2-CG 4.45Å; I339-L370 HydrophobicContact CD1-CD2 3.83Å; D347-L370 HydrophobicContact CB-CD2 3.57Å; M349-L370 HydrophobicContact CB-CD1 4.3Å; M349-L370 HydrophobicContact CG-CD1 4.04Å; M349-L370 HydrophobicContact SD-CD1 3.88Å; F366-L370 WeakPolarHBondContact O-CG 3.49Å; F366-L370 PolarHBondContact O-N 2.88Å; F366-L370 VanDerWaalsContact O-N 3.15Å; V367-L370 PolarHBondContact O-N 3.41Å; V367-L370 VanDerWaalsContact O-N 3.11Å; L370-S373 WeakPolarHBondContact CA-OG 3.1Å; L370-S373 PolarHBondContact O-OG 3.42Å; L370-N374 WeakPolarHBondContact O-CB 3.1Å; L370-N374 PolarHBondContact O-N 3.26Å; L370-N374 VanDerWaalsContact O-N 3.08Å
371	V	94.7	Very high	93.1	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-65.5	-48.7	173.4	171.2	0	0	0	0	109.9	F303 F308 T310 V313 V367 G368 R369 S373 N374 Y375 L397	F303-V371 HydrophobicContact CB-CG2 4.41Å; F303-V371 HydrophobicContact CD1-CG1 4.47Å; F303-V371 HydrophobicContact CD1-CG2 4.04Å; F303-V371 HydrophobicContact CE1-CG2 4.48Å; F303-V371 HydrophobicContact CG-CG2 4.19Å; F308-V371 HydrophobicContact CB-CG1 3.9Å; F308-V371 HydrophobicContact CD1-CG1 3.98Å; F308-V371 HydrophobicContact CG-CG1 3.97Å; T310-V371 HydrophobicContact CG2-CG2 4.12Å; V313-V371 HydrophobicContact CG2-CG2 4.1Å; V367-V371 HydrophobicContact CG1-CG2 4.19Å; V367-V371 WeakPolarHBondContact O-CG2 3.3Å; V367-V371 PolarHBondContact O-N 3.36Å; G368-V371 PolarHBondContact O-N 2.66Å; R369-V371 VanDerWaalsContact C-N 3.35Å; V371-S373 VanDerWaalsContact C-N 3.33Å; V371-S373 PolarHBondContact O-N 2.91Å; V371-N374 WeakPolarHBondContact O-CB 3.39Å; V371-N374 PolarHBondContact O-N 3.48Å; V371-Y375 HydrophobicContact CG1-CD2 4.19Å; V371-Y375 HydrophobicContact CG1-CE2 3.87Å; V371-Y375 VanDerWaalsContact O-CD2 3.24Å; V371-Y375 WeakPolarHBondContact O-CD2 3.49Å; V371-Y375 PolarHBondContact O-N 3.01Å; V371-L397 HydrophobicContact CB-CD2 4.4Å; V371-L397 HydrophobicContact CG1-CD2 4.05Å
372	Y	94.1	Very high	93	Very high	1 Å²	1	21.9 Å²	21.9	0%	0.004	12%	0.115	C	C	.	.	H	α-helix	trans	-55	-51	176.3	-159.2	-34.8	0	0	0	110.2	G368 R369 N374 Y375 Y376 A388 M393 F557 L558 A561	G368-Y372 WeakPolarHBondContact O-CB 3.06Å; G368-Y372 PolarHBondContact O-N 3.23Å; R369-Y372 PolarHBondContact O-N 2.94Å; Y372-N374 VanDerWaalsContact C-N 3.28Å; Y372-N374 PolarHBondContact O-N 3.17Å; Y372-Y375 PolarHBondContact O-N 3.44Å; Y372-Y375 VanDerWaalsContact O-N 3.1Å; Y372-Y376 AromaticContact CD1-CD1 3.71Å; Y372-Y376 HydrophobicContact CD1-CD1 3.71Å; Y372-Y376 AromaticContact CD1-CE1 3.95Å; Y372-Y376 HydrophobicContact CD1-CE1 3.95Å; Y372-Y376 HydrophobicContact CE1-CD1 4.01Å; Y372-Y376 HydrophobicContact CE1-CE1 4.44Å; Y372-Y376 WeakPolarHBondContact O-CD1 3.25Å; Y372-A388 HydrophobicContact CE2-CB 4.23Å; Y372-M393 HydrophobicContact CE2-CB 4.2Å; Y372-F557 HydrophobicContact CE2-CE1 4.44Å; Y372-F557 VanDerWaalsContact OH-CE1 3.31Å; Y372-F557 WeakPolarHBondContact OH-CE1 3.48Å; Y372-L558 HydrophobicContact CD1-CB 4.05Å; Y372-L558 HydrophobicContact CD1-CD2 3.76Å; Y372-L558 HydrophobicContact CD1-CG 4.46Å; Y372-L558 HydrophobicContact CD2-CD2 3.46Å; Y372-L558 VanDerWaalsContact CD2-CD2 3.46Å; Y372-L558 HydrophobicContact CE1-CB 4.06Å; Y372-L558 HydrophobicContact CE1-CD2 3.76Å; Y372-L558 VanDerWaalsContact CE1-O 3.26Å; Y372-L558 WeakPolarHBondContact CE1-O 2.99Å; Y372-L558 HydrophobicContact CE2-CD2 3.45Å; Y372-L558 VanDerWaalsContact CE2-CD2 3.45Å; Y372-L558 HydrophobicContact CG-CD2 3.61Å; Y372-A561 HydrophobicContact CE1-CB 4.3Å
373	S	93.4	Very high	93	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-59.2	-39	-178.9	63.8	0	0	0	0	113.5	D347 R369 L370 V371 Y375 Y376 K377	D347-S373 WeakPolarHBondContact OD2-CB 3.34Å; D347-S373 PolarHBondContact OD2-OG 3.07Å; R369-S373 PolarHBondContact O-N 2.87Å; R369-S373 PolarHBondContact O-OG 3.3Å; L370-S373 WeakPolarHBondContact CA-OG 3.1Å; L370-S373 PolarHBondContact O-OG 3.42Å; V371-S373 VanDerWaalsContact C-N 3.33Å; V371-S373 PolarHBondContact O-N 2.91Å; S373-Y375 VanDerWaalsContact C-N 3.27Å; S373-Y375 PolarHBondContact O-N 2.95Å; S373-Y376 VanDerWaalsContact CA-CE1 3.41Å; S373-Y376 VanDerWaalsContact CA-CZ 3.4Å; S373-Y376 WeakPolarHBondContact CB-OH 3.39Å; S373-Y376 WeakPolarHBondContact O-CD2 3.25Å; S373-Y376 PolarHBondContact O-N 3.4Å; S373-K377 WeakPolarHBondContact O-CB 3.32Å; S373-K377 VanDerWaalsContact O-CG 3.26Å; S373-K377 WeakPolarHBondContact O-CG 3.15Å; S373-K377 PolarHBondContact O-N 3.07Å
374	N	92.1	Very high	92.7	Very high	10 Å²	10	20.9 Å²	20.9	5%	0.053	11%	0.108	C	C	.	.	H	α-helix	trans	-55.7	-41.6	176.7	-166.4	36	0	0	0	112.6	N309 S312 L370 V371 Y372 K378	N309-N374 PolarHBondContact O-ND2 3.48Å; N309-N374 PolarHBondContact OD1-ND2 2.96Å; S312-N374 PolarHBondContact OG-ND2 2.88Å; S312-N374 VanDerWaalsContact OG-ND2 3.11Å; S312-N374 PolarHBondContact OG-OD1 3.04Å; L370-N374 WeakPolarHBondContact O-CB 3.1Å; L370-N374 PolarHBondContact O-N 3.26Å; L370-N374 VanDerWaalsContact O-N 3.08Å; V371-N374 WeakPolarHBondContact O-CB 3.39Å; V371-N374 PolarHBondContact O-N 3.48Å; Y372-N374 VanDerWaalsContact C-N 3.28Å; Y372-N374 PolarHBondContact O-N 3.17Å; N374-K378 PolarHBondContact ND2-NZ 3.39Å; N374-K378 WeakPolarHBondContact O-CB 3.24Å; N374-K378 WeakPolarHBondContact O-CG 3.44Å; N374-K378 PolarHBondContact O-N 3.42Å; N374-K378 WeakPolarHBondContact OD1-CE 3.36Å
375	Y	91.9	Very high	92.4	Very high	26 Å²	26	21.5 Å²	21.5	10%	0.102	11%	0.111	C	C	.	.	H	α-helix	trans	-66.7	-50.9	-177.3	-83.8	-78.8	0	0	0	112.8	F308 N309 V371 Y372 S373 K377 K379 K555 L558	F308-Y375 HydrophobicContact CB-CE2 4.46Å; F308-Y375 AromaticContact CD1-CE2 3.7Å; F308-Y375 HydrophobicContact CD1-CE2 3.7Å; N309-Y375 PolarHBondContact N-OH 2.91Å; V371-Y375 HydrophobicContact CG1-CD2 4.19Å; V371-Y375 HydrophobicContact CG1-CE2 3.87Å; V371-Y375 VanDerWaalsContact O-CD2 3.24Å; V371-Y375 WeakPolarHBondContact O-CD2 3.49Å; V371-Y375 PolarHBondContact O-N 3.01Å; Y372-Y375 PolarHBondContact O-N 3.44Å; Y372-Y375 VanDerWaalsContact O-N 3.1Å; S373-Y375 VanDerWaalsContact C-N 3.27Å; S373-Y375 PolarHBondContact O-N 2.95Å; Y375-K377 VanDerWaalsContact C-N 3.29Å; Y375-K377 PolarHBondContact O-N 2.91Å; Y375-K379 PolarHBondContact O-N 3.05Å; Y375-K379 VanDerWaalsContact O-N 3.15Å; Y375-K555 HydrophobicContact CD1-CB 4.12Å; Y375-K555 HydrophobicContact CD1-CG 4.37Å; Y375-K555 HydrophobicContact CE1-CB 3.68Å; Y375-K555 HydrophobicContact CE1-CD 3.94Å; Y375-K555 HydrophobicContact CE1-CG 3.53Å; Y375-K555 HydrophobicContact CE2-CG 4.46Å; Y375-K555 WeakPolarHBondContact OH-CE 3.19Å; Y375-L558 HydrophobicContact CD2-CB 4.32Å; Y375-L558 HydrophobicContact CD2-CD1 3.85Å; Y375-L558 HydrophobicContact CE2-CD1 4.29Å; Y375-L558 HydrophobicContact CG-CB 4.1Å; Y375-L558 HydrophobicContact CG-CD1 4.4Å
376	Y	90.5	Very high	92.1	Very high	2 Å²	2	22.2 Å²	22.2	1%	0.008	11%	0.112	C	C	.	.	H	α-helix	trans	-72.9	-24.6	-179.1	63.7	-120.6	0	0	0	113.5	I339 Y372 S373 N381 R386 A561	I339-Y376 WeakPolarHBondContact CG2-OH 3.38Å; Y372-Y376 AromaticContact CD1-CD1 3.71Å; Y372-Y376 HydrophobicContact CD1-CD1 3.71Å; Y372-Y376 AromaticContact CD1-CE1 3.95Å; Y372-Y376 HydrophobicContact CD1-CE1 3.95Å; Y372-Y376 HydrophobicContact CE1-CD1 4.01Å; Y372-Y376 HydrophobicContact CE1-CE1 4.44Å; Y372-Y376 WeakPolarHBondContact O-CD1 3.25Å; S373-Y376 VanDerWaalsContact CA-CE1 3.41Å; S373-Y376 VanDerWaalsContact CA-CZ 3.4Å; S373-Y376 WeakPolarHBondContact CB-OH 3.39Å; S373-Y376 WeakPolarHBondContact O-CD2 3.25Å; S373-Y376 PolarHBondContact O-N 3.4Å; Y376-N381 WeakPolarHBondContact O-CB 3.33Å; Y376-N381 PolarHBondContact O-N 3.34Å; Y376-R386 HydrophobicContact CD2-CB 4.09Å; Y376-R386 HydrophobicContact CD2-CG 4Å; Y376-R386 HydrophobicContact CE2-CB 3.83Å; Y376-R386 HydrophobicContact CE2-CG 4.16Å; Y376-A561 HydrophobicContact CD1-CB 3.48Å; Y376-A561 VanDerWaalsContact CD1-CB 3.48Å; Y376-A561 HydrophobicContact CE1-CB 4.41Å; Y376-A561 HydrophobicContact CG-CB 3.66Å
377	K	89.3	Confident	91.7	Very high	13 Å²	13	24.8 Å²	24.8	6%	0.057	13%	0.127	C	C	.	.	H	α-helix	trans	-69.3	-52.9	173.9	-80.9	-160.2	-53.5	176.4	0	110.9	I339 Y340 D343 D347 S373 Y375 K379 G380 R386	I339-K377 HydrophobicContact CG2-CD 4.5Å; Y340-K377 WeakPolarHBondContact O-CD 3.4Å; D343-K377 VanDerWaalsContact OD1-C 3.28Å; D343-K377 WeakPolarHBondContact OD1-CB 3.34Å; D347-K377 IonicContact OD1-NZ 3.55Å; D347-K377 PolarHBondContact OD1-NZ 2.75Å; D347-K377 VanDerWaalsContact OD2-CE 3.23Å; D347-K377 WeakPolarHBondContact OD2-CE 3.28Å; D347-K377 IonicContact OD2-NZ 3.69Å; D347-K377 PolarHBondContact OD2-NZ 3.49Å; S373-K377 WeakPolarHBondContact O-CB 3.32Å; S373-K377 VanDerWaalsContact O-CG 3.26Å; S373-K377 WeakPolarHBondContact O-CG 3.15Å; S373-K377 PolarHBondContact O-N 3.07Å; Y375-K377 VanDerWaalsContact C-N 3.29Å; Y375-K377 PolarHBondContact O-N 2.91Å; K377-K379 VanDerWaalsContact C-N 3.26Å; K377-K379 PolarHBondContact O-N 3.22Å; K377-G380 WeakPolarHBondContact O-CA 3.15Å; K377-G380 PolarHBondContact O-N 3.35Å; K377-R386 PolarHBondContact O-NH2 3.12Å
378	K	87.6	Confident	91.3	Very high	113 Å²	113	25.1 Å²	25.1	49%	0.491	13%	0.129	S	C	.	.	H	α-helix	trans	-61.3	-26.8	177.8	-75.5	-180	173.5	177.1	0	114.3	N309 N374 G380	N309-K378 PolarHBondContact OD1-NZ 2.88Å; N374-K378 PolarHBondContact ND2-NZ 3.39Å; N374-K378 WeakPolarHBondContact O-CB 3.24Å; N374-K378 WeakPolarHBondContact O-CG 3.44Å; N374-K378 PolarHBondContact O-N 3.42Å; N374-K378 WeakPolarHBondContact OD1-CE 3.36Å; K378-G380 PolarHBondContact O-N 3.08Å
379	K	88.4	Confident	91	Very high	94 Å²	94	25.9 Å²	25.9	41%	0.409	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-19.8	171.1	-169.9	-177.5	171.6	-165.8	0	112.5	Y375 K377 N381 S559 E563	Y375-K379 PolarHBondContact O-N 3.05Å; Y375-K379 VanDerWaalsContact O-N 3.15Å; K377-K379 VanDerWaalsContact C-N 3.26Å; K377-K379 PolarHBondContact O-N 3.22Å; K379-N381 WeakPolarHBondContact CD-OD1 3.3Å; K379-S559 WeakPolarHBondContact CD-O 3.12Å; K379-E563 IonicContact NZ-OE2 2.66Å; K379-E563 PolarHBondContact NZ-OE2 2.62Å
380	G	88.1	Confident	90.8	Very high	47 Å²	47	25.7 Å²	25.7	49%	0.485	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.1	26.5	-175.1	0	0	0	0	0	113.2	K377 K378	K377-G380 WeakPolarHBondContact O-CA 3.15Å; K377-G380 PolarHBondContact O-N 3.35Å; K378-G380 PolarHBondContact O-N 3.08Å
381	N	89.4	Confident	90.6	Very high	10 Å²	10	27 Å²	27	5%	0.053	15%	0.145	C	C	.	.			trans	-63	136.9	177.8	-71.7	-8.6	0	0	0	110.5	Y376 K379 F385 R386 S559	Y376-N381 WeakPolarHBondContact O-CB 3.33Å; Y376-N381 PolarHBondContact O-N 3.34Å; K379-N381 WeakPolarHBondContact CD-OD1 3.3Å; N381-F385 HydrophobicContact CB-CB 4.2Å; N381-R386 HydrophobicContact CB-CG 4.26Å; N381-R386 VanDerWaalsContact O-CD 3.29Å; N381-R386 WeakPolarHBondContact O-CD 3.45Å; N381-R386 VanDerWaalsContact O-CG 3.27Å; N381-R386 WeakPolarHBondContact O-CG 3.49Å; N381-R386 PolarHBondContact O-NE 2.73Å; N381-S559 PolarHBondContact ND2-O 2.87Å
382	P	91.3	Very high	90.5	Very high	29 Å²	29	27 Å²	27	19%	0.188	15%	0.145	C	C	.	.			trans	-60.2	158.5	173	-25.3	34.3	0	0	0	113.2	D34 Y384 F385 R386	D34-P382 HydrophobicContact CB-CB 4.43Å; D34-P382 VanDerWaalsContact OD1-CA 3.26Å; D34-P382 WeakPolarHBondContact OD1-CA 3.26Å; D34-P382 WeakPolarHBondContact OD1-CB 3.49Å; P382-Y384 HydrophobicContact CB-CD1 3.87Å; P382-Y384 HydrophobicContact CB-CD2 4.06Å; P382-Y384 HydrophobicContact CB-CE1 3.4Å; P382-Y384 VanDerWaalsContact CB-CE1 3.4Å; P382-Y384 HydrophobicContact CB-CE2 3.62Å; P382-Y384 HydrophobicContact CB-CG 4.19Å; P382-Y384 HydrophobicContact CG-CE1 4.17Å; P382-Y384 HydrophobicContact CG-CE2 3.86Å; P382-Y384 WeakPolarHBondContact CG-OH 3.41Å; P382-Y384 PolarHBondContact O-N 3.4Å; P382-F385 CarbonylContact O-C 3.57Å; P382-F385 WeakPolarHBondContact O-CA 3.3Å; P382-F385 PolarHBondContact O-N 2.86Å; P382-R386 WeakPolarHBondContact O-CG 3.45Å; P382-R386 PolarHBondContact O-N 3.38Å
383	V	91.6	Very high	90.4	Very high	5 Å²	5	27 Å²	27	3%	0.03	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-30.2	-180	171.8	0	0	0	0	113.2	F33 D34 Q38 F41 K100 P341 F385	F33-V383 HydrophobicContact CE1-CG1 4.3Å; D34-V383 WeakPolarHBondContact OD1-CG2 3.46Å; D34-V383 PolarHBondContact OD1-N 2.97Å; Q38-V383 HydrophobicContact CG-CG2 3.56Å; F41-V383 HydrophobicContact CD2-CG1 3.63Å; F41-V383 HydrophobicContact CE2-CG1 3.69Å; F41-V383 HydrophobicContact CG-CG1 4.5Å; K100-V383 PolarHBondContact NZ-O 2.9Å; P341-V383 HydrophobicContact CB-CG2 3.94Å; V383-F385 VanDerWaalsContact C-N 3.33Å
384	Y	90.9	Very high	90.3	Very high	26 Å²	26	28.3 Å²	28.3	10%	0.102	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-13.7	176.2	49.8	-101.9	0	0	0	114.6	L30 F33 D34 A93 N96 I97 P382	L30-Y384 HydrophobicContact CB-CE1 4.12Å; L30-Y384 HydrophobicContact CD2-CD1 4.45Å; L30-Y384 HydrophobicContact CD2-CE1 4.12Å; F33-Y384 AromaticContact CD1-CD1 3.87Å; F33-Y384 HydrophobicContact CD1-CD1 3.87Å; F33-Y384 HydrophobicContact CE1-CD1 4.37Å; D34-Y384 HydrophobicContact CB-CE1 4.41Å; A93-Y384 HydrophobicContact CB-CD2 3.53Å; A93-Y384 HydrophobicContact CB-CE2 3.39Å; A93-Y384 HydrophobicContact CB-CG 4.3Å; N96-Y384 VanDerWaalsContact CB-O 3.27Å; N96-Y384 WeakPolarHBondContact CB-O 3.29Å; N96-Y384 PolarHBondContact ND2-O 3.36Å; I97-Y384 HydrophobicContact CD1-CD1 4.1Å; I97-Y384 HydrophobicContact CD1-CG 4.32Å; I97-Y384 HydrophobicContact CG1-CD1 4.45Å; I97-Y384 HydrophobicContact CG1-CG 4.29Å; P382-Y384 HydrophobicContact CB-CD1 3.87Å; P382-Y384 HydrophobicContact CB-CD2 4.06Å; P382-Y384 HydrophobicContact CB-CE1 3.4Å; P382-Y384 VanDerWaalsContact CB-CE1 3.4Å; P382-Y384 HydrophobicContact CB-CE2 3.62Å; P382-Y384 HydrophobicContact CB-CG 4.19Å; P382-Y384 HydrophobicContact CG-CE1 4.17Å; P382-Y384 HydrophobicContact CG-CE2 3.86Å; P382-Y384 WeakPolarHBondContact CG-OH 3.41Å; P382-Y384 PolarHBondContact O-N 3.4Å
385	F	90.7	Very high	90.4	Very high	14 Å²	14	28 Å²	28	6%	0.061	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.9	-7.3	171.9	-66.5	-40.9	0	0	0	114.1	K92 A93 N96 N381 P382 V383 D387 G562 E563	K92-F385 HydrophobicContact CB-CE1 4.05Å; K92-F385 HydrophobicContact CB-CZ 4.17Å; A93-F385 HydrophobicContact CB-CE1 4.36Å; A93-F385 HydrophobicContact CB-CE2 4.39Å; A93-F385 HydrophobicContact CB-CZ 3.81Å; N96-F385 VanDerWaalsContact ND2-CD1 3.32Å; N96-F385 WeakPolarHBondContact ND2-CD1 3.48Å; N381-F385 HydrophobicContact CB-CB 4.2Å; P382-F385 CarbonylContact O-C 3.57Å; P382-F385 WeakPolarHBondContact O-CA 3.3Å; P382-F385 PolarHBondContact O-N 2.86Å; V383-F385 VanDerWaalsContact C-N 3.33Å; F385-D387 PolarHBondContact O-N 3.04Å; F385-G562 WeakPolarHBondContact CD1-O 3.49Å; F385-G562 PolarHBondContact O-N 3.3Å; F385-E563 HydrophobicContact CG-CB 4.45Å
386	R	89.1	Confident	90.6	Very high	31 Å²	31	26.8 Å²	26.8	12%	0.117	14%	0.144	C	C	.	.			trans	-74.4	68.3	175.5	-73.1	-178.2	164.7	159.3	-0.8	112.3	P341 D343 Y376 K377 N381 P382	P341-R386 VanDerWaalsContact O-CD 3.25Å; P341-R386 WeakPolarHBondContact O-CD 3.5Å; P341-R386 VanDerWaalsContact O-CZ 3.27Å; P341-R386 PolarHBondContact O-NE 2.83Å; P341-R386 PolarHBondContact O-NH1 2.85Å; D343-R386 IonicContact OD1-CZ 2.81Å; D343-R386 IonicContact OD1-NH2 2.88Å; D343-R386 PolarHBondContact OD1-NH2 3.03Å; D343-R386 IonicContact OD2-NH2 2.7Å; D343-R386 PolarHBondContact OD2-NH2 3.3Å; Y376-R386 HydrophobicContact CD2-CB 4.09Å; Y376-R386 HydrophobicContact CD2-CG 4Å; Y376-R386 HydrophobicContact CE2-CB 3.83Å; Y376-R386 HydrophobicContact CE2-CG 4.16Å; K377-R386 PolarHBondContact O-NH2 3.12Å; N381-R386 HydrophobicContact CB-CG 4.26Å; N381-R386 VanDerWaalsContact O-CD 3.29Å; N381-R386 WeakPolarHBondContact O-CD 3.45Å; N381-R386 VanDerWaalsContact O-CG 3.27Å; N381-R386 WeakPolarHBondContact O-CG 3.49Å; N381-R386 PolarHBondContact O-NE 2.73Å; P382-R386 WeakPolarHBondContact O-CG 3.45Å; P382-R386 PolarHBondContact O-N 3.38Å
387	D	87.7	Confident	90.8	Very high	71 Å²	71	26.7 Å²	26.7	38%	0.38	14%	0.144	S	C	.	.	S	Bend	trans	-155.3	159.2	171.5	-155.9	-17.3	0	0	0	108.7	F385 A561 G562	F385-D387 PolarHBondContact O-N 3.04Å; D387-A561 CarbonylContact O-C 3.5Å; D387-A561 VanDerWaalsContact O-CB 3.24Å; D387-A561 WeakPolarHBondContact O-CB 3.36Å; D387-G562 PolarHBondContact O-N 2.8Å
388	A	89.8	Confident	91.2	Very high	6 Å²	6	26.1 Å²	26.1	5%	0.05	14%	0.142	C	C	.	.			trans	-60	158.1	173.3	0	0	0	0	0	111	Y372 N390 M393 F394	Y372-A388 HydrophobicContact CE2-CB 4.23Å; A388-N390 PolarHBondContact O-N 3.43Å; A388-N390 VanDerWaalsContact O-N 3.08Å; A388-M393 HydrophobicContact CB-CB 4.34Å; A388-F394 HydrophobicContact CB-CB 3.68Å; A388-F394 HydrophobicContact CB-CD2 3.81Å; A388-F394 HydrophobicContact CB-CG 4.01Å
389	A	89.4	Confident	91.6	Very high	17 Å²	17	22.3 Å²	22.3	14%	0.14	13%	0.125	C	C	.	.	S	Bend	trans	-53.7	-34.8	-178.9	0	0	0	0	0	113.1	M393 F557 W564	A389-M393 HydrophobicContact CB-CG 4.18Å; A389-F557 HydrophobicContact CB-CZ 4.35Å; A389-W564 VanDerWaalsContact CB-O 3.3Å; A389-W564 WeakPolarHBondContact CB-O 3.34Å
390	N	90.4	Very high	91.9	Very high	19 Å²	19	17.8 Å²	17.8	10%	0.102	11%	0.106	C	C	.	.	S	Bend	trans	-154.1	168.2	164.8	63.6	57.3	0	0	0	109.1	Q207 Y208 A388 G392 M393 F515	Q207-N390 WeakPolarHBondContact O-CB 3.4Å; Y208-N390 HydrophobicContact CD1-CB 3.92Å; Y208-N390 HydrophobicContact CE1-CB 4.07Å; Y208-N390 HydrophobicContact CG-CB 4.46Å; A388-N390 PolarHBondContact O-N 3.43Å; A388-N390 VanDerWaalsContact O-N 3.08Å; N390-G392 PolarHBondContact O-N 2.86Å; N390-G392 VanDerWaalsContact O-N 3.15Å; N390-G392 PolarHBondContact OD1-N 3.47Å; N390-M393 PolarHBondContact O-N 3.42Å; N390-M393 PolarHBondContact OD1-N 3.47Å; N390-F515 WeakPolarHBondContact OD1-CE1 3.16Å
391	P	91.1	Very high	92.2	Very high	34 Å²	34	15.6 Å²	15.6	22%	0.221	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-31.6	-176.2	-27	35.2	0	0	0	114.7	Q207 Y208 R512	Q207-P391 HydrophobicContact CB-CG 3.93Å; Y208-P391 HydrophobicContact CE2-CG 4.3Å; P391-R512 HydrophobicContact CB-CB 4.32Å
392	G	92.7	Very high	92.5	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-27.2	178.8	0	0	0	0	0	113.4	Y208 N390 F394 D395 S396 S516	Y208-G392 PolarHBondContact OH-N 3.4Å; N390-G392 PolarHBondContact O-N 2.86Å; N390-G392 VanDerWaalsContact O-N 3.15Å; N390-G392 PolarHBondContact OD1-N 3.47Å; G392-F394 PolarHBondContact O-N 2.82Å; G392-D395 PolarHBondContact O-N 3.28Å; G392-S396 PolarHBondContact O-N 3.39Å; G392-S516 WeakPolarHBondContact O-CA 3.32Å; G392-S516 WeakPolarHBondContact O-CB 3.45Å
393	M	92.1	Very high	92.6	Very high	1 Å²	1	15 Å²	15	1%	0.005	8%	0.079	C	C	.	.	H	α-helix	trans	-64.3	-30.3	175.3	-73.2	-49	-59.8	0	0	112.6	Y372 A388 A389 N390 D395 S396 F515 V519 L523 F557 F567	Y372-M393 HydrophobicContact CE2-CB 4.2Å; A388-M393 HydrophobicContact CB-CB 4.34Å; A389-M393 HydrophobicContact CB-CG 4.18Å; N390-M393 PolarHBondContact O-N 3.42Å; N390-M393 PolarHBondContact OD1-N 3.47Å; M393-D395 PolarHBondContact O-N 2.87Å; M393-S396 WeakPolarHBondContact CE-OG 3.23Å; M393-S396 PolarHBondContact O-N 3.25Å; M393-S396 PolarHBondContact O-OG 2.94Å; M393-F515 HydrophobicContact CG-CE1 4.35Å; M393-F515 HydrophobicContact SD-CE1 3.94Å; M393-V519 HydrophobicContact CE-CG1 3.82Å; M393-V519 HydrophobicContact SD-CB 4.41Å; M393-V519 HydrophobicContact SD-CG1 3.68Å; M393-V519 HydrophobicContact SD-CG2 4.33Å; M393-L523 HydrophobicContact CE-CD1 4.49Å; M393-F557 HydrophobicContact CE-CE1 3.59Å; M393-F557 HydrophobicContact CE-CZ 3.63Å; M393-F557 HydrophobicContact CG-CZ 4.49Å; M393-F567 HydrophobicContact CE-CD2 4.27Å; M393-F567 HydrophobicContact CE-CG 4.47Å; M393-F567 HydrophobicContact SD-CB 4.31Å; M393-F567 HydrophobicContact SD-CG 4.27Å
394	F	91.2	Very high	92.5	Very high	27 Å²	27	14.8 Å²	14.8	12%	0.118	8%	0.078	C	C	.	.	H	α-helix	trans	-62.5	-29	-174.8	-156.7	-146	0	0	0	113	I339 R369 A388 G392	I339-F394 HydrophobicContact CD1-CZ 4.05Å; I339-F394 HydrophobicContact CG1-CE1 4.41Å; I339-F394 HydrophobicContact CG1-CE2 4.46Å; I339-F394 HydrophobicContact CG1-CZ 3.59Å; R369-F394 HydrophobicContact CB-CD1 4.47Å; R369-F394 HydrophobicContact CB-CD2 4.24Å; R369-F394 HydrophobicContact CB-CE1 4.04Å; R369-F394 HydrophobicContact CB-CE2 3.78Å; R369-F394 HydrophobicContact CB-CZ 3.65Å; R369-F394 HydrophobicContact CG-CD1 3.83Å; R369-F394 HydrophobicContact CG-CD2 4.06Å; R369-F394 HydrophobicContact CG-CE1 3.83Å; R369-F394 HydrophobicContact CG-CE2 4.06Å; R369-F394 HydrophobicContact CG-CG 3.92Å; R369-F394 HydrophobicContact CG-CZ 3.92Å; R369-F394 VanDerWaalsContact CG-O 3.23Å; R369-F394 WeakPolarHBondContact CG-O 3.36Å; R369-F394 WeakPolarHBondContact O-CE2 3.18Å; A388-F394 HydrophobicContact CB-CB 3.68Å; A388-F394 HydrophobicContact CB-CD2 3.81Å; A388-F394 HydrophobicContact CB-CG 4.01Å; G392-F394 PolarHBondContact O-N 2.82Å
395	D	94.9	Very high	92.5	Very high	3 Å²	3	13.9 Å²	13.9	2%	0.016	7%	0.074	C	C	.	.	H	α-helix	trans	-96.2	-21.6	-179.4	-62.4	-6.6	0	0	0	112.3	V365 R369 G392 M393 L397 G398 K399 R512	V365-D395 HydrophobicContact CG1-CB 4.08Å; R369-D395 IonicContact CZ-OD1 2.67Å; R369-D395 IonicContact NE-OD1 3.09Å; R369-D395 PolarHBondContact NE-OD1 3.11Å; R369-D395 IonicContact NH2-OD1 2.6Å; R369-D395 PolarHBondContact NH2-OD1 3.24Å; R369-D395 IonicContact NH2-OD2 3.37Å; R369-D395 PolarHBondContact NH2-OD2 3.39Å; G392-D395 PolarHBondContact O-N 3.28Å; M393-D395 PolarHBondContact O-N 2.87Å; D395-L397 PolarHBondContact O-N 3.41Å; D395-G398 PolarHBondContact O-N 2.85Å; D395-K399 HydrophobicContact CB-CD 4.47Å; D395-K399 WeakPolarHBondContact O-CG 3.27Å; D395-K399 PolarHBondContact O-N 3.5Å; D395-R512 IonicContact OD2-NE 3.85Å
396	S	95.9	Very high	92.4	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-62.5	-40.2	-169.3	66.9	0	0	0	0	113.7	G392 M393 K399 A400 S520 L523	G392-S396 PolarHBondContact O-N 3.39Å; M393-S396 WeakPolarHBondContact CE-OG 3.23Å; M393-S396 PolarHBondContact O-N 3.25Å; M393-S396 PolarHBondContact O-OG 2.94Å; S396-K399 PolarHBondContact O-N 3.2Å; S396-A400 WeakPolarHBondContact O-CB 3.3Å; S396-A400 PolarHBondContact O-N 3.22Å; S396-S520 VanDerWaalsContact O-CB 3.32Å; S396-S520 WeakPolarHBondContact O-CB 3.3Å; S396-L523 WeakPolarHBondContact OG-CD1 3.27Å
397	L	95.4	Very high	92.3	Very high	1 Å²	1	12.7 Å²	12.7	1%	0.005	7%	0.071	C	C	.	.	H	α-helix	trans	-62.7	-50.6	-179.9	175.7	62.6	0	0	0	111.1	F303 F308 V371 D395 K399 A400 V401 F527 L558	F303-L397 HydrophobicContact CE1-CD2 4.47Å; F303-L397 HydrophobicContact CE1-CG 4.21Å; F308-L397 HydrophobicContact CE1-CD1 4.38Å; F308-L397 HydrophobicContact CE2-CD1 4.04Å; F308-L397 HydrophobicContact CZ-CD1 3.65Å; V371-L397 HydrophobicContact CB-CD2 4.4Å; V371-L397 HydrophobicContact CG1-CD2 4.05Å; D395-L397 PolarHBondContact O-N 3.41Å; L397-K399 PolarHBondContact O-N 2.97Å; L397-A400 PolarHBondContact O-N 3.16Å; L397-V401 HydrophobicContact CD1-CG2 4.32Å; L397-V401 WeakPolarHBondContact O-CG2 3.42Å; L397-V401 PolarHBondContact O-N 2.95Å; L397-F527 HydrophobicContact CD1-CE2 4.5Å; L397-F527 HydrophobicContact CD1-CZ 3.97Å; L397-L558 HydrophobicContact CD2-CD1 3.76Å; L397-L558 HydrophobicContact CD2-CD2 4.2Å
398	G	96.7	Very high	92.2	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-66.2	-38.4	-179.3	0	0	0	0	0	112.8	F364 D395 A400 V401 A402	F364-G398 WeakPolarHBondContact O-CA 3.39Å; D395-G398 PolarHBondContact O-N 2.85Å; G398-A400 PolarHBondContact O-N 3.43Å; G398-V401 PolarHBondContact O-N 3.27Å; G398-A402 WeakPolarHBondContact O-CB 3.29Å; G398-A402 PolarHBondContact O-N 3.35Å
399	K	96.9	Very high	91.9	Very high	33 Å²	33	10.4 Å²	10.4	14%	0.143	6%	0.06	C	C	.	.	H	α-helix	trans	-60.7	-42.4	171.8	-71.6	-177.5	179.2	-174.9	0	111.9	V365 D395 S396 L397 A402 L403 E513 S516 T517 S520	V365-K399 HydrophobicContact CG2-CG 3.69Å; D395-K399 HydrophobicContact CB-CD 4.47Å; D395-K399 WeakPolarHBondContact O-CG 3.27Å; D395-K399 PolarHBondContact O-N 3.5Å; S396-K399 PolarHBondContact O-N 3.2Å; L397-K399 PolarHBondContact O-N 2.97Å; K399-A402 WeakPolarHBondContact O-CB 3.33Å; K399-A402 PolarHBondContact O-N 3.08Å; K399-L403 WeakPolarHBondContact O-CG 3.45Å; K399-L403 PolarHBondContact O-N 3.44Å; K399-E513 IonicContact NZ-OE2 2.66Å; K399-E513 PolarHBondContact NZ-OE2 2.92Å; K399-S516 PolarHBondContact NZ-OG 3.14Å; K399-T517 PolarHBondContact NZ-OG1 3.36Å; K399-S520 VanDerWaalsContact CB-CB 3.42Å
400	A	94.9	Very high	91.7	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-66	-42.1	-179.7	0	0	0	0	0	112.2	S396 L397 G398 A402 L403 A404 S520 L523 F524 F527	S396-A400 WeakPolarHBondContact O-CB 3.3Å; S396-A400 PolarHBondContact O-N 3.22Å; L397-A400 PolarHBondContact O-N 3.16Å; G398-A400 PolarHBondContact O-N 3.43Å; A400-A402 VanDerWaalsContact C-N 3.34Å; A400-L403 WeakPolarHBondContact O-CB 3.43Å; A400-L403 PolarHBondContact O-N 3.03Å; A400-A404 PolarHBondContact O-N 2.74Å; A400-S520 VanDerWaalsContact CB-O 3.3Å; A400-S520 WeakPolarHBondContact CB-O 3.4Å; A400-L523 HydrophobicContact CB-CB 3.73Å; A400-L523 HydrophobicContact CB-CD1 4.49Å; A400-F524 HydrophobicContact CB-CB 4.41Å; A400-F527 HydrophobicContact CB-CD2 4.45Å; A400-F527 HydrophobicContact CB-CE2 3.84Å
401	V	94.6	Very high	91.5	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-68.4	-35.1	176.8	175.5	0	0	0	0	111.3	Y302 F303 I306 F364 L397 G398 A404 F405 F527	Y302-V401 HydrophobicContact CD1-CG1 3.58Å; Y302-V401 HydrophobicContact CE1-CG1 3.78Å; F303-V401 HydrophobicContact CD1-CG1 4.32Å; F303-V401 HydrophobicContact CD1-CG2 4.17Å; F303-V401 HydrophobicContact CD2-CG1 4.34Å; F303-V401 HydrophobicContact CE1-CB 3.94Å; F303-V401 HydrophobicContact CE1-CG1 4.04Å; F303-V401 HydrophobicContact CE1-CG2 3.61Å; F303-V401 HydrophobicContact CE2-CB 4.49Å; F303-V401 HydrophobicContact CE2-CG1 4.07Å; F303-V401 HydrophobicContact CG-CG1 4.48Å; F303-V401 HydrophobicContact CZ-CB 3.87Å; F303-V401 HydrophobicContact CZ-CG1 3.92Å; F303-V401 HydrophobicContact CZ-CG2 4.08Å; I306-V401 HydrophobicContact CD1-CB 4.44Å; I306-V401 HydrophobicContact CD1-CG1 3.95Å; I306-V401 HydrophobicContact CD1-CG2 3.6Å; F364-V401 HydrophobicContact CD1-CG1 3.93Å; F364-V401 HydrophobicContact CE1-CG1 4.01Å; L397-V401 HydrophobicContact CD1-CG2 4.32Å; L397-V401 WeakPolarHBondContact O-CG2 3.42Å; L397-V401 PolarHBondContact O-N 2.95Å; G398-V401 PolarHBondContact O-N 3.27Å; V401-A404 WeakPolarHBondContact O-CB 3.32Å; V401-A404 PolarHBondContact O-N 2.96Å; V401-F405 PolarHBondContact O-N 2.92Å; V401-F527 HydrophobicContact CG2-CE2 4.37Å
402	A	94.5	Very high	91.2	Very high	8 Å²	8	10.1 Å²	10.1	7%	0.066	5%	0.054	C	C	.	.	H	α-helix	trans	-62.7	-41.3	172.7	0	0	0	0	0	112.3	F364 G398 K399 A400 A404 F405 N406	F364-A402 HydrophobicContact CB-CB 3.73Å; F364-A402 HydrophobicContact CD2-CB 4.11Å; F364-A402 HydrophobicContact CG-CB 3.99Å; G398-A402 WeakPolarHBondContact O-CB 3.29Å; G398-A402 PolarHBondContact O-N 3.35Å; K399-A402 WeakPolarHBondContact O-CB 3.33Å; K399-A402 PolarHBondContact O-N 3.08Å; A400-A402 VanDerWaalsContact C-N 3.34Å; A402-A404 VanDerWaalsContact C-N 3.31Å; A402-A404 PolarHBondContact O-N 2.86Å; A402-F405 PolarHBondContact O-N 3.18Å; A402-N406 VanDerWaalsContact O-CB 3.26Å; A402-N406 WeakPolarHBondContact O-CB 3.31Å; A402-N406 PolarHBondContact O-N 3Å; A402-N406 PolarHBondContact O-ND2 3.26Å; A402-N406 VanDerWaalsContact O-ND2 3.12Å
403	L	93.1	Very high	90.7	Very high	20 Å²	20	15.7 Å²	15.7	11%	0.105	8%	0.078	C	C	.	.	H	α-helix	trans	-56.1	-47.7	175.5	-70.6	172.1	0	0	0	111	K399 A400 L434 Y521 F524	K399-L403 WeakPolarHBondContact O-CG 3.45Å; K399-L403 PolarHBondContact O-N 3.44Å; A400-L403 WeakPolarHBondContact O-CB 3.43Å; A400-L403 PolarHBondContact O-N 3.03Å; L403-L434 HydrophobicContact CD2-CD1 3.59Å; L403-L434 HydrophobicContact CD2-CD2 4.16Å; L403-L434 HydrophobicContact CD2-CG 4.47Å; L403-Y521 HydrophobicContact CD1-CD1 4.12Å; L403-Y521 HydrophobicContact CD1-CD2 4.04Å; L403-Y521 HydrophobicContact CD1-CE1 4.08Å; L403-Y521 HydrophobicContact CD1-CE2 3.97Å; L403-Y521 HydrophobicContact CD1-CG 4.11Å; L403-Y521 HydrophobicContact CD2-CE1 4.35Å; L403-Y521 HydrophobicContact CD2-CE2 4.34Å; L403-F524 HydrophobicContact CB-CD1 4.32Å; L403-F524 HydrophobicContact CB-CD2 4.28Å; L403-F524 HydrophobicContact CB-CG 4.18Å; L403-F524 HydrophobicContact CD1-CB 4.15Å; L403-F524 HydrophobicContact CD1-CD1 4.38Å; L403-F524 HydrophobicContact CD1-CG 4.34Å
404	A	90.1	Very high	90.1	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-60.1	-53.7	176	0	0	0	0	0	112.7	Y302 A400 V401 A402 N406 S407 N410 F524 I544	Y302-A404 HydrophobicContact CE1-CB 4.48Å; A400-A404 PolarHBondContact O-N 2.74Å; V401-A404 WeakPolarHBondContact O-CB 3.32Å; V401-A404 PolarHBondContact O-N 2.96Å; A402-A404 VanDerWaalsContact C-N 3.31Å; A402-A404 PolarHBondContact O-N 2.86Å; A404-N406 PolarHBondContact O-N 3.3Å; A404-S407 PolarHBondContact O-N 2.93Å; A404-S407 PolarHBondContact O-OG 3.42Å; A404-N410 PolarHBondContact O-ND2 3.09Å; A404-F524 HydrophobicContact CB-CD2 4.11Å; A404-F524 HydrophobicContact CB-CE2 3.64Å; A404-I544 HydrophobicContact CB-CD1 3.27Å; A404-I544 HydrophobicContact CB-CG1 3.45Å; A404-I544 VanDerWaalsContact CB-CG1 3.45Å; A404-I544 HydrophobicContact CB-CG2 4.35Å
405	F	90.8	Very high	89.7	Confident	6 Å²	6	18.7 Å²	18.7	3%	0.026	11%	0.112	C	C	.	.	H	α-helix	trans	-57.4	-38	-176.1	-176.7	-92.3	0	0	0	111.8	Y302 L360 F364 V401 A402 S407 N410 L411 L416	Y302-F405 HydrophobicContact CD1-CB 4.12Å; Y302-F405 AromaticContact CD1-CD2 3.87Å; Y302-F405 HydrophobicContact CD1-CD2 3.87Å; Y302-F405 HydrophobicContact CD1-CG 4.45Å; Y302-F405 AromaticContact CD2-CD2 3.88Å; Y302-F405 HydrophobicContact CD2-CD2 3.88Å; Y302-F405 HydrophobicContact CD2-CE2 4.39Å; Y302-F405 HydrophobicContact CE1-CB 3.83Å; Y302-F405 HydrophobicContact CE1-CD2 4.11Å; Y302-F405 HydrophobicContact CE1-CG 4.49Å; Y302-F405 HydrophobicContact CE2-CD2 4.12Å; Y302-F405 AromaticContact CG-CD2 3.76Å; Y302-F405 HydrophobicContact CG-CD2 3.76Å; Y302-F405 HydrophobicContact CG-CE2 4.4Å; L360-F405 HydrophobicContact CD2-CD1 4.26Å; L360-F405 HydrophobicContact CD2-CE1 3.81Å; F364-F405 HydrophobicContact CE1-CB 4.28Å; F364-F405 HydrophobicContact CE1-CD2 4.48Å; F364-F405 HydrophobicContact CE1-CG 4.35Å; F364-F405 HydrophobicContact CE2-CB 3.96Å; F364-F405 AromaticContact CE2-CD1 3.58Å; F364-F405 HydrophobicContact CE2-CD1 3.58Å; F364-F405 HydrophobicContact CE2-CD2 4.32Å; F364-F405 HydrophobicContact CE2-CE1 4.16Å; F364-F405 AromaticContact CE2-CG 3.68Å; F364-F405 HydrophobicContact CE2-CG 3.68Å; F364-F405 HydrophobicContact CZ-CB 3.65Å; F364-F405 AromaticContact CZ-CD1 3.74Å; F364-F405 HydrophobicContact CZ-CD1 3.74Å; F364-F405 AromaticContact CZ-CD2 3.61Å; F364-F405 HydrophobicContact CZ-CD2 3.61Å; F364-F405 HydrophobicContact CZ-CE1 4.3Å; F364-F405 HydrophobicContact CZ-CE2 4.16Å; F364-F405 AromaticContact CZ-CG 3.36Å; F364-F405 HydrophobicContact CZ-CG 3.36Å; F364-F405 HydrophobicContact CZ-CZ 4.47Å; V401-F405 PolarHBondContact O-N 2.92Å; A402-F405 PolarHBondContact O-N 3.18Å; F405-S407 VanDerWaalsContact C-N 3.29Å; F405-S407 PolarHBondContact O-N 3.13Å; F405-N410 WeakPolarHBondContact O-CB 3.28Å; F405-L411 HydrophobicContact CD1-CD2 4.07Å; F405-L411 HydrophobicContact CE1-CD2 3.76Å; F405-L411 WeakPolarHBondContact O-CD2 3.31Å; F405-L416 HydrophobicContact CE1-CD1 3.67Å; F405-L416 HydrophobicContact CZ-CD1 3.59Å
406	N	89	Confident	89.1	Confident	20 Å²	20	19.1 Å²	19.1	11%	0.107	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-3.2	-174.4	-68.9	-23.2	0	0	0	114.8	M357 N361 A402 A404 L411 H430	M357-N406 HydrophobicContact CE-CB 4.09Å; M357-N406 WeakPolarHBondContact CE-OD1 3.25Å; N361-N406 PolarHBondContact OD1-ND2 3.37Å; A402-N406 VanDerWaalsContact O-CB 3.26Å; A402-N406 WeakPolarHBondContact O-CB 3.31Å; A402-N406 PolarHBondContact O-N 3Å; A402-N406 PolarHBondContact O-ND2 3.26Å; A402-N406 VanDerWaalsContact O-ND2 3.12Å; A404-N406 PolarHBondContact O-N 3.3Å; N406-L411 WeakPolarHBondContact O-CD1 3.44Å; N406-H430 PolarHBondContact O-CE1 2.77Å; N406-H430 PolarHBondContact O-ND1 2.65Å
407	S	87.7	Confident	88.4	Confident	1 Å²	1	19.9 Å²	19.9	1%	0.007	12%	0.118	C	C	.	.	S	Bend	trans	-63.9	143.9	174.4	69.1	0	0	0	0	110.9	A404 F405 S409 N410 L411	A404-S407 PolarHBondContact O-N 2.93Å; A404-S407 PolarHBondContact O-OG 3.42Å; F405-S407 VanDerWaalsContact C-N 3.29Å; F405-S407 PolarHBondContact O-N 3.13Å; S407-S409 PolarHBondContact O-N 3.01Å; S407-N410 PolarHBondContact O-N 3Å; S407-N410 WeakPolarHBondContact OG-CB 3.05Å; S407-N410 PolarHBondContact OG-N 2.79Å; S407-N410 PolarHBondContact OG-ND2 3.38Å; S407-L411 WeakPolarHBondContact O-CG 3.47Å; S407-L411 PolarHBondContact O-N 3Å
408	P	85.9	Confident	87.8	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-53.9	-39.8	179.1	-28.1	35.6	0	0	0	112.9	N410 N412 I419 V422 L426 H430	P408-N410 VanDerWaalsContact C-N 3.32Å; P408-N410 PolarHBondContact O-N 3.27Å; P408-N412 VanDerWaalsContact O-CB 3.31Å; P408-N412 WeakPolarHBondContact O-CB 3.29Å; P408-N412 PolarHBondContact O-N 2.71Å; P408-I419 HydrophobicContact CB-CD1 4.1Å; P408-V422 HydrophobicContact CB-CG1 4.19Å; P408-V422 HydrophobicContact CB-CG2 4.2Å; P408-L426 HydrophobicContact CB-CD2 4.08Å; P408-L426 HydrophobicContact CB-CG 4.2Å; P408-L426 HydrophobicContact CG-CG 4.33Å; P408-H430 HydrophobicContact CG-CB 3.66Å
409	S	83.2	Confident	86.9	Confident	29 Å²	29	28.8 Å²	28.8	20%	0.203	17%	0.165	C	C	.	.	H	α-helix	trans	-58	-42.6	176.1	-63.3	0	0	0	0	112.2	S407 N412 K413 Q541	S407-S409 PolarHBondContact O-N 3.01Å; S409-N412 PolarHBondContact O-N 3.48Å; S409-K413 WeakPolarHBondContact O-CG 3.43Å; S409-K413 PolarHBondContact O-N 3.41Å; S409-Q541 PolarHBondContact OG-OE1 3.48Å
410	N	84.8	Confident	85.8	Confident	5 Å²	5	39.1 Å²	39.1	3%	0.027	20%	0.203	C	C	.	.	H	α-helix	trans	-81.8	-36.7	-176.4	-64.9	-6.1	0	0	0	112.4	A404 F405 S407 P408 N412 K413 S414 Y543	A404-N410 PolarHBondContact O-ND2 3.09Å; F405-N410 WeakPolarHBondContact O-CB 3.28Å; S407-N410 PolarHBondContact O-N 3Å; S407-N410 WeakPolarHBondContact OG-CB 3.05Å; S407-N410 PolarHBondContact OG-N 2.79Å; S407-N410 PolarHBondContact OG-ND2 3.38Å; P408-N410 VanDerWaalsContact C-N 3.32Å; P408-N410 PolarHBondContact O-N 3.27Å; N410-N412 PolarHBondContact O-N 2.86Å; N410-K413 PolarHBondContact O-N 3.34Å; N410-S414 VanDerWaalsContact O-CB 3.32Å; N410-S414 WeakPolarHBondContact O-CB 3.39Å; N410-S414 PolarHBondContact O-N 3.38Å; N410-S414 PolarHBondContact O-OG 3.17Å; N410-Y543 WeakPolarHBondContact OD1-CD2 3.15Å; N410-Y543 WeakPolarHBondContact OD1-CE2 3.15Å
411	L	86.5	Confident	85.1	Confident	3 Å²	3	44.2 Å²	44.2	2%	0.016	23%	0.234	C	C	.	.	H	α-helix	trans	-60.1	-36.9	170	-65.5	177.6	0	0	0	110.8	Y281 F405 N406 S407 S414 G415 L416 I417	Y281-L411 HydrophobicContact CD1-CD1 3.62Å; Y281-L411 HydrophobicContact CE1-CD1 3.27Å; F405-L411 HydrophobicContact CD1-CD2 4.07Å; F405-L411 HydrophobicContact CE1-CD2 3.76Å; F405-L411 WeakPolarHBondContact O-CD2 3.31Å; N406-L411 WeakPolarHBondContact O-CD1 3.44Å; S407-L411 WeakPolarHBondContact O-CG 3.47Å; S407-L411 PolarHBondContact O-N 3Å; L411-S414 PolarHBondContact O-OG 2.98Å; L411-G415 PolarHBondContact O-N 2.89Å; L411-L416 HydrophobicContact CB-CB 4.45Å; L411-L416 HydrophobicContact CD2-CB 4.34Å; L411-L416 HydrophobicContact CD2-CD1 3.63Å; L411-L416 WeakPolarHBondContact O-CB 3.39Å; L411-L416 PolarHBondContact O-N 3.35Å; L411-I417 HydrophobicContact CB-CD1 3.88Å; L411-I417 HydrophobicContact CB-CG1 3.79Å; L411-I417 HydrophobicContact CB-CG2 4.5Å; L411-I417 PolarHBondContact O-N 2.63Å
412	N	84.5	Confident	84.5	Confident	55 Å²	55	46.2 Å²	46.2	29%	0.294	25%	0.246	S	C	.	.	H	α-helix	trans	-68.3	-49	174.6	-165.2	53.5	0	0	0	112.1	P408 S409 N410 S414 G415 I417 I419	P408-N412 VanDerWaalsContact O-CB 3.31Å; P408-N412 WeakPolarHBondContact O-CB 3.29Å; P408-N412 PolarHBondContact O-N 2.71Å; S409-N412 PolarHBondContact O-N 3.48Å; N410-N412 PolarHBondContact O-N 2.86Å; N412-S414 VanDerWaalsContact C-N 3.28Å; N412-S414 PolarHBondContact O-N 3.25Å; N412-G415 WeakPolarHBondContact O-CA 3.45Å; N412-G415 PolarHBondContact O-N 3.44Å; N412-I417 HydrophobicContact CB-CG1 4.04Å; N412-I417 PolarHBondContact OD1-O 3.15Å; N412-I417 VanDerWaalsContact OD1-O 3.1Å; N412-I419 HydrophobicContact CB-CD1 4.04Å; N412-I419 HydrophobicContact CB-CG1 3.66Å; N412-I419 PolarHBondContact ND2-O 3.22Å; N412-I419 WeakPolarHBondContact OD1-CG1 3.24Å; N412-I419 PolarHBondContact OD1-N 3.39Å; N412-I419 PolarHBondContact OD1-O 3.14Å
413	K	81.6	Confident	84.1	Confident	117 Å²	117	49.7 Å²	49.7	51%	0.509	26%	0.264	S	S	.	.	H	α-helix	trans	-61.3	-35.5	177.8	-76.8	-176.9	178.4	-179.2	0	112.8	S409 N410 G415 Y543	S409-K413 WeakPolarHBondContact O-CG 3.43Å; S409-K413 PolarHBondContact O-N 3.41Å; N410-K413 PolarHBondContact O-N 3.34Å; K413-G415 PolarHBondContact O-N 3.41Å; K413-Y543 HydrophobicContact CD-CD2 4.29Å; K413-Y543 HydrophobicContact CD-CE1 4.33Å; K413-Y543 HydrophobicContact CD-CE2 3.58Å
414	S	80.6	Confident	83.8	Confident	38 Å²	38	54.5 Å²	54.5	27%	0.266	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-9.6	174.5	75.2	0	0	0	0	112.9	K288 N410 L411 N412 L416	K288-S414 PolarHBondContact NZ-O 3.24Å; N410-S414 VanDerWaalsContact O-CB 3.32Å; N410-S414 WeakPolarHBondContact O-CB 3.39Å; N410-S414 PolarHBondContact O-N 3.38Å; N410-S414 PolarHBondContact O-OG 3.17Å; L411-S414 PolarHBondContact O-OG 2.98Å; N412-S414 VanDerWaalsContact C-N 3.28Å; N412-S414 PolarHBondContact O-N 3.25Å; S414-L416 VanDerWaalsContact C-N 3.28Å; S414-L416 PolarHBondContact O-N 3.47Å; S414-L416 WeakPolarHBondContact OG-CG 3.43Å; S414-L416 PolarHBondContact OG-N 3.13Å
415	G	82.2	Confident	83.7	Confident	54 Å²	54	58.8 Å²	58.8	56%	0.557	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.9	15.2	-175.3	0	0	0	0	0	114.1	L411 N412 K413	L411-G415 PolarHBondContact O-N 2.89Å; N412-G415 WeakPolarHBondContact O-CA 3.45Å; N412-G415 PolarHBondContact O-N 3.44Å; K413-G415 PolarHBondContact O-N 3.41Å
416	L	82.7	Confident	83.5	Confident	11 Å²	11	59 Å²	59	6%	0.058	31%	0.311	C	S	.	.	S	Bend	trans	-74.3	-37.9	174.4	-83.4	170.5	0	0	0	112	K284 L285 K288 F289 F405 L411 S414	K284-L416 WeakPolarHBondContact CB-O 3.29Å; L285-L416 HydrophobicContact CD2-CD1 4.06Å; L285-L416 HydrophobicContact CD2-CD2 3.57Å; L285-L416 HydrophobicContact CG-CD2 4.33Å; K288-L416 HydrophobicContact CB-CD2 3.97Å; K288-L416 HydrophobicContact CD-CD2 3.32Å; K288-L416 HydrophobicContact CD-CG 3.74Å; K288-L416 HydrophobicContact CG-CD2 4.26Å; F289-L416 HydrophobicContact CE2-CD2 4.05Å; F405-L416 HydrophobicContact CE1-CD1 3.67Å; F405-L416 HydrophobicContact CZ-CD1 3.59Å; L411-L416 HydrophobicContact CB-CB 4.45Å; L411-L416 HydrophobicContact CD2-CB 4.34Å; L411-L416 HydrophobicContact CD2-CD1 3.63Å; L411-L416 WeakPolarHBondContact O-CB 3.39Å; L411-L416 PolarHBondContact O-N 3.35Å; S414-L416 VanDerWaalsContact C-N 3.28Å; S414-L416 PolarHBondContact O-N 3.47Å; S414-L416 WeakPolarHBondContact OG-CG 3.43Å; S414-L416 PolarHBondContact OG-N 3.13Å
417	I	81.1	Confident	83.4	Confident	16 Å²	16	60.5 Å²	60.5	8%	0.082	32%	0.315	C	S	.	.	S	Bend	trans	-119.3	159.8	170.5	63.4	174.8	0	0	0	109.3	Y281 K284 L411 N412 I419	Y281-I417 HydrophobicContact CD1-CG2 4.1Å; Y281-I417 HydrophobicContact CE1-CG2 3.99Å; K284-I417 HydrophobicContact CG-CG2 4.4Å; L411-I417 HydrophobicContact CB-CD1 3.88Å; L411-I417 HydrophobicContact CB-CG1 3.79Å; L411-I417 HydrophobicContact CB-CG2 4.5Å; L411-I417 PolarHBondContact O-N 2.63Å; N412-I417 HydrophobicContact CB-CG1 4.04Å; N412-I417 PolarHBondContact OD1-O 3.15Å; N412-I417 VanDerWaalsContact OD1-O 3.1Å; I417-I419 HydrophobicContact CD1-CD1 3.74Å; I417-I419 HydrophobicContact CD1-CG1 4.01Å; I417-I419 HydrophobicContact CD1-CG2 4.06Å; I417-I419 HydrophobicContact CG1-CG1 4.29Å; I417-I419 HydrophobicContact CG1-CG2 4.47Å
418	N	82.1	Confident	83.5	Confident	157 Å²	157	66.4 Å²	66.4	84%	0.84	34%	0.341	S	S	*	.			trans	-123.8	92.3	174.8	-174.7	2.3	0	0	0	108.3
419	I	78.4	Confident	83.6	Confident	32 Å²	32	66.8 Å²	66.8	16%	0.164	34%	0.342	C	S	.	.			trans	-117.5	137.6	178.5	55.9	170.2	0	0	0	109	P408 N412 I417 V422 L426	P408-I419 HydrophobicContact CB-CD1 4.1Å; N412-I419 HydrophobicContact CB-CD1 4.04Å; N412-I419 HydrophobicContact CB-CG1 3.66Å; N412-I419 PolarHBondContact ND2-O 3.22Å; N412-I419 WeakPolarHBondContact OD1-CG1 3.24Å; N412-I419 PolarHBondContact OD1-N 3.39Å; N412-I419 PolarHBondContact OD1-O 3.14Å; I417-I419 HydrophobicContact CD1-CD1 3.74Å; I417-I419 HydrophobicContact CD1-CG1 4.01Å; I417-I419 HydrophobicContact CD1-CG2 4.06Å; I417-I419 HydrophobicContact CG1-CG1 4.29Å; I417-I419 HydrophobicContact CG1-CG2 4.47Å; I419-V422 HydrophobicContact CD1-CG2 3.64Å; I419-L426 HydrophobicContact CB-CD2 4.38Å; I419-L426 HydrophobicContact CD1-CD2 3.43Å; I419-L426 VanDerWaalsContact CD1-CD2 3.43Å; I419-L426 HydrophobicContact CG1-CD2 4.49Å; I419-L426 HydrophobicContact CG2-CD2 4.03Å
420	R	74.4	Confident	83.9	Confident	250 Å²	250	66 Å²	66	94%	0.943	34%	0.336	S	S	*	.	S	Bend	trans	-76.4	-42.6	177.5	-87.8	-175.3	169	178.7	-2.5	112.2
421	V	80.1	Confident	84.2	Confident	107 Å²	107	69.4 Å²	69.4	65%	0.648	35%	0.353	S	S	*	.			trans	-142.8	143.4	-177.3	179.6	0	0	0	0	107.4	D423	V421-D423 PolarHBondContact O-N 2.84Å
422	V	81	Confident	84.5	Confident	41 Å²	41	70 Å²	70	25%	0.248	36%	0.355	C	S	.	.			trans	-86.8	97	166.6	-173.4	0	0	0	0	107.3	P408 I419 L426 R427	P408-V422 HydrophobicContact CB-CG1 4.19Å; P408-V422 HydrophobicContact CB-CG2 4.2Å; I419-V422 HydrophobicContact CD1-CG2 3.64Å; V422-L426 HydrophobicContact CG1-CD2 4.24Å; V422-L426 HydrophobicContact CG1-CG 4.35Å; V422-R427 HydrophobicContact CG1-CG 3.59Å
423	D	86.1	Confident	84.7	Confident	82 Å²	82	68.5 Å²	68.5	44%	0.439	35%	0.346	S	S	.	.			trans	-86.5	173.3	176.1	61.2	21.3	0	0	0	112	V421 E425 L426 R427	V421-D423 PolarHBondContact O-N 2.84Å; D423-E425 VanDerWaalsContact C-N 3.25Å; D423-E425 PolarHBondContact O-N 3.26Å; D423-E425 PolarHBondContact OD1-N 3.18Å; D423-L426 PolarHBondContact O-N 3Å; D423-L426 VanDerWaalsContact OD1-CB 3.29Å; D423-L426 WeakPolarHBondContact OD1-CB 3.47Å; D423-L426 PolarHBondContact OD1-N 2.82Å; D423-R427 VanDerWaalsContact O-CG 3.31Å; D423-R427 WeakPolarHBondContact O-CG 3.37Å; D423-R427 PolarHBondContact O-N 2.85Å
424	D	87.5	Confident	85.2	Confident	120 Å²	120	64.6 Å²	64.6	64%	0.642	33%	0.331	S	S	*	.	H	α-helix	trans	-65.2	-29	-177	-70.8	-32.2	0	0	0	112.9	R427 F428	D424-R427 PolarHBondContact O-N 3.28Å; D424-R427 IonicContact OD1-NH1 2.85Å; D424-R427 PolarHBondContact OD1-NH1 3.31Å; D424-R427 VanDerWaalsContact OD1-NH1 3.12Å; D424-F428 WeakPolarHBondContact O-CB 3.4Å; D424-F428 PolarHBondContact O-N 3.35Å
425	E	87.3	Confident	85.9	Confident	91 Å²	91	63.9 Å²	63.9	43%	0.425	33%	0.327	S	S	.	.	H	α-helix	trans	-66.4	-48	175.2	-162.8	-177.2	176.7	0	0	110.3	L277 D423 R427 F428 E429	L277-E425 HydrophobicContact CD1-CB 4.24Å; L277-E425 HydrophobicContact CD1-CG 3.74Å; D423-E425 VanDerWaalsContact C-N 3.25Å; D423-E425 PolarHBondContact O-N 3.26Å; D423-E425 PolarHBondContact OD1-N 3.18Å; E425-R427 VanDerWaalsContact C-N 3.31Å; E425-R427 PolarHBondContact O-N 3.14Å; E425-F428 PolarHBondContact O-N 3.27Å; E425-E429 WeakPolarHBondContact O-CB 3.4Å; E425-E429 VanDerWaalsContact O-CG 3.25Å; E425-E429 WeakPolarHBondContact O-CG 3.32Å; E425-E429 PolarHBondContact O-N 3.26Å
426	L	85.9	Confident	86.4	Confident	9 Å²	9	61.3 Å²	61.3	5%	0.047	30%	0.301	C	S	.	.	H	α-helix	trans	-62.4	-38	176.3	-178.5	55.6	0	0	0	112.7	L279 P408 I419 V422 D423 E429 H430	L279-L426 HydrophobicContact CD1-CD1 3.15Å; P408-L426 HydrophobicContact CB-CD2 4.08Å; P408-L426 HydrophobicContact CB-CG 4.2Å; P408-L426 HydrophobicContact CG-CG 4.33Å; I419-L426 HydrophobicContact CB-CD2 4.38Å; I419-L426 HydrophobicContact CD1-CD2 3.43Å; I419-L426 VanDerWaalsContact CD1-CD2 3.43Å; I419-L426 HydrophobicContact CG1-CD2 4.49Å; I419-L426 HydrophobicContact CG2-CD2 4.03Å; V422-L426 HydrophobicContact CG1-CD2 4.24Å; V422-L426 HydrophobicContact CG1-CG 4.35Å; D423-L426 PolarHBondContact O-N 3Å; D423-L426 VanDerWaalsContact OD1-CB 3.29Å; D423-L426 WeakPolarHBondContact OD1-CB 3.47Å; D423-L426 PolarHBondContact OD1-N 2.82Å; L426-E429 PolarHBondContact O-N 3.45Å; L426-H430 WeakPolarHBondContact O-CB 3.36Å; L426-H430 PolarHBondContact O-N 3.24Å
427	R	88.4	Confident	86.9	Confident	52 Å²	52	62.6 Å²	62.6	20%	0.196	31%	0.307	C	S	.	.	H	α-helix	trans	-64.1	-46.1	175.5	-69.1	176.5	62.6	-141.3	-4.4	111.5	V422 D423 D424 E425 E429 H430 L431 N538 D540	V422-R427 HydrophobicContact CG1-CG 3.59Å; D423-R427 VanDerWaalsContact O-CG 3.31Å; D423-R427 WeakPolarHBondContact O-CG 3.37Å; D423-R427 PolarHBondContact O-N 2.85Å; D424-R427 PolarHBondContact O-N 3.28Å; D424-R427 IonicContact OD1-NH1 2.85Å; D424-R427 PolarHBondContact OD1-NH1 3.31Å; D424-R427 VanDerWaalsContact OD1-NH1 3.12Å; E425-R427 VanDerWaalsContact C-N 3.31Å; E425-R427 PolarHBondContact O-N 3.14Å; R427-E429 VanDerWaalsContact C-N 3.33Å; R427-E429 PolarHBondContact O-N 3.4Å; R427-H430 PolarHBondContact O-N 2.8Å; R427-L431 WeakPolarHBondContact O-CB 3.36Å; R427-L431 WeakPolarHBondContact O-CG 3.34Å; R427-L431 PolarHBondContact O-N 3.06Å; R427-N538 PolarHBondContact NH1-ND2 3.37Å; R427-N538 PolarHBondContact NH2-ND2 2.97Å; R427-D540 IonicContact CZ-OD1 3.12Å; R427-D540 IonicContact CZ-OD2 3.77Å; R427-D540 IonicContact NE-OD1 3.68Å; R427-D540 IonicContact NE-OD2 3.7Å; R427-D540 PolarHBondContact NE-OD2 2.88Å; R427-D540 VanDerWaalsContact NE-OD2 3.1Å; R427-D540 IonicContact NH2-OD1 3.86Å; R427-D540 PolarHBondContact NH2-OD1 3.21Å; R427-D540 IonicContact NH2-OD2 2.92Å
428	F	89.6	Confident	87.6	Confident	125 Å²	125	62.4 Å²	62.4	55%	0.548	31%	0.307	S	S	.	.	H	α-helix	trans	-59.2	-46.6	176	177.2	-94.4	0	0	0	111.2	D424 E425 H430 L431 Y432	D424-F428 WeakPolarHBondContact O-CB 3.4Å; D424-F428 PolarHBondContact O-N 3.35Å; E425-F428 PolarHBondContact O-N 3.27Å; F428-H430 VanDerWaalsContact C-N 3.34Å; F428-H430 PolarHBondContact O-N 2.88Å; F428-L431 PolarHBondContact O-N 3.36Å; F428-Y432 WeakPolarHBondContact O-CB 3.28Å; F428-Y432 PolarHBondContact O-N 2.96Å
429	E	88.1	Confident	88.3	Confident	8 Å²	8	55.7 Å²	55.7	4%	0.037	27%	0.271	C	S	.	.	H	α-helix	trans	-61.5	-40.8	178.9	-73.4	-69.7	172.7	0	0	112.8	Y270 S275 N276 L277 E425 L426 R427 K433	Y270-E429 WeakPolarHBondContact CE2-OE2 3.43Å; Y270-E429 PolarHBondContact OH-OE2 3.2Å; S275-E429 WeakPolarHBondContact CB-OE2 3.37Å; S275-E429 PolarHBondContact OG-OE1 3Å; S275-E429 VanDerWaalsContact OG-OE1 3.05Å; S275-E429 PolarHBondContact OG-OE2 3.41Å; N276-E429 PolarHBondContact N-OE1 2.71Å; L277-E429 HydrophobicContact CB-CG 4.17Å; L277-E429 HydrophobicContact CD1-CG 3.85Å; L277-E429 HydrophobicContact CG-CG 4.47Å; E425-E429 WeakPolarHBondContact O-CB 3.4Å; E425-E429 VanDerWaalsContact O-CG 3.25Å; E425-E429 WeakPolarHBondContact O-CG 3.32Å; E425-E429 PolarHBondContact O-N 3.26Å; L426-E429 PolarHBondContact O-N 3.45Å; R427-E429 VanDerWaalsContact C-N 3.33Å; R427-E429 PolarHBondContact O-N 3.4Å; E429-K433 WeakPolarHBondContact O-CB 3.49Å; E429-K433 PolarHBondContact O-N 2.81Å
430	H	88.5	Confident	89.1	Confident	13 Å²	13	54.2 Å²	54.2	6%	0.06	26%	0.263	C	S	.	.	H	α-helix	trans	-62.4	-49.7	173	173	69.1	0	0	0	111.8	N406 P408 L426 R427 F428 Y432 K433 L434	N406-H430 PolarHBondContact O-CE1 2.77Å; N406-H430 PolarHBondContact O-ND1 2.65Å; P408-H430 HydrophobicContact CG-CB 3.66Å; L426-H430 WeakPolarHBondContact O-CB 3.36Å; L426-H430 PolarHBondContact O-N 3.24Å; R427-H430 PolarHBondContact O-N 2.8Å; F428-H430 VanDerWaalsContact C-N 3.34Å; F428-H430 PolarHBondContact O-N 2.88Å; H430-Y432 VanDerWaalsContact C-N 3.35Å; H430-Y432 PolarHBondContact O-N 2.79Å; H430-K433 PolarHBondContact O-N 3.3Å; H430-L434 WeakPolarHBondContact O-CB 3.32Å; H430-L434 PolarHBondContact O-N 3.21Å
431	L	92	Very high	90.1	Very high	76 Å²	76	43.3 Å²	43.3	40%	0.398	23%	0.225	S	C	.	.	H	α-helix	trans	-61.9	-41.4	179.2	-76.6	172	0	0	0	112.1	R427 F428 L434 A435 D540	R427-L431 WeakPolarHBondContact O-CB 3.36Å; R427-L431 WeakPolarHBondContact O-CG 3.34Å; R427-L431 PolarHBondContact O-N 3.06Å; F428-L431 PolarHBondContact O-N 3.36Å; L431-L434 PolarHBondContact O-N 3.12Å; L431-A435 WeakPolarHBondContact O-CB 3.33Å; L431-A435 PolarHBondContact O-N 2.84Å; L431-D540 HydrophobicContact CD1-CB 4.38Å; L431-D540 HydrophobicContact CD2-CB 3.68Å; L431-D540 HydrophobicContact CG-CB 4.12Å
432	Y	91.7	Very high	91	Very high	16 Å²	16	38.7 Å²	38.7	6%	0.063	20%	0.197	C	C	.	.	H	α-helix	trans	-63.4	-46.8	177.2	176	-126.6	0	0	0	111.4	L236 Y239 Y270 G274 F428 H430 L434 A435 L436	L236-Y432 HydrophobicContact CD1-CD2 4.21Å; L236-Y432 HydrophobicContact CD1-CE2 3.81Å; Y239-Y432 AromaticContact CD1-CE2 3.85Å; Y239-Y432 HydrophobicContact CD1-CE2 3.85Å; Y239-Y432 AromaticContact CD1-CZ 3.97Å; Y239-Y432 HydrophobicContact CE1-CE1 4.24Å; Y239-Y432 AromaticContact CE1-CE2 3.78Å; Y239-Y432 HydrophobicContact CE1-CE2 3.78Å; Y239-Y432 AromaticContact CE1-CZ 3.52Å; Y239-Y432 VanDerWaalsContact CE1-OH 3.31Å; Y239-Y432 WeakPolarHBondContact CE1-OH 3.37Å; Y270-Y432 AromaticContact CD2-CD1 3.84Å; Y270-Y432 HydrophobicContact CD2-CD1 3.84Å; Y270-Y432 HydrophobicContact CD2-CE1 4.11Å; Y270-Y432 HydrophobicContact CE2-CD1 4.15Å; G274-Y432 VanDerWaalsContact O-CE1 3.29Å; G274-Y432 WeakPolarHBondContact O-CE1 3.26Å; F428-Y432 WeakPolarHBondContact O-CB 3.28Å; F428-Y432 PolarHBondContact O-N 2.96Å; H430-Y432 VanDerWaalsContact C-N 3.35Å; H430-Y432 PolarHBondContact O-N 2.79Å; Y432-L434 VanDerWaalsContact C-N 3.32Å; Y432-L434 PolarHBondContact O-N 3.43Å; Y432-A435 PolarHBondContact O-N 3.1Å; Y432-L436 HydrophobicContact CD1-CD1 4.38Å; Y432-L436 HydrophobicContact CD2-CD1 4.49Å; Y432-L436 HydrophobicContact CD2-CG 4.31Å; Y432-L436 HydrophobicContact CE1-CD1 3.81Å; Y432-L436 HydrophobicContact CE2-CD1 3.94Å; Y432-L436 HydrophobicContact CE2-CD2 4.01Å; Y432-L436 HydrophobicContact CE2-CG 3.82Å; Y432-L436 WeakPolarHBondContact O-CG 3.19Å; Y432-L436 PolarHBondContact O-N 2.9Å
433	K	90.4	Very high	91.8	Very high	24 Å²	24	36.7 Å²	36.7	10%	0.104	19%	0.185	C	C	.	.	H	α-helix	trans	-58.4	-45.4	173.9	-177.8	-178.3	170.2	-173.4	0	111.4	Y270 Y281 E429 H430 A435 L436 I437	Y270-K433 HydrophobicContact CD1-CD 4.33Å; Y270-K433 HydrophobicContact CD1-CG 4.49Å; Y270-K433 HydrophobicContact CD2-CB 3.82Å; Y270-K433 HydrophobicContact CD2-CG 4.38Å; Y270-K433 HydrophobicContact CE1-CD 4.49Å; Y270-K433 HydrophobicContact CE2-CB 4Å; Y270-K433 HydrophobicContact CG-CB 4.18Å; Y270-K433 HydrophobicContact CG-CG 4.24Å; Y281-K433 HydrophobicContact CD2-CD 4.03Å; Y281-K433 HydrophobicContact CE2-CD 3.83Å; E429-K433 WeakPolarHBondContact O-CB 3.49Å; E429-K433 PolarHBondContact O-N 2.81Å; H430-K433 PolarHBondContact O-N 3.3Å; K433-A435 VanDerWaalsContact C-N 3.31Å; K433-A435 PolarHBondContact O-N 2.94Å; K433-L436 PolarHBondContact O-N 2.9Å; K433-I437 HydrophobicContact CG-CD1 4.16Å; K433-I437 WeakPolarHBondContact O-CG1 3.23Å; K433-I437 PolarHBondContact O-N 3.48Å
434	L	91.7	Very high	92.3	Very high	35 Å²	35	33.5 Å²	33.5	18%	0.183	17%	0.167	C	C	.	.	H	α-helix	trans	-64	-37.7	179.4	-177.5	60.9	0	0	0	112	L403 H430 L431 Y432 I437 T438	L403-L434 HydrophobicContact CD2-CD1 3.59Å; L403-L434 HydrophobicContact CD2-CD2 4.16Å; L403-L434 HydrophobicContact CD2-CG 4.47Å; H430-L434 WeakPolarHBondContact O-CB 3.32Å; H430-L434 PolarHBondContact O-N 3.21Å; L431-L434 PolarHBondContact O-N 3.12Å; Y432-L434 VanDerWaalsContact C-N 3.32Å; Y432-L434 PolarHBondContact O-N 3.43Å; L434-I437 PolarHBondContact O-N 2.85Å; L434-T438 WeakPolarHBondContact O-CB 3.18Å; L434-T438 PolarHBondContact O-N 3.48Å; L434-T438 PolarHBondContact O-OG1 3.1Å
435	A	94.5	Very high	92.8	Very high	23 Å²	23	27.9 Å²	27.9	19%	0.19	14%	0.137	C	C	.	.	H	α-helix	trans	-63.4	-44.9	176.3	0	0	0	0	0	111.6	L236 L431 Y432 K433 I437 T438 I439 P440	L236-A435 HydrophobicContact CD2-CB 4.2Å; L431-A435 WeakPolarHBondContact O-CB 3.33Å; L431-A435 PolarHBondContact O-N 2.84Å; Y432-A435 PolarHBondContact O-N 3.1Å; K433-A435 VanDerWaalsContact C-N 3.31Å; K433-A435 PolarHBondContact O-N 2.94Å; A435-I437 PolarHBondContact O-N 3.44Å; A435-T438 PolarHBondContact O-N 3.46Å; A435-I439 PolarHBondContact O-N 3.46Å; A435-P440 WeakPolarHBondContact O-CD 3.37Å
436	L	93.8	Very high	93.3	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-61.4	-28.3	176.1	-71.7	173.2	0	0	0	113.8	L236 V240 W266 I269 Y432 K433 P440	L236-L436 HydrophobicContact CD1-CD2 4.02Å; V240-L436 HydrophobicContact CG2-CD2 3.63Å; W266-L436 HydrophobicContact CB-CB 4.4Å; W266-L436 HydrophobicContact CB-CD2 3.96Å; W266-L436 HydrophobicContact CE3-CD2 4.47Å; W266-L436 PolarHBondContact N-O 3.29Å; I269-L436 HydrophobicContact CB-CD1 4.38Å; Y432-L436 HydrophobicContact CD1-CD1 4.38Å; Y432-L436 HydrophobicContact CD2-CD1 4.49Å; Y432-L436 HydrophobicContact CD2-CG 4.31Å; Y432-L436 HydrophobicContact CE1-CD1 3.81Å; Y432-L436 HydrophobicContact CE2-CD1 3.94Å; Y432-L436 HydrophobicContact CE2-CD2 4.01Å; Y432-L436 HydrophobicContact CE2-CG 3.82Å; Y432-L436 WeakPolarHBondContact O-CG 3.19Å; Y432-L436 PolarHBondContact O-N 2.9Å; K433-L436 PolarHBondContact O-N 2.9Å; L436-P440 WeakPolarHBondContact O-CG 3.41Å
437	I	92.2	Very high	93.9	Very high	38 Å²	38	23.6 Å²	23.6	20%	0.195	12%	0.117	C	C	.	.	H	α-helix	trans	-80.2	-52.9	175.6	-64.4	162.4	0	0	0	110.2	Q267 K433 L434 A435 S441	Q267-I437 HydrophobicContact CB-CD1 4.23Å; Q267-I437 HydrophobicContact CB-CG1 3.38Å; Q267-I437 HydrophobicContact CG-CG1 4.39Å; K433-I437 HydrophobicContact CG-CD1 4.16Å; K433-I437 WeakPolarHBondContact O-CG1 3.23Å; K433-I437 PolarHBondContact O-N 3.48Å; L434-I437 PolarHBondContact O-N 2.85Å; A435-I437 PolarHBondContact O-N 3.44Å; I437-S441 VanDerWaalsContact O-CB 3.23Å; I437-S441 WeakPolarHBondContact O-CB 3.3Å
438	T	95.1	Very high	94.4	Very high	12 Å²	12	21.2 Å²	21.2	7%	0.074	11%	0.108	C	C	.	.	H	α-helix	trans	-80.2	-54.8	-164.3	-54.6	0	0	0	0	112	L434 A435 S441 M442 T517 Y521	L434-T438 WeakPolarHBondContact O-CB 3.18Å; L434-T438 PolarHBondContact O-N 3.48Å; L434-T438 PolarHBondContact O-OG1 3.1Å; A435-T438 PolarHBondContact O-N 3.46Å; T438-S441 PolarHBondContact O-N 2.66Å; T438-M442 HydrophobicContact CG2-SD 4.06Å; T438-M442 WeakPolarHBondContact O-CG 3.42Å; T438-M442 PolarHBondContact O-N 2.88Å; T438-T517 HydrophobicContact CG2-CG2 3.68Å; T438-Y521 HydrophobicContact CG2-CE2 3.51Å; T438-Y521 WeakPolarHBondContact CG2-OH 3.48Å; T438-Y521 PolarHBondContact OG1-OH 3.44Å
439	I	96.4	Very high	94.8	Very high	15 Å²	15	15.5 Å²	15.5	8%	0.077	8%	0.083	C	C	.	.	H	α-helix	trans	-70.4	-48.4	-166.4	-51.5	-61	0	0	0	110.8	L229 L232 Y233 L236 A435 S441 M442 M443	L229-I439 HydrophobicContact CD2-CD1 4.47Å; L232-I439 HydrophobicContact CD2-CD1 4.1Å; L232-I439 HydrophobicContact CD2-CG1 4.21Å; Y233-I439 HydrophobicContact CD2-CG2 3.73Å; Y233-I439 HydrophobicContact CG-CG2 4.26Å; L236-I439 HydrophobicContact CD2-CB 4.23Å; A435-I439 PolarHBondContact O-N 3.46Å; I439-S441 VanDerWaalsContact C-N 3.31Å; I439-S441 PolarHBondContact O-N 3.15Å; I439-M442 PolarHBondContact O-N 3.02Å; I439-M443 HydrophobicContact CG2-CE 4.03Å; I439-M443 HydrophobicContact CG2-CG 4.44Å; I439-M443 WeakPolarHBondContact O-CG 3.45Å; I439-M443 PolarHBondContact O-N 3.09Å
440	P	96.6	Very high	95.2	Very high	1 Å²	1	15.9 Å²	15.9	1%	0.006	9%	0.086	C	C	.	.	H	α-helix	trans	-58.4	-40.5	175.4	-27	37.7	0	0	0	113.5	Y233 L236 E264 W266 A435 L436 M442 M443 H444	Y233-P440 HydrophobicContact CE2-CG 4.49Å; L236-P440 HydrophobicContact CD2-CG 4.08Å; E264-P440 CarbonylContact O-C 3.59Å; W266-P440 HydrophobicContact CB-CB 4.42Å; W266-P440 HydrophobicContact CB-CG 4.08Å; W266-P440 HydrophobicContact CD2-CB 3.52Å; W266-P440 HydrophobicContact CD2-CG 3.38Å; W266-P440 HydrophobicContact CE3-CB 4Å; W266-P440 HydrophobicContact CE3-CG 3.37Å; W266-P440 HydrophobicContact CG-CB 3.7Å; W266-P440 HydrophobicContact CG-CG 3.71Å; W266-P440 HydrophobicContact CH2-CG 4.43Å; W266-P440 HydrophobicContact CZ2-CB 4.11Å; W266-P440 HydrophobicContact CZ2-CG 4.43Å; W266-P440 HydrophobicContact CZ3-CB 4.49Å; W266-P440 HydrophobicContact CZ3-CG 3.94Å; A435-P440 WeakPolarHBondContact O-CD 3.37Å; L436-P440 WeakPolarHBondContact O-CG 3.41Å; P440-M442 PolarHBondContact O-N 3.28Å; P440-M443 PolarHBondContact O-N 3.46Å; P440-H444 VanDerWaalsContact O-CB 3.26Å; P440-H444 WeakPolarHBondContact O-CB 3.39Å; P440-H444 PolarHBondContact O-N 3.1Å
441	S	96	Very high	95.7	Very high	21 Å²	21	15.6 Å²	15.6	15%	0.147	9%	0.085	C	C	.	.	H	α-helix	trans	-63.4	-41.2	178	178.8	0	0	0	0	112.1	E264 I437 T438 I439 A445	E264-S441 WeakPolarHBondContact O-CA 3.42Å; E264-S441 WeakPolarHBondContact O-CB 3.28Å; E264-S441 PolarHBondContact O-N 3.25Å; E264-S441 VanDerWaalsContact O-N 3.17Å; I437-S441 VanDerWaalsContact O-CB 3.23Å; I437-S441 WeakPolarHBondContact O-CB 3.3Å; T438-S441 PolarHBondContact O-N 2.66Å; I439-S441 VanDerWaalsContact C-N 3.31Å; I439-S441 PolarHBondContact O-N 3.15Å; S441-A445 VanDerWaalsContact O-CB 3.28Å; S441-A445 WeakPolarHBondContact O-CB 3.4Å; S441-A445 PolarHBondContact O-N 3.32Å
442	M	97.5	Very high	95.9	Very high	10 Å²	10	12 Å²	12	5%	0.049	7%	0.066	C	C	.	.	H	α-helix	trans	-63.4	-47.2	173.3	-69.1	-176.5	76.4	0	0	111.6	L229 T438 I439 P440 H444 A445 F446 F514 T517 A518	L229-M442 HydrophobicContact CD1-CE 3.71Å; L229-M442 HydrophobicContact CD1-SD 4.09Å; T438-M442 HydrophobicContact CG2-SD 4.06Å; T438-M442 WeakPolarHBondContact O-CG 3.42Å; T438-M442 PolarHBondContact O-N 2.88Å; I439-M442 PolarHBondContact O-N 3.02Å; P440-M442 PolarHBondContact O-N 3.28Å; M442-H444 PolarHBondContact O-N 3.45Å; M442-A445 PolarHBondContact O-N 3Å; M442-F446 PolarHBondContact O-N 3.3Å; M442-F514 HydrophobicContact CB-CD2 4.06Å; M442-F514 HydrophobicContact CB-CE2 4.09Å; M442-F514 HydrophobicContact CE-CD1 3.98Å; M442-F514 HydrophobicContact CE-CD2 4.34Å; M442-F514 HydrophobicContact CE-CE1 3.76Å; M442-F514 HydrophobicContact CE-CE2 4.15Å; M442-F514 HydrophobicContact CE-CG 4.27Å; M442-F514 HydrophobicContact CE-CZ 3.86Å; M442-F514 WeakPolarHBondContact O-CD2 3.32Å; M442-T517 HydrophobicContact CG-CG2 3.72Å; M442-T517 HydrophobicContact SD-CG2 3.58Å; M442-T517 VanDerWaalsContact SD-CG2 3.58Å; M442-A518 HydrophobicContact CE-CB 4.13Å
443	M	97.6	Very high	96.2	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-62.8	-42.6	179.1	-62.2	-55.3	165.9	0	0	112.2	F226 L229 Y233 I439 P440 F446 A447 T482	F226-M443 HydrophobicContact CD2-SD 3.38Å; F226-M443 WeakPolarHBondContact CD2-SD 3.43Å; F226-M443 HydrophobicContact CE2-SD 3.4Å; F226-M443 WeakPolarHBondContact CE2-SD 3.15Å; L229-M443 HydrophobicContact CB-CE 3.22Å; L229-M443 HydrophobicContact CD1-CE 4.11Å; L229-M443 HydrophobicContact CG-CE 4.31Å; Y233-M443 HydrophobicContact CD1-CG 3.92Å; Y233-M443 HydrophobicContact CD2-CB 4.43Å; Y233-M443 HydrophobicContact CD2-CG 3.6Å; Y233-M443 HydrophobicContact CE1-CB 4.34Å; Y233-M443 HydrophobicContact CE1-CG 4.07Å; Y233-M443 HydrophobicContact CE2-CB 4.08Å; Y233-M443 HydrophobicContact CE2-CG 3.75Å; Y233-M443 HydrophobicContact CG-CE 4.15Å; Y233-M443 HydrophobicContact CG-CG 3.65Å; Y233-M443 HydrophobicContact CG-SD 4.4Å; I439-M443 HydrophobicContact CG2-CE 4.03Å; I439-M443 HydrophobicContact CG2-CG 4.44Å; I439-M443 WeakPolarHBondContact O-CG 3.45Å; I439-M443 PolarHBondContact O-N 3.09Å; P440-M443 PolarHBondContact O-N 3.46Å; M443-F446 PolarHBondContact O-N 3.33Å; M443-A447 WeakPolarHBondContact O-CB 3.42Å; M443-A447 PolarHBondContact O-N 2.95Å; M443-T482 HydrophobicContact CB-CG2 4.21Å
444	H	97.7	Very high	96.5	Very high	15 Å²	15	17.1 Å²	17.1	7%	0.069	8%	0.084	C	C	.	.	H	α-helix	trans	-60.4	-49.5	174.4	177.7	-95.2	0	0	0	111.1	P440 M442 F446 A447 V448	P440-H444 VanDerWaalsContact O-CB 3.26Å; P440-H444 WeakPolarHBondContact O-CB 3.39Å; P440-H444 PolarHBondContact O-N 3.1Å; M442-H444 PolarHBondContact O-N 3.45Å; H444-F446 VanDerWaalsContact C-N 3.3Å; H444-F446 PolarHBondContact O-N 2.82Å; H444-A447 PolarHBondContact O-N 2.9Å; H444-V448 WeakPolarHBondContact O-CB 3.45Å; H444-V448 VanDerWaalsContact O-CG2 3.24Å; H444-V448 WeakPolarHBondContact O-CG2 3.29Å; H444-V448 PolarHBondContact O-N 3.04Å
445	A	97.6	Very high	96.8	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.008	8%	0.077	C	C	.	.	H	α-helix	trans	-57.8	-42.5	177.4	0	0	0	0	0	112.2	S441 M442 D449 I510 E513 F514	S441-A445 VanDerWaalsContact O-CB 3.28Å; S441-A445 WeakPolarHBondContact O-CB 3.4Å; S441-A445 PolarHBondContact O-N 3.32Å; M442-A445 PolarHBondContact O-N 3Å; A445-D449 WeakPolarHBondContact O-CB 3.43Å; A445-D449 PolarHBondContact O-N 3.23Å; A445-I510 HydrophobicContact CB-CG2 3.99Å; A445-E513 HydrophobicContact CB-CB 3.89Å; A445-F514 HydrophobicContact CB-CB 4.38Å
446	F	98.2	Very high	96.9	Very high	10 Å²	10	14.7 Å²	14.7	4%	0.044	7%	0.068	C	C	.	.	H	α-helix	trans	-62.8	-48.2	176.1	176.8	-100.9	0	0	0	112.6	A222 N223 F226 M442 M443 H444 D449 T450 Y481 F514	A222-F446 HydrophobicContact CB-CD2 4.03Å; A222-F446 HydrophobicContact CB-CE2 4.25Å; N223-F446 HydrophobicContact CB-CE2 4.18Å; N223-F446 HydrophobicContact CB-CZ 4.33Å; F226-F446 HydrophobicContact CB-CD1 4.07Å; F226-F446 HydrophobicContact CB-CD2 4.13Å; F226-F446 HydrophobicContact CB-CE1 3.95Å; F226-F446 HydrophobicContact CB-CE2 4.04Å; F226-F446 HydrophobicContact CB-CG 4.15Å; F226-F446 HydrophobicContact CB-CZ 3.93Å; F226-F446 HydrophobicContact CD1-CD1 4.47Å; F226-F446 AromaticContact CD1-CE1 3.96Å; F226-F446 HydrophobicContact CD1-CE1 3.96Å; F226-F446 HydrophobicContact CD1-CZ 4.4Å; F226-F446 HydrophobicContact CD2-CB 4.36Å; F226-F446 AromaticContact CD2-CD1 3.27Å; F226-F446 HydrophobicContact CD2-CD1 3.27Å; F226-F446 AromaticContact CD2-CE1 3.62Å; F226-F446 HydrophobicContact CD2-CE1 3.62Å; F226-F446 AromaticContact CD2-CG 3.85Å; F226-F446 HydrophobicContact CD2-CG 3.85Å; F226-F446 HydrophobicContact CD2-CZ 4.44Å; F226-F446 HydrophobicContact CE1-CE1 4.42Å; F226-F446 AromaticContact CE2-CD1 3.79Å; F226-F446 HydrophobicContact CE2-CD1 3.79Å; F226-F446 HydrophobicContact CE2-CE1 4.1Å; F226-F446 AromaticContact CG-CD1 3.68Å; F226-F446 HydrophobicContact CG-CD1 3.68Å; F226-F446 AromaticContact CG-CE1 3.55Å; F226-F446 HydrophobicContact CG-CE1 3.55Å; F226-F446 HydrophobicContact CG-CG 4.22Å; F226-F446 HydrophobicContact CG-CZ 4.01Å; F226-F446 HydrophobicContact CZ-CE1 4.49Å; M442-F446 PolarHBondContact O-N 3.3Å; M443-F446 PolarHBondContact O-N 3.33Å; H444-F446 VanDerWaalsContact C-N 3.3Å; H444-F446 PolarHBondContact O-N 2.82Å; F446-D449 PolarHBondContact O-N 3.22Å; F446-T450 VanDerWaalsContact O-CB 3.28Å; F446-T450 WeakPolarHBondContact O-CB 3.35Å; F446-T450 PolarHBondContact O-N 3.46Å; F446-T450 PolarHBondContact O-OG1 3.02Å; F446-Y481 HydrophobicContact CD1-CD1 4.15Å; F446-Y481 HydrophobicContact CD1-CG 4.32Å; F446-Y481 AromaticContact CE1-CD1 3.59Å; F446-Y481 HydrophobicContact CE1-CD1 3.59Å; F446-Y481 AromaticContact CE1-CE1 3.67Å; F446-Y481 HydrophobicContact CE1-CE1 3.67Å; F446-Y481 HydrophobicContact CE1-CG 4.11Å; F446-Y481 HydrophobicContact CZ-CE1 4.41Å; F446-F514 HydrophobicContact CB-CD2 3.73Å; F446-F514 HydrophobicContact CB-CE2 3.89Å; F446-F514 HydrophobicContact CG-CE2 4.5Å
447	A	98.2	Very high	97.1	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-63	-45.4	-178.9	0	0	0	0	0	111.6	M443 H444 T450 W451 T477 L478 Y481 T482	M443-A447 WeakPolarHBondContact O-CB 3.42Å; M443-A447 PolarHBondContact O-N 2.95Å; H444-A447 PolarHBondContact O-N 2.9Å; A447-T450 PolarHBondContact O-N 2.84Å; A447-W451 PolarHBondContact O-N 3.18Å; A447-T477 WeakPolarHBondContact O-CG2 3.38Å; A447-L478 HydrophobicContact CB-CD2 3.99Å; A447-Y481 HydrophobicContact CB-CD2 4.4Å; A447-Y481 HydrophobicContact CB-CG 4.44Å; A447-T482 HydrophobicContact CB-CG2 3.68Å
448	V	98.1	Very high	97.2	Very high	2 Å²	2	21.2 Å²	21.2	1%	0.012	10%	0.097	C	C	.	.	H	α-helix	trans	-63.9	-46.3	178.1	170.4	0	0	0	0	111.5	H444 T450 W451 L452 W474 L478 I504 I510	H444-V448 WeakPolarHBondContact O-CB 3.45Å; H444-V448 VanDerWaalsContact O-CG2 3.24Å; H444-V448 WeakPolarHBondContact O-CG2 3.29Å; H444-V448 PolarHBondContact O-N 3.04Å; V448-T450 VanDerWaalsContact C-N 3.33Å; V448-T450 PolarHBondContact O-N 3.15Å; V448-W451 PolarHBondContact O-N 3.21Å; V448-L452 VanDerWaalsContact O-CB 3.26Å; V448-L452 WeakPolarHBondContact O-CB 3.42Å; V448-L452 PolarHBondContact O-N 3.28Å; V448-W474 HydrophobicContact CB-CH2 4.44Å; V448-W474 HydrophobicContact CB-CZ3 4.41Å; V448-W474 HydrophobicContact CG1-CH2 4.17Å; V448-W474 HydrophobicContact CG1-CZ3 4.05Å; V448-W474 HydrophobicContact CG2-CH2 3.6Å; V448-W474 HydrophobicContact CG2-CZ2 4.5Å; V448-W474 HydrophobicContact CG2-CZ3 3.97Å; V448-L478 HydrophobicContact CG2-CD2 3.96Å; V448-I504 HydrophobicContact CG1-CD1 3.43Å; V448-I504 VanDerWaalsContact CG1-CD1 3.43Å; V448-I504 HydrophobicContact CG1-CG1 4.18Å; V448-I510 HydrophobicContact CB-CG2 4.34Å; V448-I510 HydrophobicContact CG1-CB 4.17Å; V448-I510 HydrophobicContact CG1-CG1 3.82Å; V448-I510 HydrophobicContact CG1-CG2 4.09Å
449	D	98	Very high	97.2	Very high	6 Å²	6	20.9 Å²	20.9	3%	0.032	9%	0.094	C	C	.	.	H	α-helix	trans	-64.2	-38.9	177.5	-164.8	58.7	0	0	0	111.1	A445 F446 L452 R453 G511	A445-D449 WeakPolarHBondContact O-CB 3.43Å; A445-D449 PolarHBondContact O-N 3.23Å; F446-D449 PolarHBondContact O-N 3.22Å; D449-L452 PolarHBondContact O-N 3.49Å; D449-R453 VanDerWaalsContact CG-NE 3.3Å; D449-R453 WeakPolarHBondContact O-CB 3.35Å; D449-R453 WeakPolarHBondContact O-CG 3.34Å; D449-R453 PolarHBondContact O-N 3.26Å; D449-R453 IonicContact OD1-NE 3.77Å; D449-R453 IonicContact OD2-CZ 3.52Å; D449-R453 IonicContact OD2-NE 2.62Å; D449-R453 PolarHBondContact OD2-NE 3.25Å; D449-R453 IonicContact OD2-NH2 3.49Å; D449-R453 PolarHBondContact OD2-NH2 2.91Å; D449-G511 VanDerWaalsContact CG-CA 3.41Å; D449-G511 VanDerWaalsContact CG-N 3.32Å; D449-G511 PolarHBondContact OD1-N 3.41Å; D449-G511 WeakPolarHBondContact OD2-CA 3.37Å
450	T	98	Very high	97	Very high	16 Å²	16	30.1 Å²	30.1	10%	0.098	13%	0.129	C	C	.	.	H	α-helix	trans	-61.1	-47.2	175.3	-63.8	0	0	0	0	112.1	F446 A447 V448 R454 T477 Y481	F446-T450 VanDerWaalsContact O-CB 3.28Å; F446-T450 WeakPolarHBondContact O-CB 3.35Å; F446-T450 PolarHBondContact O-N 3.46Å; F446-T450 PolarHBondContact O-OG1 3.02Å; A447-T450 PolarHBondContact O-N 2.84Å; V448-T450 VanDerWaalsContact C-N 3.33Å; V448-T450 PolarHBondContact O-N 3.15Å; T450-R454 PolarHBondContact O-N 3.2Å; T450-T477 HydrophobicContact CG2-CG2 4.47Å; T450-Y481 HydrophobicContact CG2-CE2 3.72Å
451	W	98	Very high	96.8	Very high	7 Å²	7	35.1 Å²	35.1	3%	0.027	16%	0.161	C	C	.	.	H	α-helix	trans	-62	-49.3	175.3	175.9	87.3	0	0	0	111.1	A447 V448 R453 R454 F455 L470 W474 T477 F498 I504	A447-W451 PolarHBondContact O-N 3.18Å; V448-W451 PolarHBondContact O-N 3.21Å; W451-R453 PolarHBondContact O-N 2.83Å; W451-R454 PolarHBondContact O-N 2.99Å; W451-F455 HydrophobicContact CH2-CD1 4.3Å; W451-F455 HydrophobicContact CZ3-CD1 4.47Å; W451-F455 PolarHBondContact O-N 3.03Å; W451-L470 HydrophobicContact CZ2-CB 4.42Å; W451-L470 PolarHBondContact NE1-O 3.26Å; W451-W474 VanDerWaalsContact CD1-CA 3.42Å; W451-W474 HydrophobicContact CD2-CB 4.49Å; W451-W474 AromaticContact CD2-CE3 3.68Å; W451-W474 HydrophobicContact CD2-CE3 3.68Å; W451-W474 HydrophobicContact CD2-CZ3 4.39Å; W451-W474 AromaticContact CE3-CE3 3.66Å; W451-W474 HydrophobicContact CE3-CE3 3.66Å; W451-W474 AromaticContact CE3-CZ3 3.96Å; W451-W474 HydrophobicContact CE3-CZ3 3.96Å; W451-W474 HydrophobicContact CG-CE3 4.08Å; W451-W474 HydrophobicContact CZ2-CB 4.29Å; W451-W474 HydrophobicContact CZ3-CE3 4.12Å; W451-W474 HydrophobicContact CZ3-CZ3 4.39Å; W451-W474 VanDerWaalsContact NE1-CA 3.34Å; W451-W474 VanDerWaalsContact NE1-N 3.2Å; W451-T477 HydrophobicContact CB-CG2 3.86Å; W451-F498 HydrophobicContact CH2-CB 4.15Å; W451-F498 AromaticContact CH2-CD1 4Å; W451-F498 HydrophobicContact CH2-CD1 4Å; W451-F498 AromaticContact CH2-CD2 3.49Å; W451-F498 HydrophobicContact CH2-CD2 3.49Å; W451-F498 VanDerWaalsContact CH2-CD2 3.49Å; W451-F498 HydrophobicContact CH2-CE1 4.22Å; W451-F498 AromaticContact CH2-CE2 3.75Å; W451-F498 HydrophobicContact CH2-CE2 3.75Å; W451-F498 AromaticContact CH2-CG 3.62Å; W451-F498 HydrophobicContact CH2-CG 3.62Å; W451-F498 HydrophobicContact CH2-CZ 4.1Å; W451-F498 AromaticContact CZ2-CD1 3.9Å; W451-F498 HydrophobicContact CZ2-CD1 3.9Å; W451-F498 HydrophobicContact CZ2-CD2 4.23Å; W451-F498 HydrophobicContact CZ2-CE1 4.05Å; W451-F498 HydrophobicContact CZ2-CE2 4.38Å; W451-F498 AromaticContact CZ2-CG 3.98Å; W451-F498 HydrophobicContact CZ2-CG 3.98Å; W451-F498 HydrophobicContact CZ2-CZ 4.29Å; W451-F498 HydrophobicContact CZ3-CD2 4.22Å; W451-F498 HydrophobicContact CZ3-CG 4.38Å; W451-I504 HydrophobicContact CZ3-CG2 3.97Å
452	L	97.5	Very high	96.7	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-62	-43.8	-175	-174.3	59.2	0	0	0	111	W204 V448 D449 F455 L456 I504 L507	W204-L452 HydrophobicContact CH2-CD2 3.76Å; W204-L452 HydrophobicContact CH2-CG 4.24Å; W204-L452 HydrophobicContact CZ3-CD2 3.75Å; W204-L452 HydrophobicContact CZ3-CG 4.12Å; V448-L452 VanDerWaalsContact O-CB 3.26Å; V448-L452 WeakPolarHBondContact O-CB 3.42Å; V448-L452 PolarHBondContact O-N 3.28Å; D449-L452 PolarHBondContact O-N 3.49Å; L452-F455 HydrophobicContact CD1-CD1 4.25Å; L452-F455 PolarHBondContact O-N 2.91Å; L452-L456 HydrophobicContact CD1-CD1 3.91Å; L452-L456 HydrophobicContact CD1-CD2 4.49Å; L452-L456 HydrophobicContact CD1-CG 4.07Å; L452-L456 HydrophobicContact CG-CD1 3.78Å; L452-L456 HydrophobicContact CG-CG 4.32Å; L452-L456 WeakPolarHBondContact O-CB 3.42Å; L452-L456 WeakPolarHBondContact O-CG 3Å; L452-L456 PolarHBondContact O-N 3.39Å; L452-I504 HydrophobicContact CD2-CD1 4.03Å; L452-L507 HydrophobicContact CD1-CD2 4.22Å
453	R	97.5	Very high	96.4	Very high	5 Å²	5	45.6 Å²	45.6	2%	0.019	21%	0.205	C	C	.	.	H	α-helix	trans	-62.8	-43.1	177.1	-71.6	171.5	-179.9	-90.3	4.1	113.1	V201 E205 D449 W451 L456 R457	V201-R453 HydrophobicContact CG1-CB 4.16Å; V201-R453 HydrophobicContact CG1-CG 3.76Å; V201-R453 HydrophobicContact CG2-CB 4.08Å; V201-R453 HydrophobicContact CG2-CG 4.14Å; E205-R453 IonicContact OE1-CZ 2.7Å; E205-R453 IonicContact OE1-NH1 2.69Å; E205-R453 PolarHBondContact OE1-NH1 3.26Å; E205-R453 IonicContact OE1-NH2 3.6Å; E205-R453 PolarHBondContact OE1-NH2 3.46Å; D449-R453 VanDerWaalsContact CG-NE 3.3Å; D449-R453 WeakPolarHBondContact O-CB 3.35Å; D449-R453 WeakPolarHBondContact O-CG 3.34Å; D449-R453 PolarHBondContact O-N 3.26Å; D449-R453 IonicContact OD1-NE 3.77Å; D449-R453 IonicContact OD2-CZ 3.52Å; D449-R453 IonicContact OD2-NE 2.62Å; D449-R453 PolarHBondContact OD2-NE 3.25Å; D449-R453 IonicContact OD2-NH2 3.49Å; D449-R453 PolarHBondContact OD2-NH2 2.91Å; W451-R453 PolarHBondContact O-N 2.83Å; R453-L456 PolarHBondContact O-N 2.85Å; R453-R457 VanDerWaalsContact O-CG 3.32Å; R453-R457 WeakPolarHBondContact O-CG 3.5Å; R453-R457 PolarHBondContact O-N 3.23Å; R453-R457 VanDerWaalsContact O-N 3.13Å
454	R	97.1	Very high	96.2	Very high	143 Å²	143	52.5 Å²	52.5	54%	0.54	24%	0.235	S	C	.	.	H	α-helix	trans	-59.8	-50.9	174.9	-81	178.7	171.3	178.2	-1.8	110.7	T450 W451 L456 R457 D458	T450-R454 PolarHBondContact O-N 3.2Å; W451-R454 PolarHBondContact O-N 2.99Å; R454-L456 PolarHBondContact O-N 3.14Å; R454-R457 PolarHBondContact O-N 3.18Å; R454-D458 PolarHBondContact O-N 3.14Å
455	F	97.3	Very high	96.1	Very high	7 Å²	7	52.1 Å²	52.1	3%	0.031	23%	0.233	C	C	.	.	H	α-helix	trans	-55.9	-49.3	177.5	163.8	-119.8	0	0	0	112.3	F181 V185 W451 L452 R457 D458 V459 M462 F465 L470	F181-F455 AromaticContact CE1-CE1 3.83Å; F181-F455 HydrophobicContact CE1-CE1 3.83Å; F181-F455 AromaticContact CE1-CZ 3.9Å; F181-F455 HydrophobicContact CE1-CZ 3.9Å; F181-F455 HydrophobicContact CZ-CE1 4.04Å; V185-F455 HydrophobicContact CG1-CE1 4.28Å; V185-F455 HydrophobicContact CG1-CZ 4.1Å; V185-F455 HydrophobicContact CG2-CE1 4.08Å; V185-F455 HydrophobicContact CG2-CZ 4.15Å; W451-F455 HydrophobicContact CH2-CD1 4.3Å; W451-F455 HydrophobicContact CZ3-CD1 4.47Å; W451-F455 PolarHBondContact O-N 3.03Å; L452-F455 HydrophobicContact CD1-CD1 4.25Å; L452-F455 PolarHBondContact O-N 2.91Å; F455-R457 VanDerWaalsContact C-N 3.34Å; F455-R457 PolarHBondContact O-N 3.42Å; F455-D458 PolarHBondContact O-N 3.45Å; F455-V459 HydrophobicContact CE2-CG2 4.41Å; F455-V459 HydrophobicContact CZ-CG2 4.45Å; F455-V459 PolarHBondContact O-N 3.37Å; F455-M462 HydrophobicContact CE2-SD 4.46Å; F455-F465 HydrophobicContact CE2-CD2 4.2Å; F455-F465 HydrophobicContact CE2-CE1 4.29Å; F455-F465 AromaticContact CE2-CE2 3.95Å; F455-F465 HydrophobicContact CE2-CE2 3.95Å; F455-F465 HydrophobicContact CE2-CZ 4Å; F455-F465 HydrophobicContact CZ-CD2 4.04Å; F455-F465 AromaticContact CZ-CE2 3.5Å; F455-F465 HydrophobicContact CZ-CE2 3.5Å; F455-F465 AromaticContact CZ-CZ 3.78Å; F455-F465 HydrophobicContact CZ-CZ 3.78Å; F455-L470 HydrophobicContact CD2-CD1 4.22Å; F455-L470 HydrophobicContact CD2-CD2 3.48Å; F455-L470 VanDerWaalsContact CD2-CD2 3.48Å; F455-L470 HydrophobicContact CE2-CD1 3.85Å; F455-L470 HydrophobicContact CE2-CD2 3.98Å; F455-L470 HydrophobicContact CG-CD2 4.28Å
456	L	97.5	Very high	95.9	Very high	0 Å²	0	56 Å²	56	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-69.1	-28.1	-174.4	-67.3	175	0	0	0	113.8	V185 I200 V201 W204 L452 R453 R454 V459 L507	V185-L456 HydrophobicContact CG1-CD2 3.95Å; I200-L456 HydrophobicContact CB-CB 4.46Å; I200-L456 HydrophobicContact CB-CD1 4.34Å; I200-L456 HydrophobicContact CD1-CD2 3.8Å; I200-L456 HydrophobicContact CG2-CD1 4.04Å; V201-L456 HydrophobicContact CG2-CB 3.74Å; V201-L456 HydrophobicContact CG2-CD1 4.43Å; W204-L456 HydrophobicContact CE3-CD1 4.39Å; W204-L456 HydrophobicContact CH2-CD1 3.44Å; W204-L456 VanDerWaalsContact CH2-CD1 3.44Å; W204-L456 HydrophobicContact CZ2-CD1 4.14Å; W204-L456 HydrophobicContact CZ3-CD1 3.58Å; L452-L456 HydrophobicContact CD1-CD1 3.91Å; L452-L456 HydrophobicContact CD1-CD2 4.49Å; L452-L456 HydrophobicContact CD1-CG 4.07Å; L452-L456 HydrophobicContact CG-CD1 3.78Å; L452-L456 HydrophobicContact CG-CG 4.32Å; L452-L456 WeakPolarHBondContact O-CB 3.42Å; L452-L456 WeakPolarHBondContact O-CG 3Å; L452-L456 PolarHBondContact O-N 3.39Å; R453-L456 PolarHBondContact O-N 2.85Å; R454-L456 PolarHBondContact O-N 3.14Å; L456-V459 WeakPolarHBondContact O-CG2 3.41Å; L456-L507 HydrophobicContact CD2-CD2 3.97Å
457	R	96.8	Very high	95.6	Very high	86 Å²	86	57 Å²	57	33%	0.325	26%	0.258	S	S	.	.	H	α-helix	trans	-69.4	-34.6	172.7	-75.9	169.2	176.5	143.1	-1.3	112.4	V201 E219 R453 R454 F455 V459	V201-R457 HydrophobicContact CB-CG 4.34Å; V201-R457 HydrophobicContact CG2-CG 4Å; E219-R457 IonicContact OE1-CZ 3.91Å; E219-R457 IonicContact OE1-NH1 2.9Å; E219-R457 PolarHBondContact OE1-NH1 3.37Å; E219-R457 IonicContact OE1-NH2 3.46Å; E219-R457 IonicContact OE2-CZ 2.89Å; E219-R457 IonicContact OE2-NH1 3.63Å; E219-R457 PolarHBondContact OE2-NH1 2.63Å; E219-R457 VanDerWaalsContact OE2-NH1 3.15Å; E219-R457 IonicContact OE2-NH2 2.73Å; E219-R457 PolarHBondContact OE2-NH2 2.88Å; R453-R457 VanDerWaalsContact O-CG 3.32Å; R453-R457 WeakPolarHBondContact O-CG 3.5Å; R453-R457 PolarHBondContact O-N 3.23Å; R453-R457 VanDerWaalsContact O-N 3.13Å; R454-R457 PolarHBondContact O-N 3.18Å; F455-R457 VanDerWaalsContact C-N 3.34Å; F455-R457 PolarHBondContact O-N 3.42Å; R457-V459 VanDerWaalsContact C-N 3.31Å; R457-V459 PolarHBondContact O-N 3.47Å
458	D	95.3	Very high	95.3	Very high	89 Å²	89	59.8 Å²	59.8	48%	0.476	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	3.6	-176.1	-64.9	-23.1	0	0	0	113.5	R454 F455 R460 P461 M462	R454-D458 PolarHBondContact O-N 3.14Å; F455-D458 PolarHBondContact O-N 3.45Å; D458-R460 PolarHBondContact O-N 3.14Å; D458-P461 WeakPolarHBondContact O-CD 3.12Å; D458-P461 VanDerWaalsContact O-CG 3.27Å; D458-P461 WeakPolarHBondContact O-CG 3.15Å; D458-M462 HydrophobicContact CB-CE 3.56Å; D458-M462 WeakPolarHBondContact O-CE 3.43Å; D458-M462 WeakPolarHBondContact O-CG 3.2Å
459	V	95	Very high	95.1	Very high	4 Å²	4	63.7 Å²	63.7	2%	0.024	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-42.2	-178.3	168.7	0	0	0	0	112.6	V185 K186 H189 F455 L456 R457 M462 F465	V185-V459 HydrophobicContact CG1-CB 4.41Å; V185-V459 HydrophobicContact CG1-CG1 4.03Å; V185-V459 HydrophobicContact CG1-CG2 3.46Å; V185-V459 VanDerWaalsContact CG1-CG2 3.46Å; K186-V459 HydrophobicContact CG-CG1 4.44Å; H189-V459 HydrophobicContact CB-CG1 4.09Å; F455-V459 HydrophobicContact CE2-CG2 4.41Å; F455-V459 HydrophobicContact CZ-CG2 4.45Å; F455-V459 PolarHBondContact O-N 3.37Å; L456-V459 WeakPolarHBondContact O-CG2 3.41Å; R457-V459 VanDerWaalsContact C-N 3.31Å; R457-V459 PolarHBondContact O-N 3.47Å; V459-M462 WeakPolarHBondContact O-CB 3.37Å; V459-M462 PolarHBondContact O-N 3.13Å; V459-F465 HydrophobicContact CG2-CZ 4.41Å
460	R	91.4	Very high	94.9	Very high	210 Å²	210	64 Å²	64	79%	0.792	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-48.8	-172.7	-176	-179.1	178.4	-165	1.2	114	D458 M462	D458-R460 PolarHBondContact O-N 3.14Å; R460-M462 VanDerWaalsContact C-N 3.26Å; R460-M462 PolarHBondContact O-N 3.19Å
461	P	92.3	Very high	94.7	Very high	106 Å²	106	63.6 Å²	63.6	69%	0.688	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-12.9	177.3	27.4	-37	0	0	0	114.5	D458 K463	D458-P461 WeakPolarHBondContact O-CD 3.12Å; D458-P461 VanDerWaalsContact O-CG 3.27Å; D458-P461 WeakPolarHBondContact O-CG 3.15Å; P461-K463 PolarHBondContact O-N 3.42Å
462	M	93.1	Very high	94.6	Very high	53 Å²	53	67.5 Å²	67.5	26%	0.261	32%	0.315	S	S	.	.			trans	-81.5	106.7	-175.4	-65.2	176.5	-170.5	0	0	112.3	F455 D458 V459 R460 F465	F455-M462 HydrophobicContact CE2-SD 4.46Å; D458-M462 HydrophobicContact CB-CE 3.56Å; D458-M462 WeakPolarHBondContact O-CE 3.43Å; D458-M462 WeakPolarHBondContact O-CG 3.2Å; V459-M462 WeakPolarHBondContact O-CB 3.37Å; V459-M462 PolarHBondContact O-N 3.13Å; R460-M462 VanDerWaalsContact C-N 3.26Å; R460-M462 PolarHBondContact O-N 3.19Å; M462-F465 HydrophobicContact CB-CD1 4.01Å; M462-F465 HydrophobicContact CB-CE1 4.1Å; M462-F465 HydrophobicContact SD-CD1 3.82Å; M462-F465 HydrophobicContact SD-CE1 4.01Å
463	K	91.2	Very high	94.5	Very high	197 Å²	197	70.7 Å²	70.7	86%	0.857	33%	0.332	S	S	*	.	S	Bend	trans	-64.2	-41.4	170.5	-72.1	-175.1	179.6	179.2	0	112.3	K186 P461	K186-K463 PolarHBondContact NZ-O 3.47Å; P461-K463 PolarHBondContact O-N 3.42Å
464	K	94.2	Very high	94.5	Very high	145 Å²	145	70.6 Å²	70.6	63%	0.63	33%	0.331	S	S	*	.	S	Bend	trans	-143	145.9	175.9	-173.1	172.2	-176.8	175.8	0	108.6
465	F	95.1	Very high	94.4	Very high	7 Å²	7	64.7 Å²	64.7	3%	0.031	31%	0.309	C	S	.	.			trans	-74.3	136.4	178.9	-66.2	-8.6	0	0	0	111.4	F181 E182 V185 F455 V459 M462 W467 L470	F181-F465 HydrophobicContact CD1-CE2 4.37Å; F181-F465 HydrophobicContact CE1-CE2 4.48Å; E182-F465 HydrophobicContact CB-CD2 3.83Å; E182-F465 HydrophobicContact CB-CE2 3.9Å; E182-F465 HydrophobicContact CB-CG 4.43Å; E182-F465 HydrophobicContact CG-CD1 4.17Å; E182-F465 HydrophobicContact CG-CD2 3.76Å; E182-F465 HydrophobicContact CG-CE1 4.2Å; E182-F465 HydrophobicContact CG-CE2 3.79Å; E182-F465 HydrophobicContact CG-CG 3.95Å; E182-F465 HydrophobicContact CG-CZ 4Å; E182-F465 PolarHBondContact OE2-N 3.14Å; V185-F465 HydrophobicContact CB-CE2 4.03Å; V185-F465 HydrophobicContact CB-CZ 3.96Å; V185-F465 HydrophobicContact CG1-CE2 4.21Å; V185-F465 HydrophobicContact CG1-CZ 3.77Å; V185-F465 HydrophobicContact CG2-CE2 4.19Å; F455-F465 HydrophobicContact CE2-CD2 4.2Å; F455-F465 HydrophobicContact CE2-CE1 4.29Å; F455-F465 AromaticContact CE2-CE2 3.95Å; F455-F465 HydrophobicContact CE2-CE2 3.95Å; F455-F465 HydrophobicContact CE2-CZ 4Å; F455-F465 HydrophobicContact CZ-CD2 4.04Å; F455-F465 AromaticContact CZ-CE2 3.5Å; F455-F465 HydrophobicContact CZ-CE2 3.5Å; F455-F465 AromaticContact CZ-CZ 3.78Å; F455-F465 HydrophobicContact CZ-CZ 3.78Å; V459-F465 HydrophobicContact CG2-CZ 4.41Å; M462-F465 HydrophobicContact CB-CD1 4.01Å; M462-F465 HydrophobicContact CB-CE1 4.1Å; M462-F465 HydrophobicContact SD-CD1 3.82Å; M462-F465 HydrophobicContact SD-CE1 4.01Å; F465-W467 HydrophobicContact CB-CD2 4.23Å; F465-W467 HydrophobicContact CB-CE3 4.37Å; F465-W467 HydrophobicContact CB-CH2 4.08Å; F465-W467 HydrophobicContact CB-CZ2 3.87Å; F465-W467 HydrophobicContact CB-CZ3 4.31Å; F465-W467 AromaticContact CD2-CH2 3.61Å; F465-W467 HydrophobicContact CD2-CH2 3.61Å; F465-W467 HydrophobicContact CD2-CZ2 4.1Å; F465-W467 AromaticContact CD2-CZ3 3.99Å; F465-W467 HydrophobicContact CD2-CZ3 3.99Å; F465-W467 HydrophobicContact CG-CH2 4.34Å; F465-W467 HydrophobicContact CG-CZ2 4.46Å; F465-W467 PolarHBondContact O-N 3.43Å; F465-L470 HydrophobicContact CB-CD1 3.93Å; F465-L470 HydrophobicContact CD2-CD1 4.43Å; F465-L470 HydrophobicContact CG-CD1 4.27Å
466	N	93.7	Very high	94.4	Very high	84 Å²	84	69.8 Å²	69.8	45%	0.449	33%	0.333	S	S	.	.			trans	-91.3	90.4	170.5	-172.5	-27.1	0	0	0	108.7	T468 I469 L470	N466-T468 VanDerWaalsContact C-N 3.29Å; N466-T468 PolarHBondContact O-N 3.14Å; N466-T468 PolarHBondContact OD1-N 3.33Å; N466-I469 HydrophobicContact CB-CB 4.24Å; N466-I469 HydrophobicContact CB-CD1 4.35Å; N466-I469 HydrophobicContact CB-CG1 4.42Å; N466-I469 WeakPolarHBondContact ND2-CD1 3.43Å; N466-I469 WeakPolarHBondContact ND2-CG1 3.46Å; N466-I469 PolarHBondContact O-N 3.33Å; N466-I469 PolarHBondContact OD1-N 2.92Å; N466-L470 WeakPolarHBondContact O-CG 3.42Å; N466-L470 PolarHBondContact O-N 3.38Å
467	W	92.8	Very high	94.5	Very high	31 Å²	31	70.2 Å²	70.2	12%	0.117	34%	0.335	C	S	.	.	H	α-helix	trans	-58.3	-37.7	-173.9	-56.5	110.5	0	0	0	113.9	L178 F181 E182 F465 L470 N471 V496 F498 L499	L178-W467 HydrophobicContact CB-CD2 4.46Å; L178-W467 HydrophobicContact CB-CH2 4.24Å; L178-W467 HydrophobicContact CB-CZ2 3.69Å; L178-W467 HydrophobicContact CD1-CD2 4.43Å; L178-W467 HydrophobicContact CD1-CG 4.28Å; L178-W467 HydrophobicContact CD2-CD2 3.92Å; L178-W467 HydrophobicContact CD2-CE3 3.99Å; L178-W467 HydrophobicContact CD2-CG 4.41Å; L178-W467 HydrophobicContact CD2-CH2 4.4Å; L178-W467 HydrophobicContact CD2-CZ2 4.39Å; L178-W467 HydrophobicContact CD2-CZ3 4.22Å; L178-W467 HydrophobicContact CG-CD2 4.49Å; L178-W467 WeakPolarHBondContact O-CH2 3.43Å; L178-W467 WeakPolarHBondContact O-CZ2 3.36Å; F181-W467 HydrophobicContact CB-CH2 4.38Å; F181-W467 AromaticContact CD1-CH2 3.91Å; F181-W467 HydrophobicContact CD1-CH2 3.91Å; F181-W467 AromaticContact CD1-CZ3 3.85Å; F181-W467 HydrophobicContact CD1-CZ3 3.85Å; F181-W467 HydrophobicContact CE1-CZ3 4.49Å; E182-W467 HydrophobicContact CB-CH2 4.15Å; E182-W467 HydrophobicContact CB-CZ2 4.09Å; F465-W467 HydrophobicContact CB-CD2 4.23Å; F465-W467 HydrophobicContact CB-CE3 4.37Å; F465-W467 HydrophobicContact CB-CH2 4.08Å; F465-W467 HydrophobicContact CB-CZ2 3.87Å; F465-W467 HydrophobicContact CB-CZ3 4.31Å; F465-W467 AromaticContact CD2-CH2 3.61Å; F465-W467 HydrophobicContact CD2-CH2 3.61Å; F465-W467 HydrophobicContact CD2-CZ2 4.1Å; F465-W467 AromaticContact CD2-CZ3 3.99Å; F465-W467 HydrophobicContact CD2-CZ3 3.99Å; F465-W467 HydrophobicContact CG-CH2 4.34Å; F465-W467 HydrophobicContact CG-CZ2 4.46Å; F465-W467 PolarHBondContact O-N 3.43Å; W467-L470 HydrophobicContact CE3-CD1 4.34Å; W467-L470 PolarHBondContact O-N 3.35Å; W467-N471 WeakPolarHBondContact O-CB 3.07Å; W467-N471 PolarHBondContact O-N 2.04Å; W467-V496 HydrophobicContact CB-CG2 3.8Å; W467-V496 HydrophobicContact CE3-CG1 3.86Å; W467-V496 HydrophobicContact CG-CG2 4.43Å; W467-V496 HydrophobicContact CZ3-CG1 4.49Å; W467-F498 HydrophobicContact CE3-CZ 4.07Å; W467-F498 HydrophobicContact CZ3-CZ 4.16Å; W467-L499 HydrophobicContact CZ3-CD1 4.23Å
468	T	91.5	Very high	94.5	Very high	57 Å²	57	66.5 Å²	66.5	35%	0.35	32%	0.322	S	S	.	.	H	α-helix	trans	-62.4	-53.1	176.6	-57.2	0	0	0	0	110.7	N466 L470 N471 D472	N466-T468 VanDerWaalsContact C-N 3.29Å; N466-T468 PolarHBondContact O-N 3.14Å; N466-T468 PolarHBondContact OD1-N 3.33Å; T468-L470 VanDerWaalsContact C-N 3.29Å; T468-L470 PolarHBondContact O-N 2.85Å; T468-N471 PolarHBondContact O-N 2.7Å; T468-N471 VanDerWaalsContact O-N 3.14Å; T468-D472 VanDerWaalsContact O-CG 3.22Å; T468-D472 PolarHBondContact O-N 2.96Å
469	I	92.9	Very high	94.7	Very high	84 Å²	84	66.7 Å²	66.7	43%	0.431	32%	0.32	S	S	.	.	H	α-helix	trans	-61.3	-39.8	179.2	-65.9	-179.1	0	0	0	111.3	N466 N471 D472 N473	N466-I469 HydrophobicContact CB-CB 4.24Å; N466-I469 HydrophobicContact CB-CD1 4.35Å; N466-I469 HydrophobicContact CB-CG1 4.42Å; N466-I469 WeakPolarHBondContact ND2-CD1 3.43Å; N466-I469 WeakPolarHBondContact ND2-CG1 3.46Å; N466-I469 PolarHBondContact O-N 3.33Å; N466-I469 PolarHBondContact OD1-N 2.92Å; I469-N471 VanDerWaalsContact C-N 3.32Å; I469-N471 PolarHBondContact O-N 3.3Å; I469-D472 PolarHBondContact O-N 2.98Å; I469-N473 VanDerWaalsContact O-CB 3.3Å; I469-N473 WeakPolarHBondContact O-CB 3.45Å; I469-N473 PolarHBondContact O-N 3.32Å; I469-N473 PolarHBondContact O-ND2 3.42Å
470	L	95	Very high	94.8	Very high	12 Å²	12	72 Å²	72	6%	0.063	35%	0.348	C	S	.	.	H	α-helix	trans	-63.1	-39.9	177.9	-70.4	175.8	0	0	0	112	W451 F455 F465 N466 W467 T468 W474 F498	W451-L470 HydrophobicContact CZ2-CB 4.42Å; W451-L470 PolarHBondContact NE1-O 3.26Å; F455-L470 HydrophobicContact CD2-CD1 4.22Å; F455-L470 HydrophobicContact CD2-CD2 3.48Å; F455-L470 VanDerWaalsContact CD2-CD2 3.48Å; F455-L470 HydrophobicContact CE2-CD1 3.85Å; F455-L470 HydrophobicContact CE2-CD2 3.98Å; F455-L470 HydrophobicContact CG-CD2 4.28Å; F465-L470 HydrophobicContact CB-CD1 3.93Å; F465-L470 HydrophobicContact CD2-CD1 4.43Å; F465-L470 HydrophobicContact CG-CD1 4.27Å; N466-L470 WeakPolarHBondContact O-CG 3.42Å; N466-L470 PolarHBondContact O-N 3.38Å; W467-L470 HydrophobicContact CE3-CD1 4.34Å; W467-L470 PolarHBondContact O-N 3.35Å; T468-L470 VanDerWaalsContact C-N 3.29Å; T468-L470 PolarHBondContact O-N 2.85Å; L470-W474 WeakPolarHBondContact O-CB 3.5Å; L470-W474 PolarHBondContact O-N 3.18Å; L470-F498 HydrophobicContact CB-CE1 3.78Å; L470-F498 HydrophobicContact CB-CZ 4.09Å; L470-F498 HydrophobicContact CD1-CZ 4.38Å
471	N	94.2	Very high	95.1	Very high	8 Å²	8	64.5 Å²	64.5	4%	0.043	32%	0.32	C	S	.	.	H	α-helix	trans	-70.3	-40.6	177.1	-167.5	72	0	0	0	112.5	W467 T468 I469 W474 W475 S495 V496 D497	W467-N471 WeakPolarHBondContact O-CB 3.07Å; W467-N471 PolarHBondContact O-N 2.04Å; T468-N471 PolarHBondContact O-N 2.7Å; T468-N471 VanDerWaalsContact O-N 3.14Å; I469-N471 VanDerWaalsContact C-N 3.32Å; I469-N471 PolarHBondContact O-N 3.3Å; N471-W474 WeakPolarHBondContact O-CB 3.31Å; N471-W474 PolarHBondContact O-N 3.44Å; N471-W475 PolarHBondContact O-N 2.99Å; N471-W475 VanDerWaalsContact O-N 3.12Å; N471-S495 VanDerWaalsContact CB-O 3.26Å; N471-S495 WeakPolarHBondContact CB-O 3.18Å; N471-S495 PolarHBondContact ND2-O 2.71Å; N471-S495 PolarHBondContact ND2-OG 3.29Å; N471-V496 WeakPolarHBondContact OD1-CA 3.03Å; N471-D497 WeakPolarHBondContact OD1-CB 3.33Å; N471-D497 PolarHBondContact OD1-N 2.57Å
472	D	94.3	Very high	95.4	Very high	90 Å²	90	59.6 Å²	59.6	48%	0.481	29%	0.289	S	S	.	.	H	α-helix	trans	-63	-45.8	176.1	-64	-16.1	0	0	0	110.3	T468 I469 W474 W475 Q476	T468-D472 VanDerWaalsContact O-CG 3.22Å; T468-D472 PolarHBondContact O-N 2.96Å; I469-D472 PolarHBondContact O-N 2.98Å; D472-W474 VanDerWaalsContact C-N 3.28Å; D472-W474 PolarHBondContact O-N 3.12Å; D472-W475 PolarHBondContact O-N 2.95Å; D472-Q476 WeakPolarHBondContact O-CB 3.5Å; D472-Q476 PolarHBondContact O-N 2.89Å
473	N	96.6	Very high	95.6	Very high	67 Å²	67	58 Å²	58	36%	0.358	29%	0.285	S	S	.	.	H	α-helix	trans	-63	-34	175.5	-72.6	-13.5	0	0	0	112.3	I469 T477	I469-N473 VanDerWaalsContact O-CB 3.3Å; I469-N473 WeakPolarHBondContact O-CB 3.45Å; I469-N473 PolarHBondContact O-N 3.32Å; I469-N473 PolarHBondContact O-ND2 3.42Å; N473-T477 VanDerWaalsContact O-CB 3.25Å; N473-T477 WeakPolarHBondContact O-CB 3.49Å; N473-T477 PolarHBondContact O-N 3.32Å; N473-T477 PolarHBondContact O-OG1 2.98Å
474	W	96.7	Very high	95.9	Very high	3 Å²	3	48.9 Å²	48.9	1%	0.011	25%	0.246	C	C	.	.	H	α-helix	trans	-60.8	-53.9	175.9	163.2	-94.2	0	0	0	110.6	V448 W451 L470 N471 D472 T477 L478 F498 V501 I504	V448-W474 HydrophobicContact CB-CH2 4.44Å; V448-W474 HydrophobicContact CB-CZ3 4.41Å; V448-W474 HydrophobicContact CG1-CH2 4.17Å; V448-W474 HydrophobicContact CG1-CZ3 4.05Å; V448-W474 HydrophobicContact CG2-CH2 3.6Å; V448-W474 HydrophobicContact CG2-CZ2 4.5Å; V448-W474 HydrophobicContact CG2-CZ3 3.97Å; W451-W474 VanDerWaalsContact CD1-CA 3.42Å; W451-W474 HydrophobicContact CD2-CB 4.49Å; W451-W474 AromaticContact CD2-CE3 3.68Å; W451-W474 HydrophobicContact CD2-CE3 3.68Å; W451-W474 HydrophobicContact CD2-CZ3 4.39Å; W451-W474 AromaticContact CE3-CE3 3.66Å; W451-W474 HydrophobicContact CE3-CE3 3.66Å; W451-W474 AromaticContact CE3-CZ3 3.96Å; W451-W474 HydrophobicContact CE3-CZ3 3.96Å; W451-W474 HydrophobicContact CG-CE3 4.08Å; W451-W474 HydrophobicContact CZ2-CB 4.29Å; W451-W474 HydrophobicContact CZ3-CE3 4.12Å; W451-W474 HydrophobicContact CZ3-CZ3 4.39Å; W451-W474 VanDerWaalsContact NE1-CA 3.34Å; W451-W474 VanDerWaalsContact NE1-N 3.2Å; L470-W474 WeakPolarHBondContact O-CB 3.5Å; L470-W474 PolarHBondContact O-N 3.18Å; N471-W474 WeakPolarHBondContact O-CB 3.31Å; N471-W474 PolarHBondContact O-N 3.44Å; D472-W474 VanDerWaalsContact C-N 3.28Å; D472-W474 PolarHBondContact O-N 3.12Å; W474-T477 PolarHBondContact O-N 3.44Å; W474-L478 HydrophobicContact CD2-CD1 4.3Å; W474-L478 HydrophobicContact CZ2-CD1 3.67Å; W474-L478 HydrophobicContact CZ2-CG 4.39Å; W474-L478 PolarHBondContact O-N 3.47Å; W474-F498 HydrophobicContact CB-CB 4.44Å; W474-F498 HydrophobicContact CB-CD1 4.36Å; W474-F498 HydrophobicContact CD2-CB 3.58Å; W474-F498 HydrophobicContact CE3-CB 3.68Å; W474-F498 HydrophobicContact CG-CB 3.92Å; W474-F498 HydrophobicContact CH2-CB 4.49Å; W474-F498 HydrophobicContact CZ2-CB 4.42Å; W474-F498 HydrophobicContact CZ3-CB 4.14Å; W474-V501 HydrophobicContact CH2-CG2 4.2Å; W474-V501 HydrophobicContact CZ2-CG2 3.88Å; W474-I504 HydrophobicContact CH2-CG1 4.23Å; W474-I504 HydrophobicContact CZ3-CG1 4.24Å
475	W	96.2	Very high	96	Very high	19 Å²	19	42.5 Å²	42.5	7%	0.072	22%	0.22	C	C	.	.	H	α-helix	trans	-68.5	-38.9	-179.4	-74.8	113.7	0	0	0	112.9	W164 A255 N471 D472 T477 L478 E479 R486 D497	W164-W475 HydrophobicContact CH2-CH2 4.29Å; W164-W475 AromaticContact CH2-CZ2 3.79Å; W164-W475 HydrophobicContact CH2-CZ2 3.79Å; W164-W475 AromaticContact CZ2-CH2 3.65Å; W164-W475 HydrophobicContact CZ2-CH2 3.65Å; W164-W475 AromaticContact CZ2-CZ2 3.55Å; W164-W475 HydrophobicContact CZ2-CZ2 3.55Å; A255-W475 HydrophobicContact CB-CH2 4.25Å; A255-W475 HydrophobicContact CB-CZ3 4.3Å; N471-W475 PolarHBondContact O-N 2.99Å; N471-W475 VanDerWaalsContact O-N 3.12Å; D472-W475 PolarHBondContact O-N 2.95Å; W475-T477 VanDerWaalsContact C-N 3.28Å; W475-T477 PolarHBondContact O-N 3.05Å; W475-L478 HydrophobicContact CE3-CD1 3.91Å; W475-L478 HydrophobicContact CZ3-CD1 3.86Å; W475-L478 PolarHBondContact O-N 2.92Å; W475-E479 WeakPolarHBondContact O-CB 2.86Å; W475-E479 PolarHBondContact O-N 2.94Å; W475-R486 HydrophobicContact CD2-CB 3.53Å; W475-R486 HydrophobicContact CD2-CG 3.99Å; W475-R486 HydrophobicContact CE3-CB 3.76Å; W475-R486 VanDerWaalsContact CE3-N 3.31Å; W475-R486 HydrophobicContact CG-CB 3.95Å; W475-R486 HydrophobicContact CG-CG 4.42Å; W475-R486 HydrophobicContact CH2-CB 4.25Å; W475-R486 HydrophobicContact CH2-CG 4.3Å; W475-R486 HydrophobicContact CZ2-CB 4.05Å; W475-R486 HydrophobicContact CZ2-CG 3.75Å; W475-R486 HydrophobicContact CZ3-CB 4.11Å; W475-D497 HydrophobicContact CZ2-CB 3.99Å; W475-D497 PolarHBondContact NE1-OD2 3.42Å
476	Q	97.4	Very high	96	Very high	113 Å²	113	44.3 Å²	44.3	53%	0.528	23%	0.226	S	C	.	.	H	α-helix	trans	-61.1	-39.2	173.4	-174.2	-179.9	39.4	0	0	111.6	D472 N480	D472-Q476 WeakPolarHBondContact O-CB 3.5Å; D472-Q476 PolarHBondContact O-N 2.89Å; Q476-N480 VanDerWaalsContact O-CB 3.24Å; Q476-N480 WeakPolarHBondContact O-CB 3.46Å; Q476-N480 PolarHBondContact O-N 2.95Å; Q476-N480 PolarHBondContact O-ND2 2.99Å
477	T	98.5	Very high	95.9	Very high	9 Å²	9	40.4 Å²	40.4	6%	0.055	21%	0.206	C	C	.	.	H	α-helix	trans	-68.5	-45.3	178.7	-57.7	0	0	0	0	111.2	A447 T450 W451 N473 W474 W475 N480 Y481	A447-T477 WeakPolarHBondContact O-CG2 3.38Å; T450-T477 HydrophobicContact CG2-CG2 4.47Å; W451-T477 HydrophobicContact CB-CG2 3.86Å; N473-T477 VanDerWaalsContact O-CB 3.25Å; N473-T477 WeakPolarHBondContact O-CB 3.49Å; N473-T477 PolarHBondContact O-N 3.32Å; N473-T477 PolarHBondContact O-OG1 2.98Å; W474-T477 PolarHBondContact O-N 3.44Å; W475-T477 VanDerWaalsContact C-N 3.28Å; W475-T477 PolarHBondContact O-N 3.05Å; T477-N480 PolarHBondContact O-N 3.4Å; T477-Y481 HydrophobicContact CG2-CD2 3.63Å; T477-Y481 HydrophobicContact CG2-CE2 3.82Å; T477-Y481 VanDerWaalsContact O-CD2 3.27Å; T477-Y481 WeakPolarHBondContact O-CD2 3.48Å; T477-Y481 PolarHBondContact O-N 3.48Å; T477-Y481 VanDerWaalsContact O-N 3.17Å
478	L	98	Very high	95.5	Very high	8 Å²	8	41.6 Å²	41.6	4%	0.042	22%	0.219	C	C	.	.	H	α-helix	trans	-58.7	-52.5	174.4	-72.6	-179.3	0	0	0	110.9	A447 V448 W474 W475 N480 Y481 T482	A447-L478 HydrophobicContact CB-CD2 3.99Å; V448-L478 HydrophobicContact CG2-CD2 3.96Å; W474-L478 HydrophobicContact CD2-CD1 4.3Å; W474-L478 HydrophobicContact CZ2-CD1 3.67Å; W474-L478 HydrophobicContact CZ2-CG 4.39Å; W474-L478 PolarHBondContact O-N 3.47Å; W475-L478 HydrophobicContact CE3-CD1 3.91Å; W475-L478 HydrophobicContact CZ3-CD1 3.86Å; W475-L478 PolarHBondContact O-N 2.92Å; L478-N480 VanDerWaalsContact C-N 3.31Å; L478-N480 PolarHBondContact O-N 3.43Å; L478-Y481 PolarHBondContact O-N 2.93Å; L478-T482 WeakPolarHBondContact O-CA 3.33Å; L478-T482 WeakPolarHBondContact O-CB 2.96Å; L478-T482 PolarHBondContact O-N 2.78Å; L478-T482 PolarHBondContact O-OG1 3.33Å
479	E	97.9	Very high	95	Very high	93 Å²	93	40.8 Å²	40.8	44%	0.435	21%	0.21	S	C	.	.	H	α-helix	trans	-60.4	-40.8	-177.5	-168.3	171.4	144.6	0	0	112.2	A252 W475 Y481 G483 I484 S485	A252-E479 HydrophobicContact CB-CG 4.01Å; W475-E479 WeakPolarHBondContact O-CB 2.86Å; W475-E479 PolarHBondContact O-N 2.94Å; E479-Y481 PolarHBondContact O-N 3.31Å; E479-G483 WeakPolarHBondContact O-CA 3.35Å; E479-G483 PolarHBondContact O-N 2.69Å; E479-I484 VanDerWaalsContact CA-O 3.25Å; E479-I484 WeakPolarHBondContact CA-O 3.42Å; E479-I484 PolarHBondContact N-O 3.09Å; E479-S485 WeakPolarHBondContact OE2-CB 3.07Å
480	N	97.7	Very high	93.8	Very high	115 Å²	115	45.7 Å²	45.7	62%	0.615	23%	0.231	S	C	*	.	H	α-helix	trans	-67.9	-35.4	179.9	-75.5	-16.9	0	0	0	114	Q476 T477 L478	Q476-N480 VanDerWaalsContact O-CB 3.24Å; Q476-N480 WeakPolarHBondContact O-CB 3.46Å; Q476-N480 PolarHBondContact O-N 2.95Å; Q476-N480 PolarHBondContact O-ND2 2.99Å; T477-N480 PolarHBondContact O-N 3.4Å; L478-N480 VanDerWaalsContact C-N 3.31Å; L478-N480 PolarHBondContact O-N 3.43Å
481	Y	97.9	Very high	92.5	Very high	53 Å²	53	52 Å²	52	21%	0.208	26%	0.261	C	S	.	.	H	α-helix	trans	-100.5	-20.4	-175	-71.6	-65.2	0	0	0	113.9	F226 F446 A447 T450 T477 L478 E479	F226-Y481 AromaticContact CE1-CD1 3.98Å; F226-Y481 HydrophobicContact CE1-CD1 3.98Å; F226-Y481 HydrophobicContact CE1-CE1 4.48Å; F226-Y481 HydrophobicContact CE2-CD1 4.2Å; F226-Y481 WeakPolarHBondContact CE2-O 3.2Å; F226-Y481 AromaticContact CZ-CD1 3.73Å; F226-Y481 HydrophobicContact CZ-CD1 3.73Å; F446-Y481 HydrophobicContact CD1-CD1 4.15Å; F446-Y481 HydrophobicContact CD1-CG 4.32Å; F446-Y481 AromaticContact CE1-CD1 3.59Å; F446-Y481 HydrophobicContact CE1-CD1 3.59Å; F446-Y481 AromaticContact CE1-CE1 3.67Å; F446-Y481 HydrophobicContact CE1-CE1 3.67Å; F446-Y481 HydrophobicContact CE1-CG 4.11Å; F446-Y481 HydrophobicContact CZ-CE1 4.41Å; A447-Y481 HydrophobicContact CB-CD2 4.4Å; A447-Y481 HydrophobicContact CB-CG 4.44Å; T450-Y481 HydrophobicContact CG2-CE2 3.72Å; T477-Y481 HydrophobicContact CG2-CD2 3.63Å; T477-Y481 HydrophobicContact CG2-CE2 3.82Å; T477-Y481 VanDerWaalsContact O-CD2 3.27Å; T477-Y481 WeakPolarHBondContact O-CD2 3.48Å; T477-Y481 PolarHBondContact O-N 3.48Å; T477-Y481 VanDerWaalsContact O-N 3.17Å; L478-Y481 PolarHBondContact O-N 2.93Å; E479-Y481 PolarHBondContact O-N 3.31Å
482	T	97.9	Very high	91.2	Very high	4 Å²	4	58.7 Å²	58.7	3%	0.025	30%	0.296	C	S	.	.	H	α-helix	trans	-125.2	-10.5	-177.1	75.9	0	0	0	0	113.1	Y233 H237 M443 A447 L478 I484	Y233-T482 WeakPolarHBondContact OH-CA 2.96Å; Y233-T482 WeakPolarHBondContact OH-CB 3.27Å; Y233-T482 PolarHBondContact OH-O 3.17Å; H237-T482 PolarHBondContact CD2-O 2.99Å; M443-T482 HydrophobicContact CB-CG2 4.21Å; A447-T482 HydrophobicContact CB-CG2 3.68Å; L478-T482 WeakPolarHBondContact O-CA 3.33Å; L478-T482 WeakPolarHBondContact O-CB 2.96Å; L478-T482 PolarHBondContact O-N 2.78Å; L478-T482 PolarHBondContact O-OG1 3.33Å; T482-I484 PolarHBondContact O-N 3.41Å; T482-I484 VanDerWaalsContact O-N 3.13Å; T482-I484 VanDerWaalsContact OG1-CB 3.31Å; T482-I484 WeakPolarHBondContact OG1-CB 3.34Å; T482-I484 WeakPolarHBondContact OG1-CG1 3.49Å; T482-I484 PolarHBondContact OG1-N 3.23Å
483	G	97.8	Very high	90	Very high	18 Å²	18	56.6 Å²	56.6	19%	0.186	28%	0.282	C	S	.	.			trans	59.6	23.2	-172.1	0	0	0	0	0	112.8	H237 A252 I253 E479	H237-G483 PolarHBondContact NE2-O 3.45Å; A252-G483 CarbonylContact C-O 3.58Å; A252-G483 WeakPolarHBondContact CA-O 3.41Å; A252-G483 WeakPolarHBondContact CB-O 3.38Å; I253-G483 PolarHBondContact N-O 3.02Å; E479-G483 WeakPolarHBondContact O-CA 3.35Å; E479-G483 PolarHBondContact O-N 2.69Å
484	I	98	Very high	88.8	Confident	6 Å²	6	62.4 Å²	62.4	3%	0.031	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	125.2	170.6	-63.2	-56.4	0	0	0	109.3	I253 A255 V258 A263 W266 E479 T482	I253-I484 HydrophobicContact CB-CD1 3.85Å; I253-I484 HydrophobicContact CD1-CD1 4.47Å; I253-I484 HydrophobicContact CG2-CD1 4.35Å; I253-I484 CarbonylContact O-C 3.58Å; I253-I484 VanDerWaalsContact O-CA 3.3Å; I253-I484 WeakPolarHBondContact O-CA 3.42Å; A255-I484 HydrophobicContact CB-CG2 3.61Å; V258-I484 HydrophobicContact CG1-CD1 4.24Å; A263-I484 HydrophobicContact CB-CG1 4.48Å; A263-I484 HydrophobicContact CB-CG2 4.02Å; W266-I484 HydrophobicContact CH2-CD1 4.49Å; W266-I484 HydrophobicContact CZ2-CD1 3.62Å; W266-I484 HydrophobicContact CZ2-CG1 4.03Å; E479-I484 VanDerWaalsContact CA-O 3.25Å; E479-I484 WeakPolarHBondContact CA-O 3.42Å; E479-I484 PolarHBondContact N-O 3.09Å; T482-I484 PolarHBondContact O-N 3.41Å; T482-I484 VanDerWaalsContact O-N 3.13Å; T482-I484 VanDerWaalsContact OG1-CB 3.31Å; T482-I484 WeakPolarHBondContact OG1-CB 3.34Å; T482-I484 WeakPolarHBondContact OG1-CG1 3.49Å; T482-I484 PolarHBondContact OG1-N 3.23Å
485	S	96.2	Very high	88.1	Confident	12 Å²	12	62.5 Å²	62.5	8%	0.084	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	158.5	176.8	77.2	0	0	0	0	112	I253 A255 E479	I253-S485 PolarHBondContact O-N 3.46Å; A255-S485 PolarHBondContact N-O 3.39Å; E479-S485 WeakPolarHBondContact OE2-CB 3.07Å
486	R	94.1	Very high	87.9	Confident	44 Å²	44	61.8 Å²	61.8	17%	0.166	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-57.4	140.7	162.7	-164.9	176.3	-178.2	-119.2	13.2	109.4	W164 W475 F489 D492 Y493 S495 D497	W164-R486 HydrophobicContact CH2-CG 4.13Å; W475-R486 HydrophobicContact CD2-CB 3.53Å; W475-R486 HydrophobicContact CD2-CG 3.99Å; W475-R486 HydrophobicContact CE3-CB 3.76Å; W475-R486 VanDerWaalsContact CE3-N 3.31Å; W475-R486 HydrophobicContact CG-CB 3.95Å; W475-R486 HydrophobicContact CG-CG 4.42Å; W475-R486 HydrophobicContact CH2-CB 4.25Å; W475-R486 HydrophobicContact CH2-CG 4.3Å; W475-R486 HydrophobicContact CZ2-CB 4.05Å; W475-R486 HydrophobicContact CZ2-CG 3.75Å; W475-R486 HydrophobicContact CZ3-CB 4.11Å; R486-F489 HydrophobicContact CG-CE2 4.14Å; R486-D492 IonicContact NH1-OD1 3.91Å; R486-Y493 VanDerWaalsContact NH2-CE2 3.33Å; R486-Y493 PolarHBondContact NH2-OH 2.75Å; R486-Y493 VanDerWaalsContact NH2-OH 3.09Å; R486-S495 PolarHBondContact NH2-OG 3.37Å; R486-D497 IonicContact CZ-OD2 3.42Å; R486-D497 IonicContact NE-OD2 3.93Å; R486-D497 PolarHBondContact NE-OD2 3.14Å; R486-D497 IonicContact NH2-OD2 3.19Å
487	P	91.9	Very high	87.7	Confident	3 Å²	3	56.4 Å²	56.4	2%	0.019	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-57.9	148.9	171	-21.1	32.8	0	0	0	111.2	W164 H256 F489	W164-P487 HydrophobicContact CD2-CG 3.75Å; W164-P487 HydrophobicContact CE3-CG 3.89Å; W164-P487 HydrophobicContact CG-CG 4.27Å; W164-P487 HydrophobicContact CH2-CG 4.4Å; W164-P487 HydrophobicContact CZ2-CG 4.24Å; W164-P487 HydrophobicContact CZ3-CG 4.24Å; H256-P487 HydrophobicContact CB-CG 4.16Å; H256-P487 WeakPolarHBondContact ND1-CG 3.15Å; P487-F489 HydrophobicContact CB-CE1 3.9Å; P487-F489 HydrophobicContact CB-CE2 4.43Å; P487-F489 HydrophobicContact CB-CZ 3.63Å; P487-F489 HydrophobicContact CG-CZ 4.17Å; P487-F489 WeakPolarHBondContact O-CD2 3.5Å; P487-F489 WeakPolarHBondContact O-CE2 3.48Å; P487-F489 WeakPolarHBondContact O-CZ 3.18Å
488	S	85.8	Confident	87.5	Confident	56 Å²	56	56 Å²	56	39%	0.392	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-80.4	143.4	175.1	53.5	0	0	0	0	110.9	R161	R161-S488 PolarHBondContact NH1-O 3.13Å; R161-S488 PolarHBondContact NH1-OG 3.14Å
489	F	80	Confident	87.3	Confident	39 Å²	39	55.8 Å²	55.8	17%	0.171	27%	0.269	C	S	.	.			trans	-127.6	152.2	179	-53.3	-63.2	0	0	0	110.8	R161 W164 E165 R486 P487 H491 Y493	R161-F489 HydrophobicContact CG-CE1 4.38Å; W164-F489 HydrophobicContact CE3-CE1 4.38Å; W164-F489 AromaticContact CE3-CZ 3.75Å; W164-F489 HydrophobicContact CE3-CZ 3.75Å; W164-F489 HydrophobicContact CH2-CZ 4.37Å; W164-F489 HydrophobicContact CZ3-CE1 4.41Å; W164-F489 HydrophobicContact CZ3-CE2 4.07Å; W164-F489 AromaticContact CZ3-CZ 3.42Å; W164-F489 HydrophobicContact CZ3-CZ 3.42Å; W164-F489 VanDerWaalsContact CZ3-CZ 3.42Å; E165-F489 HydrophobicContact CG-CD1 3.79Å; E165-F489 HydrophobicContact CG-CE1 3.25Å; E165-F489 HydrophobicContact CG-CZ 4.08Å; E165-F489 WeakPolarHBondContact OE1-CD1 3.42Å; E165-F489 WeakPolarHBondContact OE1-CE1 3.38Å; R486-F489 HydrophobicContact CG-CE2 4.14Å; P487-F489 HydrophobicContact CB-CE1 3.9Å; P487-F489 HydrophobicContact CB-CE2 4.43Å; P487-F489 HydrophobicContact CB-CZ 3.63Å; P487-F489 HydrophobicContact CG-CZ 4.17Å; P487-F489 WeakPolarHBondContact O-CD2 3.5Å; P487-F489 WeakPolarHBondContact O-CE2 3.48Å; P487-F489 WeakPolarHBondContact O-CZ 3.18Å; F489-H491 WeakPolarHBondContact CB-O 3.37Å; F489-H491 PolarHBondContact O-N 2.97Å; F489-Y493 HydrophobicContact CD2-CD1 4.21Å; F489-Y493 AromaticContact CD2-CE1 3.48Å; F489-Y493 HydrophobicContact CD2-CE1 3.48Å; F489-Y493 VanDerWaalsContact CD2-CE1 3.48Å; F489-Y493 AromaticContact CE2-CE1 3.63Å; F489-Y493 HydrophobicContact CE2-CE1 3.63Å; F489-Y493 AromaticContact CG-CE1 3.95Å; F489-Y493 HydrophobicContact CG-CE1 3.95Å; F489-Y493 HydrophobicContact CZ-CE1 4.26Å
490	E	68.1	Low	87.1	Confident	187 Å²	187	51.9 Å²	51.9	87%	0.874	25%	0.25	S	S	*	.	S	Bend	trans	-61.5	-30.9	172.7	-74.7	-172.6	156	0	0	111.9
491	H	66.8	Low	86.9	Confident	146 Å²	146	47 Å²	47	68%	0.676	23%	0.225	S	C	*	.	S	Bend	trans	-128.3	122.4	179.1	-60.7	-34	0	0	0	110	F489 Y493	F489-H491 WeakPolarHBondContact CB-O 3.37Å; F489-H491 PolarHBondContact O-N 2.97Å; H491-Y493 PolarHBondContact O-N 3.48Å
492	D	66.6	Low	86.7	Confident	147 Å²	147	44.7 Å²	44.7	79%	0.786	22%	0.216	S	C	*	.			trans	-68.8	126	170.4	-170.4	25.3	0	0	0	109.4	R486	R486-D492 IonicContact NH1-OD1 3.91Å
493	Y	69.4	Low	86.5	Confident	46 Å²	46	46 Å²	46	18%	0.18	22%	0.221	C	C	.	.			trans	-121.7	138.2	-178.1	65.9	-84.4	0	0	0	109.2	H169 R486 F489 H491 S495	H169-Y493 AromaticContact CD2-CE1 3.85Å; H169-Y493 AromaticContact CD2-CE2 3.25Å; H169-Y493 WeakPolarHBondContact CD2-CE2 2.91Å; H169-Y493 AromaticContact CD2-CZ 3.15Å; H169-Y493 PolarHBondContact CD2-OH 2.89Å; H169-Y493 VanDerWaalsContact CD2-OH 3.23Å; H169-Y493 AromaticContact CE1-CE1 3.81Å; H169-Y493 AromaticContact CE1-CZ 3.92Å; H169-Y493 AromaticContact NE2-CD1 3.8Å; H169-Y493 AromaticContact NE2-CE1 3.04Å; H169-Y493 WeakPolarHBondContact NE2-CE1 3.37Å; H169-Y493 AromaticContact NE2-CE2 3.4Å; H169-Y493 WeakPolarHBondContact NE2-CE2 3.31Å; H169-Y493 AromaticContact NE2-CZ 2.83Å; H169-Y493 PolarHBondContact NE2-OH 3.38Å; R486-Y493 VanDerWaalsContact NH2-CE2 3.33Å; R486-Y493 PolarHBondContact NH2-OH 2.75Å; R486-Y493 VanDerWaalsContact NH2-OH 3.09Å; F489-Y493 HydrophobicContact CD2-CD1 4.21Å; F489-Y493 AromaticContact CD2-CE1 3.48Å; F489-Y493 HydrophobicContact CD2-CE1 3.48Å; F489-Y493 VanDerWaalsContact CD2-CE1 3.48Å; F489-Y493 AromaticContact CE2-CE1 3.63Å; F489-Y493 HydrophobicContact CE2-CE1 3.63Å; F489-Y493 AromaticContact CG-CE1 3.95Å; F489-Y493 HydrophobicContact CG-CE1 3.95Å; F489-Y493 HydrophobicContact CZ-CE1 4.26Å; H491-Y493 PolarHBondContact O-N 3.48Å; Y493-S495 PolarHBondContact O-N 3.48Å; Y493-S495 VanDerWaalsContact O-N 3.09Å
494	R	71.1	Confident	86.4	Confident	189 Å²	189	45.1 Å²	45.1	71%	0.713	21%	0.212	S	C	*	.			trans	-64.8	116	174.5	-72.3	-173.3	-174.4	171.9	2.7	109.1	N173	N173-R494 PolarHBondContact ND2-O 2.93Å; N173-R494 VanDerWaalsContact ND2-O 3.17Å
495	S	82.9	Confident	86.2	Confident	5 Å²	5	44.9 Å²	44.9	4%	0.035	21%	0.21	C	C	.	.			trans	-132.5	161.7	-174.3	93	0	0	0	0	111.1	N471 R486 Y493 D497	N471-S495 VanDerWaalsContact CB-O 3.26Å; N471-S495 WeakPolarHBondContact CB-O 3.18Å; N471-S495 PolarHBondContact ND2-O 2.71Å; N471-S495 PolarHBondContact ND2-OG 3.29Å; R486-S495 PolarHBondContact NH2-OG 3.37Å; Y493-S495 PolarHBondContact O-N 3.48Å; Y493-S495 VanDerWaalsContact O-N 3.09Å; S495-D497 WeakPolarHBondContact CB-OD1 3.43Å; S495-D497 PolarHBondContact OG-OD1 2.92Å; S495-D497 PolarHBondContact OG-OD2 3.04Å
496	V	91.8	Very high	86.2	Confident	4 Å²	4	45.8 Å²	45.8	2%	0.024	21%	0.214	C	C	.	.			trans	-140.3	60.9	-176.9	-166	0	0	0	0	105.3	T172 L178 W467 N471 F498 L499	T172-V496 HydrophobicContact CG2-CB 4.3Å; L178-V496 HydrophobicContact CD2-CB 4.19Å; L178-V496 HydrophobicContact CD2-CG1 4.12Å; L178-V496 HydrophobicContact CD2-CG2 3.89Å; W467-V496 HydrophobicContact CB-CG2 3.8Å; W467-V496 HydrophobicContact CE3-CG1 3.86Å; W467-V496 HydrophobicContact CG-CG2 4.43Å; W467-V496 HydrophobicContact CZ3-CG1 4.49Å; N471-V496 WeakPolarHBondContact OD1-CA 3.03Å; V496-F498 HydrophobicContact CG1-CD1 3.93Å; V496-F498 HydrophobicContact CG1-CE1 3.29Å; V496-F498 HydrophobicContact CG1-CE2 4.04Å; V496-F498 HydrophobicContact CG1-CZ 3.36Å; V496-F498 PolarHBondContact O-N 3.39Å; V496-L499 HydrophobicContact CB-CD1 4.46Å; V496-L499 HydrophobicContact CG1-CB 4.44Å; V496-L499 HydrophobicContact CG1-CD1 3.69Å; V496-L499 HydrophobicContact CG1-CG 3.78Å; V496-L499 PolarHBondContact O-N 3.32Å; V496-L499 VanDerWaalsContact O-N 3.09Å
497	D	93.1	Very high	86.2	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-63.1	-34.4	-165.3	-66.3	-17.9	0	0	0	111.1	Y168 N471 W475 R486 S495 L499 Q500	Y168-D497 HydrophobicContact CD1-CB 3.44Å; Y168-D497 VanDerWaalsContact CD1-CB 3.44Å; Y168-D497 HydrophobicContact CE1-CB 3.64Å; Y168-D497 WeakPolarHBondContact CE1-O 3.01Å; N471-D497 WeakPolarHBondContact OD1-CB 3.33Å; N471-D497 PolarHBondContact OD1-N 2.57Å; W475-D497 HydrophobicContact CZ2-CB 3.99Å; W475-D497 PolarHBondContact NE1-OD2 3.42Å; R486-D497 IonicContact CZ-OD2 3.42Å; R486-D497 IonicContact NE-OD2 3.93Å; R486-D497 PolarHBondContact NE-OD2 3.14Å; R486-D497 IonicContact NH2-OD2 3.19Å; S495-D497 WeakPolarHBondContact CB-OD1 3.43Å; S495-D497 PolarHBondContact OG-OD1 2.92Å; S495-D497 PolarHBondContact OG-OD2 3.04Å; D497-L499 PolarHBondContact O-N 3.43Å; D497-L499 VanDerWaalsContact O-N 3.1Å; D497-Q500 WeakPolarHBondContact O-CB 3.43Å; D497-Q500 PolarHBondContact O-N 2.96Å
498	F	94.1	Very high	86.3	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-58.6	-25.2	176.9	68.4	-98.6	0	0	0	113.5	F181 W451 W467 L470 W474 V496 Q500 V501 I504	F181-F498 AromaticContact CE1-CE2 4Å; F181-F498 HydrophobicContact CE1-CE2 4Å; F181-F498 HydrophobicContact CZ-CE2 4.27Å; W451-F498 HydrophobicContact CH2-CB 4.15Å; W451-F498 AromaticContact CH2-CD1 4Å; W451-F498 HydrophobicContact CH2-CD1 4Å; W451-F498 AromaticContact CH2-CD2 3.49Å; W451-F498 HydrophobicContact CH2-CD2 3.49Å; W451-F498 VanDerWaalsContact CH2-CD2 3.49Å; W451-F498 HydrophobicContact CH2-CE1 4.22Å; W451-F498 AromaticContact CH2-CE2 3.75Å; W451-F498 HydrophobicContact CH2-CE2 3.75Å; W451-F498 AromaticContact CH2-CG 3.62Å; W451-F498 HydrophobicContact CH2-CG 3.62Å; W451-F498 HydrophobicContact CH2-CZ 4.1Å; W451-F498 AromaticContact CZ2-CD1 3.9Å; W451-F498 HydrophobicContact CZ2-CD1 3.9Å; W451-F498 HydrophobicContact CZ2-CD2 4.23Å; W451-F498 HydrophobicContact CZ2-CE1 4.05Å; W451-F498 HydrophobicContact CZ2-CE2 4.38Å; W451-F498 AromaticContact CZ2-CG 3.98Å; W451-F498 HydrophobicContact CZ2-CG 3.98Å; W451-F498 HydrophobicContact CZ2-CZ 4.29Å; W451-F498 HydrophobicContact CZ3-CD2 4.22Å; W451-F498 HydrophobicContact CZ3-CG 4.38Å; W467-F498 HydrophobicContact CE3-CZ 4.07Å; W467-F498 HydrophobicContact CZ3-CZ 4.16Å; L470-F498 HydrophobicContact CB-CE1 3.78Å; L470-F498 HydrophobicContact CB-CZ 4.09Å; L470-F498 HydrophobicContact CD1-CZ 4.38Å; W474-F498 HydrophobicContact CB-CB 4.44Å; W474-F498 HydrophobicContact CB-CD1 4.36Å; W474-F498 HydrophobicContact CD2-CB 3.58Å; W474-F498 HydrophobicContact CE3-CB 3.68Å; W474-F498 HydrophobicContact CG-CB 3.92Å; W474-F498 HydrophobicContact CH2-CB 4.49Å; W474-F498 HydrophobicContact CZ2-CB 4.42Å; W474-F498 HydrophobicContact CZ3-CB 4.14Å; V496-F498 HydrophobicContact CG1-CD1 3.93Å; V496-F498 HydrophobicContact CG1-CE1 3.29Å; V496-F498 HydrophobicContact CG1-CE2 4.04Å; V496-F498 HydrophobicContact CG1-CZ 3.36Å; V496-F498 PolarHBondContact O-N 3.39Å; F498-Q500 VanDerWaalsContact C-N 3.27Å; F498-Q500 PolarHBondContact O-N 2.95Å; F498-V501 WeakPolarHBondContact O-CB 3.35Å; F498-V501 PolarHBondContact O-N 2.94Å; F498-I504 HydrophobicContact CB-CG2 4.33Å; F498-I504 HydrophobicContact CD2-CG2 3.93Å; F498-I504 WeakPolarHBondContact O-CB 3.39Å
499	L	93.9	Very high	86.6	Confident	5 Å²	5	43.8 Å²	43.8	3%	0.026	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-78.1	-10.8	175.1	-66.5	-176.8	0	0	0	113.7	M119 I177 L178 F181 W467 V496 D497 V501 A505	M119-L499 HydrophobicContact CE-CD2 4.29Å; I177-L499 HydrophobicContact CG2-CD1 4.35Å; L178-L499 HydrophobicContact CD2-CD1 3.62Å; F181-L499 HydrophobicContact CB-CD1 4.33Å; F181-L499 HydrophobicContact CB-CD2 4.12Å; F181-L499 HydrophobicContact CD1-CD2 3.82Å; F181-L499 HydrophobicContact CD2-CD2 3.38Å; F181-L499 HydrophobicContact CE1-CD2 4.01Å; F181-L499 HydrophobicContact CE2-CD2 3.61Å; F181-L499 HydrophobicContact CG-CD1 4.44Å; F181-L499 HydrophobicContact CG-CD2 3.49Å; F181-L499 VanDerWaalsContact CG-CD2 3.49Å; F181-L499 HydrophobicContact CZ-CD2 3.91Å; W467-L499 HydrophobicContact CZ3-CD1 4.23Å; V496-L499 HydrophobicContact CB-CD1 4.46Å; V496-L499 HydrophobicContact CG1-CB 4.44Å; V496-L499 HydrophobicContact CG1-CD1 3.69Å; V496-L499 HydrophobicContact CG1-CG 3.78Å; V496-L499 PolarHBondContact O-N 3.32Å; V496-L499 VanDerWaalsContact O-N 3.09Å; D497-L499 PolarHBondContact O-N 3.43Å; D497-L499 VanDerWaalsContact O-N 3.1Å; L499-V501 VanDerWaalsContact C-N 3.34Å; L499-A505 WeakPolarHBondContact O-CB 3.43Å
500	Q	93.1	Very high	87.3	Confident	10 Å²	10	42.2 Å²	42.2	5%	0.047	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-90.3	-5.3	171.2	-55.8	-55.8	-41	0	0	112	W167 Y168 F262 D497 F498 P502	W167-Q500 PolarHBondContact NE1-O 3.28Å; Y168-Q500 HydrophobicContact CD1-CB 3.77Å; Y168-Q500 HydrophobicContact CD1-CG 4.15Å; Y168-Q500 HydrophobicContact CE1-CB 3.93Å; Y168-Q500 HydrophobicContact CG-CB 4.38Å; F262-Q500 VanDerWaalsContact CE1-O 3.31Å; F262-Q500 WeakPolarHBondContact CE1-O 3.41Å; D497-Q500 WeakPolarHBondContact O-CB 3.43Å; D497-Q500 PolarHBondContact O-N 2.96Å; F498-Q500 VanDerWaalsContact C-N 3.27Å; F498-Q500 PolarHBondContact O-N 2.95Å; Q500-P502 VanDerWaalsContact O-CD 3.31Å; Q500-P502 WeakPolarHBondContact O-CD 3.46Å
501	V	94.3	Very high	88.5	Confident	12 Å²	12	33.4 Å²	33.4	7%	0.073	16%	0.156	C	C	.	.	S	Bend	trans	-85.1	108.4	167.4	-176.8	0	0	0	0	107.9	F262 W474 F498 L499 R503 I504 A505	F262-V501 HydrophobicContact CD1-CG2 4.12Å; W474-V501 HydrophobicContact CH2-CG2 4.2Å; W474-V501 HydrophobicContact CZ2-CG2 3.88Å; F498-V501 WeakPolarHBondContact O-CB 3.35Å; F498-V501 PolarHBondContact O-N 2.94Å; L499-V501 VanDerWaalsContact C-N 3.34Å; V501-R503 VanDerWaalsContact C-N 3.31Å; V501-R503 PolarHBondContact O-N 3.34Å; V501-R503 VanDerWaalsContact O-N 3.15Å; V501-I504 HydrophobicContact CB-CB 4.26Å; V501-I504 HydrophobicContact CB-CG1 4.02Å; V501-I504 HydrophobicContact CG1-CB 4.5Å; V501-I504 HydrophobicContact CG1-CG1 3.86Å; V501-I504 PolarHBondContact O-N 3.24Å; V501-A505 PolarHBondContact O-N 3.38Å
502	P	93.7	Very high	89.8	Confident	5 Å²	5	28.6 Å²	28.6	3%	0.032	13%	0.132	C	C	.	.	H	α-helix	trans	-57.3	-40.1	-165.7	-28.2	34.5	0	0	0	114.5	V122 Y123 L143 F262 Q500 I504 A505 I506	V122-P502 HydrophobicContact CG1-CB 3.91Å; V122-P502 HydrophobicContact CG2-CG 4.49Å; Y123-P502 HydrophobicContact CD1-CB 3.91Å; Y123-P502 HydrophobicContact CD1-CG 4.37Å; Y123-P502 HydrophobicContact CD2-CB 4.25Å; Y123-P502 HydrophobicContact CE1-CB 3.36Å; Y123-P502 HydrophobicContact CE1-CG 4.07Å; Y123-P502 HydrophobicContact CE2-CB 3.74Å; Y123-P502 HydrophobicContact CG-CB 4.32Å; L143-P502 HydrophobicContact CD2-CG 3.47Å; L143-P502 VanDerWaalsContact CD2-CG 3.47Å; F262-P502 HydrophobicContact CE2-CG 4.49Å; F262-P502 VanDerWaalsContact CZ-CD 3.48Å; F262-P502 HydrophobicContact CZ-CG 4.03Å; Q500-P502 VanDerWaalsContact O-CD 3.31Å; Q500-P502 WeakPolarHBondContact O-CD 3.46Å; P502-I504 VanDerWaalsContact C-N 3.28Å; P502-I504 PolarHBondContact O-N 3.39Å; P502-A505 WeakPolarHBondContact O-CB 3.5Å; P502-A505 PolarHBondContact O-N 3.41Å; P502-I506 WeakPolarHBondContact O-CG1 3.5Å; P502-I506 PolarHBondContact O-N 2.94Å
503	R	94.2	Very high	91.2	Very high	32 Å²	32	22.5 Å²	22.5	12%	0.121	10%	0.099	C	C	.	.	H	α-helix	trans	-66.8	-30.7	-179.5	-59.7	179.2	71.1	-170.5	2.1	112.3	V501 L507 E508 I510 E513	V501-R503 VanDerWaalsContact C-N 3.31Å; V501-R503 PolarHBondContact O-N 3.34Å; V501-R503 VanDerWaalsContact O-N 3.15Å; R503-L507 PolarHBondContact O-N 2.91Å; R503-E508 HydrophobicContact CB-CB 4.11Å; R503-E508 IonicContact CZ-OE1 3.48Å; R503-E508 IonicContact NE-OE1 3.72Å; R503-E508 PolarHBondContact NE-OE1 3.09Å; R503-E508 IonicContact NE-OE2 3.49Å; R503-E508 IonicContact NH2-OE1 3.66Å; R503-E508 PolarHBondContact NH2-OE1 2.75Å; R503-E508 WeakPolarHBondContact O-CB 3.48Å; R503-E508 PolarHBondContact O-N 3.09Å; R503-I510 HydrophobicContact CB-CD1 3.53Å; R503-I510 HydrophobicContact CG-CD1 4.31Å; R503-I510 VanDerWaalsContact NE-CD1 3.31Å; R503-E513 IonicContact CZ-OE1 2.92Å; R503-E513 IonicContact NH1-OE1 3.24Å; R503-E513 PolarHBondContact NH1-OE1 3.33Å; R503-E513 IonicContact NH2-OE1 3.54Å; R503-E513 PolarHBondContact NH2-OE1 2.65Å
504	I	95.2	Very high	92.5	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-76.4	-42.5	174.6	-56.3	-55.6	0	0	0	111	F181 V448 W451 L452 W474 F498 V501 P502 I506 L507 I510	F181-I504 WeakPolarHBondContact CE2-O 3.41Å; V448-I504 HydrophobicContact CG1-CD1 3.43Å; V448-I504 VanDerWaalsContact CG1-CD1 3.43Å; V448-I504 HydrophobicContact CG1-CG1 4.18Å; W451-I504 HydrophobicContact CZ3-CG2 3.97Å; L452-I504 HydrophobicContact CD2-CD1 4.03Å; W474-I504 HydrophobicContact CH2-CG1 4.23Å; W474-I504 HydrophobicContact CZ3-CG1 4.24Å; F498-I504 HydrophobicContact CB-CG2 4.33Å; F498-I504 HydrophobicContact CD2-CG2 3.93Å; F498-I504 WeakPolarHBondContact O-CB 3.39Å; V501-I504 HydrophobicContact CB-CB 4.26Å; V501-I504 HydrophobicContact CB-CG1 4.02Å; V501-I504 HydrophobicContact CG1-CB 4.5Å; V501-I504 HydrophobicContact CG1-CG1 3.86Å; V501-I504 PolarHBondContact O-N 3.24Å; P502-I504 VanDerWaalsContact C-N 3.28Å; P502-I504 PolarHBondContact O-N 3.39Å; I504-I506 PolarHBondContact O-N 3.5Å; I504-I506 VanDerWaalsContact O-N 3.1Å; I504-L507 PolarHBondContact O-N 3.04Å; I504-I510 HydrophobicContact CD1-CG1 3.93Å
505	A	94.6	Very high	93.6	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-55.5	-29.8	177	0	0	0	0	0	113.1	M119 V122 M184 L499 V501 P502	M119-A505 WeakPolarHBondContact CB-O 3.44Å; M119-A505 HydrophobicContact CE-CB 4.05Å; V122-A505 HydrophobicContact CB-CB 4.4Å; V122-A505 HydrophobicContact CG1-CB 3.96Å; M184-A505 WeakPolarHBondContact CE-O 3.21Å; L499-A505 WeakPolarHBondContact O-CB 3.43Å; V501-A505 PolarHBondContact O-N 3.38Å; P502-A505 WeakPolarHBondContact O-CB 3.5Å; P502-A505 PolarHBondContact O-N 3.41Å
506	I	94.6	Very high	94.3	Very high	31 Å²	31	11.4 Å²	11.4	16%	0.159	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	10.6	178.7	71	163.6	0	0	0	114.3	F120 Y123 P502 I504 E508	F120-I506 HydrophobicContact CB-CG2 4.29Å; F120-I506 HydrophobicContact CD2-CD1 4.25Å; F120-I506 HydrophobicContact CD2-CG2 3.85Å; F120-I506 HydrophobicContact CE2-CD1 4.12Å; F120-I506 HydrophobicContact CG-CG2 4.45Å; Y123-I506 HydrophobicContact CE2-CD1 4.09Å; Y123-I506 HydrophobicContact CE2-CG2 4.41Å; P502-I506 WeakPolarHBondContact O-CG1 3.5Å; P502-I506 PolarHBondContact O-N 2.94Å; I504-I506 PolarHBondContact O-N 3.5Å; I504-I506 VanDerWaalsContact O-N 3.1Å; I506-E508 VanDerWaalsContact C-N 3.34Å; I506-E508 HydrophobicContact CD1-CB 4.43Å; I506-E508 HydrophobicContact CG1-CB 4.22Å; I506-E508 PolarHBondContact O-N 3.03Å
507	L	95.3	Very high	94.5	Very high	10 Å²	10	11.9 Å²	11.9	5%	0.052	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	43	-178.5	-67.3	171.3	0	0	0	114.6	F181 M184 V185 Y188 W204 L452 L456 R503 I504	F181-L507 HydrophobicContact CE2-CD2 4.07Å; F181-L507 HydrophobicContact CE2-CG 4.18Å; F181-L507 HydrophobicContact CZ-CD2 4.03Å; M184-L507 HydrophobicContact CE-CB 4.35Å; M184-L507 HydrophobicContact CE-CD1 3.59Å; M184-L507 HydrophobicContact CE-CG 3.59Å; M184-L507 HydrophobicContact CG-CD1 4.09Å; M184-L507 HydrophobicContact SD-CD1 4.32Å; V185-L507 HydrophobicContact CB-CD1 4.41Å; V185-L507 HydrophobicContact CG2-CD1 3.72Å; V185-L507 HydrophobicContact CG2-CD2 4.02Å; V185-L507 HydrophobicContact CG2-CG 4.3Å; Y188-L507 HydrophobicContact CD2-CD1 3.76Å; Y188-L507 HydrophobicContact CE2-CD1 4.32Å; Y188-L507 HydrophobicContact CG-CD1 4.44Å; W204-L507 WeakPolarHBondContact CZ2-O 3.48Å; L452-L507 HydrophobicContact CD1-CD2 4.22Å; L456-L507 HydrophobicContact CD2-CD2 3.97Å; R503-L507 PolarHBondContact O-N 2.91Å; I504-L507 PolarHBondContact O-N 3.04Å
508	E	93.7	Very high	94.6	Very high	15 Å²	15	12.8 Å²	12.8	7%	0.07	7%	0.067	C	C	.	.			trans	-76.3	132.2	174.4	-169.4	176.4	140.2	0	0	111.3	R334 R503 I506 I510 R512	R334-E508 IonicContact CZ-OE2 3.83Å; R334-E508 IonicContact NH1-OE2 2.84Å; R334-E508 PolarHBondContact NH1-OE2 3.35Å; R334-E508 VanDerWaalsContact NH2-CD 3.34Å; R334-E508 IonicContact NH2-OE1 3.83Å; R334-E508 PolarHBondContact NH2-OE1 3.5Å; R334-E508 IonicContact NH2-OE2 3.62Å; R334-E508 PolarHBondContact NH2-OE2 3.02Å; R503-E508 HydrophobicContact CB-CB 4.11Å; R503-E508 IonicContact CZ-OE1 3.48Å; R503-E508 IonicContact NE-OE1 3.72Å; R503-E508 PolarHBondContact NE-OE1 3.09Å; R503-E508 IonicContact NE-OE2 3.49Å; R503-E508 IonicContact NH2-OE1 3.66Å; R503-E508 PolarHBondContact NH2-OE1 2.75Å; R503-E508 WeakPolarHBondContact O-CB 3.48Å; R503-E508 PolarHBondContact O-N 3.09Å; I506-E508 VanDerWaalsContact C-N 3.34Å; I506-E508 HydrophobicContact CD1-CB 4.43Å; I506-E508 HydrophobicContact CG1-CB 4.22Å; I506-E508 PolarHBondContact O-N 3.03Å; E508-I510 WeakPolarHBondContact O-CD1 3.45Å; E508-I510 WeakPolarHBondContact O-CG1 3.42Å; E508-I510 PolarHBondContact O-N 2.65Å; E508-I510 VanDerWaalsContact O-N 3.12Å; E508-R512 IonicContact OE1-CZ 3.02Å; E508-R512 VanDerWaalsContact OE1-CZ 3.25Å; E508-R512 IonicContact OE1-NH1 2.63Å; E508-R512 IonicContact OE1-NH2 3.04Å; E508-R512 PolarHBondContact OE1-NH2 3.45Å
509	P	93	Very high	94.6	Very high	36 Å²	36	12.8 Å²	12.8	23%	0.234	7%	0.067	C	C	.	.			trans	-67	109.4	177.2	-16.2	28.1	0	0	0	111.7	W204 R512	W204-P509 HydrophobicContact CD2-CB 4Å; W204-P509 HydrophobicContact CD2-CG 3.9Å; W204-P509 HydrophobicContact CE3-CB 4.04Å; W204-P509 HydrophobicContact CE3-CG 4.38Å; W204-P509 HydrophobicContact CG-CB 4.43Å; W204-P509 HydrophobicContact CG-CG 4.22Å; W204-P509 HydrophobicContact CH2-CG 4.45Å; W204-P509 HydrophobicContact CZ2-CG 3.99Å; W204-P509 HydrophobicContact CZ3-CB 4.31Å; P509-R512 WeakPolarHBondContact O-CG 3.35Å
510	I	94.3	Very high	94.7	Very high	7 Å²	7	12.7 Å²	12.7	4%	0.036	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-27	-174	-55.7	-57.9	0	0	0	112.8	A445 V448 R503 I504 E508 R512 E513	A445-I510 HydrophobicContact CB-CG2 3.99Å; V448-I510 HydrophobicContact CB-CG2 4.34Å; V448-I510 HydrophobicContact CG1-CB 4.17Å; V448-I510 HydrophobicContact CG1-CG1 3.82Å; V448-I510 HydrophobicContact CG1-CG2 4.09Å; R503-I510 HydrophobicContact CB-CD1 3.53Å; R503-I510 HydrophobicContact CG-CD1 4.31Å; R503-I510 VanDerWaalsContact NE-CD1 3.31Å; I504-I510 HydrophobicContact CD1-CG1 3.93Å; E508-I510 WeakPolarHBondContact O-CD1 3.45Å; E508-I510 WeakPolarHBondContact O-CG1 3.42Å; E508-I510 PolarHBondContact O-N 2.65Å; E508-I510 VanDerWaalsContact O-N 3.12Å; I510-R512 PolarHBondContact O-N 3.03Å; I510-E513 WeakPolarHBondContact O-CB 3.32Å; I510-E513 PolarHBondContact O-N 3.35Å
511	G	92.7	Very high	94.8	Very high	2 Å²	2	15.2 Å²	15.2	2%	0.021	8%	0.076	C	C	.	.	H	α-helix	trans	-55.1	-21.7	179.8	0	0	0	0	0	114.7	D449 E513 F514 F515	D449-G511 VanDerWaalsContact CG-CA 3.41Å; D449-G511 VanDerWaalsContact CG-N 3.32Å; D449-G511 PolarHBondContact OD1-N 3.41Å; D449-G511 WeakPolarHBondContact OD2-CA 3.37Å; G511-E513 PolarHBondContact O-N 2.93Å; G511-F514 PolarHBondContact O-N 3.42Å; G511-F515 PolarHBondContact O-N 3.36Å
512	R	94.2	Very high	94.7	Very high	44 Å²	44	17.3 Å²	17.3	17%	0.166	9%	0.085	C	C	.	.	H	α-helix	trans	-62	-28.6	173	82.4	177.8	-164.9	-152.5	-7.7	113.3	Y208 P391 D395 E508 P509 I510 S516	Y208-R512 VanDerWaalsContact OH-CA 3.28Å; Y208-R512 WeakPolarHBondContact OH-CA 3.48Å; Y208-R512 WeakPolarHBondContact OH-CB 3.45Å; P391-R512 HydrophobicContact CB-CB 4.32Å; D395-R512 IonicContact OD2-NE 3.85Å; E508-R512 IonicContact OE1-CZ 3.02Å; E508-R512 VanDerWaalsContact OE1-CZ 3.25Å; E508-R512 IonicContact OE1-NH1 2.63Å; E508-R512 IonicContact OE1-NH2 3.04Å; E508-R512 PolarHBondContact OE1-NH2 3.45Å; P509-R512 WeakPolarHBondContact O-CG 3.35Å; I510-R512 PolarHBondContact O-N 3.03Å; R512-S516 WeakPolarHBondContact O-CB 3.04Å; R512-S516 PolarHBondContact O-N 3.46Å; R512-S516 PolarHBondContact O-OG 2.98Å
513	E	95.7	Very high	94.6	Very high	19 Å²	19	17.5 Å²	17.5	9%	0.089	9%	0.086	C	C	.	.	H	α-helix	trans	-69.2	-41.4	178.7	-65.8	-45.4	139.9	0	0	111.5	K399 A445 R503 I510 G511 S516 T517	K399-E513 IonicContact NZ-OE2 2.66Å; K399-E513 PolarHBondContact NZ-OE2 2.92Å; A445-E513 HydrophobicContact CB-CB 3.89Å; R503-E513 IonicContact CZ-OE1 2.92Å; R503-E513 IonicContact NH1-OE1 3.24Å; R503-E513 PolarHBondContact NH1-OE1 3.33Å; R503-E513 IonicContact NH2-OE1 3.54Å; R503-E513 PolarHBondContact NH2-OE1 2.65Å; I510-E513 WeakPolarHBondContact O-CB 3.32Å; I510-E513 PolarHBondContact O-N 3.35Å; G511-E513 PolarHBondContact O-N 2.93Å; E513-S516 WeakPolarHBondContact CA-OG 3.26Å; E513-S516 PolarHBondContact O-OG 2.89Å; E513-S516 VanDerWaalsContact O-OG 3.06Å; E513-T517 VanDerWaalsContact O-CB 3.31Å; E513-T517 WeakPolarHBondContact O-CB 3.31Å; E513-T517 PolarHBondContact O-N 2.98Å; E513-T517 VanDerWaalsContact O-N 3.11Å; E513-T517 PolarHBondContact O-OG1 3.08Å
514	F	96.2	Very high	94.4	Very high	2 Å²	2	16.4 Å²	16.4	1%	0.009	8%	0.082	C	C	.	.	H	α-helix	trans	-61.8	-49.3	174.7	-166.2	-72.4	0	0	0	110.1	W221 A222 L229 M442 A445 F446 G511 T517 A518	W221-F514 AromaticContact CH2-CD1 3.81Å; W221-F514 HydrophobicContact CH2-CD1 3.81Å; W221-F514 AromaticContact CH2-CE1 3.94Å; W221-F514 HydrophobicContact CH2-CE1 3.94Å; W221-F514 AromaticContact CZ3-CD1 3.57Å; W221-F514 HydrophobicContact CZ3-CD1 3.57Å; W221-F514 AromaticContact CZ3-CE1 3.94Å; W221-F514 HydrophobicContact CZ3-CE1 3.94Å; A222-F514 HydrophobicContact CB-CD1 4.31Å; L229-F514 HydrophobicContact CD1-CE2 4.48Å; L229-F514 HydrophobicContact CD1-CZ 4Å; M442-F514 HydrophobicContact CB-CD2 4.06Å; M442-F514 HydrophobicContact CB-CE2 4.09Å; M442-F514 HydrophobicContact CE-CD1 3.98Å; M442-F514 HydrophobicContact CE-CD2 4.34Å; M442-F514 HydrophobicContact CE-CE1 3.76Å; M442-F514 HydrophobicContact CE-CE2 4.15Å; M442-F514 HydrophobicContact CE-CG 4.27Å; M442-F514 HydrophobicContact CE-CZ 3.86Å; M442-F514 WeakPolarHBondContact O-CD2 3.32Å; A445-F514 HydrophobicContact CB-CB 4.38Å; F446-F514 HydrophobicContact CB-CD2 3.73Å; F446-F514 HydrophobicContact CB-CE2 3.89Å; F446-F514 HydrophobicContact CG-CE2 4.5Å; G511-F514 PolarHBondContact O-N 3.42Å; F514-T517 PolarHBondContact O-N 2.92Å; F514-A518 PolarHBondContact O-N 2.92Å; F514-A518 VanDerWaalsContact O-N 3.1Å
515	F	95.3	Very high	94.2	Very high	6 Å²	6	21.2 Å²	21.2	3%	0.026	10%	0.104	C	C	.	.	H	α-helix	trans	-61.7	-52.9	-179.7	-173.6	-86.5	0	0	0	112.5	Y208 F216 L218 W221 N390 M393 G511 T517 A518 V519	Y208-F515 HydrophobicContact CD1-CD2 4.4Å; Y208-F515 HydrophobicContact CD1-CE2 4.41Å; Y208-F515 HydrophobicContact CE1-CB 4.36Å; Y208-F515 HydrophobicContact CE1-CD1 4.11Å; Y208-F515 HydrophobicContact CE1-CD2 4.15Å; Y208-F515 HydrophobicContact CE1-CE1 4.43Å; Y208-F515 HydrophobicContact CE1-CE2 4.49Å; Y208-F515 AromaticContact CE1-CG 3.94Å; Y208-F515 HydrophobicContact CE1-CG 3.94Å; F216-F515 HydrophobicContact CZ-CD2 4.37Å; F216-F515 AromaticContact CZ-CE2 3.89Å; F216-F515 HydrophobicContact CZ-CE2 3.89Å; L218-F515 HydrophobicContact CD1-CB 3.84Å; L218-F515 HydrophobicContact CD1-CD2 3.84Å; L218-F515 HydrophobicContact CD1-CG 4.24Å; W221-F515 HydrophobicContact CE3-CD2 4.1Å; W221-F515 HydrophobicContact CH2-CD2 4.17Å; W221-F515 HydrophobicContact CZ3-CB 4.13Å; W221-F515 AromaticContact CZ3-CD2 3.77Å; W221-F515 HydrophobicContact CZ3-CD2 3.77Å; W221-F515 HydrophobicContact CZ3-CG 4.37Å; N390-F515 WeakPolarHBondContact OD1-CE1 3.16Å; M393-F515 HydrophobicContact CG-CE1 4.35Å; M393-F515 HydrophobicContact SD-CE1 3.94Å; G511-F515 PolarHBondContact O-N 3.36Å; F515-T517 PolarHBondContact O-N 3.43Å; F515-A518 PolarHBondContact O-N 2.9Å; F515-V519 HydrophobicContact CD1-CG2 3.9Å; F515-V519 HydrophobicContact CE1-CG2 3.53Å; F515-V519 HydrophobicContact CE2-CG2 4.41Å; F515-V519 HydrophobicContact CZ-CG2 3.81Å; F515-V519 WeakPolarHBondContact O-CG2 3.44Å; F515-V519 PolarHBondContact O-N 2.98Å
516	S	96.2	Very high	93.9	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-58.8	-37.2	-178.3	56.4	0	0	0	0	112.4	G392 K399 R512 E513 S520	G392-S516 WeakPolarHBondContact O-CA 3.32Å; G392-S516 WeakPolarHBondContact O-CB 3.45Å; K399-S516 PolarHBondContact NZ-OG 3.14Å; R512-S516 WeakPolarHBondContact O-CB 3.04Å; R512-S516 PolarHBondContact O-N 3.46Å; R512-S516 PolarHBondContact O-OG 2.98Å; E513-S516 WeakPolarHBondContact CA-OG 3.26Å; E513-S516 PolarHBondContact O-OG 2.89Å; E513-S516 VanDerWaalsContact O-OG 3.06Å; S516-S520 WeakPolarHBondContact O-CB 3.34Å; S516-S520 PolarHBondContact O-N 3.18Å; S516-S520 PolarHBondContact O-OG 2.94Å
517	T	96.5	Very high	93.5	Very high	13 Å²	13	22.7 Å²	22.7	8%	0.08	11%	0.112	C	C	.	.	H	α-helix	trans	-70.7	-44.3	178.4	-52.1	0	0	0	0	111	K399 T438 M442 E513 F514 F515 V519 S520 Y521	K399-T517 PolarHBondContact NZ-OG1 3.36Å; T438-T517 HydrophobicContact CG2-CG2 3.68Å; M442-T517 HydrophobicContact CG-CG2 3.72Å; M442-T517 HydrophobicContact SD-CG2 3.58Å; M442-T517 VanDerWaalsContact SD-CG2 3.58Å; E513-T517 VanDerWaalsContact O-CB 3.31Å; E513-T517 WeakPolarHBondContact O-CB 3.31Å; E513-T517 PolarHBondContact O-N 2.98Å; E513-T517 VanDerWaalsContact O-N 3.11Å; E513-T517 PolarHBondContact O-OG1 3.08Å; F514-T517 PolarHBondContact O-N 2.92Å; F515-T517 PolarHBondContact O-N 3.43Å; T517-V519 VanDerWaalsContact C-N 3.34Å; T517-V519 PolarHBondContact O-N 2.99Å; T517-S520 PolarHBondContact O-N 3.48Å; T517-S520 PolarHBondContact O-OG 3.43Å; T517-Y521 HydrophobicContact CG2-CE2 4.32Å; T517-Y521 WeakPolarHBondContact O-CD2 3.25Å; T517-Y521 PolarHBondContact O-N 3.34Å
518	A	95.7	Very high	93.1	Very high	20 Å²	20	22.7 Å²	22.7	17%	0.165	11%	0.113	C	C	.	.	H	α-helix	trans	-61.5	-44.3	175.3	0	0	0	0	0	111.9	W221 M442 F514 F515 S520 Y521 Q522	W221-A518 HydrophobicContact CH2-CB 3.49Å; W221-A518 VanDerWaalsContact CH2-CB 3.49Å; W221-A518 HydrophobicContact CZ2-CB 3.77Å; M442-A518 HydrophobicContact CE-CB 4.13Å; F514-A518 PolarHBondContact O-N 2.92Å; F514-A518 VanDerWaalsContact O-N 3.1Å; F515-A518 PolarHBondContact O-N 2.9Å; A518-S520 VanDerWaalsContact C-N 3.31Å; A518-S520 PolarHBondContact O-N 3.07Å; A518-Y521 PolarHBondContact O-N 3.2Å; A518-Q522 PolarHBondContact O-N 2.92Å
519	V	93.9	Very high	92.6	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-67.2	-33.4	178.8	177.1	0	0	0	0	111.7	M393 F515 T517 Y521 Q522 L523 F567 L569	M393-V519 HydrophobicContact CE-CG1 3.82Å; M393-V519 HydrophobicContact SD-CB 4.41Å; M393-V519 HydrophobicContact SD-CG1 3.68Å; M393-V519 HydrophobicContact SD-CG2 4.33Å; F515-V519 HydrophobicContact CD1-CG2 3.9Å; F515-V519 HydrophobicContact CE1-CG2 3.53Å; F515-V519 HydrophobicContact CE2-CG2 4.41Å; F515-V519 HydrophobicContact CZ-CG2 3.81Å; F515-V519 WeakPolarHBondContact O-CG2 3.44Å; F515-V519 PolarHBondContact O-N 2.98Å; T517-V519 VanDerWaalsContact C-N 3.34Å; T517-V519 PolarHBondContact O-N 2.99Å; V519-Y521 VanDerWaalsContact C-N 3.26Å; V519-Y521 PolarHBondContact O-N 3.47Å; V519-Q522 WeakPolarHBondContact O-CB 3.17Å; V519-Q522 PolarHBondContact O-N 2.94Å; V519-L523 HydrophobicContact CG1-CD1 4.16Å; V519-L523 HydrophobicContact CG1-CG 4.08Å; V519-L523 PolarHBondContact O-N 3.26Å; V519-F567 HydrophobicContact CG1-CD1 4.23Å; V519-F567 HydrophobicContact CG1-CE1 3.88Å; V519-F567 HydrophobicContact CG1-CZ 4.28Å; V519-F567 HydrophobicContact CG2-CD1 4.44Å; V519-L569 HydrophobicContact CG2-CD2 3.9Å
520	S	95.6	Very high	92	Very high	3 Å²	3	25.4 Å²	25.4	2%	0.021	13%	0.128	C	C	.	.	H	α-helix	trans	-62.5	-33.7	177.5	67.1	0	0	0	0	112.8	S396 K399 A400 S516 T517 A518 F524	S396-S520 VanDerWaalsContact O-CB 3.32Å; S396-S520 WeakPolarHBondContact O-CB 3.3Å; K399-S520 VanDerWaalsContact CB-CB 3.42Å; A400-S520 VanDerWaalsContact CB-O 3.3Å; A400-S520 WeakPolarHBondContact CB-O 3.4Å; S516-S520 WeakPolarHBondContact O-CB 3.34Å; S516-S520 PolarHBondContact O-N 3.18Å; S516-S520 PolarHBondContact O-OG 2.94Å; T517-S520 PolarHBondContact O-N 3.48Å; T517-S520 PolarHBondContact O-OG 3.43Å; A518-S520 VanDerWaalsContact C-N 3.31Å; A518-S520 PolarHBondContact O-N 3.07Å; S520-F524 VanDerWaalsContact O-CB 3.24Å; S520-F524 WeakPolarHBondContact O-CB 3.49Å; S520-F524 PolarHBondContact O-N 2.97Å
521	Y	94.9	Very high	91.2	Very high	63 Å²	63	25.3 Å²	25.3	25%	0.247	13%	0.127	C	C	.	.	H	α-helix	trans	-69.1	-34	172.7	-82.1	-92.1	0	0	0	112.5	L403 T438 T517 A518 V519 F524 E525 F539	L403-Y521 HydrophobicContact CD1-CD1 4.12Å; L403-Y521 HydrophobicContact CD1-CD2 4.04Å; L403-Y521 HydrophobicContact CD1-CE1 4.08Å; L403-Y521 HydrophobicContact CD1-CE2 3.97Å; L403-Y521 HydrophobicContact CD1-CG 4.11Å; L403-Y521 HydrophobicContact CD2-CE1 4.35Å; L403-Y521 HydrophobicContact CD2-CE2 4.34Å; T438-Y521 HydrophobicContact CG2-CE2 3.51Å; T438-Y521 WeakPolarHBondContact CG2-OH 3.48Å; T438-Y521 PolarHBondContact OG1-OH 3.44Å; T517-Y521 HydrophobicContact CG2-CE2 4.32Å; T517-Y521 WeakPolarHBondContact O-CD2 3.25Å; T517-Y521 PolarHBondContact O-N 3.34Å; A518-Y521 PolarHBondContact O-N 3.2Å; V519-Y521 VanDerWaalsContact C-N 3.26Å; V519-Y521 PolarHBondContact O-N 3.47Å; Y521-F524 PolarHBondContact O-N 3.05Å; Y521-E525 WeakPolarHBondContact O-CB 3.38Å; Y521-E525 PolarHBondContact O-N 3.06Å; Y521-F539 HydrophobicContact CD1-CE1 4.2Å
522	Q	92.3	Very high	90	Very high	56 Å²	56	31.4 Å²	31.4	26%	0.262	16%	0.155	S	C	.	.	H	α-helix	trans	-71.3	-40.6	175.2	-62.5	-171.3	13.6	0	0	112.4	A518 V519 F524 E525 L526 L569	A518-Q522 PolarHBondContact O-N 2.92Å; V519-Q522 WeakPolarHBondContact O-CB 3.17Å; V519-Q522 PolarHBondContact O-N 2.94Å; Q522-F524 VanDerWaalsContact C-N 3.32Å; Q522-E525 PolarHBondContact O-N 3.49Å; Q522-L526 WeakPolarHBondContact O-CB 3.43Å; Q522-L526 PolarHBondContact O-N 2.93Å; Q522-L569 VanDerWaalsContact CD-CD2 3.5Å; Q522-L569 VanDerWaalsContact OE1-CD2 3.28Å
523	L	91.4	Very high	88.6	Confident	8 Å²	8	34 Å²	34	4%	0.042	18%	0.178	C	C	.	.	H	α-helix	trans	-63.1	-42.2	172.2	-71.1	177	0	0	0	110.7	M393 S396 A400 V519 L526 F527 F567	M393-L523 HydrophobicContact CE-CD1 4.49Å; S396-L523 WeakPolarHBondContact OG-CD1 3.27Å; A400-L523 HydrophobicContact CB-CB 3.73Å; A400-L523 HydrophobicContact CB-CD1 4.49Å; V519-L523 HydrophobicContact CG1-CD1 4.16Å; V519-L523 HydrophobicContact CG1-CG 4.08Å; V519-L523 PolarHBondContact O-N 3.26Å; L523-L526 WeakPolarHBondContact O-CB 3.32Å; L523-L526 PolarHBondContact O-N 3.3Å; L523-F527 HydrophobicContact CB-CE2 4.23Å; L523-F527 HydrophobicContact CB-CZ 4.28Å; L523-F527 VanDerWaalsContact O-CD2 3.24Å; L523-F527 WeakPolarHBondContact O-CD2 3.25Å; L523-F527 WeakPolarHBondContact O-CG 3.33Å; L523-F527 PolarHBondContact O-N 3.41Å; L523-F567 HydrophobicContact CD2-CE2 4.37Å; L523-F567 HydrophobicContact CD2-CZ 4.29Å
524	F	91.5	Very high	86.7	Confident	10 Å²	10	42.3 Å²	42.3	4%	0.044	21%	0.214	C	C	.	.	H	α-helix	trans	-61.4	-45.5	175.4	-177.2	-123.2	0	0	0	111.4	A400 L403 A404 S520 Y521 Q522 L526 F527 C528 F539 C542 I544	A400-F524 HydrophobicContact CB-CB 4.41Å; L403-F524 HydrophobicContact CB-CD1 4.32Å; L403-F524 HydrophobicContact CB-CD2 4.28Å; L403-F524 HydrophobicContact CB-CG 4.18Å; L403-F524 HydrophobicContact CD1-CB 4.15Å; L403-F524 HydrophobicContact CD1-CD1 4.38Å; L403-F524 HydrophobicContact CD1-CG 4.34Å; A404-F524 HydrophobicContact CB-CD2 4.11Å; A404-F524 HydrophobicContact CB-CE2 3.64Å; S520-F524 VanDerWaalsContact O-CB 3.24Å; S520-F524 WeakPolarHBondContact O-CB 3.49Å; S520-F524 PolarHBondContact O-N 2.97Å; Y521-F524 PolarHBondContact O-N 3.05Å; Q522-F524 VanDerWaalsContact C-N 3.32Å; F524-L526 VanDerWaalsContact C-N 3.34Å; F524-L526 PolarHBondContact O-N 2.67Å; F524-F527 PolarHBondContact O-N 3.39Å; F524-C528 WeakPolarHBondContact O-CB 3.41Å; F524-C528 PolarHBondContact O-N 3.05Å; F524-C528 PolarHBondContact O-SG 3.18Å; F524-F539 HydrophobicContact CD1-CD2 4.33Å; F524-F539 HydrophobicContact CD1-CE1 4.18Å; F524-F539 AromaticContact CD1-CE2 3.48Å; F524-F539 HydrophobicContact CD1-CE2 3.48Å; F524-F539 VanDerWaalsContact CD1-CE2 3.48Å; F524-F539 AromaticContact CD1-CZ 3.42Å; F524-F539 HydrophobicContact CD1-CZ 3.42Å; F524-F539 VanDerWaalsContact CD1-CZ 3.42Å; F524-F539 HydrophobicContact CE1-CD2 4.16Å; F524-F539 HydrophobicContact CE1-CE1 4.44Å; F524-F539 AromaticContact CE1-CE2 3.75Å; F524-F539 HydrophobicContact CE1-CE2 3.75Å; F524-F539 AromaticContact CE1-CZ 3.94Å; F524-F539 HydrophobicContact CE1-CZ 3.94Å; F524-F539 WeakPolarHBondContact CE1-O 3.27Å; F524-F539 HydrophobicContact CG-CE2 4.35Å; F524-F539 HydrophobicContact CG-CZ 4.4Å; F524-C542 HydrophobicContact CE1-CB 4.38Å; F524-C542 HydrophobicContact CE2-CB 4.23Å; F524-C542 HydrophobicContact CZ-CB 3.7Å; F524-I544 HydrophobicContact CD2-CG2 4.46Å; F524-I544 HydrophobicContact CE2-CG2 4.15Å
525	E	89.9	Confident	85	Confident	101 Å²	101	45.6 Å²	45.6	47%	0.472	23%	0.229	S	C	.	.	H	α-helix	trans	-58.3	-42.3	172.7	-177.1	178.5	-154	0	0	112.9	Y521 Q522 C528 N529 F539	Y521-E525 WeakPolarHBondContact O-CB 3.38Å; Y521-E525 PolarHBondContact O-N 3.06Å; Q522-E525 PolarHBondContact O-N 3.49Å; E525-C528 PolarHBondContact O-N 2.87Å; E525-N529 WeakPolarHBondContact O-CB 3.26Å; E525-N529 PolarHBondContact O-N 3.3Å; E525-N529 PolarHBondContact O-ND2 3.26Å; E525-F539 HydrophobicContact CB-CE2 3.87Å; E525-F539 HydrophobicContact CB-CZ 4.06Å; E525-F539 HydrophobicContact CG-CE2 4.44Å
526	L	87.7	Confident	83.4	Confident	61 Å²	61	52.4 Å²	52.4	32%	0.319	25%	0.254	S	S	.	.	H	α-helix	trans	-60	-46.6	174.9	179.8	66.8	0	0	0	111.4	Q522 L523 F524 C528 N529 S530 V554	Q522-L526 WeakPolarHBondContact O-CB 3.43Å; Q522-L526 PolarHBondContact O-N 2.93Å; L523-L526 WeakPolarHBondContact O-CB 3.32Å; L523-L526 PolarHBondContact O-N 3.3Å; F524-L526 VanDerWaalsContact C-N 3.34Å; F524-L526 PolarHBondContact O-N 2.67Å; L526-C528 VanDerWaalsContact C-N 3.35Å; L526-C528 PolarHBondContact O-N 3.46Å; L526-N529 PolarHBondContact O-N 3.09Å; L526-S530 WeakPolarHBondContact O-CB 3.36Å; L526-S530 PolarHBondContact O-N 2.6Å; L526-S530 PolarHBondContact O-OG 3.02Å; L526-V554 HydrophobicContact CD2-CG2 3.79Å
527	F	87.8	Confident	82.2	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-61	-44.4	176.4	-58.5	-30.2	0	0	0	111.3	F308 L397 A400 V401 L523 F524 N529 S530 T531 I544 I547 V554	F308-F527 HydrophobicContact CZ-CZ 4.46Å; L397-F527 HydrophobicContact CD1-CE2 4.5Å; L397-F527 HydrophobicContact CD1-CZ 3.97Å; A400-F527 HydrophobicContact CB-CD2 4.45Å; A400-F527 HydrophobicContact CB-CE2 3.84Å; V401-F527 HydrophobicContact CG2-CE2 4.37Å; L523-F527 HydrophobicContact CB-CE2 4.23Å; L523-F527 HydrophobicContact CB-CZ 4.28Å; L523-F527 VanDerWaalsContact O-CD2 3.24Å; L523-F527 WeakPolarHBondContact O-CD2 3.25Å; L523-F527 WeakPolarHBondContact O-CG 3.33Å; L523-F527 PolarHBondContact O-N 3.41Å; F524-F527 PolarHBondContact O-N 3.39Å; F527-N529 PolarHBondContact O-N 2.83Å; F527-S530 WeakPolarHBondContact O-CB 3.4Å; F527-S530 PolarHBondContact O-N 2.76Å; F527-T531 WeakPolarHBondContact O-CG2 3.4Å; F527-T531 PolarHBondContact O-N 3.39Å; F527-I544 HydrophobicContact CB-CB 4.16Å; F527-I544 HydrophobicContact CB-CD1 4.43Å; F527-I544 HydrophobicContact CB-CG2 3.64Å; F527-I544 HydrophobicContact CD2-CD1 3.99Å; F527-I544 HydrophobicContact CG-CD1 4.5Å; F527-I547 HydrophobicContact CB-CD1 4Å; F527-I547 HydrophobicContact CD1-CD1 3.93Å; F527-I547 HydrophobicContact CG-CD1 3.96Å; F527-V554 HydrophobicContact CD1-CG2 4.36Å; F527-V554 HydrophobicContact CE1-CB 4.36Å; F527-V554 HydrophobicContact CE1-CG1 4.06Å; F527-V554 HydrophobicContact CE1-CG2 3.68Å; F527-V554 HydrophobicContact CZ-CG1 4.38Å
528	C	86.4	Confident	81.5	Confident	11 Å²	11	59.2 Å²	59.2	7%	0.074	29%	0.293	C	S	.	.	H	α-helix	trans	-62.1	-44.1	178.4	-64.2	0	0	0	0	113.1	F524 E525 L526 S530 T531 C542	F524-C528 WeakPolarHBondContact O-CB 3.41Å; F524-C528 PolarHBondContact O-N 3.05Å; F524-C528 PolarHBondContact O-SG 3.18Å; E525-C528 PolarHBondContact O-N 2.87Å; L526-C528 VanDerWaalsContact C-N 3.35Å; L526-C528 PolarHBondContact O-N 3.46Å; C528-S530 PolarHBondContact O-N 3.01Å; C528-T531 PolarHBondContact O-N 3.06Å; C528-T531 PolarHBondContact O-OG1 3.04Å; C528-C542 WeakPolarHBondContact CA-SG 3.37Å; C528-C542 HydrophobicContact CB-CB 3.9Å; C528-C542 WeakPolarHBondContact CB-SG 3.44Å; C528-C542 WeakPolarHBondContact SG-CB 3.43Å; C528-C542 CovalentContact SG-SG 2.01Å; C528-C542 PolarHBondContact SG-SG 3.25Å
529	N	83.3	Confident	81.1	Confident	89 Å²	89	62.8 Å²	62.8	48%	0.476	31%	0.305	S	S	.	.	H	α-helix	trans	-66.6	-21.7	179.2	-75.3	-34	0	0	0	113.3	E525 L526 F527 R536	E525-N529 WeakPolarHBondContact O-CB 3.26Å; E525-N529 PolarHBondContact O-N 3.3Å; E525-N529 PolarHBondContact O-ND2 3.26Å; L526-N529 PolarHBondContact O-N 3.09Å; F527-N529 PolarHBondContact O-N 2.83Å; N529-R536 PolarHBondContact O-NH2 3.42Å; N529-R536 VanDerWaalsContact O-NH2 3.14Å
530	S	80.2	Confident	80.7	Confident	19 Å²	19	63.9 Å²	63.9	13%	0.133	31%	0.311	C	S	.	.	H	α-helix	trans	-83.3	-17.4	179.8	-60.5	0	0	0	0	114	L526 F527 C528 N550	L526-S530 WeakPolarHBondContact O-CB 3.36Å; L526-S530 PolarHBondContact O-N 2.6Å; L526-S530 PolarHBondContact O-OG 3.02Å; F527-S530 WeakPolarHBondContact O-CB 3.4Å; F527-S530 PolarHBondContact O-N 2.76Å; C528-S530 PolarHBondContact O-N 3.01Å; S530-N550 WeakPolarHBondContact CA-ND2 3.34Å; S530-N550 WeakPolarHBondContact CB-ND2 3.18Å; S530-N550 WeakPolarHBondContact OG-CB 3.35Å; S530-N550 PolarHBondContact OG-ND2 2.86Å
531	T	76.5	Confident	80.2	Confident	4 Å²	4	64.1 Å²	64.1	3%	0.025	31%	0.312	C	S	.	.	S	Bend	trans	-72.4	151.8	177.5	64.6	0	0	0	0	111.2	F527 C528 Y543	F527-T531 WeakPolarHBondContact O-CG2 3.4Å; F527-T531 PolarHBondContact O-N 3.39Å; C528-T531 PolarHBondContact O-N 3.06Å; C528-T531 PolarHBondContact O-OG1 3.04Å; T531-Y543 WeakPolarHBondContact CG2-O 3.32Å
532	E	67.7	Low	79.7	Confident	131 Å²	131	61.3 Å²	61.3	61%	0.612	30%	0.302	S	S	*	.			trans	-57.5	145.5	-179.7	-75	-159.5	174.3	0	0	111.8	K534 E535	E532-K534 PolarHBondContact O-N 3.25Å; E532-E535 PolarHBondContact O-N 3.37Å
533	P	65	Low	79.1	Confident	99 Å²	99	60.3 Å²	60.3	64%	0.643	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-54.1	-26.2	-178.1	-26.9	33.8	0	0	0	115.1	E535 R536	P533-E535 VanDerWaalsContact C-N 3.26Å; P533-E535 PolarHBondContact O-N 2.85Å; P533-R536 PolarHBondContact O-N 3.24Å
534	K	57.5	Low	78.7	Confident	193 Å²	193	60 Å²	60	84%	0.839	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-71.8	-19.2	179.8	-67.6	-179.9	-176.9	169.2	0	113.4	E532	E532-K534 PolarHBondContact O-N 3.25Å
535	E	60.6	Low	78.1	Confident	71 Å²	71	60.4 Å²	60.4	33%	0.332	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-107.3	3.9	179.6	-61.1	-160.4	135.3	0	0	112.9	E532 P533 T537 Y543	E532-E535 PolarHBondContact O-N 3.37Å; P533-E535 VanDerWaalsContact C-N 3.26Å; P533-E535 PolarHBondContact O-N 2.85Å; E535-T537 VanDerWaalsContact C-N 3.31Å; E535-T537 PolarHBondContact O-N 3.31Å; E535-Y543 VanDerWaalsContact OE2-CD1 3.31Å; E535-Y543 WeakPolarHBondContact OE2-CD1 3.48Å
536	R	60.8	Low	77.1	Confident	148 Å²	148	61.7 Å²	61.7	56%	0.558	31%	0.306	S	S	*	.			trans	-68.4	90.6	174	-71.5	-174.8	-171	-174.8	-0.7	110.5	N529 P533	N529-R536 PolarHBondContact O-NH2 3.42Å; N529-R536 VanDerWaalsContact O-NH2 3.14Å; P533-R536 PolarHBondContact O-N 3.24Å
537	T	70	Confident	76.3	Confident	70 Å²	70	58.8 Å²	58.8	43%	0.429	29%	0.292	S	S	.	.			trans	-82.4	178	165.8	54.7	0	0	0	0	109.8	E535 Q541 C542	E535-T537 VanDerWaalsContact C-N 3.31Å; E535-T537 PolarHBondContact O-N 3.31Å; T537-Q541 HydrophobicContact CG2-CB 4.4Å; T537-Q541 PolarHBondContact OG1-O 3.46Å; T537-C542 WeakPolarHBondContact OG1-CA 3.47Å; T537-C542 PolarHBondContact OG1-N 3.48Å
538	N	82.9	Confident	75.3	Confident	87 Å²	87	61.1 Å²	61.1	47%	0.465	32%	0.315	S	S	.	.			trans	-55.6	152.1	168	-66	-51	0	0	0	110.1	R427 D540 Q541 C542	R427-N538 PolarHBondContact NH1-ND2 3.37Å; R427-N538 PolarHBondContact NH2-ND2 2.97Å; N538-D540 WeakPolarHBondContact CB-OD1 3.3Å; N538-D540 PolarHBondContact O-N 2.93Å; N538-Q541 CarbonylContact O-C 3.53Å; N538-Q541 WeakPolarHBondContact O-CA 3.44Å; N538-Q541 PolarHBondContact O-N 3.42Å; N538-C542 PolarHBondContact O-N 3.41Å
539	F	87.5	Confident	74.2	Confident	94 Å²	94	69.3 Å²	69.3	41%	0.412	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-53.2	-35.5	-175.7	-174.8	-124	0	0	0	112.9	Y521 F524 E525 Q541 C542	Y521-F539 HydrophobicContact CD1-CE1 4.2Å; F524-F539 HydrophobicContact CD1-CD2 4.33Å; F524-F539 HydrophobicContact CD1-CE1 4.18Å; F524-F539 AromaticContact CD1-CE2 3.48Å; F524-F539 HydrophobicContact CD1-CE2 3.48Å; F524-F539 VanDerWaalsContact CD1-CE2 3.48Å; F524-F539 AromaticContact CD1-CZ 3.42Å; F524-F539 HydrophobicContact CD1-CZ 3.42Å; F524-F539 VanDerWaalsContact CD1-CZ 3.42Å; F524-F539 HydrophobicContact CE1-CD2 4.16Å; F524-F539 HydrophobicContact CE1-CE1 4.44Å; F524-F539 AromaticContact CE1-CE2 3.75Å; F524-F539 HydrophobicContact CE1-CE2 3.75Å; F524-F539 AromaticContact CE1-CZ 3.94Å; F524-F539 HydrophobicContact CE1-CZ 3.94Å; F524-F539 WeakPolarHBondContact CE1-O 3.27Å; F524-F539 HydrophobicContact CG-CE2 4.35Å; F524-F539 HydrophobicContact CG-CZ 4.4Å; E525-F539 HydrophobicContact CB-CE2 3.87Å; E525-F539 HydrophobicContact CB-CZ 4.06Å; E525-F539 HydrophobicContact CG-CE2 4.44Å; F539-Q541 PolarHBondContact O-N 3.05Å; F539-C542 WeakPolarHBondContact O-CB 3.44Å; F539-C542 PolarHBondContact O-N 3.34Å
540	D	86.1	Confident	73.5	Confident	23 Å²	23	68.3 Å²	68.3	12%	0.123	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-68.2	-13.6	176.1	66.8	-75.2	0	0	0	115	R427 L431 N538	R427-D540 IonicContact CZ-OD1 3.12Å; R427-D540 IonicContact CZ-OD2 3.77Å; R427-D540 IonicContact NE-OD1 3.68Å; R427-D540 IonicContact NE-OD2 3.7Å; R427-D540 PolarHBondContact NE-OD2 2.88Å; R427-D540 VanDerWaalsContact NE-OD2 3.1Å; R427-D540 IonicContact NH2-OD1 3.86Å; R427-D540 PolarHBondContact NH2-OD1 3.21Å; R427-D540 IonicContact NH2-OD2 2.92Å; L431-D540 HydrophobicContact CD1-CB 4.38Å; L431-D540 HydrophobicContact CD2-CB 3.68Å; L431-D540 HydrophobicContact CG-CB 4.12Å; N538-D540 WeakPolarHBondContact CB-OD1 3.3Å; N538-D540 PolarHBondContact O-N 2.93Å
541	Q	83.5	Confident	73.7	Confident	8 Å²	8	67.9 Å²	67.9	4%	0.037	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-117.8	8.1	-178.7	-62.7	-51.6	-51.1	0	0	112.9	S409 T537 N538 F539 Y543	S409-Q541 PolarHBondContact OG-OE1 3.48Å; T537-Q541 HydrophobicContact CG2-CB 4.4Å; T537-Q541 PolarHBondContact OG1-O 3.46Å; N538-Q541 CarbonylContact O-C 3.53Å; N538-Q541 WeakPolarHBondContact O-CA 3.44Å; N538-Q541 PolarHBondContact O-N 3.42Å; F539-Q541 PolarHBondContact O-N 3.05Å; Q541-Y543 PolarHBondContact O-N 3.32Å
542	C	84.8	Confident	74.1	Confident	5 Å²	5	72.8 Å²	72.8	3%	0.034	37%	0.366	C	S	.	.			trans	-57.9	130.4	-173.3	161.8	0	0	0	0	111.8	F524 C528 T537 N538 F539 I544	F524-C542 HydrophobicContact CE1-CB 4.38Å; F524-C542 HydrophobicContact CE2-CB 4.23Å; F524-C542 HydrophobicContact CZ-CB 3.7Å; C528-C542 WeakPolarHBondContact CA-SG 3.37Å; C528-C542 HydrophobicContact CB-CB 3.9Å; C528-C542 WeakPolarHBondContact CB-SG 3.44Å; C528-C542 WeakPolarHBondContact SG-CB 3.43Å; C528-C542 CovalentContact SG-SG 2.01Å; C528-C542 PolarHBondContact SG-SG 3.25Å; T537-C542 WeakPolarHBondContact OG1-CA 3.47Å; T537-C542 PolarHBondContact OG1-N 3.48Å; N538-C542 PolarHBondContact O-N 3.41Å; F539-C542 WeakPolarHBondContact O-CB 3.44Å; F539-C542 PolarHBondContact O-N 3.34Å; C542-I544 VanDerWaalsContact SG-CG2 3.53Å
543	Y	80.2	Confident	74.9	Confident	35 Å²	35	72.7 Å²	72.7	14%	0.137	37%	0.365	C	S	.	.			trans	-104.9	119	178.3	-179.3	-125.9	0	0	0	109	N410 K413 T531 E535 Q541 N545	N410-Y543 WeakPolarHBondContact OD1-CD2 3.15Å; N410-Y543 WeakPolarHBondContact OD1-CE2 3.15Å; K413-Y543 HydrophobicContact CD-CD2 4.29Å; K413-Y543 HydrophobicContact CD-CE1 4.33Å; K413-Y543 HydrophobicContact CD-CE2 3.58Å; T531-Y543 WeakPolarHBondContact CG2-O 3.32Å; E535-Y543 VanDerWaalsContact OE2-CD1 3.31Å; E535-Y543 WeakPolarHBondContact OE2-CD1 3.48Å; Q541-Y543 PolarHBondContact O-N 3.32Å; Y543-N545 HydrophobicContact CD1-CB 4.38Å; Y543-N545 HydrophobicContact CD2-CB 4.26Å; Y543-N545 HydrophobicContact CE1-CB 3.66Å; Y543-N545 HydrophobicContact CE2-CB 3.64Å; Y543-N545 VanDerWaalsContact CE2-ND2 3.31Å; Y543-N545 WeakPolarHBondContact CE2-ND2 3.49Å; Y543-N545 WeakPolarHBondContact CE2-OD1 3.44Å; Y543-N545 WeakPolarHBondContact OH-CB 3.44Å; Y543-N545 PolarHBondContact OH-ND2 2.91Å
544	I	83.6	Confident	76	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	34%	0.337	C	S	.	.			trans	-108.4	17.9	-175.9	69.4	168.2	0	0	0	112.6	I306 A404 F524 F527 C542 I547	I306-I544 HydrophobicContact CD1-CD1 4.12Å; I306-I544 HydrophobicContact CG2-CD1 4.33Å; I306-I544 HydrophobicContact CG2-CG1 4.03Å; I306-I544 WeakPolarHBondContact CG2-O 3.35Å; A404-I544 HydrophobicContact CB-CD1 3.27Å; A404-I544 HydrophobicContact CB-CG1 3.45Å; A404-I544 VanDerWaalsContact CB-CG1 3.45Å; A404-I544 HydrophobicContact CB-CG2 4.35Å; F524-I544 HydrophobicContact CD2-CG2 4.46Å; F524-I544 HydrophobicContact CE2-CG2 4.15Å; F527-I544 HydrophobicContact CB-CB 4.16Å; F527-I544 HydrophobicContact CB-CD1 4.43Å; F527-I544 HydrophobicContact CB-CG2 3.64Å; F527-I544 HydrophobicContact CD2-CD1 3.99Å; F527-I544 HydrophobicContact CG-CD1 4.5Å; C542-I544 VanDerWaalsContact SG-CG2 3.53Å; I544-I547 HydrophobicContact CB-CD1 3.99Å; I544-I547 HydrophobicContact CB-CG1 4.04Å; I544-I547 HydrophobicContact CD1-CD1 4.28Å; I544-I547 HydrophobicContact CG1-CD1 4.43Å; I544-I547 WeakPolarHBondContact O-CG1 3.14Å
545	N	77.5	Confident	77.6	Confident	19 Å²	19	60.5 Å²	60.5	10%	0.102	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	138.3	169.6	-58.4	14.1	0	0	0	107	Y302 Y543	Y302-N545 WeakPolarHBondContact CE2-OD1 3.46Å; Y302-N545 PolarHBondContact OH-OD1 3.17Å; Y543-N545 HydrophobicContact CD1-CB 4.38Å; Y543-N545 HydrophobicContact CD2-CB 4.26Å; Y543-N545 HydrophobicContact CE1-CB 3.66Å; Y543-N545 HydrophobicContact CE2-CB 3.64Å; Y543-N545 VanDerWaalsContact CE2-ND2 3.31Å; Y543-N545 WeakPolarHBondContact CE2-ND2 3.49Å; Y543-N545 WeakPolarHBondContact CE2-OD1 3.44Å; Y543-N545 WeakPolarHBondContact OH-CB 3.44Å; Y543-N545 PolarHBondContact OH-ND2 2.91Å
546	D	69.1	Low	78.9	Confident	128 Å²	128	60.9 Å²	60.9	68%	0.684	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	62	51.7	-174.8	-54.1	-38.3	0	0	0	114.4	G548	D546-G548 PolarHBondContact O-N 3.04Å
547	I	71	Confident	80.2	Confident	1 Å²	1	54.8 Å²	54.8	1%	0.005	29%	0.285	C	S	.	.			trans	-53.9	-15.4	174.1	-51.6	-177.9	0	0	0	112.7	I306 F527 I544 I551	I306-I547 HydrophobicContact CB-CD1 4.16Å; F527-I547 HydrophobicContact CB-CD1 4Å; F527-I547 HydrophobicContact CD1-CD1 3.93Å; F527-I547 HydrophobicContact CG-CD1 3.96Å; I544-I547 HydrophobicContact CB-CD1 3.99Å; I544-I547 HydrophobicContact CB-CG1 4.04Å; I544-I547 HydrophobicContact CD1-CD1 4.28Å; I544-I547 HydrophobicContact CG1-CD1 4.43Å; I544-I547 WeakPolarHBondContact O-CG1 3.14Å; I547-I551 HydrophobicContact CB-CB 4.35Å; I547-I551 HydrophobicContact CD1-CD1 3.86Å; I547-I551 HydrophobicContact CG2-CB 4.41Å; I547-I551 HydrophobicContact CG2-CD1 4.5Å
548	G	66.8	Low	81.1	Confident	48 Å²	48	51.6 Å²	51.6	50%	0.495	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	68.5	-149.8	175.4	0	0	0	0	0	112.5	D546 N550 I551	D546-G548 PolarHBondContact O-N 3.04Å; G548-N550 PolarHBondContact O-N 3.04Å; G548-N550 VanDerWaalsContact O-N 3.11Å; G548-I551 VanDerWaalsContact O-CG2 3.29Å; G548-I551 WeakPolarHBondContact O-CG2 3.39Å; G548-I551 PolarHBondContact O-N 3.46Å
549	E	63	Low	81.5	Confident	183 Å²	183	48.4 Å²	48.4	86%	0.855	25%	0.25	S	C	*	.	G	3₁₀ helix	trans	-59.3	-25.4	-171.6	-66.6	-175.5	162.1	0	0	114.3	I551 E552	E549-I551 VanDerWaalsContact C-N 3.27Å; E549-I551 PolarHBondContact O-N 3.5Å; E549-E552 PolarHBondContact O-N 2.91Å
550	N	70.1	Confident	81.5	Confident	69 Å²	69	46.1 Å²	46.1	37%	0.369	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-76.8	-11.2	-176	-64.4	-15.4	0	0	0	113.8	S530 G548 E552 E553	S530-N550 WeakPolarHBondContact CA-ND2 3.34Å; S530-N550 WeakPolarHBondContact CB-ND2 3.18Å; S530-N550 WeakPolarHBondContact OG-CB 3.35Å; S530-N550 PolarHBondContact OG-ND2 2.86Å; G548-N550 PolarHBondContact O-N 3.04Å; G548-N550 VanDerWaalsContact O-N 3.11Å; N550-E552 PolarHBondContact O-N 3.41Å; N550-E553 PolarHBondContact O-N 3.36Å
551	I	83.2	Confident	81.5	Confident	10 Å²	10	45 Å²	45	5%	0.051	23%	0.234	C	C	.	.	H	α-helix	trans	-63.5	-27.9	171.9	-160.1	58.8	0	0	0	111.1	F308 I547 G548 E549 E553 V554 K555	F308-I551 HydrophobicContact CD2-CD1 4.46Å; F308-I551 HydrophobicContact CE1-CD1 3.96Å; F308-I551 HydrophobicContact CE1-CG1 4.48Å; F308-I551 HydrophobicContact CE2-CD1 3.79Å; F308-I551 HydrophobicContact CZ-CD1 3.5Å; F308-I551 VanDerWaalsContact CZ-CD1 3.5Å; F308-I551 HydrophobicContact CZ-CG1 4.44Å; I547-I551 HydrophobicContact CB-CB 4.35Å; I547-I551 HydrophobicContact CD1-CD1 3.86Å; I547-I551 HydrophobicContact CG2-CB 4.41Å; I547-I551 HydrophobicContact CG2-CD1 4.5Å; G548-I551 VanDerWaalsContact O-CG2 3.29Å; G548-I551 WeakPolarHBondContact O-CG2 3.39Å; G548-I551 PolarHBondContact O-N 3.46Å; E549-I551 VanDerWaalsContact C-N 3.27Å; E549-I551 PolarHBondContact O-N 3.5Å; I551-E553 PolarHBondContact O-N 3.44Å; I551-V554 PolarHBondContact O-N 3.05Å; I551-K555 HydrophobicContact CG2-CD 4.49Å; I551-K555 VanDerWaalsContact O-CG 3.24Å; I551-K555 WeakPolarHBondContact O-CG 3.27Å; I551-K555 PolarHBondContact O-N 3.36Å
552	E	86.4	Confident	81.4	Confident	107 Å²	107	45.1 Å²	45.1	50%	0.5	24%	0.237	S	C	.	.	H	α-helix	trans	-67.9	-32.8	179	-63.8	-53.6	132.9	0	0	112.6	E549 N550 V554 K555 D556	E549-E552 PolarHBondContact O-N 2.91Å; N550-E552 PolarHBondContact O-N 3.41Å; E552-V554 VanDerWaalsContact C-N 3.33Å; E552-V554 PolarHBondContact O-N 3.21Å; E552-K555 PolarHBondContact O-N 2.97Å; E552-K555 WeakPolarHBondContact OE1-CD 3.39Å; E552-K555 IonicContact OE1-NZ 2.88Å; E552-K555 PolarHBondContact OE1-NZ 2.93Å; E552-D556 WeakPolarHBondContact O-CB 3.31Å; E552-D556 PolarHBondContact O-N 3.37Å
553	E	84.2	Confident	81	Confident	128 Å²	128	47.3 Å²	47.3	60%	0.598	25%	0.247	S	C	*	.	H	α-helix	trans	-64.6	-41.2	174.2	-173.2	177.7	-179.7	0	0	110.9	N550 I551 D556 F557	N550-E553 PolarHBondContact O-N 3.36Å; I551-E553 PolarHBondContact O-N 3.44Å; E553-D556 PolarHBondContact O-N 2.82Å; E553-F557 PolarHBondContact O-N 3.5Å
554	V	87.7	Confident	80.5	Confident	8 Å²	8	50.4 Å²	50.4	5%	0.048	26%	0.258	C	S	.	.	H	α-helix	trans	-66.7	-45	176.6	177.6	0	0	0	0	109.7	F308 L526 F527 I551 E552 D556 F557 L558	F308-V554 HydrophobicContact CE1-CG1 4.11Å; F308-V554 HydrophobicContact CZ-CG1 4.03Å; L526-V554 HydrophobicContact CD2-CG2 3.79Å; F527-V554 HydrophobicContact CD1-CG2 4.36Å; F527-V554 HydrophobicContact CE1-CB 4.36Å; F527-V554 HydrophobicContact CE1-CG1 4.06Å; F527-V554 HydrophobicContact CE1-CG2 3.68Å; F527-V554 HydrophobicContact CZ-CG1 4.38Å; I551-V554 PolarHBondContact O-N 3.05Å; E552-V554 VanDerWaalsContact C-N 3.33Å; E552-V554 PolarHBondContact O-N 3.21Å; V554-D556 PolarHBondContact O-N 3.03Å; V554-F557 WeakPolarHBondContact O-CB 3.48Å; V554-F557 PolarHBondContact O-N 3.01Å; V554-L558 HydrophobicContact CG1-CD1 4.3Å; V554-L558 HydrophobicContact CG1-CG 4.34Å; V554-L558 VanDerWaalsContact O-CG 3.27Å; V554-L558 WeakPolarHBondContact O-CG 3.41Å; V554-L558 PolarHBondContact O-N 3.21Å
555	K	90.7	Very high	79.2	Confident	29 Å²	29	51.5 Å²	51.5	13%	0.126	27%	0.265	C	S	.	.	H	α-helix	trans	-59.9	-42.5	176.3	-69.3	171.1	-178.5	174.9	0	112.4	G307 F308 Y375 I551 E552 F557 L558 S559	G307-K555 WeakPolarHBondContact O-CE 3.14Å; G307-K555 PolarHBondContact O-NZ 2.92Å; F308-K555 HydrophobicContact CD1-CG 4.32Å; F308-K555 HydrophobicContact CE1-CG 4.34Å; Y375-K555 HydrophobicContact CD1-CB 4.12Å; Y375-K555 HydrophobicContact CD1-CG 4.37Å; Y375-K555 HydrophobicContact CE1-CB 3.68Å; Y375-K555 HydrophobicContact CE1-CD 3.94Å; Y375-K555 HydrophobicContact CE1-CG 3.53Å; Y375-K555 HydrophobicContact CE2-CG 4.46Å; Y375-K555 WeakPolarHBondContact OH-CE 3.19Å; I551-K555 HydrophobicContact CG2-CD 4.49Å; I551-K555 VanDerWaalsContact O-CG 3.24Å; I551-K555 WeakPolarHBondContact O-CG 3.27Å; I551-K555 PolarHBondContact O-N 3.36Å; E552-K555 PolarHBondContact O-N 2.97Å; E552-K555 WeakPolarHBondContact OE1-CD 3.39Å; E552-K555 IonicContact OE1-NZ 2.88Å; E552-K555 PolarHBondContact OE1-NZ 2.93Å; K555-F557 VanDerWaalsContact C-N 3.35Å; K555-L558 PolarHBondContact O-N 2.86Å; K555-S559 WeakPolarHBondContact O-CB 3.42Å; K555-S559 PolarHBondContact O-N 3.48Å; K555-S559 PolarHBondContact O-OG 2.89Å
556	D	88.3	Confident	77.8	Confident	78 Å²	78	51.5 Å²	51.5	42%	0.417	27%	0.265	S	S	.	.	H	α-helix	trans	-61.1	-44.7	175	178.5	56	0	0	0	111	E552 E553 V554 S559 K560	E552-D556 WeakPolarHBondContact O-CB 3.31Å; E552-D556 PolarHBondContact O-N 3.37Å; E553-D556 PolarHBondContact O-N 2.82Å; V554-D556 PolarHBondContact O-N 3.03Å; D556-S559 WeakPolarHBondContact O-CB 3.37Å; D556-S559 PolarHBondContact O-N 3.15Å; D556-K560 WeakPolarHBondContact O-CG 3.44Å; D556-K560 PolarHBondContact O-N 3.32Å; D556-K560 VanDerWaalsContact O-N 3.16Å; D556-K560 WeakPolarHBondContact OD2-CE 3.4Å; D556-K560 IonicContact OD2-NZ 2.68Å; D556-K560 PolarHBondContact OD2-NZ 2.92Å
557	F	86.7	Confident	76.5	Confident	20 Å²	20	47.7 Å²	47.7	9%	0.088	24%	0.243	C	C	.	.	H	α-helix	trans	-58.3	-50.5	173.8	169.1	-94.6	0	0	0	112.4	Y372 A389 M393 E553 V554 K555 S559 K560 A561 W564 F567	Y372-F557 HydrophobicContact CE2-CE1 4.44Å; Y372-F557 VanDerWaalsContact OH-CE1 3.31Å; Y372-F557 WeakPolarHBondContact OH-CE1 3.48Å; A389-F557 HydrophobicContact CB-CZ 4.35Å; M393-F557 HydrophobicContact CE-CE1 3.59Å; M393-F557 HydrophobicContact CE-CZ 3.63Å; M393-F557 HydrophobicContact CG-CZ 4.49Å; E553-F557 PolarHBondContact O-N 3.5Å; V554-F557 WeakPolarHBondContact O-CB 3.48Å; V554-F557 PolarHBondContact O-N 3.01Å; K555-F557 VanDerWaalsContact C-N 3.35Å; F557-S559 PolarHBondContact O-N 3.08Å; F557-K560 PolarHBondContact O-N 2.92Å; F557-K560 VanDerWaalsContact O-N 3.11Å; F557-A561 PolarHBondContact O-N 3.04Å; F557-W564 AromaticContact CD2-CE3 3.51Å; F557-W564 HydrophobicContact CD2-CE3 3.51Å; F557-W564 AromaticContact CD2-CZ3 3.63Å; F557-W564 HydrophobicContact CD2-CZ3 3.63Å; F557-W564 AromaticContact CE2-CE3 3.62Å; F557-W564 HydrophobicContact CE2-CE3 3.62Å; F557-W564 AromaticContact CE2-CZ3 3.96Å; F557-W564 HydrophobicContact CE2-CZ3 3.96Å; F557-F567 AromaticContact CE2-CD2 3.89Å; F557-F567 HydrophobicContact CE2-CD2 3.89Å; F557-F567 AromaticContact CZ-CD2 3.98Å; F557-F567 HydrophobicContact CZ-CD2 3.98Å
558	L	90.8	Very high	74.9	Confident	4 Å²	4	49.5 Å²	49.5	2%	0.021	26%	0.262	C	S	.	.	H	α-helix	trans	-58.5	-35.1	178.4	-62.9	177.1	0	0	0	111.2	F308 Y372 Y375 L397 V554 K555	F308-L558 HydrophobicContact CD1-CD1 4.29Å; F308-L558 HydrophobicContact CE1-CD1 3.72Å; Y372-L558 HydrophobicContact CD1-CB 4.05Å; Y372-L558 HydrophobicContact CD1-CD2 3.76Å; Y372-L558 HydrophobicContact CD1-CG 4.46Å; Y372-L558 HydrophobicContact CD2-CD2 3.46Å; Y372-L558 VanDerWaalsContact CD2-CD2 3.46Å; Y372-L558 HydrophobicContact CE1-CB 4.06Å; Y372-L558 HydrophobicContact CE1-CD2 3.76Å; Y372-L558 VanDerWaalsContact CE1-O 3.26Å; Y372-L558 WeakPolarHBondContact CE1-O 2.99Å; Y372-L558 HydrophobicContact CE2-CD2 3.45Å; Y372-L558 VanDerWaalsContact CE2-CD2 3.45Å; Y372-L558 HydrophobicContact CG-CD2 3.61Å; Y375-L558 HydrophobicContact CD2-CB 4.32Å; Y375-L558 HydrophobicContact CD2-CD1 3.85Å; Y375-L558 HydrophobicContact CE2-CD1 4.29Å; Y375-L558 HydrophobicContact CG-CB 4.1Å; Y375-L558 HydrophobicContact CG-CD1 4.4Å; L397-L558 HydrophobicContact CD2-CD1 3.76Å; L397-L558 HydrophobicContact CD2-CD2 4.2Å; V554-L558 HydrophobicContact CG1-CD1 4.3Å; V554-L558 HydrophobicContact CG1-CG 4.34Å; V554-L558 VanDerWaalsContact O-CG 3.27Å; V554-L558 WeakPolarHBondContact O-CG 3.41Å; V554-L558 PolarHBondContact O-N 3.21Å; K555-L558 PolarHBondContact O-N 2.86Å
559	S	90.8	Very high	73.5	Confident	20 Å²	20	48.9 Å²	48.9	14%	0.14	25%	0.247	C	C	.	.	H	α-helix	trans	-71.1	-28.4	-179.8	-55.1	0	0	0	0	112.9	K379 N381 K555 D556 F557	K379-S559 WeakPolarHBondContact CD-O 3.12Å; N381-S559 PolarHBondContact ND2-O 2.87Å; K555-S559 WeakPolarHBondContact O-CB 3.42Å; K555-S559 PolarHBondContact O-N 3.48Å; K555-S559 PolarHBondContact O-OG 2.89Å; D556-S559 WeakPolarHBondContact O-CB 3.37Å; D556-S559 PolarHBondContact O-N 3.15Å; F557-S559 PolarHBondContact O-N 3.08Å
560	K	87.3	Confident	72	Confident	45 Å²	45	49.6 Å²	49.6	20%	0.196	25%	0.247	C	C	.	.	H	α-helix	trans	-73.8	-39.2	176.2	-67.2	171.9	-169.7	160.4	0	112.6	D556 F557 G562 E563 W564	D556-K560 WeakPolarHBondContact O-CG 3.44Å; D556-K560 PolarHBondContact O-N 3.32Å; D556-K560 VanDerWaalsContact O-N 3.16Å; D556-K560 WeakPolarHBondContact OD2-CE 3.4Å; D556-K560 IonicContact OD2-NZ 2.68Å; D556-K560 PolarHBondContact OD2-NZ 2.92Å; F557-K560 PolarHBondContact O-N 2.92Å; F557-K560 VanDerWaalsContact O-N 3.11Å; K560-G562 PolarHBondContact O-N 2.68Å; K560-E563 WeakPolarHBondContact O-CB 3.47Å; K560-E563 PolarHBondContact O-N 3.4Å; K560-W564 HydrophobicContact CB-CB 3.92Å; K560-W564 HydrophobicContact CB-CG 3.99Å; K560-W564 HydrophobicContact CD-CD2 3.96Å; K560-W564 HydrophobicContact CD-CG 3.88Å
561	A	86.5	Confident	70.1	Confident	1 Å²	1	59.2 Å²	59.2	1%	0.008	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	50.8	-130.8	170.7	0	0	0	0	0	112.8	Y372 Y376 D387 F557 E563 W564	Y372-A561 HydrophobicContact CE1-CB 4.3Å; Y376-A561 HydrophobicContact CD1-CB 3.48Å; Y376-A561 VanDerWaalsContact CD1-CB 3.48Å; Y376-A561 HydrophobicContact CE1-CB 4.41Å; Y376-A561 HydrophobicContact CG-CB 3.66Å; D387-A561 CarbonylContact O-C 3.5Å; D387-A561 VanDerWaalsContact O-CB 3.24Å; D387-A561 WeakPolarHBondContact O-CB 3.36Å; F557-A561 PolarHBondContact O-N 3.04Å; A561-E563 PolarHBondContact O-N 3.31Å; A561-E563 VanDerWaalsContact O-N 3.09Å; A561-W564 PolarHBondContact O-N 2.66Å
562	G	79.8	Confident	69.5	Low	9 Å²	9	61.7 Å²	61.7	9%	0.093	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-66.3	-4.9	-179	0	0	0	0	0	116	N96 F385 D387 K560 W564	N96-G562 PolarHBondContact ND2-O 3.18Å; N96-G562 VanDerWaalsContact ND2-O 3.16Å; F385-G562 WeakPolarHBondContact CD1-O 3.49Å; F385-G562 PolarHBondContact O-N 3.3Å; D387-G562 PolarHBondContact O-N 2.8Å; K560-G562 PolarHBondContact O-N 2.68Å; G562-W564 VanDerWaalsContact C-N 3.28Å
563	E	77.4	Confident	68.6	Low	52 Å²	52	59.3 Å²	59.3	24%	0.243	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-70.9	-29.9	166.6	-166	-173.6	174.8	0	0	110.9	K379 F385 K560 A561	K379-E563 IonicContact NZ-OE2 2.66Å; K379-E563 PolarHBondContact NZ-OE2 2.62Å; F385-E563 HydrophobicContact CG-CB 4.45Å; K560-E563 WeakPolarHBondContact O-CB 3.47Å; K560-E563 PolarHBondContact O-N 3.4Å; A561-E563 PolarHBondContact O-N 3.31Å; A561-E563 VanDerWaalsContact O-N 3.09Å
564	W	69.9	Low	67.7	Low	100 Å²	100	55.4 Å²	55.4	38%	0.379	27%	0.269	S	S	.	.			trans	-101.4	116.3	-176.9	-117.4	44.8	0	0	0	111	A389 F557 K560 A561 G562 T566	A389-W564 VanDerWaalsContact CB-O 3.3Å; A389-W564 WeakPolarHBondContact CB-O 3.34Å; F557-W564 AromaticContact CD2-CE3 3.51Å; F557-W564 HydrophobicContact CD2-CE3 3.51Å; F557-W564 AromaticContact CD2-CZ3 3.63Å; F557-W564 HydrophobicContact CD2-CZ3 3.63Å; F557-W564 AromaticContact CE2-CE3 3.62Å; F557-W564 HydrophobicContact CE2-CE3 3.62Å; F557-W564 AromaticContact CE2-CZ3 3.96Å; F557-W564 HydrophobicContact CE2-CZ3 3.96Å; K560-W564 HydrophobicContact CB-CB 3.92Å; K560-W564 HydrophobicContact CB-CG 3.99Å; K560-W564 HydrophobicContact CD-CD2 3.96Å; K560-W564 HydrophobicContact CD-CG 3.88Å; A561-W564 PolarHBondContact O-N 2.66Å; G562-W564 VanDerWaalsContact C-N 3.28Å; W564-T566 VanDerWaalsContact C-N 3.34Å; W564-T566 WeakPolarHBondContact CZ3-O 3.29Å
565	T	57	Low	66.5	Low	23 Å²	23	58.2 Å²	58.2	14%	0.141	28%	0.282	C	S	.	.			trans	-95.7	14.3	174.8	56.1	0	0	0	0	113	R209 S210 D211	R209-T565 WeakPolarHBondContact O-CB 3.22Å; S210-T565 VanDerWaalsContact CA-O 3.22Å; S210-T565 WeakPolarHBondContact CA-O 2.86Å; S210-T565 WeakPolarHBondContact CB-O 3.49Å; S210-T565 PolarHBondContact OG-O 2.85Å; D211-T565 WeakPolarHBondContact CB-OG1 3.24Å; D211-T565 PolarHBondContact N-OG1 2.78Å; D211-T565 WeakPolarHBondContact OD2-CB 3.42Å; D211-T565 VanDerWaalsContact OD2-CG2 3.23Å; D211-T565 WeakPolarHBondContact OD2-CG2 3.23Å; D211-T565 PolarHBondContact OD2-OG1 2.73Å
566	T	46.2	Very low	65	Low	19 Å²	19	60.1 Å²	60.1	12%	0.117	29%	0.292	C	S	.	.			trans	-128.1	113.7	-173.2	40.2	0	0	0	0	111	S210 V212 F213 W564	S210-T566 WeakPolarHBondContact OG-CG2 3.25Å; V212-T566 HydrophobicContact CB-CG2 3.4Å; V212-T566 HydrophobicContact CG1-CG2 4.49Å; V212-T566 HydrophobicContact CG2-CG2 3.45Å; V212-T566 VanDerWaalsContact CG2-CG2 3.45Å; F213-T566 HydrophobicContact CD2-CG2 4.35Å; F213-T566 HydrophobicContact CE2-CG2 4.48Å; W564-T566 VanDerWaalsContact C-N 3.34Å; W564-T566 WeakPolarHBondContact CZ3-O 3.29Å
567	F	43.5	Very low	63.5	Low	48 Å²	48	58.9 Å²	58.9	21%	0.211	28%	0.284	C	S	.	.			trans	-111.9	107.4	147.6	-169.5	-101.3	0	0	0	105.8	M393 V519 L523 F557 L569	M393-F567 HydrophobicContact CE-CD2 4.27Å; M393-F567 HydrophobicContact CE-CG 4.47Å; M393-F567 HydrophobicContact SD-CB 4.31Å; M393-F567 HydrophobicContact SD-CG 4.27Å; V519-F567 HydrophobicContact CG1-CD1 4.23Å; V519-F567 HydrophobicContact CG1-CE1 3.88Å; V519-F567 HydrophobicContact CG1-CZ 4.28Å; V519-F567 HydrophobicContact CG2-CD1 4.44Å; L523-F567 HydrophobicContact CD2-CE2 4.37Å; L523-F567 HydrophobicContact CD2-CZ 4.29Å; F557-F567 AromaticContact CE2-CD2 3.89Å; F557-F567 HydrophobicContact CE2-CD2 3.89Å; F557-F567 AromaticContact CZ-CD2 3.98Å; F557-F567 HydrophobicContact CZ-CD2 3.98Å; F567-L569 VanDerWaalsContact C-N 3.34Å; F567-L569 HydrophobicContact CD1-CD2 4.24Å; F567-L569 HydrophobicContact CE1-CD2 4.36Å; F567-L569 PolarHBondContact O-N 2.96Å
568	G	36.2	Very low	61.8	Low	39 Å²	39	61.6 Å²	61.6	40%	0.402	30%	0.298	S	S	.	.			trans	-70.5	97.7	168.6	0	0	0	0	0	107.8	K570	G568-K570 VanDerWaalsContact C-N 3.34Å; G568-K570 PolarHBondContact O-N 2.9Å
569	L	38.3	Very low	59.6	Low	35 Å²	35	66.1 Å²	66.1	18%	0.183	32%	0.319	C	S	.	.			trans	-51	109.6	152.1	-56.6	163.8	0	0	0	104.3	W221 V519 Q522 F567 K571	W221-L569 HydrophobicContact CD2-CD1 4.5Å; W221-L569 HydrophobicContact CZ2-CD1 4.13Å; V519-L569 HydrophobicContact CG2-CD2 3.9Å; Q522-L569 VanDerWaalsContact CD-CD2 3.5Å; Q522-L569 VanDerWaalsContact OE1-CD2 3.28Å; F567-L569 VanDerWaalsContact C-N 3.34Å; F567-L569 HydrophobicContact CD1-CD2 4.24Å; F567-L569 HydrophobicContact CE1-CD2 4.36Å; F567-L569 PolarHBondContact O-N 2.96Å; L569-K571 PolarHBondContact O-N 2.96Å; L569-K571 VanDerWaalsContact O-N 3.12Å
570	K	31.9	Very low	57	Low	197 Å²	197	69.9 Å²	69.9	86%	0.857	33%	0.334	S	S	*	.			trans	-52.4	128.9	170	-91.4	-177.4	178.2	171.9	0	106.1	G568	G568-K570 VanDerWaalsContact C-N 3.34Å; G568-K570 PolarHBondContact O-N 2.9Å
571	K	30	Very low	54.2	Low	271 Å²	271	72.2 Å²	72.2	100%	1.178	35%	0.346	S	S	*	.			trans	-41.8	0	-173.8	-121.7	-176.5	-178.2	-178.7	0	113.4	L569	L569-K571 PolarHBondContact O-N 2.96Å; L569-K571 VanDerWaalsContact O-N 3.12Å

Retrieved 571 of 571 residues in 1064.9 ms (Link to these results)

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